A0A077ZL44_TRITR Loading...

RVT 1 and Peptidase A17 and DUF1759 and DUF1758 d omain containing protein

AlphaFold DB , UniProt , Accession A0A077ZL44, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 945 aa.

						>A0A077ZL44_TRITR|A0A077ZL44
MTKLEALKRTRNDGKQFEVCAALTQMEAYWAKLQEVQGAIESYVEDEGALEKEVENAMAFETTVVDLRAKGQRYLHGSPKTTATPELSAAGPNLPKWNLPKFSGDVLEFNSFWDQFEAEAVDGFHVTNANYPVVVETLRERFGRESLVVESHILSLLKLTKEEEAHGSSTLRELFDKMNRHVRALEAIRKSVENKLTAENILLVLFKQLLPPAVRKKWEQKTLTAVDRENITLKTLFDLLRTEVDIEECTKHPAFVSKTRTQRTQKNSNMKRNDGQYSAVALQASRNRNGSCLVYSGTHTVHTCPTFLSMSLTRRLQVSRKNRLCFVCLELGHLASACKSQDRCSIKDCHKSHHRLLHGEADCSRAQVGLLRNHRMEKVFLQTARARISGGNGSSLVITCLFDARAQCSFIWTALADDLGLRGTTERVAIHTFGSHVCRMEKTRRVRFSLQPLGRQGTRQWMEALCLPHLCQPLEANPPISSSWSHLQDLTLADQFPRGKTIVDVLIGLDYYHAFMSGFTKNGSPKEPVAVQSSFGWILSGPAGSQEKGVQNVFQVTLSDSADELLKRIWSLDAIGLRDEEVEKPSQVMKRFQDSVSFDGQRYTVRLPWKSEGRLPNNYRLALRRLELLENRLTKDARLARLYADGMRSYVDNGFVERVEQYAATSGRHWYLPHHPVIKNESSTTKCRIVFDGSALYQGVSLNQFLEIGPPLQRDLVGILLRFRRFRYGIHGDIEKMFLQIALHEDDRDAVRFLWREKGAGTEPTVFRFTRLCFGLSCSPFLAIAVTQLHAQRNSEKYKQGASEVLKNMYVDDLVMSCSSKEEAARASSETAELLLRGGFKLTKWVSNMKEFNSCIHNSAPTGRETVKTLGLQWYTSTDQLALNHVSWKLESIATKRIVLKTLSEVFDPLGLIAPFLVEAKMLLQLMWKMGKDWDEPLTQPLFGK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.6	Low	61.2	Low	84 Å²	84	104.4 Å²	104.4	41%	0.414	49%	0.486	S	S	.	.				0	-80.1	0	-58.1	-55.2	-59.7	0	0	111.6	K3 L4 E5 T63 L67	M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.48Å; M1-L4 PolarHBondContact O-N 2.71Å; M1-E5 PolarHBondContact O-N 3.47Å; M1-T63 HydrophobicContact CE-CG2 3.08Å; M1-T63 HydrophobicContact SD-CG2 3.91Å; M1-L67 HydrophobicContact CE-CD1 3.32Å; M1-L67 HydrophobicContact CE-CD2 4.48Å; M1-L67 HydrophobicContact CE-CG 3.7Å; M1-L67 HydrophobicContact CG-CD1 4.42Å; M1-L67 HydrophobicContact SD-CD1 3.13Å; M1-L67 WeakPolarHBondContact SD-CD1 3.31Å; M1-L67 HydrophobicContact SD-CG 4Å
2	T	71.2	Confident	60.2	Low	114 Å²	114	105.3 Å²	105.3	70%	0.699	50%	0.497	S	S	*	.	H	α-helix	trans	-54.1	-40.5	-174.1	-33.8	0	0	0	0	114.5	L4 E5 A6	T2-L4 PolarHBondContact O-N 3.24Å; T2-E5 PolarHBondContact O-N 2.86Å; T2-A6 WeakPolarHBondContact O-CB 3.41Å; T2-A6 PolarHBondContact O-N 3.16Å
3	K	68.4	Low	59.9	Low	139 Å²	139	108.5 Å²	108.5	60%	0.604	52%	0.519	S	S	*	.	H	α-helix	trans	-64.1	-39.4	177.9	-161.1	175.5	-177.4	-178.7	0	112.4	M1 A6 L7	M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.48Å; K3-A6 PolarHBondContact O-N 3.3Å; K3-L7 WeakPolarHBondContact O-CD1 3.41Å; K3-L7 WeakPolarHBondContact O-CG 3.27Å; K3-L7 PolarHBondContact O-N 3.27Å
4	L	65.5	Low	59.7	Low	9 Å²	9	105.9 Å²	105.9	5%	0.047	53%	0.534	C	S	.	.	H	α-helix	trans	-73.5	-30.4	-179.9	-131.9	132.4	0	0	0	111.7	M1 T2 A22 L23 M26 L67	M1-L4 PolarHBondContact O-N 2.71Å; T2-L4 PolarHBondContact O-N 3.24Å; L4-A22 HydrophobicContact CD1-CB 3.71Å; L4-A22 HydrophobicContact CG-CB 4.26Å; L4-L23 HydrophobicContact CD1-CD2 4.18Å; L4-L23 HydrophobicContact CD1-CG 4.39Å; L4-M26 HydrophobicContact CD1-SD 4.45Å; L4-L67 HydrophobicContact CB-CD1 4.29Å; L4-L67 HydrophobicContact CD2-CD2 4.38Å
5	E	64	Low	60.1	Low	101 Å²	101	102.7 Å²	102.7	47%	0.472	52%	0.516	S	S	.	.	H	α-helix	trans	-75	-36.8	171.5	-69.3	-179.3	149.6	0	0	112.8	M1 T2 K8	M1-E5 PolarHBondContact O-N 3.47Å; T2-E5 PolarHBondContact O-N 2.86Å; E5-K8 WeakPolarHBondContact O-CB 3.46Å; E5-K8 PolarHBondContact O-N 3.43Å
6	A	67.1	Low	60.5	Low	57 Å²	57	103 Å²	103	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-40.7	174	0	0	0	0	0	111.6	T2 K3 K8 R9	T2-A6 WeakPolarHBondContact O-CB 3.41Å; T2-A6 PolarHBondContact O-N 3.16Å; K3-A6 PolarHBondContact O-N 3.3Å; A6-K8 PolarHBondContact O-N 3.13Å; A6-R9 PolarHBondContact O-N 3.08Å; A6-R9 VanDerWaalsContact O-N 3.07Å
7	L	62.7	Low	61.2	Low	10 Å²	10	107.1 Å²	107.1	5%	0.052	53%	0.529	C	S	.	.	H	α-helix	trans	-61.9	-25.7	176.6	-71.7	167.7	0	0	0	113.3	K3 T10 K15 E18 V19 A22	K3-L7 WeakPolarHBondContact O-CD1 3.41Å; K3-L7 WeakPolarHBondContact O-CG 3.27Å; K3-L7 PolarHBondContact O-N 3.27Å; L7-T10 PolarHBondContact O-OG1 3.29Å; L7-T10 VanDerWaalsContact O-OG1 3.05Å; L7-K15 HydrophobicContact CD2-CD 3.81Å; L7-E18 HydrophobicContact CD1-CB 4.2Å; L7-E18 HydrophobicContact CD2-CB 3.83Å; L7-E18 WeakPolarHBondContact CD2-OE2 3.2Å; L7-V19 HydrophobicContact CB-CG2 4.25Å; L7-V19 HydrophobicContact CD1-CG2 4.2Å; L7-A22 HydrophobicContact CD1-CB 4.17Å
8	K	56.1	Low	62	Low	96 Å²	96	105.7 Å²	105.7	42%	0.417	52%	0.521	S	S	.	.	H	α-helix	trans	-74.6	-25.5	174.1	-76.1	180	171.8	-175.5	0	114.4	E5 A6 T10 K70	E5-K8 WeakPolarHBondContact O-CB 3.46Å; E5-K8 PolarHBondContact O-N 3.43Å; A6-K8 PolarHBondContact O-N 3.13Å; K8-T10 VanDerWaalsContact C-N 3.3Å; K8-K70 VanDerWaalsContact NZ-CD 3.35Å
9	R	54.7	Low	62.7	Low	230 Å²	230	100.5 Å²	100.5	87%	0.868	50%	0.496	S	S	*	.	H	α-helix	trans	-78.5	-18.7	-178.4	-68.4	-176.5	-179.8	179.2	0.5	112.3	A6	A6-R9 PolarHBondContact O-N 3.08Å; A6-R9 VanDerWaalsContact O-N 3.07Å
10	T	52.7	Low	63.4	Low	58 Å²	58	98.3 Å²	98.3	36%	0.356	49%	0.49	S	S	.	.			trans	-92.4	101.8	174.9	41.7	0	0	0	0	110.2	L7 K8 N12	L7-T10 PolarHBondContact O-OG1 3.29Å; L7-T10 VanDerWaalsContact O-OG1 3.05Å; K8-T10 VanDerWaalsContact C-N 3.3Å; T10-N12 PolarHBondContact O-N 3Å
11	R	48.9	Very low	64.1	Low	250 Å²	250	95.9 Å²	95.9	94%	0.943	49%	0.486	S	S	*	.			trans	-72.9	58.8	175.7	-165.4	-175.4	178.8	-174.5	-0.6	111.1
12	N	50	Low	65.1	Low	115 Å²	115	92.3 Å²	92.3	62%	0.615	47%	0.47	S	S	*	.			trans	-127.6	115.3	-178.7	-122.7	-1	0	0	0	110.3	T10 G14 K15 Y74	T10-N12 PolarHBondContact O-N 3Å; N12-G14 PolarHBondContact O-N 3.46Å; N12-K15 PolarHBondContact O-N 3.17Å; N12-Y74 PolarHBondContact O-OH 2.84Å
13	D	55.6	Low	65.5	Low	148 Å²	148	87.6 Å²	87.6	79%	0.791	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-6.8	-175.3	-67	-30.8	0	0	0	114
14	G	57	Low	66.1	Low	71 Å²	71	85.5 Å²	85.5	73%	0.732	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-1.7	-179.2	0	0	0	0	0	117	N12	N12-G14 PolarHBondContact O-N 3.46Å
15	K	65.5	Low	67	Low	58 Å²	58	89.1 Å²	89.1	25%	0.252	46%	0.456	S	S	.	.			trans	-97.9	15.5	-173.6	-70.4	-165.3	166.6	-134.9	0	116	L7 N12 F17 E18 V19	L7-K15 HydrophobicContact CD2-CD 3.81Å; N12-K15 PolarHBondContact O-N 3.17Å; K15-F17 PolarHBondContact O-N 2.98Å; K15-E18 HydrophobicContact CB-CB 4.42Å; K15-E18 WeakPolarHBondContact CD-OE2 3.47Å; K15-E18 WeakPolarHBondContact CE-OE1 3.41Å; K15-E18 WeakPolarHBondContact CE-OE2 3.23Å; K15-E18 IonicContact NZ-OE1 3.41Å; K15-E18 PolarHBondContact NZ-OE1 2.77Å; K15-E18 IonicContact NZ-OE2 3.12Å; K15-E18 PolarHBondContact NZ-OE2 3.1Å; K15-E18 PolarHBondContact O-N 3.32Å; K15-V19 PolarHBondContact O-N 3.46Å
16	Q	67.5	Low	67.9	Low	108 Å²	108	85.2 Å²	85.2	51%	0.505	44%	0.438	S	S	.	.	H	α-helix	trans	-56.5	-38.1	179.6	-67.1	-179.5	-11.6	0	0	112.7	V19 C20 Y74 L75	Q16-V19 PolarHBondContact O-N 2.85Å; Q16-C20 PolarHBondContact O-N 2.93Å; Q16-Y74 HydrophobicContact CG-CE1 4.34Å; Q16-L75 HydrophobicContact CB-CD2 4.23Å
17	F	72.6	Confident	68.5	Low	172 Å²	172	86.8 Å²	86.8	75%	0.754	44%	0.435	S	S	*	.	H	α-helix	trans	-64.1	-41	175.7	-169.8	-93.9	0	0	0	112.6	K15 V19 C20 A21	K15-F17 PolarHBondContact O-N 2.98Å; F17-V19 VanDerWaalsContact C-N 3.34Å; F17-V19 PolarHBondContact O-N 2.92Å; F17-C20 PolarHBondContact O-N 3.22Å; F17-A21 WeakPolarHBondContact O-CB 3.42Å; F17-A21 PolarHBondContact O-N 3.32Å
18	E	75.6	Confident	69.3	Low	83 Å²	83	89.3 Å²	89.3	39%	0.388	46%	0.457	S	S	.	.	H	α-helix	trans	-66.2	-36.7	177.1	-66.9	179.4	-148.4	0	0	111.7	L7 K15 A22	L7-E18 HydrophobicContact CD1-CB 4.2Å; L7-E18 HydrophobicContact CD2-CB 3.83Å; L7-E18 WeakPolarHBondContact CD2-OE2 3.2Å; K15-E18 HydrophobicContact CB-CB 4.42Å; K15-E18 WeakPolarHBondContact CD-OE2 3.47Å; K15-E18 WeakPolarHBondContact CE-OE1 3.41Å; K15-E18 WeakPolarHBondContact CE-OE2 3.23Å; K15-E18 IonicContact NZ-OE1 3.41Å; K15-E18 PolarHBondContact NZ-OE1 2.77Å; K15-E18 IonicContact NZ-OE2 3.12Å; K15-E18 PolarHBondContact NZ-OE2 3.1Å; K15-E18 PolarHBondContact O-N 3.32Å; E18-A22 VanDerWaalsContact O-CB 3.24Å; E18-A22 WeakPolarHBondContact O-CB 3.47Å; E18-A22 PolarHBondContact O-N 3.42Å
19	V	74.7	Confident	70.5	Confident	6 Å²	6	91.8 Å²	91.8	4%	0.036	47%	0.465	C	S	.	.	H	α-helix	trans	-70.3	-42.8	175.5	175.5	0	0	0	0	111.4	L7 K15 Q16 F17 A22 L23 Y74 L75	L7-V19 HydrophobicContact CB-CG2 4.25Å; L7-V19 HydrophobicContact CD1-CG2 4.2Å; K15-V19 PolarHBondContact O-N 3.46Å; Q16-V19 PolarHBondContact O-N 2.85Å; F17-V19 VanDerWaalsContact C-N 3.34Å; F17-V19 PolarHBondContact O-N 2.92Å; V19-A22 PolarHBondContact O-N 3.43Å; V19-L23 HydrophobicContact CG1-CD1 4.15Å; V19-L23 WeakPolarHBondContact O-CB 3.44Å; V19-L23 WeakPolarHBondContact O-CG 3.24Å; V19-L23 PolarHBondContact O-N 2.92Å; V19-Y74 HydrophobicContact CB-CD1 4.06Å; V19-Y74 HydrophobicContact CB-CE1 4.21Å; V19-Y74 HydrophobicContact CG1-CD1 3.95Å; V19-Y74 HydrophobicContact CG2-CD1 3.75Å; V19-Y74 HydrophobicContact CG2-CE1 3.62Å; V19-L75 HydrophobicContact CB-CD2 4.4Å; V19-L75 HydrophobicContact CG1-CD1 4.49Å; V19-L75 HydrophobicContact CG1-CD2 4.27Å; V19-L75 HydrophobicContact CG1-CG 4.16Å
20	C	75.9	Confident	71.9	Confident	56 Å²	56	83 Å²	83	38%	0.378	43%	0.432	S	S	.	.	H	α-helix	trans	-58.4	-49.9	171.9	-82.2	0	0	0	0	111.6	Q16 F17 A22 L23 T24 L75	Q16-C20 PolarHBondContact O-N 2.93Å; F17-C20 PolarHBondContact O-N 3.22Å; C20-A22 VanDerWaalsContact C-N 3.31Å; C20-A22 PolarHBondContact O-N 3.02Å; C20-L23 PolarHBondContact O-N 2.77Å; C20-T24 PolarHBondContact O-N 3.02Å; C20-T24 PolarHBondContact O-OG1 3.11Å; C20-T24 VanDerWaalsContact O-OG1 3.05Å; C20-L75 VanDerWaalsContact SG-CD2 3.53Å
21	A	79.1	Confident	73.1	Confident	49 Å²	49	82.4 Å²	82.4	41%	0.405	43%	0.433	S	S	.	.	H	α-helix	trans	-60.5	-40.5	178.2	0	0	0	0	0	112.1	F17 T24 Q25	F17-A21 WeakPolarHBondContact O-CB 3.42Å; F17-A21 PolarHBondContact O-N 3.32Å; A21-T24 PolarHBondContact O-N 2.82Å; A21-Q25 WeakPolarHBondContact O-CB 3.47Å; A21-Q25 PolarHBondContact O-N 2.78Å
22	A	81.3	Confident	74.6	Confident	9 Å²	9	77 Å²	77	7%	0.074	42%	0.417	C	S	.	.	H	α-helix	trans	-68.2	-36.2	177.4	0	0	0	0	0	112.8	L4 L7 E18 V19 C20 M26	L4-A22 HydrophobicContact CD1-CB 3.71Å; L4-A22 HydrophobicContact CG-CB 4.26Å; L7-A22 HydrophobicContact CD1-CB 4.17Å; E18-A22 VanDerWaalsContact O-CB 3.24Å; E18-A22 WeakPolarHBondContact O-CB 3.47Å; E18-A22 PolarHBondContact O-N 3.42Å; V19-A22 PolarHBondContact O-N 3.43Å; C20-A22 VanDerWaalsContact C-N 3.31Å; C20-A22 PolarHBondContact O-N 3.02Å; A22-M26 VanDerWaalsContact O-CB 3.29Å; A22-M26 WeakPolarHBondContact O-CB 3.39Å; A22-M26 PolarHBondContact O-N 2.87Å
23	L	81.1	Confident	76.1	Confident	15 Å²	15	74.4 Å²	74.4	8%	0.079	40%	0.402	C	S	.	.	H	α-helix	trans	-67.1	-45	173.4	-75.3	170.7	0	0	0	111.6	L4 V19 C20 Q25 M26 E27 L75	L4-L23 HydrophobicContact CD1-CD2 4.18Å; L4-L23 HydrophobicContact CD1-CG 4.39Å; V19-L23 HydrophobicContact CG1-CD1 4.15Å; V19-L23 WeakPolarHBondContact O-CB 3.44Å; V19-L23 WeakPolarHBondContact O-CG 3.24Å; V19-L23 PolarHBondContact O-N 2.92Å; C20-L23 PolarHBondContact O-N 2.77Å; L23-Q25 VanDerWaalsContact C-N 3.34Å; L23-Q25 PolarHBondContact O-N 2.77Å; L23-M26 HydrophobicContact CD2-CE 3.87Å; L23-M26 WeakPolarHBondContact O-CB 3.46Å; L23-M26 PolarHBondContact O-N 2.81Å; L23-E27 PolarHBondContact O-N 2.88Å; L23-L75 HydrophobicContact CD1-CD1 3.59Å
24	T	80.8	Confident	77.2	Confident	95 Å²	95	71.7 Å²	71.7	58%	0.583	39%	0.385	S	S	*	.	H	α-helix	trans	-60.3	-43.9	175.8	-56.3	0	0	0	0	111.6	C20 A21 M26 E27 A28	C20-T24 PolarHBondContact O-N 3.02Å; C20-T24 PolarHBondContact O-OG1 3.11Å; C20-T24 VanDerWaalsContact O-OG1 3.05Å; A21-T24 PolarHBondContact O-N 2.82Å; T24-M26 VanDerWaalsContact C-N 3.34Å; T24-M26 PolarHBondContact O-N 3.15Å; T24-E27 PolarHBondContact O-N 3.4Å; T24-A28 PolarHBondContact O-N 2.83Å
25	Q	83.4	Confident	78.3	Confident	85 Å²	85	75.3 Å²	75.3	40%	0.397	38%	0.382	S	S	.	.	H	α-helix	trans	-65.9	-37.7	177.2	-165.2	179.4	9.4	0	0	111.8	A21 L23 A28 Y29	A21-Q25 WeakPolarHBondContact O-CB 3.47Å; A21-Q25 PolarHBondContact O-N 2.78Å; L23-Q25 VanDerWaalsContact C-N 3.34Å; L23-Q25 PolarHBondContact O-N 2.77Å; Q25-A28 PolarHBondContact O-N 2.9Å; Q25-Y29 HydrophobicContact CG-CD2 4Å; Q25-Y29 HydrophobicContact CG-CE2 3.54Å; Q25-Y29 PolarHBondContact NE2-OH 3.16Å; Q25-Y29 WeakPolarHBondContact O-CD2 3.36Å; Q25-Y29 PolarHBondContact O-N 2.8Å
26	M	83.6	Confident	79.1	Confident	19 Å²	19	76 Å²	76	9%	0.094	39%	0.392	C	S	.	.	H	α-helix	trans	-64	-41.8	174.3	-173.5	-177.6	77.8	0	0	111.8	L4 A22 L23 T24 A28 Y29 W30 V64 L67 R68	L4-M26 HydrophobicContact CD1-SD 4.45Å; A22-M26 VanDerWaalsContact O-CB 3.29Å; A22-M26 WeakPolarHBondContact O-CB 3.39Å; A22-M26 PolarHBondContact O-N 2.87Å; L23-M26 HydrophobicContact CD2-CE 3.87Å; L23-M26 WeakPolarHBondContact O-CB 3.46Å; L23-M26 PolarHBondContact O-N 2.81Å; T24-M26 VanDerWaalsContact C-N 3.34Å; T24-M26 PolarHBondContact O-N 3.15Å; M26-A28 VanDerWaalsContact C-N 3.33Å; M26-A28 PolarHBondContact O-N 3.1Å; M26-Y29 PolarHBondContact O-N 2.85Å; M26-W30 VanDerWaalsContact O-CB 3.28Å; M26-W30 WeakPolarHBondContact O-CB 3.45Å; M26-W30 PolarHBondContact O-N 2.87Å; M26-V64 HydrophobicContact CE-CG1 4.11Å; M26-V64 HydrophobicContact CG-CG1 4.37Å; M26-V64 HydrophobicContact SD-CG1 4.34Å; M26-L67 HydrophobicContact CE-CB 4.44Å; M26-L67 HydrophobicContact SD-CB 3.94Å; M26-L67 HydrophobicContact SD-CD1 4.09Å; M26-R68 HydrophobicContact CE-CB 3.89Å
27	E	78.7	Confident	79.8	Confident	90 Å²	90	71.9 Å²	71.9	42%	0.421	37%	0.372	S	S	.	.	H	α-helix	trans	-64.2	-37	175.5	-72.9	-173	165	0	0	112	L23 T24 W30 A31 R68	L23-E27 PolarHBondContact O-N 2.88Å; T24-E27 PolarHBondContact O-N 3.4Å; E27-W30 PolarHBondContact O-N 2.95Å; E27-A31 PolarHBondContact O-N 3.36Å; E27-R68 IonicContact OE1-CZ 3.14Å; E27-R68 IonicContact OE1-NE 3.65Å; E27-R68 PolarHBondContact OE1-NE 2.95Å; E27-R68 IonicContact OE1-NH2 3.42Å; E27-R68 PolarHBondContact OE1-NH2 3.16Å
28	A	81.3	Confident	80.1	Confident	62 Å²	62	65.7 Å²	65.7	51%	0.512	36%	0.357	S	S	.	.	H	α-helix	trans	-66	-44	174.1	0	0	0	0	0	112.7	T24 Q25 M26 A31 K32	T24-A28 PolarHBondContact O-N 2.83Å; Q25-A28 PolarHBondContact O-N 2.9Å; M26-A28 VanDerWaalsContact C-N 3.33Å; M26-A28 PolarHBondContact O-N 3.1Å; A28-A31 PolarHBondContact O-N 3.12Å; A28-K32 PolarHBondContact O-N 3.45Å; A28-K32 VanDerWaalsContact O-N 3.17Å
29	Y	81.4	Confident	80.5	Confident	148 Å²	148	63.7 Å²	63.7	58%	0.58	35%	0.354	S	S	*	.	H	α-helix	trans	-66.2	-38	174.8	-74.1	-52.8	0	0	0	112.4	Q25 M26 K32 L33	Q25-Y29 HydrophobicContact CG-CD2 4Å; Q25-Y29 HydrophobicContact CG-CE2 3.54Å; Q25-Y29 PolarHBondContact NE2-OH 3.16Å; Q25-Y29 WeakPolarHBondContact O-CD2 3.36Å; Q25-Y29 PolarHBondContact O-N 2.8Å; M26-Y29 PolarHBondContact O-N 2.85Å; Y29-K32 PolarHBondContact O-N 2.84Å; Y29-L33 WeakPolarHBondContact O-CB 3.21Å; Y29-L33 PolarHBondContact O-N 3.28Å
30	W	82.6	Confident	80.6	Confident	46 Å²	46	66 Å²	66	17%	0.174	37%	0.366	C	S	.	.	H	α-helix	trans	-60.4	-45.9	175.5	176.6	-113.3	0	0	0	111.5	M26 E27 K32 L33 Q34 F60 E61 V64	M26-W30 VanDerWaalsContact O-CB 3.28Å; M26-W30 WeakPolarHBondContact O-CB 3.45Å; M26-W30 PolarHBondContact O-N 2.87Å; E27-W30 PolarHBondContact O-N 2.95Å; W30-K32 VanDerWaalsContact C-N 3.33Å; W30-K32 PolarHBondContact O-N 2.93Å; W30-L33 HydrophobicContact CE3-CD2 4.33Å; W30-L33 HydrophobicContact CZ3-CD2 3.98Å; W30-L33 PolarHBondContact O-N 2.64Å; W30-Q34 HydrophobicContact CD2-CG 4.35Å; W30-Q34 HydrophobicContact CH2-CG 4.38Å; W30-Q34 HydrophobicContact CZ2-CG 3.96Å; W30-Q34 VanDerWaalsContact CZ2-NE2 3.27Å; W30-Q34 WeakPolarHBondContact O-CG 3.15Å; W30-Q34 PolarHBondContact O-N 2.71Å; W30-F60 HydrophobicContact CE3-CD1 4.21Å; W30-F60 AromaticContact CE3-CE1 3.97Å; W30-F60 HydrophobicContact CE3-CE1 3.97Å; W30-F60 AromaticContact CZ3-CD1 3.82Å; W30-F60 HydrophobicContact CZ3-CD1 3.82Å; W30-F60 HydrophobicContact CZ3-CE1 4.07Å; W30-E61 HydrophobicContact CH2-CB 3.46Å; W30-E61 VanDerWaalsContact CH2-CB 3.46Å; W30-E61 HydrophobicContact CH2-CG 3.42Å; W30-E61 VanDerWaalsContact CH2-CG 3.42Å; W30-E61 HydrophobicContact CZ2-CB 4.24Å; W30-E61 HydrophobicContact CZ2-CG 3.67Å; W30-E61 HydrophobicContact CZ3-CB 4.11Å; W30-E61 HydrophobicContact CZ3-CG 4.37Å; W30-V64 HydrophobicContact CB-CG1 4.4Å; W30-V64 HydrophobicContact CD2-CG1 4.15Å; W30-V64 HydrophobicContact CE3-CB 4.25Å; W30-V64 HydrophobicContact CE3-CG1 4.21Å; W30-V64 HydrophobicContact CE3-CG2 3.92Å; W30-V64 HydrophobicContact CG-CG1 4.23Å; W30-V64 HydrophobicContact CZ3-CG2 4.38Å
31	A	78.7	Confident	80.9	Confident	46 Å²	46	67.4 Å²	67.4	38%	0.38	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-41.7	176	0	0	0	0	0	112.5	E27 A28 Q34 E35	E27-A31 PolarHBondContact O-N 3.36Å; A28-A31 PolarHBondContact O-N 3.12Å; A31-Q34 PolarHBondContact O-N 3.04Å; A31-E35 PolarHBondContact O-N 2.89Å
32	K	80.5	Confident	81	Confident	137 Å²	137	69.2 Å²	69.2	60%	0.596	38%	0.377	S	S	*	.	H	α-helix	trans	-67.5	-37.6	177.2	-166.2	172.6	-174.9	176.7	0	112.4	A28 Y29 W30 E35 V36	A28-K32 PolarHBondContact O-N 3.45Å; A28-K32 VanDerWaalsContact O-N 3.17Å; Y29-K32 PolarHBondContact O-N 2.84Å; W30-K32 VanDerWaalsContact C-N 3.33Å; W30-K32 PolarHBondContact O-N 2.93Å; K32-E35 WeakPolarHBondContact O-CB 3.33Å; K32-E35 PolarHBondContact O-N 3.31Å; K32-V36 WeakPolarHBondContact O-CG2 3.35Å; K32-V36 PolarHBondContact O-N 2.88Å
33	L	80.8	Confident	81.1	Confident	59 Å²	59	78 Å²	78	31%	0.309	41%	0.409	S	S	.	.	H	α-helix	trans	-68.5	-37.3	177.3	-171.4	135.4	0	0	0	111.7	Y29 W30 E35 V36 Q37 F60	Y29-L33 WeakPolarHBondContact O-CB 3.21Å; Y29-L33 PolarHBondContact O-N 3.28Å; W30-L33 HydrophobicContact CE3-CD2 4.33Å; W30-L33 HydrophobicContact CZ3-CD2 3.98Å; W30-L33 PolarHBondContact O-N 2.64Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 PolarHBondContact O-N 3.1Å; L33-V36 PolarHBondContact O-N 3.29Å; L33-Q37 WeakPolarHBondContact O-CB 3.18Å; L33-Q37 PolarHBondContact O-N 2.96Å; L33-F60 HydrophobicContact CD1-CD1 3.81Å; L33-F60 HydrophobicContact CD1-CE1 3.43Å; L33-F60 VanDerWaalsContact CD1-CE1 3.43Å; L33-F60 HydrophobicContact CD1-CZ 3.95Å; L33-F60 HydrophobicContact CD2-CD1 3.68Å; L33-F60 HydrophobicContact CD2-CE1 3.86Å; L33-F60 HydrophobicContact CG-CD1 4.37Å; L33-F60 HydrophobicContact CG-CE1 4.16Å
34	Q	78.9	Confident	81.2	Confident	91 Å²	91	79.3 Å²	79.3	43%	0.425	42%	0.418	S	S	.	.	H	α-helix	trans	-62.3	-35.9	172.8	-72.3	-171.6	-38.3	0	0	112.7	W30 A31 G38	W30-Q34 HydrophobicContact CD2-CG 4.35Å; W30-Q34 HydrophobicContact CH2-CG 4.38Å; W30-Q34 HydrophobicContact CZ2-CG 3.96Å; W30-Q34 VanDerWaalsContact CZ2-NE2 3.27Å; W30-Q34 WeakPolarHBondContact O-CG 3.15Å; W30-Q34 PolarHBondContact O-N 2.71Å; A31-Q34 PolarHBondContact O-N 3.04Å; Q34-G38 PolarHBondContact O-N 3.01Å
35	E	80	Confident	81	Confident	147 Å²	147	84.1 Å²	84.1	69%	0.687	43%	0.434	S	S	*	.	H	α-helix	trans	-67.5	-46.8	174.7	-174.3	-177.8	-179.1	0	0	111.7	A31 K32 L33 G38 A39	A31-E35 PolarHBondContact O-N 2.89Å; K32-E35 WeakPolarHBondContact O-CB 3.33Å; K32-E35 PolarHBondContact O-N 3.31Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 PolarHBondContact O-N 3.1Å; E35-G38 PolarHBondContact O-N 2.71Å; E35-A39 PolarHBondContact O-N 3.49Å
36	V	82.2	Confident	81.2	Confident	74 Å²	74	85 Å²	85	45%	0.448	44%	0.441	S	S	.	.	H	α-helix	trans	-65.2	-41.9	177.9	173.3	0	0	0	0	111.5	K32 L33 G38 A39 I40	K32-V36 WeakPolarHBondContact O-CG2 3.35Å; K32-V36 PolarHBondContact O-N 2.88Å; L33-V36 PolarHBondContact O-N 3.29Å; V36-G38 VanDerWaalsContact C-N 3.34Å; V36-G38 PolarHBondContact O-N 3.44Å; V36-A39 CarbonylContact O-C 3.52Å; V36-A39 WeakPolarHBondContact O-CA 3.41Å; V36-A39 WeakPolarHBondContact O-CB 3.23Å; V36-A39 PolarHBondContact O-N 3.16Å; V36-I40 HydrophobicContact CG1-CD1 3.83Å; V36-I40 HydrophobicContact CG1-CG1 4.27Å; V36-I40 WeakPolarHBondContact O-CG1 3.42Å; V36-I40 PolarHBondContact O-N 2.83Å
37	Q	82.5	Confident	80.5	Confident	21 Å²	21	91.9 Å²	91.9	10%	0.098	47%	0.473	C	S	.	.	H	α-helix	trans	-59.3	-45.8	177.1	-177.7	63.5	22.2	0	0	111.2	L33 A39 I40 E41 A57	L33-Q37 WeakPolarHBondContact O-CB 3.18Å; L33-Q37 PolarHBondContact O-N 2.96Å; Q37-A39 PolarHBondContact O-N 3.5Å; Q37-I40 PolarHBondContact O-N 2.76Å; Q37-I40 VanDerWaalsContact O-N 3.17Å; Q37-E41 HydrophobicContact CG-CG 4.41Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.47Å; Q37-E41 PolarHBondContact NE2-OE1 2.77Å; Q37-E41 WeakPolarHBondContact O-CB 3.48Å; Q37-E41 WeakPolarHBondContact O-CG 3.39Å; Q37-E41 PolarHBondContact O-N 2.61Å; Q37-A57 HydrophobicContact CG-CB 4.13Å
38	G	78.7	Confident	80.4	Confident	41 Å²	41	89.6 Å²	89.6	42%	0.423	47%	0.474	S	S	.	.	H	α-helix	trans	-63.6	-26.1	175.7	0	0	0	0	0	113.6	Q34 E35 V36	Q34-G38 PolarHBondContact O-N 3.01Å; E35-G38 PolarHBondContact O-N 2.71Å; V36-G38 VanDerWaalsContact C-N 3.34Å; V36-G38 PolarHBondContact O-N 3.44Å
39	A	83.5	Confident	80.3	Confident	41 Å²	41	88.7 Å²	88.7	34%	0.339	47%	0.466	S	S	.	.	H	α-helix	trans	-76.6	-44.6	171.1	0	0	0	0	0	111.6	E35 V36 Q37 E41 S42 Y43	E35-A39 PolarHBondContact O-N 3.49Å; V36-A39 CarbonylContact O-C 3.52Å; V36-A39 WeakPolarHBondContact O-CA 3.41Å; V36-A39 WeakPolarHBondContact O-CB 3.23Å; V36-A39 PolarHBondContact O-N 3.16Å; Q37-A39 PolarHBondContact O-N 3.5Å; A39-E41 PolarHBondContact O-N 3.25Å; A39-S42 PolarHBondContact O-N 2.87Å; A39-S42 VanDerWaalsContact O-N 3.09Å; A39-S42 PolarHBondContact O-OG 3.31Å; A39-Y43 HydrophobicContact CB-CE2 4.49Å; A39-Y43 WeakPolarHBondContact O-CD2 3.43Å; A39-Y43 PolarHBondContact O-N 2.77Å
40	I	78.3	Confident	80.2	Confident	56 Å²	56	84.3 Å²	84.3	29%	0.287	45%	0.453	S	S	.	.	H	α-helix	trans	-60.2	-48.1	177.9	-65.4	168.2	0	0	0	110.3	V36 Q37 S42 Y43 V44 E53	V36-I40 HydrophobicContact CG1-CD1 3.83Å; V36-I40 HydrophobicContact CG1-CG1 4.27Å; V36-I40 WeakPolarHBondContact O-CG1 3.42Å; V36-I40 PolarHBondContact O-N 2.83Å; Q37-I40 PolarHBondContact O-N 2.76Å; Q37-I40 VanDerWaalsContact O-N 3.17Å; I40-S42 PolarHBondContact O-N 3.03Å; I40-S42 VanDerWaalsContact O-N 3.08Å; I40-Y43 PolarHBondContact O-N 3.31Å; I40-V44 HydrophobicContact CG2-CG2 3.9Å; I40-V44 WeakPolarHBondContact O-CG2 3.29Å; I40-V44 PolarHBondContact O-N 3.3Å; I40-V44 VanDerWaalsContact O-N 3.11Å; I40-E53 HydrophobicContact CG2-CG 3.76Å
41	E	82.2	Confident	79.8	Confident	85 Å²	85	88.7 Å²	88.7	40%	0.397	48%	0.475	S	S	.	.	H	α-helix	trans	-59	-22.7	177.2	-70.9	173.5	-173.7	0	0	113.3	Q37 A39 L50	Q37-E41 HydrophobicContact CG-CG 4.41Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.47Å; Q37-E41 PolarHBondContact NE2-OE1 2.77Å; Q37-E41 WeakPolarHBondContact O-CB 3.48Å; Q37-E41 WeakPolarHBondContact O-CG 3.39Å; Q37-E41 PolarHBondContact O-N 2.61Å; A39-E41 PolarHBondContact O-N 3.25Å; E41-L50 HydrophobicContact CB-CD1 4.15Å; E41-L50 HydrophobicContact CG-CD1 4.04Å
42	S	81.1	Confident	79.9	Confident	87 Å²	87	93.1 Å²	93.1	61%	0.608	49%	0.486	S	S	*	.	H	α-helix	trans	-89.3	-15.5	176.9	77.5	0	0	0	0	114.5	A39 I40	A39-S42 PolarHBondContact O-N 2.87Å; A39-S42 VanDerWaalsContact O-N 3.09Å; A39-S42 PolarHBondContact O-OG 3.31Å; I40-S42 PolarHBondContact O-N 3.03Å; I40-S42 VanDerWaalsContact O-N 3.08Å
43	Y	83.6	Confident	80.1	Confident	193 Å²	193	89.2 Å²	89.2	76%	0.757	47%	0.47	S	S	*	.	H	α-helix	trans	-103.7	-13.2	178.4	-71.3	-67.6	0	0	0	114.1	A39 I40 E45	A39-Y43 HydrophobicContact CB-CE2 4.49Å; A39-Y43 WeakPolarHBondContact O-CD2 3.43Å; A39-Y43 PolarHBondContact O-N 2.77Å; I40-Y43 PolarHBondContact O-N 3.31Å; Y43-E45 PolarHBondContact O-N 3Å
44	V	82.9	Confident	80	Confident	43 Å²	43	89 Å²	89	26%	0.261	47%	0.471	S	S	.	.			trans	-85	107.1	179.5	178.4	0	0	0	0	110.1	I40 D46 A49 L50	I40-V44 HydrophobicContact CG2-CG2 3.9Å; I40-V44 WeakPolarHBondContact O-CG2 3.29Å; I40-V44 PolarHBondContact O-N 3.3Å; I40-V44 VanDerWaalsContact O-N 3.11Å; V44-D46 WeakPolarHBondContact CG1-O 3.4Å; V44-A49 HydrophobicContact CG1-CB 3.81Å; V44-L50 HydrophobicContact CB-CD1 4.37Å; V44-L50 HydrophobicContact CG1-CB 3.88Å
45	E	75.9	Confident	79.9	Confident	196 Å²	196	91.1 Å²	91.1	92%	0.916	48%	0.481	S	S	*	.			trans	-83.7	-21.6	177.7	-63.2	-176.4	169	0	0	113.4	Y43	Y43-E45 PolarHBondContact O-N 3Å
46	D	87.1	Confident	79.9	Confident	104 Å²	104	88.2 Å²	88.2	56%	0.556	47%	0.47	S	S	*	.			trans	-86.2	118.6	-179.6	178.5	70	0	0	0	111.6	V44 G48 A49 L50	V44-D46 WeakPolarHBondContact CG1-O 3.4Å; D46-G48 VanDerWaalsContact C-N 3.31Å; D46-G48 PolarHBondContact O-N 3.09Å; D46-G48 PolarHBondContact OD2-N 3.41Å; D46-A49 HydrophobicContact CB-CB 4.02Å; D46-A49 PolarHBondContact O-N 3.29Å; D46-A49 VanDerWaalsContact OD2-CB 3.29Å; D46-A49 WeakPolarHBondContact OD2-CB 3.4Å; D46-A49 PolarHBondContact OD2-N 3.37Å; D46-L50 WeakPolarHBondContact O-CB 3.46Å; D46-L50 PolarHBondContact O-N 2.87Å
47	E	69.9	Low	79.8	Confident	162 Å²	162	85.6 Å²	85.6	76%	0.757	46%	0.456	S	S	*	.	H	α-helix	trans	-59.9	-37.2	-177	-74.8	-173.7	157.3	0	0	112.9	L50 E51	E47-L50 PolarHBondContact O-N 3.49Å; E47-E51 WeakPolarHBondContact O-CG 3.11Å; E47-E51 PolarHBondContact O-N 3.32Å
48	G	75.7	Confident	79.4	Confident	42 Å²	42	90.1 Å²	90.1	43%	0.433	48%	0.478	S	S	.	.	H	α-helix	trans	-70.3	-38.7	179.5	0	0	0	0	0	113.1	D46 K52	D46-G48 VanDerWaalsContact C-N 3.31Å; D46-G48 PolarHBondContact O-N 3.09Å; D46-G48 PolarHBondContact OD2-N 3.41Å; G48-K52 PolarHBondContact O-N 2.92Å
49	A	79.9	Confident	79.2	Confident	44 Å²	44	90.9 Å²	90.9	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-67.2	-37.9	172.1	0	0	0	0	0	111.7	V44 D46 K52 E53	V44-A49 HydrophobicContact CG1-CB 3.81Å; D46-A49 HydrophobicContact CB-CB 4.02Å; D46-A49 PolarHBondContact O-N 3.29Å; D46-A49 VanDerWaalsContact OD2-CB 3.29Å; D46-A49 WeakPolarHBondContact OD2-CB 3.4Å; D46-A49 PolarHBondContact OD2-N 3.37Å; A49-K52 PolarHBondContact O-N 2.94Å; A49-E53 WeakPolarHBondContact O-CB 3.43Å; A49-E53 PolarHBondContact O-N 3.28Å
50	L	79.7	Confident	79.1	Confident	56 Å²	56	92.7 Å²	92.7	29%	0.293	48%	0.481	S	S	.	.	H	α-helix	trans	-64.9	-45.9	176.5	-176.9	63.9	0	0	0	111.3	E41 V44 D46 E47 K52 E53 V54	E41-L50 HydrophobicContact CB-CD1 4.15Å; E41-L50 HydrophobicContact CG-CD1 4.04Å; V44-L50 HydrophobicContact CB-CD1 4.37Å; V44-L50 HydrophobicContact CG1-CB 3.88Å; D46-L50 WeakPolarHBondContact O-CB 3.46Å; D46-L50 PolarHBondContact O-N 2.87Å; E47-L50 PolarHBondContact O-N 3.49Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.28Å; L50-E53 PolarHBondContact O-N 3.07Å; L50-V54 HydrophobicContact CD1-CG2 4.48Å; L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.26Å; L50-V54 PolarHBondContact O-N 3.44Å
51	E	73.8	Confident	79.2	Confident	138 Å²	138	94.2 Å²	94.2	65%	0.645	49%	0.487	S	S	*	.	H	α-helix	trans	-57.2	-46.8	175.6	-80.3	-175.6	163.1	0	0	111.7	E47 E53 V54 E55	E47-E51 WeakPolarHBondContact O-CG 3.11Å; E47-E51 PolarHBondContact O-N 3.32Å; E51-E53 VanDerWaalsContact C-N 3.33Å; E51-E53 PolarHBondContact O-N 3.48Å; E51-V54 PolarHBondContact O-N 3.3Å; E51-E55 WeakPolarHBondContact O-CG 3.38Å; E51-E55 PolarHBondContact O-N 2.8Å
52	K	79.9	Confident	78.7	Confident	139 Å²	139	94.8 Å²	94.8	60%	0.604	50%	0.497	S	S	*	.	H	α-helix	trans	-63	-38.5	178.2	-170.8	178.5	-178.7	-178.3	0	112.6	G48 A49 L50 E55 N56	G48-K52 PolarHBondContact O-N 2.92Å; A49-K52 PolarHBondContact O-N 2.94Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.28Å; K52-E55 PolarHBondContact O-N 2.89Å; K52-N56 VanDerWaalsContact O-CG 3.23Å; K52-N56 PolarHBondContact O-N 3.41Å; K52-N56 VanDerWaalsContact O-N 3.08Å; K52-N56 PolarHBondContact O-ND2 3.08Å
53	E	85.6	Confident	78.5	Confident	55 Å²	55	93.5 Å²	93.5	26%	0.257	49%	0.485	S	S	.	.	H	α-helix	trans	-69.1	-39.5	178	-170.4	63.6	-170.9	0	0	111.9	I40 A49 L50 E51 N56 A57	I40-E53 HydrophobicContact CG2-CG 3.76Å; A49-E53 WeakPolarHBondContact O-CB 3.43Å; A49-E53 PolarHBondContact O-N 3.28Å; L50-E53 PolarHBondContact O-N 3.07Å; E51-E53 VanDerWaalsContact C-N 3.33Å; E51-E53 PolarHBondContact O-N 3.48Å; E53-N56 PolarHBondContact O-N 3.45Å; E53-A57 WeakPolarHBondContact O-CB 3.48Å; E53-A57 PolarHBondContact O-N 3.11Å
54	V	78	Confident	78.3	Confident	55 Å²	55	84.9 Å²	84.9	33%	0.333	45%	0.453	S	S	.	.	H	α-helix	trans	-63.7	-42.4	174.2	171.4	0	0	0	0	111.2	L50 E51 A57 M58	L50-V54 HydrophobicContact CD1-CG2 4.48Å; L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.26Å; L50-V54 PolarHBondContact O-N 3.44Å; E51-V54 PolarHBondContact O-N 3.3Å; V54-A57 PolarHBondContact O-N 3.27Å; V54-M58 HydrophobicContact CG1-SD 4.36Å; V54-M58 WeakPolarHBondContact O-CG 3.42Å; V54-M58 PolarHBondContact O-N 3.01Å
55	E	77.1	Confident	77.9	Confident	135 Å²	135	86.9 Å²	86.9	63%	0.631	47%	0.465	S	S	*	.	H	α-helix	trans	-60.3	-44.9	174.9	-76.7	-175.3	168.7	0	0	112.1	E51 K52 A57 M58 A59	E51-E55 WeakPolarHBondContact O-CG 3.38Å; E51-E55 PolarHBondContact O-N 2.8Å; K52-E55 PolarHBondContact O-N 2.89Å; E55-A57 PolarHBondContact O-N 3.22Å; E55-M58 PolarHBondContact O-N 3.13Å; E55-A59 PolarHBondContact O-N 3.05Å
56	N	80.3	Confident	77.7	Confident	86 Å²	86	80.8 Å²	80.8	46%	0.46	44%	0.439	S	S	.	.	H	α-helix	trans	-61.3	-43.7	176.5	-71.5	-27.3	0	0	0	111.7	K52 E53 A59 F60	K52-N56 VanDerWaalsContact O-CG 3.23Å; K52-N56 PolarHBondContact O-N 3.41Å; K52-N56 VanDerWaalsContact O-N 3.08Å; K52-N56 PolarHBondContact O-ND2 3.08Å; E53-N56 PolarHBondContact O-N 3.45Å; N56-A59 PolarHBondContact O-N 2.93Å; N56-F60 PolarHBondContact O-N 3.09Å
57	A	80	Confident	77.2	Confident	19 Å²	19	76 Å²	76	16%	0.157	41%	0.413	C	S	.	.	H	α-helix	trans	-62.9	-42.1	178	0	0	0	0	0	112	Q37 E53 V54 E55 F60 E61	Q37-A57 HydrophobicContact CG-CB 4.13Å; E53-A57 WeakPolarHBondContact O-CB 3.48Å; E53-A57 PolarHBondContact O-N 3.11Å; V54-A57 PolarHBondContact O-N 3.27Å; E55-A57 PolarHBondContact O-N 3.22Å; A57-F60 PolarHBondContact O-N 2.85Å; A57-E61 WeakPolarHBondContact O-CB 3.5Å; A57-E61 PolarHBondContact O-N 3.18Å
58	M	74.5	Confident	77.6	Confident	115 Å²	115	73.4 Å²	73.4	57%	0.567	40%	0.396	S	S	*	.	H	α-helix	trans	-64.6	-40.4	176.2	-77.3	-177	46.7	0	0	113	V54 E55 F60 E61 T62	V54-M58 HydrophobicContact CG1-SD 4.36Å; V54-M58 WeakPolarHBondContact O-CG 3.42Å; V54-M58 PolarHBondContact O-N 3.01Å; E55-M58 PolarHBondContact O-N 3.13Å; M58-F60 VanDerWaalsContact C-N 3.33Å; M58-E61 PolarHBondContact O-N 3.38Å; M58-T62 PolarHBondContact O-N 2.86Å; M58-T62 PolarHBondContact O-OG1 3.43Å
59	A	74.9	Confident	77.4	Confident	58 Å²	58	73 Å²	73	48%	0.479	39%	0.389	S	S	.	.	H	α-helix	trans	-63.7	-40.4	175.6	0	0	0	0	0	111.5	E55 N56 T63	E55-A59 PolarHBondContact O-N 3.05Å; N56-A59 PolarHBondContact O-N 2.93Å; A59-T63 PolarHBondContact O-N 2.79Å; A59-T63 PolarHBondContact O-OG1 3.42Å
60	F	80	Confident	77.1	Confident	78 Å²	78	74.1 Å²	74.1	34%	0.342	39%	0.386	S	S	.	.	H	α-helix	trans	-68.1	-40.9	175.4	-173.8	-101	0	0	0	112.3	W30 L33 N56 A57 M58 T62 T63 V64	W30-F60 HydrophobicContact CE3-CD1 4.21Å; W30-F60 AromaticContact CE3-CE1 3.97Å; W30-F60 HydrophobicContact CE3-CE1 3.97Å; W30-F60 AromaticContact CZ3-CD1 3.82Å; W30-F60 HydrophobicContact CZ3-CD1 3.82Å; W30-F60 HydrophobicContact CZ3-CE1 4.07Å; L33-F60 HydrophobicContact CD1-CD1 3.81Å; L33-F60 HydrophobicContact CD1-CE1 3.43Å; L33-F60 VanDerWaalsContact CD1-CE1 3.43Å; L33-F60 HydrophobicContact CD1-CZ 3.95Å; L33-F60 HydrophobicContact CD2-CD1 3.68Å; L33-F60 HydrophobicContact CD2-CE1 3.86Å; L33-F60 HydrophobicContact CG-CD1 4.37Å; L33-F60 HydrophobicContact CG-CE1 4.16Å; N56-F60 PolarHBondContact O-N 3.09Å; A57-F60 PolarHBondContact O-N 2.85Å; M58-F60 VanDerWaalsContact C-N 3.33Å; F60-T62 PolarHBondContact O-N 2.81Å; F60-T63 WeakPolarHBondContact O-CB 3.31Å; F60-T63 PolarHBondContact O-N 2.96Å; F60-V64 HydrophobicContact CD1-CG2 4.2Å; F60-V64 HydrophobicContact CE1-CG2 3.74Å; F60-V64 HydrophobicContact CZ-CG2 3.99Å; F60-V64 WeakPolarHBondContact O-CG2 3.43Å; F60-V64 PolarHBondContact O-N 2.8Å
61	E	80.8	Confident	76.8	Confident	89 Å²	89	71.6 Å²	71.6	42%	0.416	37%	0.373	S	S	.	.	H	α-helix	trans	-58	-48.7	175.1	-174.9	164.3	-165.3	0	0	111.9	W30 A57 M58 T63 V64 V65	W30-E61 HydrophobicContact CH2-CB 3.46Å; W30-E61 VanDerWaalsContact CH2-CB 3.46Å; W30-E61 HydrophobicContact CH2-CG 3.42Å; W30-E61 VanDerWaalsContact CH2-CG 3.42Å; W30-E61 HydrophobicContact CZ2-CB 4.24Å; W30-E61 HydrophobicContact CZ2-CG 3.67Å; W30-E61 HydrophobicContact CZ3-CB 4.11Å; W30-E61 HydrophobicContact CZ3-CG 4.37Å; A57-E61 WeakPolarHBondContact O-CB 3.5Å; A57-E61 PolarHBondContact O-N 3.18Å; M58-E61 PolarHBondContact O-N 3.38Å; E61-T63 PolarHBondContact O-N 3.1Å; E61-V64 PolarHBondContact O-N 2.92Å; E61-V64 VanDerWaalsContact O-N 3.12Å; E61-V65 HydrophobicContact CG-CG2 4.42Å; E61-V65 WeakPolarHBondContact O-CG2 3.28Å; E61-V65 PolarHBondContact O-N 2.94Å
62	T	72	Confident	76.7	Confident	97 Å²	97	68.8 Å²	68.8	60%	0.595	36%	0.36	S	S	*	.	H	α-helix	trans	-56	-40.8	178.2	-58	0	0	0	0	111	M58 F60 V65 D66	M58-T62 PolarHBondContact O-N 2.86Å; M58-T62 PolarHBondContact O-OG1 3.43Å; F60-T62 PolarHBondContact O-N 2.81Å; T62-V65 PolarHBondContact O-N 2.66Å; T62-D66 PolarHBondContact O-N 3.24Å
63	T	77.2	Confident	76.1	Confident	60 Å²	60	70 Å²	70	37%	0.368	36%	0.36	S	S	.	.	H	α-helix	trans	-66.2	-42.4	178.9	-61.5	0	0	0	0	112.3	M1 A59 F60 E61 L67	M1-T63 HydrophobicContact CE-CG2 3.08Å; M1-T63 HydrophobicContact SD-CG2 3.91Å; A59-T63 PolarHBondContact O-N 2.79Å; A59-T63 PolarHBondContact O-OG1 3.42Å; F60-T63 WeakPolarHBondContact O-CB 3.31Å; F60-T63 PolarHBondContact O-N 2.96Å; E61-T63 PolarHBondContact O-N 3.1Å; T63-L67 PolarHBondContact O-N 3.15Å; T63-L67 VanDerWaalsContact O-N 3.13Å
64	V	78.9	Confident	75.4	Confident	12 Å²	12	70.9 Å²	70.9	7%	0.073	36%	0.362	C	S	.	.	H	α-helix	trans	-66.1	-43.2	176.4	172.1	0	0	0	0	111.4	M26 W30 F60 E61 L67 R68	M26-V64 HydrophobicContact CE-CG1 4.11Å; M26-V64 HydrophobicContact CG-CG1 4.37Å; M26-V64 HydrophobicContact SD-CG1 4.34Å; W30-V64 HydrophobicContact CB-CG1 4.4Å; W30-V64 HydrophobicContact CD2-CG1 4.15Å; W30-V64 HydrophobicContact CE3-CB 4.25Å; W30-V64 HydrophobicContact CE3-CG1 4.21Å; W30-V64 HydrophobicContact CE3-CG2 3.92Å; W30-V64 HydrophobicContact CG-CG1 4.23Å; W30-V64 HydrophobicContact CZ3-CG2 4.38Å; F60-V64 HydrophobicContact CD1-CG2 4.2Å; F60-V64 HydrophobicContact CE1-CG2 3.74Å; F60-V64 HydrophobicContact CZ-CG2 3.99Å; F60-V64 WeakPolarHBondContact O-CG2 3.43Å; F60-V64 PolarHBondContact O-N 2.8Å; E61-V64 PolarHBondContact O-N 2.92Å; E61-V64 VanDerWaalsContact O-N 3.12Å; V64-L67 PolarHBondContact O-N 3.28Å; V64-R68 WeakPolarHBondContact O-CB 3.38Å; V64-R68 PolarHBondContact O-N 3.24Å
65	V	74.6	Confident	75.1	Confident	85 Å²	85	70.3 Å²	70.3	52%	0.515	36%	0.357	S	S	.	.	H	α-helix	trans	-62.2	-44.6	178.6	171.4	0	0	0	0	111.4	E61 T62 R68 A69	E61-V65 HydrophobicContact CG-CG2 4.42Å; E61-V65 WeakPolarHBondContact O-CG2 3.28Å; E61-V65 PolarHBondContact O-N 2.94Å; T62-V65 PolarHBondContact O-N 2.66Å; V65-R68 WeakPolarHBondContact O-CB 3.46Å; V65-R68 PolarHBondContact O-N 3.27Å; V65-A69 PolarHBondContact O-N 3.06Å
66	D	72.4	Confident	74.5	Confident	68 Å²	68	71 Å²	71	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-66	-42.3	178.7	-175.4	35.9	0	0	0	111.8	T62 R68 A69 K70	T62-D66 PolarHBondContact O-N 3.24Å; D66-R68 VanDerWaalsContact C-N 3.33Å; D66-R68 PolarHBondContact O-N 2.94Å; D66-A69 PolarHBondContact O-N 3.15Å; D66-K70 WeakPolarHBondContact O-CB 3.43Å; D66-K70 WeakPolarHBondContact O-CD 3.32Å; D66-K70 VanDerWaalsContact O-CG 3.28Å; D66-K70 WeakPolarHBondContact O-CG 3.5Å; D66-K70 PolarHBondContact O-N 2.85Å; D66-K70 WeakPolarHBondContact OD1-CE 3.28Å; D66-K70 IonicContact OD1-NZ 3.21Å; D66-K70 WeakPolarHBondContact OD2-CE 3.29Å; D66-K70 IonicContact OD2-NZ 3.11Å; D66-K70 PolarHBondContact OD2-NZ 3.25Å
67	L	76.5	Confident	73.2	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-39.7	173.3	-87.9	-159.9	0	0	0	113.1	M1 L4 M26 T63 V64 K70 G71	M1-L67 HydrophobicContact CE-CD1 3.32Å; M1-L67 HydrophobicContact CE-CD2 4.48Å; M1-L67 HydrophobicContact CE-CG 3.7Å; M1-L67 HydrophobicContact CG-CD1 4.42Å; M1-L67 HydrophobicContact SD-CD1 3.13Å; M1-L67 WeakPolarHBondContact SD-CD1 3.31Å; M1-L67 HydrophobicContact SD-CG 4Å; L4-L67 HydrophobicContact CB-CD1 4.29Å; L4-L67 HydrophobicContact CD2-CD2 4.38Å; M26-L67 HydrophobicContact CE-CB 4.44Å; M26-L67 HydrophobicContact SD-CB 3.94Å; M26-L67 HydrophobicContact SD-CD1 4.09Å; T63-L67 PolarHBondContact O-N 3.15Å; T63-L67 VanDerWaalsContact O-N 3.13Å; V64-L67 PolarHBondContact O-N 3.28Å; L67-K70 PolarHBondContact O-N 3.17Å; L67-G71 PolarHBondContact O-N 3Å
68	R	78.6	Confident	71.1	Confident	107 Å²	107	74 Å²	74	40%	0.404	40%	0.396	S	S	.	.	H	α-helix	trans	-60.6	-49.7	175.8	-173.4	-175.9	-168.5	-159.6	2.5	110.9	M26 E27 V64 V65 D66 K70 G71 Q72	M26-R68 HydrophobicContact CE-CB 3.89Å; E27-R68 IonicContact OE1-CZ 3.14Å; E27-R68 IonicContact OE1-NE 3.65Å; E27-R68 PolarHBondContact OE1-NE 2.95Å; E27-R68 IonicContact OE1-NH2 3.42Å; E27-R68 PolarHBondContact OE1-NH2 3.16Å; V64-R68 WeakPolarHBondContact O-CB 3.38Å; V64-R68 PolarHBondContact O-N 3.24Å; V65-R68 WeakPolarHBondContact O-CB 3.46Å; V65-R68 PolarHBondContact O-N 3.27Å; D66-R68 VanDerWaalsContact C-N 3.33Å; D66-R68 PolarHBondContact O-N 2.94Å; R68-K70 VanDerWaalsContact C-N 3.26Å; R68-K70 PolarHBondContact O-N 3.26Å; R68-G71 PolarHBondContact O-N 3.03Å; R68-Q72 WeakPolarHBondContact O-CB 3.32Å; R68-Q72 WeakPolarHBondContact O-CG 3.38Å; R68-Q72 PolarHBondContact O-N 3.49Å
69	A	71.1	Confident	69	Low	34 Å²	34	74.5 Å²	74.5	28%	0.281	41%	0.407	S	S	.	.	H	α-helix	trans	-61.7	-35.2	177.8	0	0	0	0	0	112.2	V65 D66 R73	V65-A69 PolarHBondContact O-N 3.06Å; D66-A69 PolarHBondContact O-N 3.15Å; A69-R73 WeakPolarHBondContact O-CB 3.49Å; A69-R73 WeakPolarHBondContact O-CG 3.14Å; A69-R73 PolarHBondContact O-N 2.86Å; A69-R73 VanDerWaalsContact O-N 3.15Å; A69-R73 PolarHBondContact O-NE 2.94Å; A69-R73 VanDerWaalsContact O-NE 3.11Å
70	K	72.6	Confident	66.9	Low	67 Å²	67	81.4 Å²	81.4	29%	0.291	43%	0.426	S	S	.	.	H	α-helix	trans	-69.8	-43.1	174.8	-77.8	159.2	167.6	177.3	0	112.2	K8 D66 L67 R68 R73 Y74	K8-K70 VanDerWaalsContact NZ-CD 3.35Å; D66-K70 WeakPolarHBondContact O-CB 3.43Å; D66-K70 WeakPolarHBondContact O-CD 3.32Å; D66-K70 VanDerWaalsContact O-CG 3.28Å; D66-K70 WeakPolarHBondContact O-CG 3.5Å; D66-K70 PolarHBondContact O-N 2.85Å; D66-K70 WeakPolarHBondContact OD1-CE 3.28Å; D66-K70 IonicContact OD1-NZ 3.21Å; D66-K70 WeakPolarHBondContact OD2-CE 3.29Å; D66-K70 IonicContact OD2-NZ 3.11Å; D66-K70 PolarHBondContact OD2-NZ 3.25Å; L67-K70 PolarHBondContact O-N 3.17Å; R68-K70 VanDerWaalsContact C-N 3.26Å; R68-K70 PolarHBondContact O-N 3.26Å; K70-R73 PolarHBondContact O-N 3.25Å; K70-Y74 PolarHBondContact O-N 3.19Å; K70-Y74 VanDerWaalsContact O-N 3.16Å
71	G	74	Confident	64.6	Low	2 Å²	2	84.5 Å²	84.5	2%	0.021	45%	0.452	C	S	.	.	H	α-helix	trans	-67	-40.7	177.2	0	0	0	0	0	112.6	L67 R68 Y74 L75	L67-G71 PolarHBondContact O-N 3Å; R68-G71 PolarHBondContact O-N 3.03Å; G71-Y74 WeakPolarHBondContact O-CB 3.37Å; G71-Y74 PolarHBondContact O-N 3.37Å; G71-L75 WeakPolarHBondContact O-CG 3.38Å; G71-L75 PolarHBondContact O-N 3.48Å
72	Q	71.6	Confident	62.2	Low	80 Å²	80	87 Å²	87	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-63.9	-40	174.2	-73.9	176.3	-25.5	0	0	112.3	R68 Y74 L75 H76	R68-Q72 WeakPolarHBondContact O-CB 3.32Å; R68-Q72 WeakPolarHBondContact O-CG 3.38Å; R68-Q72 PolarHBondContact O-N 3.49Å; Q72-Y74 VanDerWaalsContact C-N 3.3Å; Q72-Y74 PolarHBondContact O-N 3.37Å; Q72-L75 PolarHBondContact O-N 3.36Å; Q72-H76 WeakPolarHBondContact O-CB 3.41Å; Q72-H76 PolarHBondContact O-CD2 2.96Å; Q72-H76 PolarHBondContact O-N 2.97Å
73	R	67.7	Low	60.1	Low	163 Å²	163	87 Å²	87	62%	0.615	48%	0.484	S	S	*	.	H	α-helix	trans	-61.4	-37	173.1	-82.8	-178.6	-85.4	170.4	-11.1	113	A69 K70 G77	A69-R73 WeakPolarHBondContact O-CB 3.49Å; A69-R73 WeakPolarHBondContact O-CG 3.14Å; A69-R73 PolarHBondContact O-N 2.86Å; A69-R73 VanDerWaalsContact O-N 3.15Å; A69-R73 PolarHBondContact O-NE 2.94Å; A69-R73 VanDerWaalsContact O-NE 3.11Å; K70-R73 PolarHBondContact O-N 3.25Å; R73-G77 PolarHBondContact O-N 2.9Å
74	Y	71	Confident	57.9	Low	75 Å²	75	90.6 Å²	90.6	29%	0.294	51%	0.505	S	S	.	.	H	α-helix	trans	-66.8	-40.2	174.3	-179.1	-90.4	0	0	0	112.1	N12 Q16 V19 K70 G71 Q72	N12-Y74 PolarHBondContact O-OH 2.84Å; Q16-Y74 HydrophobicContact CG-CE1 4.34Å; V19-Y74 HydrophobicContact CB-CD1 4.06Å; V19-Y74 HydrophobicContact CB-CE1 4.21Å; V19-Y74 HydrophobicContact CG1-CD1 3.95Å; V19-Y74 HydrophobicContact CG2-CD1 3.75Å; V19-Y74 HydrophobicContact CG2-CE1 3.62Å; K70-Y74 PolarHBondContact O-N 3.19Å; K70-Y74 VanDerWaalsContact O-N 3.16Å; G71-Y74 WeakPolarHBondContact O-CB 3.37Å; G71-Y74 PolarHBondContact O-N 3.37Å; Q72-Y74 VanDerWaalsContact C-N 3.3Å; Q72-Y74 PolarHBondContact O-N 3.37Å
75	L	70.7	Confident	56.1	Low	42 Å²	42	95.5 Å²	95.5	22%	0.22	54%	0.538	C	S	.	.	H	α-helix	trans	-73.6	-22.9	179.7	-69.4	173	0	0	0	114.2	Q16 V19 C20 L23 G71 Q72	Q16-L75 HydrophobicContact CB-CD2 4.23Å; V19-L75 HydrophobicContact CB-CD2 4.4Å; V19-L75 HydrophobicContact CG1-CD1 4.49Å; V19-L75 HydrophobicContact CG1-CD2 4.27Å; V19-L75 HydrophobicContact CG1-CG 4.16Å; C20-L75 VanDerWaalsContact SG-CD2 3.53Å; L23-L75 HydrophobicContact CD1-CD1 3.59Å; G71-L75 WeakPolarHBondContact O-CG 3.38Å; G71-L75 PolarHBondContact O-N 3.48Å; Q72-L75 PolarHBondContact O-N 3.36Å
76	H	65.2	Low	54.1	Low	150 Å²	150	101.2 Å²	101.2	69%	0.694	56%	0.558	S	S	*	*	H	α-helix	trans	-106.4	-9.6	-171.1	-66.3	-25.6	0	0	0	116	Q72	Q72-H76 WeakPolarHBondContact O-CB 3.41Å; Q72-H76 PolarHBondContact O-CD2 2.96Å; Q72-H76 PolarHBondContact O-N 2.97Å
77	G	52.5	Low	52.2	Low	58 Å²	58	106.3 Å²	106.3	60%	0.598	59%	0.585	S	S	*	*			trans	63.6	144.3	177.4	0	0	0	0	0	114.2	R73	R73-G77 PolarHBondContact O-N 2.9Å
78	S	35.5	Very low	50.1	Low	111 Å²	111	112 Å²	112	78%	0.776	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-82.2	141	175.1	-164.2	0	0	0	0	110.5	K80	S78-K80 PolarHBondContact O-N 3.42Å
79	P	31.5	Very low	47.9	Very low	125 Å²	125	111.7 Å²	111.7	81%	0.812	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-67.3	132.2	178.6	-10.7	25.1	0	0	0	111
80	K	31.4	Very low	46	Very low	203 Å²	203	115.1 Å²	115.1	88%	0.883	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-90.9	142.9	175.9	-71.9	-178.6	177.6	178.3	0	111.3	S78	S78-K80 PolarHBondContact O-N 3.42Å
81	T	30.9	Very low	44.1	Very low	142 Å²	142	115.2 Å²	115.2	87%	0.871	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-80.5	139.4	174.8	-5.2	0	0	0	0	112.9
82	T	29.8	Very low	41.9	Very low	142 Å²	142	121.5 Å²	121.5	87%	0.871	73%	0.734	S	S	*	*			trans	-163.3	149	162.9	40.3	0	0	0	0	107.5
83	A	28.2	Very low	40.1	Very low	98 Å²	98	125 Å²	125	81%	0.81	76%	0.756	S	S	*	*			cis	-167.6	163	-2	0	0	0	0	0	109.1
84	T	30.7	Very low	38.3	Very low	135 Å²	135	125.4 Å²	125.4	83%	0.828	77%	0.769	S	S	*	*			trans	-89.6	179.4	165.3	27.7	0	0	0	0	111.8
85	P	41.3	Very low	36.4	Very low	115 Å²	115	127.3 Å²	127.3	75%	0.747	79%	0.79	S	S	*	*			cis	-132.6	179.3	-31.5	35.7	-17.4	0	0	0	112.7
86	E	32.7	Very low	34.8	Very low	204 Å²	204	134.1 Å²	134.1	95%	0.953	82%	0.818	S	S	*	*			trans	-160.1	141	157.4	-115.9	172.6	-150.5	0	0	113.2
87	L	33.6	Very low	33.4	Very low	175 Å²	175	138.8 Å²	138.8	92%	0.916	83%	0.83	S	S	*	*			trans	-121.7	130.4	-176.9	-114.4	148.6	0	0	0	108.5
88	S	32.6	Very low	33.2	Very low	123 Å²	123	142.2 Å²	142.2	86%	0.86	84%	0.835	S	S	*	*			trans	-153.8	130.1	155.3	64.5	0	0	0	0	115
89	A	30.8	Very low	33.9	Very low	102 Å²	102	143 Å²	143	84%	0.843	83%	0.829	S	S	*	*			trans	9	129.3	159.6	0	0	0	0	0	124.4
90	A	32.2	Very low	34.9	Very low	106 Å²	106	140.3 Å²	140.3	88%	0.876	81%	0.812	S	S	*	*				176.3	121.3	118.6	0	0	0	0	0	114.4
91	G	31.7	Very low	36.1	Very low	69 Å²	69	139.9 Å²	139.9	71%	0.711	81%	0.81	S	S	*	*			trans	88.7	125.3	152.5	0	0	0	0	0	119.3	N93	G91-N93 PolarHBondContact O-N 2.89Å; G91-N93 VanDerWaalsContact O-N 3.17Å
92	P	29	Very low	37.8	Very low	134 Å²	134	136.9 Å²	136.9	87%	0.87	79%	0.785	S	S	*	*			trans	-81.3	102.8	-174.5	33.6	-30.7	0	0	0	110.9
93	N	32.8	Very low	39.5	Very low	153 Å²	153	133.7 Å²	133.7	82%	0.818	77%	0.769	S	S	*	*			trans	-110.3	122.2	155.2	-82.2	-42.2	0	0	0	107	G91 P95	G91-N93 PolarHBondContact O-N 2.89Å; G91-N93 VanDerWaalsContact O-N 3.17Å; N93-P95 VanDerWaalsContact O-N 3.12Å
94	L	29.5	Very low	40.7	Very low	171 Å²	171	131.1 Å²	131.1	90%	0.895	75%	0.752	S	S	*	*			trans	-49.6	122.2	172.1	-84.7	160.9	0	0	0	108.1	K96	L94-K96 PolarHBondContact O-N 3.28Å
95	P	32.8	Very low	42.2	Very low	115 Å²	115	128 Å²	128	75%	0.747	73%	0.73	S	S	*	*			trans	-59	126.6	179.8	21.1	-29.4	0	0	0	108.4	N93 W97	N93-P95 VanDerWaalsContact O-N 3.12Å; P95-W97 PolarHBondContact O-N 2.92Å
96	K	36.4	Very low	43.1	Very low	185 Å²	185	128 Å²	128	80%	0.804	73%	0.727	S	S	*	*			trans	-64.3	100.4	172.4	-161.8	178.3	-172.9	179.5	0	107.1	L94 N98	L94-K96 PolarHBondContact O-N 3.28Å; K96-N98 PolarHBondContact O-N 3.14Å
97	W	36.5	Very low	44.3	Very low	248 Å²	248	125.2 Å²	125.2	94%	0.939	72%	0.718	S	S	*	*			trans	-71	101.8	-178.6	-137.9	-10.2	0	0	0	108.5	P95 L99	P95-W97 PolarHBondContact O-N 2.92Å; W97-L99 PolarHBondContact O-N 3.31Å
98	N	46.9	Very low	45.7	Very low	131 Å²	131	121.6 Å²	121.6	70%	0.701	70%	0.697	S	S	*	*			trans	-86.9	104.7	171.9	-72.6	-42.7	0	0	0	107.6	K96 P100	K96-N98 PolarHBondContact O-N 3.14Å; N98-P100 WeakPolarHBondContact O-CD 3.09Å
99	L	50	Low	47.1	Very low	126 Å²	126	119.2 Å²	119.2	66%	0.66	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-56.6	128.7	166.6	-77.1	160.9	0	0	0	109	W97 K101	W97-L99 PolarHBondContact O-N 3.31Å; L99-K101 PolarHBondContact O-N 3Å; L99-K101 VanDerWaalsContact O-N 3.17Å
100	P	52.9	Low	48.5	Very low	69 Å²	69	119.7 Å²	119.7	45%	0.448	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-49.8	121	169.9	-28.9	35.7	0	0	0	110.3	N98 F112	N98-P100 WeakPolarHBondContact O-CD 3.09Å; P100-F112 WeakPolarHBondContact O-CE2 3.34Å
101	K	56.5	Low	49.8	Very low	194 Å²	194	117.6 Å²	117.6	84%	0.843	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-81.3	126.9	172.7	-70.8	-178.5	179.4	179	0	107.5	L99 S103	L99-K101 PolarHBondContact O-N 3Å; L99-K101 VanDerWaalsContact O-N 3.17Å; K101-S103 PolarHBondContact O-N 3.24Å
102	F	66.1	Low	51.4	Low	79 Å²	79	116.2 Å²	116.2	35%	0.346	61%	0.613	S	S	.	*			trans	-53.7	115	169.8	-176.3	-124.2	0	0	0	109.4	G104 D105 F109 F112	F102-G104 PolarHBondContact O-N 2.96Å; F102-D105 VanDerWaalsContact CE2-O 3.25Å; F102-D105 WeakPolarHBondContact CE2-O 3.33Å; F102-F109 HydrophobicContact CD2-CD2 4.48Å; F102-F109 HydrophobicContact CE2-CB 4.01Å; F102-F109 AromaticContact CE2-CD2 3.89Å; F102-F109 HydrophobicContact CE2-CD2 3.89Å; F102-F109 HydrophobicContact CE2-CG 4.47Å; F102-F109 HydrophobicContact CZ-CD2 4.04Å; F102-F112 HydrophobicContact CB-CD1 3.91Å; F102-F112 HydrophobicContact CB-CD2 3.75Å; F102-F112 HydrophobicContact CB-CE1 3.83Å; F102-F112 HydrophobicContact CB-CE2 3.66Å; F102-F112 HydrophobicContact CB-CG 3.87Å; F102-F112 HydrophobicContact CB-CZ 3.71Å; F102-F112 HydrophobicContact CD2-CB 4.13Å; F102-F112 AromaticContact CD2-CD1 3.9Å; F102-F112 HydrophobicContact CD2-CD1 3.9Å; F102-F112 AromaticContact CD2-CG 3.96Å; F102-F112 HydrophobicContact CD2-CG 3.96Å; F102-F112 HydrophobicContact CG-CD1 4.07Å; F102-F112 HydrophobicContact CG-CE1 4.23Å; F102-F112 HydrophobicContact CG-CG 4.28Å
103	S	66.4	Low	53	Low	76 Å²	76	114.9 Å²	114.9	53%	0.531	59%	0.59	S	S	.	*			trans	-71.5	-13.2	-175.5	53.4	0	0	0	0	112.6	K101 D105 E108	K101-S103 PolarHBondContact O-N 3.24Å; S103-D105 VanDerWaalsContact C-N 3.29Å; S103-D105 WeakPolarHBondContact OG-CB 3.37Å; S103-D105 PolarHBondContact OG-N 3.36Å; S103-E108 PolarHBondContact OG-OE2 2.96Å
104	G	53.5	Low	54.5	Low	43 Å²	43	112 Å²	112	44%	0.443	58%	0.575	S	S	.	*	S	Bend	trans	87.9	-3.1	-166.4	0	0	0	0	0	112.8	F102	F102-G104 PolarHBondContact O-N 2.96Å
105	D	62.6	Low	56	Low	71 Å²	71	107.8 Å²	107.8	38%	0.38	55%	0.551	S	S	.	*			trans	-80.1	115	172.7	-168.8	-15.9	0	0	0	110.3	F102 S103 L107 E108 F109	F102-D105 VanDerWaalsContact CE2-O 3.25Å; F102-D105 WeakPolarHBondContact CE2-O 3.33Å; S103-D105 VanDerWaalsContact C-N 3.29Å; S103-D105 WeakPolarHBondContact OG-CB 3.37Å; S103-D105 PolarHBondContact OG-N 3.36Å; D105-L107 PolarHBondContact O-N 3.37Å; D105-L107 WeakPolarHBondContact OD1-CB 3.38Å; D105-L107 PolarHBondContact OD1-N 2.83Å; D105-E108 HydrophobicContact CB-CB 4.47Å; D105-E108 HydrophobicContact CB-CG 4.3Å; D105-E108 PolarHBondContact O-N 3.46Å; D105-E108 VanDerWaalsContact O-N 3.09Å; D105-F109 PolarHBondContact O-N 2.69Å
106	V	60.7	Low	57.2	Low	113 Å²	113	106.4 Å²	106.4	69%	0.685	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-64.7	-22.1	-179	86.3	0	0	0	0	112.5	E108 F109	V106-E108 VanDerWaalsContact C-N 3.28Å; V106-F109 WeakPolarHBondContact O-CB 3.42Å; V106-F109 PolarHBondContact O-N 2.9Å
107	L	57.3	Low	58	Low	147 Å²	147	100.8 Å²	100.8	77%	0.77	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-73.1	-24	176.5	-60.5	176.7	0	0	0	112.3	D105 F109	D105-L107 PolarHBondContact O-N 3.37Å; D105-L107 WeakPolarHBondContact OD1-CB 3.38Å; D105-L107 PolarHBondContact OD1-N 2.83Å; L107-F109 VanDerWaalsContact C-N 3.34Å
108	E	63.1	Low	58.8	Low	98 Å²	98	91.8 Å²	91.8	46%	0.458	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-92.1	1.7	172	-60.9	-166.6	151.6	0	0	111.9	S103 D105 V106 S111 F112	S103-E108 PolarHBondContact OG-OE2 2.96Å; D105-E108 HydrophobicContact CB-CB 4.47Å; D105-E108 HydrophobicContact CB-CG 4.3Å; D105-E108 PolarHBondContact O-N 3.46Å; D105-E108 VanDerWaalsContact O-N 3.09Å; V106-E108 VanDerWaalsContact C-N 3.28Å; E108-S111 PolarHBondContact O-N 3.21Å; E108-S111 PolarHBondContact O-OG 3.18Å; E108-S111 VanDerWaalsContact O-OG 3.09Å; E108-F112 WeakPolarHBondContact O-CB 3.39Å; E108-F112 PolarHBondContact O-N 3.47Å
109	F	62.5	Low	59.6	Low	74 Å²	74	93.3 Å²	93.3	33%	0.325	49%	0.491	S	S	.	.	H	α-helix	trans	-62.7	-46	-179.6	-176.2	-102.2	0	0	0	111.3	F102 D105 V106 L107 S111 F112 W113	F102-F109 HydrophobicContact CD2-CD2 4.48Å; F102-F109 HydrophobicContact CE2-CB 4.01Å; F102-F109 AromaticContact CE2-CD2 3.89Å; F102-F109 HydrophobicContact CE2-CD2 3.89Å; F102-F109 HydrophobicContact CE2-CG 4.47Å; F102-F109 HydrophobicContact CZ-CD2 4.04Å; D105-F109 PolarHBondContact O-N 2.69Å; V106-F109 WeakPolarHBondContact O-CB 3.42Å; V106-F109 PolarHBondContact O-N 2.9Å; L107-F109 VanDerWaalsContact C-N 3.34Å; F109-S111 PolarHBondContact O-N 3.17Å; F109-F112 HydrophobicContact CD2-CD1 4.43Å; F109-F112 CarbonylContact O-C 3.41Å; F109-F112 PolarHBondContact O-N 2.86Å; F109-W113 HydrophobicContact CD1-CB 4.37Å; F109-W113 HydrophobicContact CE1-CB 4.16Å; F109-W113 HydrophobicContact CE1-CD2 4.06Å; F109-W113 HydrophobicContact CE1-CE3 4.2Å; F109-W113 HydrophobicContact CE1-CG 4.06Å; F109-W113 HydrophobicContact CE2-CE3 4.05Å; F109-W113 HydrophobicContact CZ-CB 4.4Å; F109-W113 AromaticContact CZ-CD2 3.84Å; F109-W113 HydrophobicContact CZ-CD2 3.84Å; F109-W113 AromaticContact CZ-CE3 3.5Å; F109-W113 HydrophobicContact CZ-CE3 3.5Å; F109-W113 VanDerWaalsContact CZ-CE3 3.5Å; F109-W113 HydrophobicContact CZ-CG 4.24Å; F109-W113 HydrophobicContact CZ-CZ3 4.09Å; F109-W113 WeakPolarHBondContact O-CA 3.37Å; F109-W113 WeakPolarHBondContact O-CB 3.32Å; F109-W113 PolarHBondContact O-N 3.45Å
110	N	58.4	Low	60.3	Low	112 Å²	112	88 Å²	88	60%	0.599	47%	0.466	S	S	*	.	H	α-helix	trans	-62.1	-44.6	178.1	-73.3	-14.9	0	0	0	111.3	F112 W113 D114	N110-F112 VanDerWaalsContact C-N 3.32Å; N110-F112 PolarHBondContact O-N 3.27Å; N110-W113 PolarHBondContact O-N 2.86Å; N110-D114 VanDerWaalsContact O-CB 3.27Å; N110-D114 WeakPolarHBondContact O-CB 3.26Å; N110-D114 PolarHBondContact O-N 3.05Å
111	S	61	Low	61.2	Low	62 Å²	62	86.2 Å²	86.2	43%	0.434	45%	0.453	S	S	.	.	H	α-helix	trans	-68.2	-30.4	178.1	74.2	0	0	0	0	113.2	E108 F109 Q115	E108-S111 PolarHBondContact O-N 3.21Å; E108-S111 PolarHBondContact O-OG 3.18Å; E108-S111 VanDerWaalsContact O-OG 3.09Å; F109-S111 PolarHBondContact O-N 3.17Å; S111-Q115 WeakPolarHBondContact O-CG 3.48Å; S111-Q115 PolarHBondContact O-NE2 3.3Å
112	F	64	Low	61.5	Low	40 Å²	40	83.6 Å²	83.6	18%	0.175	45%	0.449	C	S	.	.	H	α-helix	trans	-71.1	-40.5	171	170.1	-102	0	0	0	111.9	P100 F102 E108 F109 N110 Q115 F116	P100-F112 WeakPolarHBondContact O-CE2 3.34Å; F102-F112 HydrophobicContact CB-CD1 3.91Å; F102-F112 HydrophobicContact CB-CD2 3.75Å; F102-F112 HydrophobicContact CB-CE1 3.83Å; F102-F112 HydrophobicContact CB-CE2 3.66Å; F102-F112 HydrophobicContact CB-CG 3.87Å; F102-F112 HydrophobicContact CB-CZ 3.71Å; F102-F112 HydrophobicContact CD2-CB 4.13Å; F102-F112 AromaticContact CD2-CD1 3.9Å; F102-F112 HydrophobicContact CD2-CD1 3.9Å; F102-F112 AromaticContact CD2-CG 3.96Å; F102-F112 HydrophobicContact CD2-CG 3.96Å; F102-F112 HydrophobicContact CG-CD1 4.07Å; F102-F112 HydrophobicContact CG-CE1 4.23Å; F102-F112 HydrophobicContact CG-CG 4.28Å; E108-F112 WeakPolarHBondContact O-CB 3.39Å; E108-F112 PolarHBondContact O-N 3.47Å; F109-F112 HydrophobicContact CD2-CD1 4.43Å; F109-F112 CarbonylContact O-C 3.41Å; F109-F112 PolarHBondContact O-N 2.86Å; N110-F112 VanDerWaalsContact C-N 3.32Å; N110-F112 PolarHBondContact O-N 3.27Å; F112-Q115 WeakPolarHBondContact O-CB 3.33Å; F112-F116 HydrophobicContact CD1-CE2 4.45Å; F112-F116 HydrophobicContact CD2-CE2 4.14Å; F112-F116 AromaticContact CE1-CE2 3.94Å; F112-F116 HydrophobicContact CE1-CE2 3.94Å; F112-F116 AromaticContact CE2-CE2 3.6Å; F112-F116 HydrophobicContact CE2-CE2 3.6Å; F112-F116 HydrophobicContact CE2-CZ 4.15Å; F112-F116 HydrophobicContact CZ-CD2 4.44Å; F112-F116 AromaticContact CZ-CE2 3.48Å; F112-F116 HydrophobicContact CZ-CE2 3.48Å; F112-F116 VanDerWaalsContact CZ-CE2 3.48Å; F112-F116 HydrophobicContact CZ-CZ 4.06Å; F112-F116 VanDerWaalsContact O-CD2 3.25Å; F112-F116 WeakPolarHBondContact O-CD2 3.49Å; F112-F116 WeakPolarHBondContact O-CE2 3.19Å
113	W	63.6	Low	61.7	Low	105 Å²	105	83.4 Å²	83.4	40%	0.398	47%	0.469	S	S	.	.	H	α-helix	trans	-74.6	-38	-177.4	-170	-104	0	0	0	112.2	F109 N110 Q115 F116 E117	F109-W113 HydrophobicContact CD1-CB 4.37Å; F109-W113 HydrophobicContact CE1-CB 4.16Å; F109-W113 HydrophobicContact CE1-CD2 4.06Å; F109-W113 HydrophobicContact CE1-CE3 4.2Å; F109-W113 HydrophobicContact CE1-CG 4.06Å; F109-W113 HydrophobicContact CE2-CE3 4.05Å; F109-W113 HydrophobicContact CZ-CB 4.4Å; F109-W113 AromaticContact CZ-CD2 3.84Å; F109-W113 HydrophobicContact CZ-CD2 3.84Å; F109-W113 AromaticContact CZ-CE3 3.5Å; F109-W113 HydrophobicContact CZ-CE3 3.5Å; F109-W113 VanDerWaalsContact CZ-CE3 3.5Å; F109-W113 HydrophobicContact CZ-CG 4.24Å; F109-W113 HydrophobicContact CZ-CZ3 4.09Å; F109-W113 WeakPolarHBondContact O-CA 3.37Å; F109-W113 WeakPolarHBondContact O-CB 3.32Å; F109-W113 PolarHBondContact O-N 3.45Å; N110-W113 PolarHBondContact O-N 2.86Å; W113-Q115 PolarHBondContact O-N 2.95Å; W113-Q115 VanDerWaalsContact O-N 3.08Å; W113-F116 PolarHBondContact O-N 2.87Å; W113-E117 PolarHBondContact NE1-OE1 2.91Å; W113-E117 PolarHBondContact NE1-OE2 3.36Å; W113-E117 PolarHBondContact O-N 3.31Å
114	D	63.2	Low	62.1	Low	93 Å²	93	82.7 Å²	82.7	50%	0.497	46%	0.456	S	S	.	.	H	α-helix	trans	-55.4	-27.3	174.1	-72.4	-19.9	0	0	0	112	N110 F116 A118	N110-D114 VanDerWaalsContact O-CB 3.27Å; N110-D114 WeakPolarHBondContact O-CB 3.26Å; N110-D114 PolarHBondContact O-N 3.05Å; D114-F116 VanDerWaalsContact C-N 3.28Å; D114-F116 PolarHBondContact O-N 3.25Å; D114-A118 PolarHBondContact O-N 3.37Å
115	Q	61	Low	63	Low	82 Å²	82	88 Å²	88	38%	0.383	47%	0.469	S	S	.	.	H	α-helix	trans	-73.1	-19.9	177.3	-58.9	163.7	35.7	0	0	113.2	S111 F112 W113	S111-Q115 WeakPolarHBondContact O-CG 3.48Å; S111-Q115 PolarHBondContact O-NE2 3.3Å; F112-Q115 WeakPolarHBondContact O-CB 3.33Å; W113-Q115 PolarHBondContact O-N 2.95Å; W113-Q115 VanDerWaalsContact O-N 3.08Å
116	F	58.9	Low	63.3	Low	87 Å²	87	92.1 Å²	92.1	38%	0.382	50%	0.497	S	S	.	.	H	α-helix	trans	-103.5	-28.7	176.7	-61.9	-82.8	0	0	0	112.1	F112 W113 D114	F112-F116 HydrophobicContact CD1-CE2 4.45Å; F112-F116 HydrophobicContact CD2-CE2 4.14Å; F112-F116 AromaticContact CE1-CE2 3.94Å; F112-F116 HydrophobicContact CE1-CE2 3.94Å; F112-F116 AromaticContact CE2-CE2 3.6Å; F112-F116 HydrophobicContact CE2-CE2 3.6Å; F112-F116 HydrophobicContact CE2-CZ 4.15Å; F112-F116 HydrophobicContact CZ-CD2 4.44Å; F112-F116 AromaticContact CZ-CE2 3.48Å; F112-F116 HydrophobicContact CZ-CE2 3.48Å; F112-F116 VanDerWaalsContact CZ-CE2 3.48Å; F112-F116 HydrophobicContact CZ-CZ 4.06Å; F112-F116 VanDerWaalsContact O-CD2 3.25Å; F112-F116 WeakPolarHBondContact O-CD2 3.49Å; F112-F116 WeakPolarHBondContact O-CE2 3.19Å; W113-F116 PolarHBondContact O-N 2.87Å; D114-F116 VanDerWaalsContact C-N 3.28Å; D114-F116 PolarHBondContact O-N 3.25Å
117	E	54.1	Low	63.6	Low	67 Å²	67	90.2 Å²	90.2	31%	0.313	49%	0.485	S	S	.	.	H	α-helix	trans	-78.2	-33.1	-177.3	-92.2	-169.5	162.2	0	0	114.4	W113 E119 V121	W113-E117 PolarHBondContact NE1-OE1 2.91Å; W113-E117 PolarHBondContact NE1-OE2 3.36Å; W113-E117 PolarHBondContact O-N 3.31Å; E117-E119 VanDerWaalsContact C-N 3.29Å; E117-E119 PolarHBondContact O-N 3.23Å; E117-E119 VanDerWaalsContact O-N 3.13Å; E117-V121 VanDerWaalsContact O-CG2 3.29Å; E117-V121 WeakPolarHBondContact O-CG2 3.07Å
118	A	53.3	Low	64	Low	59 Å²	59	90.4 Å²	90.4	49%	0.488	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.9	-169.1	0	0	0	0	0	115.7	D114 D122	D114-A118 PolarHBondContact O-N 3.37Å; A118-D122 WeakPolarHBondContact O-CB 3.48Å; A118-D122 VanDerWaalsContact O-CG 3.22Å
119	E	62.6	Low	64.5	Low	163 Å²	163	89.4 Å²	89.4	76%	0.762	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-25.8	-178.6	-80.4	-172.6	170.4	0	0	114.7	E117	E117-E119 VanDerWaalsContact C-N 3.29Å; E117-E119 PolarHBondContact O-N 3.23Å; E117-E119 VanDerWaalsContact O-N 3.13Å
120	A	65	Low	65.3	Low	15 Å²	15	88 Å²	88	12%	0.124	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-25.8	-172.1	0	0	0	0	0	113.3	R141 F142	A120-R141 VanDerWaalsContact CA-NH1 3.29Å; A120-R141 VanDerWaalsContact CB-NH1 3.31Å; A120-F142 HydrophobicContact CB-CE2 4.03Å; A120-F142 HydrophobicContact CB-CZ 4.33Å
121	V	71	Confident	65.8	Low	30 Å²	30	90 Å²	90	18%	0.182	49%	0.492	C	S	.	.	S	Bend	trans	-127.1	6.1	-173.1	-63.2	0	0	0	0	113.2	E117 G123 F124 V134 L138	E117-V121 VanDerWaalsContact O-CG2 3.29Å; E117-V121 WeakPolarHBondContact O-CG2 3.07Å; V121-G123 PolarHBondContact O-N 3.22Å; V121-F124 HydrophobicContact CB-CD2 3.97Å; V121-F124 HydrophobicContact CG1-CD2 4.23Å; V121-F124 HydrophobicContact CG1-CE2 4.48Å; V121-F124 PolarHBondContact O-N 2.86Å; V121-V134 HydrophobicContact CG1-CG1 3.91Å; V121-L138 HydrophobicContact CG1-CD2 3.98Å; V121-L138 HydrophobicContact CG1-CG 4.12Å
122	D	64	Low	66.6	Low	140 Å²	140	90.8 Å²	90.8	75%	0.749	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.6	-179.2	-147	23.1	0	0	0	113.7	A118	A118-D122 WeakPolarHBondContact O-CB 3.48Å; A118-D122 VanDerWaalsContact O-CG 3.22Å
123	G	69.7	Low	67.4	Low	74 Å²	74	91.8 Å²	91.8	76%	0.763	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.2	178	0	0	0	0	0	115.4	V121	V121-G123 PolarHBondContact O-N 3.22Å
124	F	73.9	Confident	68	Low	62 Å²	62	88.3 Å²	88.3	27%	0.272	50%	0.495	S	S	.	.			trans	-95.7	122.5	-178.6	-66.6	-77	0	0	0	111.7	V121 N130 V133 V134 T137	V121-F124 HydrophobicContact CB-CD2 3.97Å; V121-F124 HydrophobicContact CG1-CD2 4.23Å; V121-F124 HydrophobicContact CG1-CE2 4.48Å; V121-F124 PolarHBondContact O-N 2.86Å; F124-N130 HydrophobicContact CD1-CB 4.27Å; F124-V133 HydrophobicContact CE1-CB 3.91Å; F124-V133 HydrophobicContact CE1-CG1 3.44Å; F124-V133 VanDerWaalsContact CE1-CG1 3.44Å; F124-V133 HydrophobicContact CZ-CB 4.43Å; F124-V133 HydrophobicContact CZ-CG1 3.72Å; F124-V134 HydrophobicContact CB-CG2 3.7Å; F124-V134 HydrophobicContact CD1-CG2 4.03Å; F124-V134 HydrophobicContact CD2-CG2 3.67Å; F124-V134 HydrophobicContact CE2-CG2 4.29Å; F124-V134 HydrophobicContact CG-CG2 3.52Å; F124-T137 HydrophobicContact CE2-CG2 4.31Å; F124-T137 WeakPolarHBondContact CZ-OG1 3.23Å
125	H	72.7	Confident	68.6	Low	153 Å²	153	85.7 Å²	85.7	71%	0.708	48%	0.482	S	S	*	.			trans	-66	141.8	165.7	-71.1	-66.1	0	0	0	111.1	T127 N130	H125-T127 HydrophobicContact CB-CG2 4.21Å; H125-T127 PolarHBondContact O-N 3.4Å; H125-N130 PolarHBondContact N-ND2 3.03Å; H125-N130 PolarHBondContact O-ND2 3.46Å
126	V	70	Confident	69.5	Low	159 Å²	159	87.3 Å²	87.3	96%	0.964	49%	0.49	S	S	*	.	S	Bend	trans	-70.4	89.8	178	-174	0	0	0	0	110
127	T	67	Low	70.5	Confident	72 Å²	72	84.9 Å²	84.9	44%	0.442	48%	0.482	S	S	.	.			trans	-140.2	153.4	179	70.3	0	0	0	0	110.7	H125 A129 N130 Y131	H125-T127 HydrophobicContact CB-CG2 4.21Å; H125-T127 PolarHBondContact O-N 3.4Å; T127-A129 PolarHBondContact O-N 2.77Å; T127-N130 PolarHBondContact O-N 3.09Å; T127-N130 VanDerWaalsContact O-N 3.1Å; T127-N130 VanDerWaalsContact OG1-CG 3.29Å; T127-N130 PolarHBondContact OG1-N 3.14Å; T127-N130 PolarHBondContact OG1-ND2 3.15Å; T127-Y131 PolarHBondContact O-N 3.07Å
128	N	65.6	Low	71.4	Confident	151 Å²	151	83.7 Å²	83.7	81%	0.807	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.7	176.7	-164.6	29.2	0	0	0	112.3	N130	N128-N130 VanDerWaalsContact C-N 3.33Å
129	A	73.8	Confident	72.4	Confident	78 Å²	78	89.6 Å²	89.6	65%	0.645	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-31	176.8	0	0	0	0	0	112.8	T127 P132	T127-A129 PolarHBondContact O-N 2.77Å; A129-P132 WeakPolarHBondContact O-CD 2.91Å
130	N	78.4	Confident	72.9	Confident	43 Å²	43	88.5 Å²	88.5	23%	0.23	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-17.8	-179	-69.8	-15.8	0	0	0	113.3	F124 H125 T127 N128 V133 V134	F124-N130 HydrophobicContact CD1-CB 4.27Å; H125-N130 PolarHBondContact N-ND2 3.03Å; H125-N130 PolarHBondContact O-ND2 3.46Å; T127-N130 PolarHBondContact O-N 3.09Å; T127-N130 VanDerWaalsContact O-N 3.1Å; T127-N130 VanDerWaalsContact OG1-CG 3.29Å; T127-N130 PolarHBondContact OG1-N 3.14Å; T127-N130 PolarHBondContact OG1-ND2 3.15Å; N128-N130 VanDerWaalsContact C-N 3.33Å; N130-V133 PolarHBondContact O-N 3.36Å; N130-V133 VanDerWaalsContact O-N 3.1Å; N130-V134 WeakPolarHBondContact O-CG2 3.39Å; N130-V134 PolarHBondContact O-N 3.23Å
131	Y	69.9	Low	73.2	Confident	156 Å²	156	93 Å²	93	61%	0.612	50%	0.496	S	S	*	.	H	α-helix	trans	-53.4	-47.4	-179	179.7	-97.2	0	0	0	113.8	T127 V133 V134 V135	T127-Y131 PolarHBondContact O-N 3.07Å; Y131-V133 VanDerWaalsContact C-N 3.31Å; Y131-V133 PolarHBondContact O-N 3.1Å; Y131-V134 PolarHBondContact O-N 3.21Å; Y131-V135 HydrophobicContact CD1-CG2 4.32Å; Y131-V135 HydrophobicContact CD2-CG2 4.47Å; Y131-V135 HydrophobicContact CE1-CG2 3.9Å; Y131-V135 HydrophobicContact CE2-CG2 4.07Å; Y131-V135 WeakPolarHBondContact O-CG2 3.4Å; Y131-V135 PolarHBondContact O-N 2.85Å
132	P	77.9	Confident	73.2	Confident	78 Å²	78	96.2 Å²	96.2	51%	0.506	51%	0.507	S	S	.	.	H	α-helix	trans	-60.9	-40.8	177.3	-18.5	31	0	0	0	112.4	A129 V135 E136	A129-P132 WeakPolarHBondContact O-CD 2.91Å; P132-V135 PolarHBondContact O-N 3.15Å; P132-E136 WeakPolarHBondContact O-CB 3.4Å; P132-E136 PolarHBondContact O-N 3.15Å
133	V	81.1	Confident	73.4	Confident	60 Å²	60	92.1 Å²	92.1	36%	0.364	50%	0.499	S	S	.	.	H	α-helix	trans	-69.9	-38.6	-177.9	-167.6	0	0	0	0	111.2	F124 N130 Y131 E136 T137	F124-V133 HydrophobicContact CE1-CB 3.91Å; F124-V133 HydrophobicContact CE1-CG1 3.44Å; F124-V133 VanDerWaalsContact CE1-CG1 3.44Å; F124-V133 HydrophobicContact CZ-CB 4.43Å; F124-V133 HydrophobicContact CZ-CG1 3.72Å; N130-V133 PolarHBondContact O-N 3.36Å; N130-V133 VanDerWaalsContact O-N 3.1Å; Y131-V133 VanDerWaalsContact C-N 3.31Å; Y131-V133 PolarHBondContact O-N 3.1Å; V133-E136 PolarHBondContact O-N 3.29Å; V133-T137 WeakPolarHBondContact O-CB 3.37Å; V133-T137 PolarHBondContact O-N 2.81Å; V133-T137 PolarHBondContact O-OG1 3.5Å
134	V	76	Confident	73.6	Confident	32 Å²	32	95.2 Å²	95.2	19%	0.194	49%	0.487	C	S	.	.	H	α-helix	trans	-62.3	-48	173.1	167.9	0	0	0	0	110.4	V121 F124 N130 Y131 E136 T137 L138	V121-V134 HydrophobicContact CG1-CG1 3.91Å; F124-V134 HydrophobicContact CB-CG2 3.7Å; F124-V134 HydrophobicContact CD1-CG2 4.03Å; F124-V134 HydrophobicContact CD2-CG2 3.67Å; F124-V134 HydrophobicContact CE2-CG2 4.29Å; F124-V134 HydrophobicContact CG-CG2 3.52Å; N130-V134 WeakPolarHBondContact O-CG2 3.39Å; N130-V134 PolarHBondContact O-N 3.23Å; Y131-V134 PolarHBondContact O-N 3.21Å; V134-E136 VanDerWaalsContact C-N 3.31Å; V134-E136 PolarHBondContact O-N 2.83Å; V134-T137 PolarHBondContact O-N 2.83Å; V134-L138 HydrophobicContact CG1-CD1 3.94Å; V134-L138 HydrophobicContact CG1-CG 4.46Å; V134-L138 WeakPolarHBondContact O-CB 3.04Å; V134-L138 VanDerWaalsContact O-CG 3.26Å; V134-L138 WeakPolarHBondContact O-CG 3.36Å; V134-L138 PolarHBondContact O-N 2.89Å
135	V	74.6	Confident	73.6	Confident	38 Å²	38	96.8 Å²	96.8	23%	0.23	50%	0.495	C	S	.	.	H	α-helix	trans	-60.5	-41.8	177.3	170.7	0	0	0	0	111.3	Y131 P132 R139	Y131-V135 HydrophobicContact CD1-CG2 4.32Å; Y131-V135 HydrophobicContact CD2-CG2 4.47Å; Y131-V135 HydrophobicContact CE1-CG2 3.9Å; Y131-V135 HydrophobicContact CE2-CG2 4.07Å; Y131-V135 WeakPolarHBondContact O-CG2 3.4Å; Y131-V135 PolarHBondContact O-N 2.85Å; P132-V135 PolarHBondContact O-N 3.15Å; V135-R139 WeakPolarHBondContact O-CB 3.33Å; V135-R139 WeakPolarHBondContact O-CG 3.48Å; V135-R139 PolarHBondContact O-N 3.31Å
136	E	80.7	Confident	73.8	Confident	117 Å²	117	93.7 Å²	93.7	55%	0.547	49%	0.491	S	S	.	.	H	α-helix	trans	-64.1	-48.8	176.4	-171.9	162	-139	0	0	111.7	P132 V133 V134 L138 R139 E140	P132-E136 WeakPolarHBondContact O-CB 3.4Å; P132-E136 PolarHBondContact O-N 3.15Å; V133-E136 PolarHBondContact O-N 3.29Å; V134-E136 VanDerWaalsContact C-N 3.31Å; V134-E136 PolarHBondContact O-N 2.83Å; E136-L138 VanDerWaalsContact C-N 3.31Å; E136-L138 PolarHBondContact O-N 2.93Å; E136-R139 WeakPolarHBondContact O-CB 3.48Å; E136-R139 PolarHBondContact O-N 2.93Å; E136-R139 VanDerWaalsContact O-N 3.09Å; E136-E140 WeakPolarHBondContact O-CG 3.36Å; E136-E140 PolarHBondContact O-N 3.11Å
137	T	78.9	Confident	74.3	Confident	36 Å²	36	89.7 Å²	89.7	22%	0.221	46%	0.464	C	S	.	.	H	α-helix	trans	-57.2	-43.7	176.9	-56.6	0	0	0	0	111.8	F124 V133 V134 E140 R141	F124-T137 HydrophobicContact CE2-CG2 4.31Å; F124-T137 WeakPolarHBondContact CZ-OG1 3.23Å; V133-T137 WeakPolarHBondContact O-CB 3.37Å; V133-T137 PolarHBondContact O-N 2.81Å; V133-T137 PolarHBondContact O-OG1 3.5Å; V134-T137 PolarHBondContact O-N 2.83Å; T137-E140 PolarHBondContact O-N 3.06Å; T137-R141 WeakPolarHBondContact O-CB 3.49Å; T137-R141 PolarHBondContact O-N 2.92Å
138	L	74	Confident	75	Confident	42 Å²	42	88.7 Å²	88.7	22%	0.22	46%	0.458	C	S	.	.	H	α-helix	trans	-66.9	-40	177.2	-69.9	173.6	0	0	0	111.8	V121 V134 E136 F142	V121-L138 HydrophobicContact CG1-CD2 3.98Å; V121-L138 HydrophobicContact CG1-CG 4.12Å; V134-L138 HydrophobicContact CG1-CD1 3.94Å; V134-L138 HydrophobicContact CG1-CG 4.46Å; V134-L138 WeakPolarHBondContact O-CB 3.04Å; V134-L138 VanDerWaalsContact O-CG 3.26Å; V134-L138 WeakPolarHBondContact O-CG 3.36Å; V134-L138 PolarHBondContact O-N 2.89Å; E136-L138 VanDerWaalsContact C-N 3.31Å; E136-L138 PolarHBondContact O-N 2.93Å; L138-F142 HydrophobicContact CD2-CD2 3.86Å; L138-F142 HydrophobicContact CD2-CE2 3.76Å; L138-F142 WeakPolarHBondContact O-CB 3.37Å; L138-F142 PolarHBondContact O-N 2.86Å
139	R	74	Confident	75.8	Confident	183 Å²	183	82.1 Å²	82.1	69%	0.691	42%	0.423	S	S	*	.	H	α-helix	trans	-64.2	-41.2	174.4	-79.2	179.3	-176.6	174.8	3.6	111.9	V135 E136 G143	V135-R139 WeakPolarHBondContact O-CB 3.33Å; V135-R139 WeakPolarHBondContact O-CG 3.48Å; V135-R139 PolarHBondContact O-N 3.31Å; E136-R139 WeakPolarHBondContact O-CB 3.48Å; E136-R139 PolarHBondContact O-N 2.93Å; E136-R139 VanDerWaalsContact O-N 3.09Å; R139-G143 WeakPolarHBondContact O-CA 3.25Å; R139-G143 PolarHBondContact O-N 3.27Å
140	E	73.1	Confident	76.5	Confident	139 Å²	139	79.5 Å²	79.5	65%	0.65	40%	0.397	S	S	*	.	H	α-helix	trans	-65.9	-44	177.9	-72.8	-176.4	163.9	0	0	112.2	E136 T137	E136-E140 WeakPolarHBondContact O-CG 3.36Å; E136-E140 PolarHBondContact O-N 3.11Å; T137-E140 PolarHBondContact O-N 3.06Å
141	R	72	Confident	76.9	Confident	111 Å²	111	80.6 Å²	80.6	42%	0.419	41%	0.408	S	S	.	.	H	α-helix	trans	-75.3	-45.2	-177.7	-170	168.9	177.3	167.9	-5.1	112.3	A120 T137	A120-R141 VanDerWaalsContact CA-NH1 3.29Å; A120-R141 VanDerWaalsContact CB-NH1 3.31Å; T137-R141 WeakPolarHBondContact O-CB 3.49Å; T137-R141 PolarHBondContact O-N 2.92Å
142	F	70.1	Confident	77.8	Confident	96 Å²	96	74.5 Å²	74.5	42%	0.421	39%	0.385	S	S	.	.	H	α-helix	trans	-115	-16.7	-167.9	-55.8	-69.6	0	0	0	114.9	A120 L138 R144	A120-F142 HydrophobicContact CB-CE2 4.03Å; A120-F142 HydrophobicContact CB-CZ 4.33Å; L138-F142 HydrophobicContact CD2-CD2 3.86Å; L138-F142 HydrophobicContact CD2-CE2 3.76Å; L138-F142 WeakPolarHBondContact O-CB 3.37Å; L138-F142 PolarHBondContact O-N 2.86Å; F142-R144 PolarHBondContact O-N 2.94Å
143	G	67.4	Low	78.3	Confident	55 Å²	55	71.2 Å²	71.2	57%	0.567	36%	0.363	S	S	*	.			trans	-74	39.1	-178.3	0	0	0	0	0	115.2	R139 E145	R139-G143 WeakPolarHBondContact O-CA 3.25Å; R139-G143 PolarHBondContact O-N 3.27Å; G143-E145 PolarHBondContact O-N 3.3Å
144	R	73.7	Confident	78.7	Confident	138 Å²	138	69.7 Å²	69.7	52%	0.521	35%	0.353	S	S	.	.			trans	-88.1	80.3	-178.9	-62.9	-179.5	-175.9	-169.9	2.2	110.7	F142 S146 L147 V148	F142-R144 PolarHBondContact O-N 2.94Å; R144-S146 PolarHBondContact O-N 3.45Å; R144-S146 VanDerWaalsContact O-N 3.11Å; R144-L147 HydrophobicContact CB-CB 4.28Å; R144-L147 HydrophobicContact CB-CD1 3.93Å; R144-L147 HydrophobicContact CB-CG 4.22Å; R144-L147 HydrophobicContact CG-CD1 4.4Å; R144-L147 PolarHBondContact O-N 3.16Å; R144-V148 PolarHBondContact O-N 3.08Å
145	E	75	Confident	79.4	Confident	95 Å²	95	69.9 Å²	69.9	44%	0.444	36%	0.355	S	S	.	.	H	α-helix	trans	-45.6	-45.1	-177.3	-172.5	-179.4	150.8	0	0	113.3	G143 L147 V148 V149 I188 K190	G143-E145 PolarHBondContact O-N 3.3Å; E145-L147 PolarHBondContact O-N 3.02Å; E145-V148 PolarHBondContact O-N 3.04Å; E145-V149 HydrophobicContact CG-CG2 4.33Å; E145-V149 VanDerWaalsContact O-CG2 3.31Å; E145-V149 WeakPolarHBondContact O-CG2 3.38Å; E145-V149 PolarHBondContact O-N 3.17Å; E145-I188 HydrophobicContact CG-CG2 3.58Å; E145-K190 WeakPolarHBondContact OE1-CE 3.08Å; E145-K190 IonicContact OE1-NZ 2.73Å
146	S	77.2	Confident	80	Confident	88 Å²	88	70.6 Å²	70.6	62%	0.615	36%	0.358	S	S	*	.	H	α-helix	trans	-60.1	-39.7	-178.8	56.7	0	0	0	0	113.7	R144 E150	R144-S146 PolarHBondContact O-N 3.45Å; R144-S146 VanDerWaalsContact O-N 3.11Å; S146-E150 WeakPolarHBondContact O-CB 3.33Å; S146-E150 PolarHBondContact O-N 3.38Å
147	L	79.4	Confident	80.3	Confident	75 Å²	75	69.4 Å²	69.4	39%	0.393	36%	0.355	S	S	.	.	H	α-helix	trans	-71.8	-35.6	178.9	-69.5	177.6	0	0	0	111.7	R144 E145 S151	R144-L147 HydrophobicContact CB-CB 4.28Å; R144-L147 HydrophobicContact CB-CD1 3.93Å; R144-L147 HydrophobicContact CB-CG 4.22Å; R144-L147 HydrophobicContact CG-CD1 4.4Å; R144-L147 PolarHBondContact O-N 3.16Å; E145-L147 PolarHBondContact O-N 3.02Å; L147-S151 WeakPolarHBondContact O-CB 3.44Å; L147-S151 PolarHBondContact O-N 3.14Å
148	V	81.9	Confident	80.6	Confident	52 Å²	52	75 Å²	75	32%	0.315	38%	0.376	S	S	.	.	H	α-helix	trans	-68.8	-44.5	178	-173.6	0	0	0	0	110.1	R144 E145 S151 H152 I188	R144-V148 PolarHBondContact O-N 3.08Å; E145-V148 PolarHBondContact O-N 3.04Å; V148-S151 PolarHBondContact O-N 3.3Å; V148-H152 PolarHBondContact O-CD2 3.08Å; V148-H152 PolarHBondContact O-N 2.69Å; V148-H152 VanDerWaalsContact O-N 3.12Å; V148-I188 HydrophobicContact CB-CD1 4.06Å; V148-I188 HydrophobicContact CG1-CD1 3.29Å
149	V	83.6	Confident	81.1	Confident	13 Å²	13	75.6 Å²	75.6	8%	0.079	38%	0.379	C	S	.	.	H	α-helix	trans	-59.7	-47.9	174.1	172.7	0	0	0	0	111	E145 S151 H152 I153 L185 K190 L196	E145-V149 HydrophobicContact CG-CG2 4.33Å; E145-V149 VanDerWaalsContact O-CG2 3.31Å; E145-V149 WeakPolarHBondContact O-CG2 3.38Å; E145-V149 PolarHBondContact O-N 3.17Å; V149-S151 PolarHBondContact O-N 3.29Å; V149-H152 PolarHBondContact O-N 2.74Å; V149-I153 HydrophobicContact CG1-CD1 3.68Å; V149-I153 HydrophobicContact CG1-CG1 4.5Å; V149-I153 WeakPolarHBondContact O-CG1 3.32Å; V149-I153 PolarHBondContact O-N 2.76Å; V149-L185 HydrophobicContact CB-CD2 4.4Å; V149-L185 HydrophobicContact CG1-CD2 4.19Å; V149-L185 HydrophobicContact CG2-CD2 4.31Å; V149-K190 HydrophobicContact CG2-CB 4.44Å; V149-K190 HydrophobicContact CG2-CG 3.86Å; V149-L196 HydrophobicContact CG1-CD1 4.27Å
150	E	87.1	Confident	81	Confident	23 Å²	23	72.1 Å²	72.1	11%	0.107	38%	0.378	C	S	.	.	H	α-helix	trans	-57.9	-45.8	176.3	176.4	172.6	-175	0	0	112.2	S146 H152 I153 L154 V204 K207 Q208	S146-E150 WeakPolarHBondContact O-CB 3.33Å; S146-E150 PolarHBondContact O-N 3.38Å; E150-H152 VanDerWaalsContact C-N 3.34Å; E150-H152 PolarHBondContact O-N 3.13Å; E150-I153 PolarHBondContact O-N 3.44Å; E150-L154 HydrophobicContact CG-CD1 3.78Å; E150-L154 HydrophobicContact CG-CG 4.26Å; E150-L154 WeakPolarHBondContact O-CB 3.37Å; E150-L154 VanDerWaalsContact O-CG 3.29Å; E150-L154 WeakPolarHBondContact O-CG 3.45Å; E150-L154 PolarHBondContact O-N 3.37Å; E150-V204 HydrophobicContact CB-CG2 4.09Å; E150-V204 HydrophobicContact CG-CG1 3.97Å; E150-V204 HydrophobicContact CG-CG2 4.15Å; E150-K207 WeakPolarHBondContact OE1-CE 3.33Å; E150-K207 IonicContact OE1-NZ 3.7Å; E150-K207 PolarHBondContact OE1-NZ 3.24Å; E150-K207 IonicContact OE2-NZ 2.65Å; E150-K207 PolarHBondContact OE2-NZ 2.95Å; E150-Q208 PolarHBondContact OE1-NE2 2.97Å; E150-Q208 VanDerWaalsContact OE1-NE2 3.14Å
151	S	87.4	Confident	80.8	Confident	65 Å²	65	73.3 Å²	73.3	46%	0.455	38%	0.382	S	S	.	.	H	α-helix	trans	-59.6	-42.2	179.8	-176.5	0	0	0	0	112.5	L147 V148 V149 S155	L147-S151 WeakPolarHBondContact O-CB 3.44Å; L147-S151 PolarHBondContact O-N 3.14Å; V148-S151 PolarHBondContact O-N 3.3Å; V149-S151 PolarHBondContact O-N 3.29Å; S151-S155 VanDerWaalsContact O-CB 3.3Å; S151-S155 WeakPolarHBondContact O-CB 3.33Å; S151-S155 PolarHBondContact O-N 3.4Å; S151-S155 PolarHBondContact O-OG 3.24Å
152	H	89	Confident	80.3	Confident	29 Å²	29	71.6 Å²	71.6	13%	0.134	38%	0.378	C	S	.	.	H	α-helix	trans	-69.6	-42.5	177.5	-73.2	-46.8	0	0	0	112.7	V148 V149 E150 S155 L156 H181 A184 L185	V148-H152 PolarHBondContact O-CD2 3.08Å; V148-H152 PolarHBondContact O-N 2.69Å; V148-H152 VanDerWaalsContact O-N 3.12Å; V149-H152 PolarHBondContact O-N 2.74Å; E150-H152 VanDerWaalsContact C-N 3.34Å; E150-H152 PolarHBondContact O-N 3.13Å; H152-S155 PolarHBondContact O-N 3.39Å; H152-L156 WeakPolarHBondContact O-CG 3.42Å; H152-L156 PolarHBondContact O-N 3.37Å; H152-H181 AromaticContact CE1-ND1 3.72Å; H152-H181 AromaticContact ND1-CE1 3.87Å; H152-H181 AromaticContact ND1-CG 3.88Å; H152-H181 AromaticContact ND1-ND1 2.99Å; H152-H181 PolarHBondContact ND1-ND1 3.06Å; H152-A184 VanDerWaalsContact CE1-CB 3.5Å; H152-A184 WeakPolarHBondContact CE1-CB 3.38Å; H152-A184 VanDerWaalsContact NE2-CB 3.25Å; H152-A184 WeakPolarHBondContact NE2-CB 3.48Å; H152-L185 HydrophobicContact CB-CD1 4.15Å; H152-L185 HydrophobicContact CB-CD2 3.88Å; H152-L185 HydrophobicContact CB-CG 3.85Å
153	I	88.1	Confident	79.5	Confident	8 Å²	8	74.1 Å²	74.1	4%	0.041	39%	0.391	C	S	.	.	H	α-helix	trans	-61.1	-47.7	175.7	-67.7	165.5	0	0	0	110.5	V149 E150 S155 L156 L157 L196 I201 V204	V149-I153 HydrophobicContact CG1-CD1 3.68Å; V149-I153 HydrophobicContact CG1-CG1 4.5Å; V149-I153 WeakPolarHBondContact O-CG1 3.32Å; V149-I153 PolarHBondContact O-N 2.76Å; E150-I153 PolarHBondContact O-N 3.44Å; I153-S155 VanDerWaalsContact C-N 3.32Å; I153-S155 PolarHBondContact O-N 3.5Å; I153-L156 PolarHBondContact O-N 3.26Å; I153-L157 HydrophobicContact CG2-CD1 3.83Å; I153-L157 HydrophobicContact CG2-CG 4.48Å; I153-L157 VanDerWaalsContact O-CG 3.29Å; I153-L157 WeakPolarHBondContact O-CG 3.03Å; I153-L157 PolarHBondContact O-N 3.36Å; I153-L196 HydrophobicContact CD1-CD1 4.07Å; I153-I201 HydrophobicContact CG2-CG2 4.44Å; I153-V204 HydrophobicContact CB-CG1 4.27Å; I153-V204 HydrophobicContact CD1-CG2 3.95Å; I153-V204 HydrophobicContact CG2-CB 4.19Å; I153-V204 HydrophobicContact CG2-CG1 3.84Å
154	L	90.4	Very high	78.7	Confident	29 Å²	29	80 Å²	80	15%	0.152	40%	0.404	C	S	.	.	H	α-helix	trans	-64.6	-35.9	178.1	-67.7	175.5	0	0	0	112.5	E150 L157 K158 V204 Q208	E150-L154 HydrophobicContact CG-CD1 3.78Å; E150-L154 HydrophobicContact CG-CG 4.26Å; E150-L154 WeakPolarHBondContact O-CB 3.37Å; E150-L154 VanDerWaalsContact O-CG 3.29Å; E150-L154 WeakPolarHBondContact O-CG 3.45Å; E150-L154 PolarHBondContact O-N 3.37Å; L154-L157 PolarHBondContact O-N 2.94Å; L154-K158 WeakPolarHBondContact O-CB 3.08Å; L154-K158 WeakPolarHBondContact O-CD 3.37Å; L154-K158 WeakPolarHBondContact O-CG 3.28Å; L154-K158 PolarHBondContact O-N 2.68Å; L154-V204 HydrophobicContact CD2-CG1 3.73Å; L154-V204 HydrophobicContact CG-CG1 3.87Å; L154-Q208 HydrophobicContact CD2-CG 3.55Å
155	S	89.7	Confident	77.3	Confident	35 Å²	35	75 Å²	75	25%	0.245	39%	0.392	C	S	.	.	H	α-helix	trans	-67.2	-40.3	176.8	-59.9	0	0	0	0	111.9	S151 H152 I153 K158 L159 H181	S151-S155 VanDerWaalsContact O-CB 3.3Å; S151-S155 WeakPolarHBondContact O-CB 3.33Å; S151-S155 PolarHBondContact O-N 3.4Å; S151-S155 PolarHBondContact O-OG 3.24Å; H152-S155 PolarHBondContact O-N 3.39Å; I153-S155 VanDerWaalsContact C-N 3.32Å; I153-S155 PolarHBondContact O-N 3.5Å; S155-K158 PolarHBondContact O-N 3.37Å; S155-L159 PolarHBondContact O-N 2.84Å; S155-H181 VanDerWaalsContact CB-CE1 3.49Å; S155-H181 WeakPolarHBondContact CB-CE1 3.11Å; S155-H181 VanDerWaalsContact CB-NE2 3.27Å; S155-H181 WeakPolarHBondContact CB-NE2 3.4Å
156	L	88.4	Confident	76.1	Confident	53 Å²	53	79.5 Å²	79.5	28%	0.277	41%	0.413	S	S	.	.	H	α-helix	trans	-63.1	-42.6	173.2	-75.9	167.7	0	0	0	111.9	H152 I153 K158 L159 H181 L185	H152-L156 WeakPolarHBondContact O-CG 3.42Å; H152-L156 PolarHBondContact O-N 3.37Å; I153-L156 PolarHBondContact O-N 3.26Å; L156-K158 VanDerWaalsContact C-N 3.29Å; L156-K158 PolarHBondContact O-N 3.16Å; L156-L159 HydrophobicContact CD2-CD1 4.07Å; L156-L159 WeakPolarHBondContact O-CB 3.46Å; L156-L159 WeakPolarHBondContact O-CG 3.39Å; L156-L159 PolarHBondContact O-N 3.34Å; L156-H181 HydrophobicContact CD1-CB 4.09Å; L156-H181 HydrophobicContact CD2-CB 3.86Å; L156-H181 HydrophobicContact CG-CB 3.73Å; L156-L185 HydrophobicContact CD1-CD1 4.2Å
157	L	86.4	Confident	75.2	Confident	93 Å²	93	76.9 Å²	76.9	49%	0.487	40%	0.4	S	S	.	.	H	α-helix	trans	-68.7	-25.3	178	-69.9	166.5	0	0	0	113.6	I153 L154 L159 L205	I153-L157 HydrophobicContact CG2-CD1 3.83Å; I153-L157 HydrophobicContact CG2-CG 4.48Å; I153-L157 VanDerWaalsContact O-CG 3.29Å; I153-L157 WeakPolarHBondContact O-CG 3.03Å; I153-L157 PolarHBondContact O-N 3.36Å; L154-L157 PolarHBondContact O-N 2.94Å; L157-L159 VanDerWaalsContact C-N 3.32Å; L157-L205 HydrophobicContact CD1-CD2 3.4Å; L157-L205 HydrophobicContact CD1-CG 4.16Å; L157-L205 HydrophobicContact CD2-CD2 4.35Å
158	K	85.6	Confident	74.6	Confident	152 Å²	152	78.1 Å²	78.1	66%	0.661	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-6.3	176.9	-76.4	170.8	-175.1	175.4	0	113.4	L154 S155 L156 T160	L154-K158 WeakPolarHBondContact O-CB 3.08Å; L154-K158 WeakPolarHBondContact O-CD 3.37Å; L154-K158 WeakPolarHBondContact O-CG 3.28Å; L154-K158 PolarHBondContact O-N 2.68Å; S155-K158 PolarHBondContact O-N 3.37Å; L156-K158 VanDerWaalsContact C-N 3.29Å; L156-K158 PolarHBondContact O-N 3.16Å; K158-T160 PolarHBondContact O-N 3Å; K158-T160 VanDerWaalsContact O-N 3.08Å
159	L	84.9	Confident	73.8	Confident	55 Å²	55	79.2 Å²	79.2	29%	0.288	43%	0.425	S	S	.	.			trans	-63.5	112.9	174.9	-66.6	176	0	0	0	108.9	S155 L156 L157 K177 M178	S155-L159 PolarHBondContact O-N 2.84Å; L156-L159 HydrophobicContact CD2-CD1 4.07Å; L156-L159 WeakPolarHBondContact O-CB 3.46Å; L156-L159 WeakPolarHBondContact O-CG 3.39Å; L156-L159 PolarHBondContact O-N 3.34Å; L157-L159 VanDerWaalsContact C-N 3.32Å; L159-K177 HydrophobicContact CD2-CB 4.19Å; L159-K177 HydrophobicContact CD2-CD 4.43Å; L159-M178 HydrophobicContact CD1-CG 3.59Å
160	T	71.6	Confident	73.2	Confident	110 Å²	110	80.2 Å²	80.2	68%	0.675	43%	0.431	S	S	*	.			trans	-81.4	142.8	178.8	50.2	0	0	0	0	110.3	K158 E162	K158-T160 PolarHBondContact O-N 3Å; K158-T160 VanDerWaalsContact O-N 3.08Å; T160-E162 PolarHBondContact O-N 3.27Å
161	K	67.4	Low	72.6	Confident	165 Å²	165	84.7 Å²	84.7	72%	0.717	46%	0.455	S	S	*	.			trans	-59.5	118.1	166.8	-176.3	-174.1	170.1	-151.9	0	108.8	E163	K161-E163 HydrophobicContact CD-CG 4.01Å; K161-E163 HydrophobicContact CG-CG 4.05Å; K161-E163 IonicContact NZ-OE1 3.22Å; K161-E163 PolarHBondContact NZ-OE1 3.4Å; K161-E163 PolarHBondContact O-N 3.01Å; K161-E163 VanDerWaalsContact O-N 3.16Å
162	E	62.7	Low	72.1	Confident	74 Å²	74	89.8 Å²	89.8	35%	0.346	46%	0.464	S	S	.	.			trans	-80	93.5	173.4	-65	-171.1	175.9	0	0	108.8	T160 E164 A165	T160-E162 PolarHBondContact O-N 3.27Å; E162-E164 PolarHBondContact O-N 3.37Å; E162-A165 HydrophobicContact CB-CB 3.59Å; E162-A165 VanDerWaalsContact OE2-CB 3.26Å; E162-A165 WeakPolarHBondContact OE2-CB 3.22Å
163	E	53.3	Low	71.7	Confident	150 Å²	150	93.4 Å²	93.4	70%	0.701	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-10.2	-174.2	-58.4	-158.2	131.9	0	0	114.1	K161	K161-E163 HydrophobicContact CD-CG 4.01Å; K161-E163 HydrophobicContact CG-CG 4.05Å; K161-E163 IonicContact NZ-OE1 3.22Å; K161-E163 PolarHBondContact NZ-OE1 3.4Å; K161-E163 PolarHBondContact O-N 3.01Å; K161-E163 VanDerWaalsContact O-N 3.16Å
164	E	50.6	Low	71.4	Confident	177 Å²	177	95.4 Å²	95.4	83%	0.827	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	12	-176.2	-63.6	-173.2	161.2	0	0	114.2	E162 H166	E162-E164 PolarHBondContact O-N 3.37Å; E164-H166 PolarHBondContact O-N 3.2Å
165	A	44.4	Very low	71.1	Confident	33 Å²	33	99.7 Å²	99.7	27%	0.273	51%	0.509	S	S	.	.			trans	-80.1	81.2	-172.7	0	0	0	0	0	113.8	E162 G167 T170	E162-A165 HydrophobicContact CB-CB 3.59Å; E162-A165 VanDerWaalsContact OE2-CB 3.26Å; E162-A165 WeakPolarHBondContact OE2-CB 3.22Å; A165-G167 PolarHBondContact O-N 3.08Å; A165-T170 HydrophobicContact CB-CG2 4.03Å
166	H	48.7	Very low	70.9	Confident	190 Å²	190	101.8 Å²	101.8	88%	0.88	52%	0.518	S	S	*	.			trans	-91	93.5	169.3	-63.6	-40.2	0	0	0	111.3	E164	E164-H166 PolarHBondContact O-N 3.2Å
167	G	58.9	Low	70.8	Confident	33 Å²	33	103 Å²	103	34%	0.34	52%	0.521	S	S	.	.	S	Bend	trans	167.5	154.4	173.4	0	0	0	0	0	115	A165 S169 T170 L171	A165-G167 PolarHBondContact O-N 3.08Å; G167-S169 PolarHBondContact O-N 3.46Å; G167-T170 PolarHBondContact O-OG1 2.96Å; G167-T170 VanDerWaalsContact O-OG1 3.06Å; G167-L171 PolarHBondContact O-N 3.44Å
168	S	65.9	Low	70.8	Confident	102 Å²	102	103 Å²	103	71%	0.713	52%	0.519	S	S	*	.	H	α-helix	trans	-69.5	-21.8	174	59.7	0	0	0	0	113.1	R172	S168-R172 VanDerWaalsContact O-CB 3.24Å; S168-R172 WeakPolarHBondContact O-CB 3.25Å; S168-R172 PolarHBondContact O-N 3.5Å; S168-R172 VanDerWaalsContact O-N 3.13Å
169	S	66.7	Low	70.9	Confident	75 Å²	75	98.1 Å²	98.1	52%	0.524	50%	0.5	S	S	.	.	H	α-helix	trans	-71.5	-46.7	177.7	52.3	0	0	0	0	112.2	G167 R172 E173	G167-S169 PolarHBondContact O-N 3.46Å; S169-R172 PolarHBondContact O-N 2.96Å; S169-E173 PolarHBondContact O-N 3.35Å
170	T	69.3	Low	71.1	Confident	34 Å²	34	102.7 Å²	102.7	21%	0.209	51%	0.514	C	S	.	.	H	α-helix	trans	-66.5	-42.3	178.2	32.6	0	0	0	0	112	A165 G167 R172 E173 L174	A165-T170 HydrophobicContact CB-CG2 4.03Å; G167-T170 PolarHBondContact O-OG1 2.96Å; G167-T170 VanDerWaalsContact O-OG1 3.06Å; T170-R172 VanDerWaalsContact C-N 3.3Å; T170-R172 PolarHBondContact O-N 3.15Å; T170-E173 PolarHBondContact O-N 3.42Å; T170-L174 PolarHBondContact O-N 3.32Å
171	L	74.4	Confident	71.9	Confident	116 Å²	116	99 Å²	99	61%	0.607	49%	0.489	S	S	*	.	H	α-helix	trans	-62.2	-37.1	172.9	-80.7	171.5	0	0	0	112.6	G167 F175	G167-L171 PolarHBondContact O-N 3.44Å; L171-F175 VanDerWaalsContact O-CB 3.3Å; L171-F175 WeakPolarHBondContact O-CB 3.17Å; L171-F175 PolarHBondContact O-N 3.08Å
172	R	78.6	Confident	72.7	Confident	173 Å²	173	93 Å²	93	65%	0.653	47%	0.466	S	S	*	.	H	α-helix	trans	-67.1	-44	176.1	-175.6	173.8	-67.6	-114.6	-1.8	111.4	S168 S169 T170 L174 F175 D176	S168-R172 VanDerWaalsContact O-CB 3.24Å; S168-R172 WeakPolarHBondContact O-CB 3.25Å; S168-R172 PolarHBondContact O-N 3.5Å; S168-R172 VanDerWaalsContact O-N 3.13Å; S169-R172 PolarHBondContact O-N 2.96Å; T170-R172 VanDerWaalsContact C-N 3.3Å; T170-R172 PolarHBondContact O-N 3.15Å; R172-L174 VanDerWaalsContact C-N 3.35Å; R172-L174 PolarHBondContact O-N 3.23Å; R172-F175 WeakPolarHBondContact O-CB 3.32Å; R172-F175 PolarHBondContact O-N 2.96Å; R172-D176 WeakPolarHBondContact O-CB 3.49Å; R172-D176 PolarHBondContact O-N 3.36Å
173	E	79	Confident	73.7	Confident	105 Å²	105	96.2 Å²	96.2	49%	0.491	48%	0.475	S	S	.	.	H	α-helix	trans	-61.2	-41.6	175.2	-75.5	-178.8	-156.1	0	0	112.6	S169 T170 D176 K177	S169-E173 PolarHBondContact O-N 3.35Å; T170-E173 PolarHBondContact O-N 3.42Å; E173-D176 PolarHBondContact O-N 2.86Å; E173-K177 WeakPolarHBondContact O-CB 3.29Å; E173-K177 VanDerWaalsContact O-CG 3.24Å; E173-K177 WeakPolarHBondContact O-CG 3.36Å; E173-K177 PolarHBondContact O-N 3.22Å
174	L	82.2	Confident	75.2	Confident	49 Å²	49	90.2 Å²	90.2	26%	0.257	45%	0.451	S	S	.	.	H	α-helix	trans	-63.7	-46.2	175.1	179.8	61.7	0	0	0	111.3	T170 R172 D176 K177 M178	T170-L174 PolarHBondContact O-N 3.32Å; R172-L174 VanDerWaalsContact C-N 3.35Å; R172-L174 PolarHBondContact O-N 3.23Å; L174-D176 PolarHBondContact O-N 3.17Å; L174-K177 PolarHBondContact O-N 3.47Å; L174-M178 HydrophobicContact CD1-CG 4.36Å; L174-M178 HydrophobicContact CD1-SD 4.31Å; L174-M178 HydrophobicContact CG-SD 4.16Å; L174-M178 WeakPolarHBondContact O-CG 3.46Å; L174-M178 PolarHBondContact O-N 3.17Å
175	F	85.2	Confident	76.7	Confident	120 Å²	120	81.9 Å²	81.9	53%	0.526	41%	0.412	S	S	.	.	H	α-helix	trans	-57.3	-47.6	175.5	172.2	-95.1	0	0	0	111.8	L171 R172 K177 M178 N179	L171-F175 VanDerWaalsContact O-CB 3.3Å; L171-F175 WeakPolarHBondContact O-CB 3.17Å; L171-F175 PolarHBondContact O-N 3.08Å; R172-F175 WeakPolarHBondContact O-CB 3.32Å; R172-F175 PolarHBondContact O-N 2.96Å; F175-K177 PolarHBondContact O-N 3.42Å; F175-M178 PolarHBondContact O-N 2.8Å; F175-N179 WeakPolarHBondContact CE1-ND2 3.27Å; F175-N179 WeakPolarHBondContact CE2-ND2 3.45Å; F175-N179 WeakPolarHBondContact CZ-ND2 3.29Å; F175-N179 WeakPolarHBondContact O-CB 3.44Å; F175-N179 PolarHBondContact O-N 3.34Å
176	D	85.1	Confident	78.5	Confident	79 Å²	79	84.7 Å²	84.7	42%	0.422	42%	0.42	S	S	.	.	H	α-helix	trans	-64.3	-39.4	180	-68.8	-22.2	0	0	0	111.6	R172 E173 L174 R180	R172-D176 WeakPolarHBondContact O-CB 3.49Å; R172-D176 PolarHBondContact O-N 3.36Å; E173-D176 PolarHBondContact O-N 2.86Å; L174-D176 PolarHBondContact O-N 3.17Å; D176-R180 VanDerWaalsContact O-CB 3.28Å; D176-R180 WeakPolarHBondContact O-CB 3.46Å; D176-R180 PolarHBondContact O-N 3.33Å
177	K	86.1	Confident	79.9	Confident	79 Å²	79	79.6 Å²	79.6	34%	0.343	41%	0.41	S	S	.	.	H	α-helix	trans	-63.8	-45.8	174.4	-73.9	167.7	-171.1	163.1	0	111.9	L159 E173 L174 F175 H181	L159-K177 HydrophobicContact CD2-CB 4.19Å; L159-K177 HydrophobicContact CD2-CD 4.43Å; E173-K177 WeakPolarHBondContact O-CB 3.29Å; E173-K177 VanDerWaalsContact O-CG 3.24Å; E173-K177 WeakPolarHBondContact O-CG 3.36Å; E173-K177 PolarHBondContact O-N 3.22Å; L174-K177 PolarHBondContact O-N 3.47Å; F175-K177 PolarHBondContact O-N 3.42Å; K177-H181 PolarHBondContact O-CD2 3.11Å; K177-H181 VanDerWaalsContact O-CD2 3.29Å
178	M	87.2	Confident	80.7	Confident	92 Å²	92	80.5 Å²	80.5	45%	0.453	41%	0.407	S	S	.	.	H	α-helix	trans	-63.8	-51	178	-71.8	177.8	70.3	0	0	111.3	L159 L174 F175 R180 H181 V182	L159-M178 HydrophobicContact CD1-CG 3.59Å; L174-M178 HydrophobicContact CD1-CG 4.36Å; L174-M178 HydrophobicContact CD1-SD 4.31Å; L174-M178 HydrophobicContact CG-SD 4.16Å; L174-M178 WeakPolarHBondContact O-CG 3.46Å; L174-M178 PolarHBondContact O-N 3.17Å; F175-M178 PolarHBondContact O-N 2.8Å; M178-R180 VanDerWaalsContact C-N 3.31Å; M178-R180 PolarHBondContact O-N 3.42Å; M178-H181 PolarHBondContact O-N 3.32Å; M178-V182 WeakPolarHBondContact O-CG2 3.43Å; M178-V182 PolarHBondContact O-N 3.48Å; M178-V182 VanDerWaalsContact O-N 3.12Å
179	N	87.8	Confident	81	Confident	49 Å²	49	85 Å²	85	26%	0.262	41%	0.408	S	S	.	.	H	α-helix	trans	-61.5	-37.7	-178.8	-100.3	-14.9	0	0	0	112.9	F175 H181 V182 R183	F175-N179 WeakPolarHBondContact CE1-ND2 3.27Å; F175-N179 WeakPolarHBondContact CE2-ND2 3.45Å; F175-N179 WeakPolarHBondContact CZ-ND2 3.29Å; F175-N179 WeakPolarHBondContact O-CB 3.44Å; F175-N179 PolarHBondContact O-N 3.34Å; N179-H181 VanDerWaalsContact C-N 3.29Å; N179-H181 PolarHBondContact O-N 3.04Å; N179-V182 PolarHBondContact O-N 3.05Å; N179-R183 WeakPolarHBondContact O-CB 3.23Å; N179-R183 WeakPolarHBondContact O-CG 3.39Å; N179-R183 PolarHBondContact O-N 2.9Å
180	R	88	Confident	81.3	Confident	152 Å²	152	84 Å²	84	57%	0.574	40%	0.395	S	S	*	.	H	α-helix	trans	-54.7	-46	176.8	-177.5	-171.9	-57.7	-162.5	-0.9	111.9	D176 M178 A184	D176-R180 VanDerWaalsContact O-CB 3.28Å; D176-R180 WeakPolarHBondContact O-CB 3.46Å; D176-R180 PolarHBondContact O-N 3.33Å; M178-R180 VanDerWaalsContact C-N 3.31Å; M178-R180 PolarHBondContact O-N 3.42Å; R180-A184 WeakPolarHBondContact O-CB 3.22Å; R180-A184 PolarHBondContact O-N 3.25Å
181	H	88.3	Confident	81.2	Confident	31 Å²	31	83.7 Å²	83.7	14%	0.144	39%	0.394	C	S	.	.	H	α-helix	trans	-76.4	-37.5	-178	-66.5	-45.1	0	0	0	112.6	H152 S155 L156 K177 M178 N179 A184 L185	H152-H181 AromaticContact CE1-ND1 3.72Å; H152-H181 AromaticContact ND1-CE1 3.87Å; H152-H181 AromaticContact ND1-CG 3.88Å; H152-H181 AromaticContact ND1-ND1 2.99Å; H152-H181 PolarHBondContact ND1-ND1 3.06Å; S155-H181 VanDerWaalsContact CB-CE1 3.49Å; S155-H181 WeakPolarHBondContact CB-CE1 3.11Å; S155-H181 VanDerWaalsContact CB-NE2 3.27Å; S155-H181 WeakPolarHBondContact CB-NE2 3.4Å; L156-H181 HydrophobicContact CD1-CB 4.09Å; L156-H181 HydrophobicContact CD2-CB 3.86Å; L156-H181 HydrophobicContact CG-CB 3.73Å; K177-H181 PolarHBondContact O-CD2 3.11Å; K177-H181 VanDerWaalsContact O-CD2 3.29Å; M178-H181 PolarHBondContact O-N 3.32Å; N179-H181 VanDerWaalsContact C-N 3.29Å; N179-H181 PolarHBondContact O-N 3.04Å; H181-A184 PolarHBondContact O-N 2.85Å; H181-L185 WeakPolarHBondContact O-CG 3.27Å; H181-L185 PolarHBondContact O-N 3.06Å; H181-L185 VanDerWaalsContact O-N 3.14Å
182	V	85.1	Confident	80.8	Confident	39 Å²	39	82.3 Å²	82.3	24%	0.236	39%	0.39	C	S	.	.	H	α-helix	trans	-63.7	-49.2	175.6	175.1	0	0	0	0	111.1	M178 N179 A184 L185 E186 V192	M178-V182 WeakPolarHBondContact O-CG2 3.43Å; M178-V182 PolarHBondContact O-N 3.48Å; M178-V182 VanDerWaalsContact O-N 3.12Å; N179-V182 PolarHBondContact O-N 3.05Å; V182-A184 VanDerWaalsContact C-N 3.32Å; V182-A184 PolarHBondContact O-N 3.09Å; V182-L185 WeakPolarHBondContact O-CB 3.26Å; V182-L185 PolarHBondContact O-N 3.15Å; V182-E186 WeakPolarHBondContact O-CG 3.3Å; V182-E186 PolarHBondContact O-N 3.13Å; V182-V192 HydrophobicContact CG1-CG2 4.23Å
183	R	83.6	Confident	79.9	Confident	142 Å²	142	81.8 Å²	81.8	54%	0.536	40%	0.395	S	S	.	.	H	α-helix	trans	-61.5	-38.3	178.1	-72.5	-179.7	176.9	-165.9	-3.8	112.7	N179 E186 A187 D579	N179-R183 WeakPolarHBondContact O-CB 3.23Å; N179-R183 WeakPolarHBondContact O-CG 3.39Å; N179-R183 PolarHBondContact O-N 2.9Å; R183-E186 PolarHBondContact O-N 3.22Å; R183-A187 WeakPolarHBondContact O-CB 3.47Å; R183-A187 PolarHBondContact O-N 3.02Å; R183-D579 IonicContact NH1-OD2 2.74Å
184	A	83.7	Confident	79	Confident	25 Å²	25	83.4 Å²	83.4	21%	0.207	41%	0.407	C	S	.	.	H	α-helix	trans	-65.9	-38.2	177.4	0	0	0	0	0	112.2	H152 R180 H181 V182 A187 I188	H152-A184 VanDerWaalsContact CE1-CB 3.5Å; H152-A184 WeakPolarHBondContact CE1-CB 3.38Å; H152-A184 VanDerWaalsContact NE2-CB 3.25Å; H152-A184 WeakPolarHBondContact NE2-CB 3.48Å; R180-A184 WeakPolarHBondContact O-CB 3.22Å; R180-A184 PolarHBondContact O-N 3.25Å; H181-A184 PolarHBondContact O-N 2.85Å; V182-A184 VanDerWaalsContact C-N 3.32Å; V182-A184 PolarHBondContact O-N 3.09Å; A184-A187 PolarHBondContact O-N 2.8Å; A184-I188 WeakPolarHBondContact O-CD1 3.46Å; A184-I188 WeakPolarHBondContact O-CG1 3.5Å; A184-I188 PolarHBondContact O-N 2.96Å
185	L	83.2	Confident	78.5	Confident	2 Å²	2	86.6 Å²	86.6	1%	0.01	42%	0.419	C	S	.	.	H	α-helix	trans	-65.1	-40.7	172.7	-71.9	167.1	0	0	0	111.9	V149 H152 L156 H181 V182 I188 K190 L196	V149-L185 HydrophobicContact CB-CD2 4.4Å; V149-L185 HydrophobicContact CG1-CD2 4.19Å; V149-L185 HydrophobicContact CG2-CD2 4.31Å; H152-L185 HydrophobicContact CB-CD1 4.15Å; H152-L185 HydrophobicContact CB-CD2 3.88Å; H152-L185 HydrophobicContact CB-CG 3.85Å; L156-L185 HydrophobicContact CD1-CD1 4.2Å; H181-L185 WeakPolarHBondContact O-CG 3.27Å; H181-L185 PolarHBondContact O-N 3.06Å; H181-L185 VanDerWaalsContact O-N 3.14Å; V182-L185 WeakPolarHBondContact O-CB 3.26Å; V182-L185 PolarHBondContact O-N 3.15Å; L185-I188 PolarHBondContact O-N 2.86Å; L185-K190 CarbonylContact O-C 3.45Å; L185-K190 WeakPolarHBondContact O-CA 3.36Å; L185-K190 PolarHBondContact O-N 3.38Å; L185-L196 HydrophobicContact CD1-CD2 4.26Å
186	E	81.8	Confident	78.1	Confident	92 Å²	92	82.2 Å²	82.2	43%	0.43	40%	0.4	S	S	.	.	H	α-helix	trans	-62.2	-43.7	174.6	-71.4	174.8	162.7	0	0	112.4	V182 R183 I188 R189	V182-E186 WeakPolarHBondContact O-CG 3.3Å; V182-E186 PolarHBondContact O-N 3.13Å; R183-E186 PolarHBondContact O-N 3.22Å; E186-I188 PolarHBondContact O-N 3.36Å; E186-R189 WeakPolarHBondContact O-CA 3.45Å; E186-R189 PolarHBondContact O-N 3.44Å
187	A	78.2	Confident	78	Confident	82 Å²	82	81.7 Å²	81.7	68%	0.678	40%	0.4	S	S	*	.	H	α-helix	trans	-60.7	-31.5	178.9	0	0	0	0	0	112.9	R183 A184 R189	R183-A187 WeakPolarHBondContact O-CB 3.47Å; R183-A187 PolarHBondContact O-N 3.02Å; A184-A187 PolarHBondContact O-N 2.8Å; A187-R189 PolarHBondContact O-N 2.85Å
188	I	75.5	Confident	77.8	Confident	52 Å²	52	81.3 Å²	81.3	27%	0.267	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	13.7	178.1	-56.1	163.4	0	0	0	111	E145 V148 A184 L185 E186 K190	E145-I188 HydrophobicContact CG-CG2 3.58Å; V148-I188 HydrophobicContact CB-CD1 4.06Å; V148-I188 HydrophobicContact CG1-CD1 3.29Å; A184-I188 WeakPolarHBondContact O-CD1 3.46Å; A184-I188 WeakPolarHBondContact O-CG1 3.5Å; A184-I188 PolarHBondContact O-N 2.96Å; L185-I188 PolarHBondContact O-N 2.86Å; E186-I188 PolarHBondContact O-N 3.36Å; I188-K190 PolarHBondContact O-N 3.37Å
189	R	73	Confident	77.7	Confident	197 Å²	197	80.3 Å²	80.3	74%	0.743	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	26.1	-179.5	-51.5	178.4	174.5	-174.1	-2	113.5	E186 A187 K195	E186-R189 WeakPolarHBondContact O-CA 3.45Å; E186-R189 PolarHBondContact O-N 3.44Å; A187-R189 PolarHBondContact O-N 2.85Å; R189-K195 WeakPolarHBondContact O-CD 3.43Å
190	K	71.4	Confident	77.5	Confident	55 Å²	55	79.9 Å²	79.9	24%	0.239	40%	0.404	C	S	.	.			trans	-108.9	55.7	170.5	-67.8	-76.2	178.8	176.8	0	109.5	E145 V149 L185 I188	E145-K190 WeakPolarHBondContact OE1-CE 3.08Å; E145-K190 IonicContact OE1-NZ 2.73Å; V149-K190 HydrophobicContact CG2-CB 4.44Å; V149-K190 HydrophobicContact CG2-CG 3.86Å; L185-K190 CarbonylContact O-C 3.45Å; L185-K190 WeakPolarHBondContact O-CA 3.36Å; L185-K190 PolarHBondContact O-N 3.38Å; I188-K190 PolarHBondContact O-N 3.37Å
191	S	66.9	Low	77.5	Confident	27 Å²	27	75.6 Å²	75.6	19%	0.189	39%	0.391	C	S	.	.			trans	-63.1	146.1	-179.1	80.1	0	0	0	0	111.3	E193 N194 K195 L196	S191-E193 PolarHBondContact O-N 3.05Å; S191-N194 PolarHBondContact O-N 3.39Å; S191-N194 PolarHBondContact OG-N 3.33Å; S191-K195 PolarHBondContact O-N 2.67Å; S191-K195 VanDerWaalsContact O-N 3.09Å; S191-L196 PolarHBondContact O-N 3.01Å
192	V	66.6	Low	77.5	Confident	86 Å²	86	77.2 Å²	77.2	52%	0.521	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.4	175.6	-174.1	0	0	0	0	110.8	V182	V182-V192 HydrophobicContact CG1-CG2 4.23Å
193	E	60.7	Low	77.7	Confident	162 Å²	162	76.3 Å²	76.3	76%	0.757	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-32.4	-175.6	-67.6	-176.6	161.4	0	0	113.9	S191	S191-E193 PolarHBondContact O-N 3.05Å
194	N	60.2	Low	78	Confident	139 Å²	139	70.2 Å²	70.2	74%	0.743	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.5	-10.1	-167.2	-69.1	-48.5	0	0	0	116.7	S191	S191-N194 PolarHBondContact O-N 3.39Å; S191-N194 PolarHBondContact OG-N 3.33Å
195	K	69.9	Low	78.3	Confident	117 Å²	117	72 Å²	72	51%	0.509	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.6	-18.2	-169	-71.2	-172.9	172.6	-171.8	0	116.2	R189 S191	R189-K195 WeakPolarHBondContact O-CD 3.43Å; S191-K195 PolarHBondContact O-N 2.67Å; S191-K195 VanDerWaalsContact O-N 3.09Å
196	L	78.6	Confident	78.7	Confident	27 Å²	27	75 Å²	75	14%	0.141	39%	0.392	C	S	.	.			trans	-90.8	99.6	171.3	-173.6	69.7	0	0	0	109.4	V149 I153 L185 S191 N200 I201	V149-L196 HydrophobicContact CG1-CD1 4.27Å; I153-L196 HydrophobicContact CD1-CD1 4.07Å; L185-L196 HydrophobicContact CD1-CD2 4.26Å; S191-L196 PolarHBondContact O-N 3.01Å; L196-N200 HydrophobicContact CD1-CB 3.95Å; L196-I201 HydrophobicContact CG-CG1 4.47Å
197	T	81.9	Confident	79.1	Confident	68 Å²	68	71.2 Å²	71.2	42%	0.417	37%	0.374	S	S	.	.			trans	-82.4	158.4	-177.4	65.5	0	0	0	0	111.5	E199 N200 I201	T197-E199 PolarHBondContact O-N 2.98Å; T197-N200 PolarHBondContact N-OD1 2.92Å; T197-N200 WeakPolarHBondContact O-CB 3.43Å; T197-N200 PolarHBondContact O-N 2.8Å; T197-N200 VanDerWaalsContact OG1-CG 3.3Å; T197-N200 PolarHBondContact OG1-N 2.92Å; T197-N200 PolarHBondContact OG1-OD1 3.36Å; T197-I201 PolarHBondContact O-N 3.39Å
198	A	83.2	Confident	79.6	Confident	72 Å²	72	71.1 Å²	71.1	60%	0.595	36%	0.36	S	S	*	.	H	α-helix	trans	-55.5	-32.9	170	0	0	0	0	0	111.8	N200 I201 L202	A198-N200 PolarHBondContact O-N 2.73Å; A198-I201 PolarHBondContact O-N 2.82Å; A198-L202 WeakPolarHBondContact O-CB 3.28Å; A198-L202 VanDerWaalsContact O-CG 3.3Å; A198-L202 WeakPolarHBondContact O-CG 3.36Å; A198-L202 PolarHBondContact O-N 3.05Å
199	E	85.1	Confident	80.3	Confident	70 Å²	70	75.1 Å²	75.1	33%	0.327	38%	0.381	S	S	.	.	H	α-helix	trans	-60.8	-41.1	173.9	178.9	167.1	-134.8	0	0	112.5	T197 I201 L202 L203 T232 L233	T197-E199 PolarHBondContact O-N 2.98Å; E199-I201 VanDerWaalsContact C-N 3.35Å; E199-I201 PolarHBondContact O-N 2.86Å; E199-L202 PolarHBondContact O-N 3.15Å; E199-L203 HydrophobicContact CG-CD1 4.31Å; E199-L203 WeakPolarHBondContact O-CB 3.43Å; E199-L203 WeakPolarHBondContact O-CG 3.27Å; E199-L203 PolarHBondContact O-N 3.45Å; E199-T232 WeakPolarHBondContact OE1-CA 3.5Å; E199-T232 VanDerWaalsContact OE1-CB 3.23Å; E199-T232 WeakPolarHBondContact OE1-CB 3.42Å; E199-L233 HydrophobicContact CB-CD1 4.24Å; E199-L233 HydrophobicContact CG-CB 4.24Å; E199-L233 HydrophobicContact CG-CD1 3.88Å; E199-L233 HydrophobicContact CG-CG 3.82Å; E199-L233 PolarHBondContact OE1-N 2.91Å
200	N	83.4	Confident	81.1	Confident	40 Å²	40	66.4 Å²	66.4	21%	0.214	35%	0.349	C	S	.	.	H	α-helix	trans	-63.1	-41	176.1	-59.3	143.7	0	0	0	112.2	L196 T197 A198 V204	L196-N200 HydrophobicContact CD1-CB 3.95Å; T197-N200 PolarHBondContact N-OD1 2.92Å; T197-N200 WeakPolarHBondContact O-CB 3.43Å; T197-N200 PolarHBondContact O-N 2.8Å; T197-N200 VanDerWaalsContact OG1-CG 3.3Å; T197-N200 PolarHBondContact OG1-N 2.92Å; T197-N200 PolarHBondContact OG1-OD1 3.36Å; A198-N200 PolarHBondContact O-N 2.73Å; N200-V204 PolarHBondContact O-N 2.8Å
201	I	86.8	Confident	81.9	Confident	62 Å²	62	67.4 Å²	67.4	32%	0.318	36%	0.361	S	S	.	.	H	α-helix	trans	-66.4	-45.7	178	-60.5	172.8	0	0	0	110.2	I153 L196 T197 A198 E199 L203 V204 L205	I153-I201 HydrophobicContact CG2-CG2 4.44Å; L196-I201 HydrophobicContact CG-CG1 4.47Å; T197-I201 PolarHBondContact O-N 3.39Å; A198-I201 PolarHBondContact O-N 2.82Å; E199-I201 VanDerWaalsContact C-N 3.35Å; E199-I201 PolarHBondContact O-N 2.86Å; I201-L203 PolarHBondContact O-N 3.07Å; I201-V204 PolarHBondContact O-N 2.98Å; I201-L205 HydrophobicContact CG2-CD1 3.94Å; I201-L205 HydrophobicContact CG2-CG 4.39Å; I201-L205 WeakPolarHBondContact O-CG 3.43Å; I201-L205 PolarHBondContact O-N 2.9Å
202	L	89	Confident	82.8	Confident	65 Å²	65	71.1 Å²	71.1	34%	0.34	38%	0.384	S	S	.	.	H	α-helix	trans	-63.9	-38.9	178.6	-72.9	172.3	0	0	0	112.4	A198 E199 V204 L205 F206 L233	A198-L202 WeakPolarHBondContact O-CB 3.28Å; A198-L202 VanDerWaalsContact O-CG 3.3Å; A198-L202 WeakPolarHBondContact O-CG 3.36Å; A198-L202 PolarHBondContact O-N 3.05Å; E199-L202 PolarHBondContact O-N 3.15Å; L202-V204 VanDerWaalsContact C-N 3.34Å; L202-V204 PolarHBondContact O-N 3.47Å; L202-L205 PolarHBondContact O-N 3.28Å; L202-F206 HydrophobicContact CB-CE2 4.37Å; L202-F206 HydrophobicContact CD2-CE1 4.13Å; L202-F206 HydrophobicContact CD2-CZ 3.97Å; L202-F206 VanDerWaalsContact O-CB 3.3Å; L202-F206 WeakPolarHBondContact O-CB 3.27Å; L202-F206 WeakPolarHBondContact O-CG 3.44Å; L202-F206 PolarHBondContact O-N 3.14Å; L202-L233 HydrophobicContact CB-CD1 3.85Å; L202-L233 HydrophobicContact CB-CD2 4.06Å; L202-L233 HydrophobicContact CB-CG 4.39Å; L202-L233 HydrophobicContact CD1-CD1 3.74Å; L202-L233 HydrophobicContact CG-CD1 4.47Å
203	L	89.4	Confident	83.8	Confident	21 Å²	21	70.4 Å²	70.4	11%	0.11	39%	0.388	C	S	.	.	H	α-helix	trans	-58.8	-44.8	173.8	-80.2	170.8	0	0	0	111.7	E199 I201 K207 W218 L233 L236	E199-L203 HydrophobicContact CG-CD1 4.31Å; E199-L203 WeakPolarHBondContact O-CB 3.43Å; E199-L203 WeakPolarHBondContact O-CG 3.27Å; E199-L203 PolarHBondContact O-N 3.45Å; I201-L203 PolarHBondContact O-N 3.07Å; L203-K207 WeakPolarHBondContact O-CB 3.34Å; L203-K207 PolarHBondContact O-N 2.95Å; L203-W218 HydrophobicContact CD2-CH2 4.09Å; L203-W218 HydrophobicContact CD2-CZ2 3.93Å; L203-L233 HydrophobicContact CD2-CD2 4.04Å; L203-L233 HydrophobicContact CD2-CG 4.28Å; L203-L233 HydrophobicContact CG-CD2 4.19Å; L203-L233 HydrophobicContact CG-CG 4.17Å; L203-L236 HydrophobicContact CD2-CB 4.03Å; L203-L236 HydrophobicContact CD2-CD2 4.01Å
204	V	89.6	Confident	85.2	Confident	14 Å²	14	63.7 Å²	63.7	9%	0.085	36%	0.358	C	S	.	.	H	α-helix	trans	-64.2	-46.6	176.1	169.4	0	0	0	0	111.1	E150 I153 L154 N200 I201 L202 K207 Q208	E150-V204 HydrophobicContact CB-CG2 4.09Å; E150-V204 HydrophobicContact CG-CG1 3.97Å; E150-V204 HydrophobicContact CG-CG2 4.15Å; I153-V204 HydrophobicContact CB-CG1 4.27Å; I153-V204 HydrophobicContact CD1-CG2 3.95Å; I153-V204 HydrophobicContact CG2-CB 4.19Å; I153-V204 HydrophobicContact CG2-CG1 3.84Å; L154-V204 HydrophobicContact CD2-CG1 3.73Å; L154-V204 HydrophobicContact CG-CG1 3.87Å; N200-V204 PolarHBondContact O-N 2.8Å; I201-V204 PolarHBondContact O-N 2.98Å; L202-V204 VanDerWaalsContact C-N 3.34Å; L202-V204 PolarHBondContact O-N 3.47Å; V204-K207 PolarHBondContact O-N 2.79Å; V204-Q208 WeakPolarHBondContact O-CG 3.44Å; V204-Q208 PolarHBondContact O-N 3.45Å
205	L	89.8	Confident	86.6	Confident	63 Å²	63	60.4 Å²	60.4	33%	0.33	34%	0.335	S	S	.	.	H	α-helix	trans	-60.8	-50.6	178.5	-74.3	172.4	0	0	0	112.1	L157 I201 L202 K207 Q208 L209	L157-L205 HydrophobicContact CD1-CD2 3.4Å; L157-L205 HydrophobicContact CD1-CG 4.16Å; L157-L205 HydrophobicContact CD2-CD2 4.35Å; I201-L205 HydrophobicContact CG2-CD1 3.94Å; I201-L205 HydrophobicContact CG2-CG 4.39Å; I201-L205 WeakPolarHBondContact O-CG 3.43Å; I201-L205 PolarHBondContact O-N 2.9Å; L202-L205 PolarHBondContact O-N 3.28Å; L205-K207 VanDerWaalsContact C-N 3.33Å; L205-K207 PolarHBondContact O-N 3.44Å; L205-Q208 WeakPolarHBondContact O-CB 3.41Å; L205-Q208 PolarHBondContact O-N 2.83Å; L205-Q208 VanDerWaalsContact O-N 3.11Å; L205-L209 PolarHBondContact O-N 3.46Å
206	F	91.6	Very high	87.4	Confident	63 Å²	63	62.5 Å²	62.5	28%	0.276	34%	0.344	S	S	.	.	H	α-helix	trans	-65.3	-37.4	-179.2	-66.2	-10.9	0	0	0	111.5	L202 Q208 L209 L210 L233 L236 F237	L202-F206 HydrophobicContact CB-CE2 4.37Å; L202-F206 HydrophobicContact CD2-CE1 4.13Å; L202-F206 HydrophobicContact CD2-CZ 3.97Å; L202-F206 VanDerWaalsContact O-CB 3.3Å; L202-F206 WeakPolarHBondContact O-CB 3.27Å; L202-F206 WeakPolarHBondContact O-CG 3.44Å; L202-F206 PolarHBondContact O-N 3.14Å; F206-Q208 VanDerWaalsContact C-N 3.26Å; F206-Q208 PolarHBondContact O-N 3.24Å; F206-L209 HydrophobicContact CD1-CD1 4.17Å; F206-L209 WeakPolarHBondContact O-CA 3.4Å; F206-L209 WeakPolarHBondContact O-CB 3.46Å; F206-L209 PolarHBondContact O-N 2.93Å; F206-L210 WeakPolarHBondContact O-CG 3.36Å; F206-L210 PolarHBondContact O-N 3.43Å; F206-L233 HydrophobicContact CD2-CD2 3.43Å; F206-L233 VanDerWaalsContact CD2-CD2 3.43Å; F206-L233 HydrophobicContact CE2-CD2 3.55Å; F206-L236 HydrophobicContact CB-CD2 3.65Å; F206-L236 HydrophobicContact CD2-CD2 4.07Å; F206-L236 HydrophobicContact CG-CD2 4.4Å; F206-F237 HydrophobicContact CD2-CZ 4.45Å; F206-F237 HydrophobicContact CE2-CE2 4.3Å; F206-F237 AromaticContact CE2-CZ 3.91Å; F206-F237 HydrophobicContact CE2-CZ 3.91Å
207	K	89.7	Confident	88	Confident	14 Å²	14	65 Å²	65	6%	0.061	35%	0.354	C	S	.	.	H	α-helix	trans	-56.7	-37.5	172	-179.7	-178	173.8	179.9	0	112.7	E150 L203 V204 L205 L209 L210 R215 E219	E150-K207 WeakPolarHBondContact OE1-CE 3.33Å; E150-K207 IonicContact OE1-NZ 3.7Å; E150-K207 PolarHBondContact OE1-NZ 3.24Å; E150-K207 IonicContact OE2-NZ 2.65Å; E150-K207 PolarHBondContact OE2-NZ 2.95Å; L203-K207 WeakPolarHBondContact O-CB 3.34Å; L203-K207 PolarHBondContact O-N 2.95Å; V204-K207 PolarHBondContact O-N 2.79Å; L205-K207 VanDerWaalsContact C-N 3.33Å; L205-K207 PolarHBondContact O-N 3.44Å; K207-L209 VanDerWaalsContact C-N 3.28Å; K207-L209 PolarHBondContact O-N 3.23Å; K207-L210 PolarHBondContact O-N 2.63Å; K207-R215 HydrophobicContact CG-CG 4.18Å; K207-R215 PolarHBondContact O-NE 3.24Å; K207-R215 PolarHBondContact O-NH2 3.19Å; K207-E219 WeakPolarHBondContact CE-OE1 3.33Å; K207-E219 IonicContact NZ-OE1 3.81Å; K207-E219 PolarHBondContact NZ-OE1 2.69Å; K207-E219 IonicContact NZ-OE2 2.6Å
208	Q	88.7	Confident	88.4	Confident	80 Å²	80	62.4 Å²	62.4	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-68.7	-26.2	175.4	-63.6	-54.4	-53.6	0	0	113	E150 L154 V204 L205 F206 R215	E150-Q208 PolarHBondContact OE1-NE2 2.97Å; E150-Q208 VanDerWaalsContact OE1-NE2 3.14Å; L154-Q208 HydrophobicContact CD2-CG 3.55Å; V204-Q208 WeakPolarHBondContact O-CG 3.44Å; V204-Q208 PolarHBondContact O-N 3.45Å; L205-Q208 WeakPolarHBondContact O-CB 3.41Å; L205-Q208 PolarHBondContact O-N 2.83Å; L205-Q208 VanDerWaalsContact O-N 3.11Å; F206-Q208 VanDerWaalsContact C-N 3.26Å; F206-Q208 PolarHBondContact O-N 3.24Å; Q208-R215 PolarHBondContact O-NH2 2.9Å; Q208-R215 VanDerWaalsContact O-NH2 3.07Å
209	L	90	Very high	88.6	Confident	135 Å²	135	61.7 Å²	61.7	71%	0.707	32%	0.321	S	S	*	.	H	α-helix	trans	-79.3	-18.5	176.2	-59.3	175.2	0	0	0	113	L205 F206 K207	L205-L209 PolarHBondContact O-N 3.46Å; F206-L209 HydrophobicContact CD1-CD1 4.17Å; F206-L209 WeakPolarHBondContact O-CA 3.4Å; F206-L209 WeakPolarHBondContact O-CB 3.46Å; F206-L209 PolarHBondContact O-N 2.93Å; K207-L209 VanDerWaalsContact C-N 3.28Å; K207-L209 PolarHBondContact O-N 3.23Å
210	L	90.8	Very high	88.6	Confident	14 Å²	14	64.1 Å²	64.1	7%	0.073	33%	0.332	C	S	.	.	S	Bend	trans	-71	137.3	-179.4	-55.7	-176.2	0	0	0	111.9	F206 K207 V214 R215 W218 L236 L240	F206-L210 WeakPolarHBondContact O-CG 3.36Å; F206-L210 PolarHBondContact O-N 3.43Å; K207-L210 PolarHBondContact O-N 2.63Å; L210-V214 HydrophobicContact CB-CB 4.46Å; L210-V214 HydrophobicContact CB-CG1 4.48Å; L210-V214 HydrophobicContact CD1-CG1 4.23Å; L210-V214 HydrophobicContact CD2-CG1 4.34Å; L210-R215 HydrophobicContact CB-CB 4.19Å; L210-R215 PolarHBondContact O-NH2 3.24Å; L210-W218 HydrophobicContact CD1-CB 4.28Å; L210-L236 HydrophobicContact CD1-CD1 3.98Å; L210-L240 HydrophobicContact CD2-CD1 4.25Å; L210-L240 HydrophobicContact CD2-CD2 3.52Å; L210-L240 HydrophobicContact CD2-CG 4.45Å
211	P	88.4	Confident	88.7	Confident	76 Å²	76	65.9 Å²	65.9	49%	0.494	34%	0.338	S	S	.	.			trans	-56.4	150.8	166.2	-23.5	33.3	0	0	0	111.6	A213 V214 R215	P211-A213 PolarHBondContact O-N 2.85Å; P211-A213 VanDerWaalsContact O-N 3.09Å; P211-V214 HydrophobicContact CG-CG2 4.5Å; P211-V214 PolarHBondContact O-N 3.2Å; P211-V214 VanDerWaalsContact O-N 3.11Å; P211-R215 WeakPolarHBondContact O-CB 3.31Å; P211-R215 PolarHBondContact O-N 3.28Å
212	P	85.4	Confident	88.6	Confident	105 Å²	105	64.2 Å²	64.2	68%	0.682	33%	0.331	S	S	*	.	H	α-helix	trans	-52.4	-36.6	-177.7	-28.8	35.3	0	0	0	114.7	K216	P212-K216 WeakPolarHBondContact O-CB 3.27Å; P212-K216 PolarHBondContact O-N 3.01Å
213	A	86.6	Confident	88.1	Confident	71 Å²	71	66.2 Å²	66.2	59%	0.587	34%	0.341	S	S	*	.	H	α-helix	trans	-65.5	-48.1	178.7	0	0	0	0	0	112.6	P211 K216 K217	P211-A213 PolarHBondContact O-N 2.85Å; P211-A213 VanDerWaalsContact O-N 3.09Å; A213-K216 WeakPolarHBondContact O-CB 3.48Å; A213-K216 PolarHBondContact O-N 3.31Å; A213-K217 PolarHBondContact O-N 2.77Å
214	V	90.8	Very high	87.7	Confident	22 Å²	22	70 Å²	70	13%	0.133	37%	0.366	C	S	.	.	H	α-helix	trans	-67.9	-39	177.2	-178.4	0	0	0	0	110.5	L210 P211 K216 K217 W218 L239 L240 E243	L210-V214 HydrophobicContact CB-CB 4.46Å; L210-V214 HydrophobicContact CB-CG1 4.48Å; L210-V214 HydrophobicContact CD1-CG1 4.23Å; L210-V214 HydrophobicContact CD2-CG1 4.34Å; P211-V214 HydrophobicContact CG-CG2 4.5Å; P211-V214 PolarHBondContact O-N 3.2Å; P211-V214 VanDerWaalsContact O-N 3.11Å; V214-K216 VanDerWaalsContact C-N 3.32Å; V214-K216 PolarHBondContact O-N 3.23Å; V214-K217 WeakPolarHBondContact O-CB 3.44Å; V214-K217 PolarHBondContact O-N 2.83Å; V214-K217 VanDerWaalsContact O-N 3.16Å; V214-W218 PolarHBondContact O-N 3.06Å; V214-L239 HydrophobicContact CG1-CD2 3.89Å; V214-L240 HydrophobicContact CG1-CD2 3.76Å; V214-E243 HydrophobicContact CG1-CG 4.3Å
215	R	89.6	Confident	87.2	Confident	69 Å²	69	70.8 Å²	70.8	26%	0.26	37%	0.373	S	S	.	.	H	α-helix	trans	-59.4	-42.4	174.7	-168.9	-178.8	-60.6	160.7	5.3	111.6	K207 Q208 L210 P211 K217 W218 E219	K207-R215 HydrophobicContact CG-CG 4.18Å; K207-R215 PolarHBondContact O-NE 3.24Å; K207-R215 PolarHBondContact O-NH2 3.19Å; Q208-R215 PolarHBondContact O-NH2 2.9Å; Q208-R215 VanDerWaalsContact O-NH2 3.07Å; L210-R215 HydrophobicContact CB-CB 4.19Å; L210-R215 PolarHBondContact O-NH2 3.24Å; P211-R215 WeakPolarHBondContact O-CB 3.31Å; P211-R215 PolarHBondContact O-N 3.28Å; R215-K217 VanDerWaalsContact C-N 3.32Å; R215-K217 PolarHBondContact O-N 3.08Å; R215-W218 WeakPolarHBondContact O-CB 3.32Å; R215-W218 PolarHBondContact O-N 2.93Å; R215-E219 VanDerWaalsContact O-CG 3.29Å; R215-E219 WeakPolarHBondContact O-CG 3.47Å; R215-E219 PolarHBondContact O-N 3.38Å
216	K	87.7	Confident	86.2	Confident	162 Å²	162	75.2 Å²	75.2	70%	0.704	40%	0.402	S	S	*	.	H	α-helix	trans	-59.4	-42.2	175.2	-175.1	-179.7	178.1	-177.6	0	111.9	P212 A213 V214 E219 Q220	P212-K216 WeakPolarHBondContact O-CB 3.27Å; P212-K216 PolarHBondContact O-N 3.01Å; A213-K216 WeakPolarHBondContact O-CB 3.48Å; A213-K216 PolarHBondContact O-N 3.31Å; V214-K216 VanDerWaalsContact C-N 3.32Å; V214-K216 PolarHBondContact O-N 3.23Å; K216-E219 PolarHBondContact O-N 2.99Å; K216-Q220 WeakPolarHBondContact O-CB 3.46Å; K216-Q220 PolarHBondContact O-N 2.62Å
217	K	89.6	Confident	85.1	Confident	80 Å²	80	75.8 Å²	75.8	35%	0.348	41%	0.408	S	S	.	.	H	α-helix	trans	-65.3	-40.2	176	-66.6	179.9	177.6	-179.8	0	112.1	A213 V214 R215 Q220 K221 L239 E243	A213-K217 PolarHBondContact O-N 2.77Å; V214-K217 WeakPolarHBondContact O-CB 3.44Å; V214-K217 PolarHBondContact O-N 2.83Å; V214-K217 VanDerWaalsContact O-N 3.16Å; R215-K217 VanDerWaalsContact C-N 3.32Å; R215-K217 PolarHBondContact O-N 3.08Å; K217-Q220 PolarHBondContact O-N 2.67Å; K217-K221 PolarHBondContact O-N 3.1Å; K217-L239 HydrophobicContact CB-CD1 4.43Å; K217-E243 HydrophobicContact CD-CG 4.4Å; K217-E243 WeakPolarHBondContact CD-OE1 3.34Å; K217-E243 WeakPolarHBondContact CD-OE2 3.38Å; K217-E243 WeakPolarHBondContact CE-OE1 3.3Å; K217-E243 WeakPolarHBondContact CE-OE2 3.4Å; K217-E243 IonicContact NZ-OE1 2.65Å; K217-E243 PolarHBondContact NZ-OE1 3.31Å; K217-E243 IonicContact NZ-OE2 2.63Å; K217-E243 PolarHBondContact NZ-OE2 3.11Å
218	W	90.5	Very high	84	Confident	13 Å²	13	83.6 Å²	83.6	5%	0.049	44%	0.437	C	S	.	.	H	α-helix	trans	-58.9	-50.7	172.6	173.9	-105.4	0	0	0	111.7	L203 L210 V214 R215 Q220 K221 T222 I231 T235 L236 L239	L203-W218 HydrophobicContact CD2-CH2 4.09Å; L203-W218 HydrophobicContact CD2-CZ2 3.93Å; L210-W218 HydrophobicContact CD1-CB 4.28Å; V214-W218 PolarHBondContact O-N 3.06Å; R215-W218 WeakPolarHBondContact O-CB 3.32Å; R215-W218 PolarHBondContact O-N 2.93Å; W218-Q220 VanDerWaalsContact C-N 3.31Å; W218-Q220 PolarHBondContact O-N 3.21Å; W218-K221 PolarHBondContact O-N 3.44Å; W218-K221 VanDerWaalsContact O-N 3.17Å; W218-T222 HydrophobicContact CD2-CG2 4.09Å; W218-T222 HydrophobicContact CH2-CG2 4.2Å; W218-T222 HydrophobicContact CZ2-CG2 3.7Å; W218-T222 WeakPolarHBondContact O-CG2 3.21Å; W218-T222 PolarHBondContact O-N 3.23Å; W218-T222 PolarHBondContact O-OG1 3.23Å; W218-I231 HydrophobicContact CH2-CG2 3.59Å; W218-I231 HydrophobicContact CZ2-CG2 3.7Å; W218-T235 HydrophobicContact CZ3-CG2 4.31Å; W218-L236 HydrophobicContact CD2-CD1 3.88Å; W218-L236 HydrophobicContact CE3-CB 4.24Å; W218-L236 HydrophobicContact CE3-CD1 3.62Å; W218-L236 HydrophobicContact CG-CD1 4.47Å; W218-L236 HydrophobicContact CH2-CB 3.72Å; W218-L236 HydrophobicContact CH2-CD1 4.41Å; W218-L236 HydrophobicContact CZ2-CB 4.44Å; W218-L236 HydrophobicContact CZ3-CB 3.63Å; W218-L236 HydrophobicContact CZ3-CD1 3.93Å; W218-L236 HydrophobicContact CZ3-CG 4.39Å; W218-L239 HydrophobicContact CE3-CD1 4.26Å
219	E	87.4	Confident	82.9	Confident	56 Å²	56	88.5 Å²	88.5	26%	0.262	46%	0.46	S	S	.	.	H	α-helix	trans	-57.5	-45.4	177.5	-65.5	-74	-168.9	0	0	111.3	K207 R215 K216 K221 T222 L223	K207-E219 WeakPolarHBondContact CE-OE1 3.33Å; K207-E219 IonicContact NZ-OE1 3.81Å; K207-E219 PolarHBondContact NZ-OE1 2.69Å; K207-E219 IonicContact NZ-OE2 2.6Å; R215-E219 VanDerWaalsContact O-CG 3.29Å; R215-E219 WeakPolarHBondContact O-CG 3.47Å; R215-E219 PolarHBondContact O-N 3.38Å; K216-E219 PolarHBondContact O-N 2.99Å; E219-K221 PolarHBondContact O-N 2.92Å; E219-T222 WeakPolarHBondContact CA-OG1 3.38Å; E219-T222 PolarHBondContact O-N 2.87Å; E219-T222 PolarHBondContact O-OG1 3.33Å; E219-L223 WeakPolarHBondContact O-CB 3.48Å; E219-L223 WeakPolarHBondContact O-CG 3.18Å; E219-L223 PolarHBondContact O-N 3.14Å
220	Q	85.7	Confident	81.9	Confident	122 Å²	122	87.1 Å²	87.1	57%	0.57	45%	0.454	S	S	*	.	H	α-helix	trans	-57.2	-48	177.1	-173.2	174.3	3.2	0	0	111.4	K216 K217 W218 T222 L223 T224	K216-Q220 WeakPolarHBondContact O-CB 3.46Å; K216-Q220 PolarHBondContact O-N 2.62Å; K217-Q220 PolarHBondContact O-N 2.67Å; W218-Q220 VanDerWaalsContact C-N 3.31Å; W218-Q220 PolarHBondContact O-N 3.21Å; Q220-T222 PolarHBondContact O-N 2.92Å; Q220-L223 PolarHBondContact O-N 3.1Å; Q220-T224 WeakPolarHBondContact O-CG2 3.49Å; Q220-T224 PolarHBondContact O-N 3.2Å; Q220-T224 VanDerWaalsContact O-N 3.1Å; Q220-T224 PolarHBondContact O-OG1 3.23Å
221	K	85.8	Confident	81.5	Confident	77 Å²	77	88.2 Å²	88.2	34%	0.335	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-39.5	177.9	-171.5	172.8	-177.8	-179	0	112.4	K217 W218 E219 A225 T235 L239	K217-K221 PolarHBondContact O-N 3.1Å; W218-K221 PolarHBondContact O-N 3.44Å; W218-K221 VanDerWaalsContact O-N 3.17Å; E219-K221 PolarHBondContact O-N 2.92Å; K221-A225 WeakPolarHBondContact O-CB 3.44Å; K221-A225 PolarHBondContact O-N 3.06Å; K221-A225 VanDerWaalsContact O-N 3.12Å; K221-T235 HydrophobicContact CD-CG2 4.42Å; K221-T235 PolarHBondContact NZ-O 3.38Å; K221-L239 HydrophobicContact CB-CD1 4.28Å; K221-L239 HydrophobicContact CD-CB 4.49Å; K221-L239 HydrophobicContact CD-CD1 3.81Å
222	T	84.3	Confident	81.3	Confident	27 Å²	27	86.4 Å²	86.4	17%	0.166	45%	0.447	C	S	.	.	H	α-helix	trans	-71.8	-34	178.5	56.6	0	0	0	0	113.3	W218 E219 Q220 I231	W218-T222 HydrophobicContact CD2-CG2 4.09Å; W218-T222 HydrophobicContact CH2-CG2 4.2Å; W218-T222 HydrophobicContact CZ2-CG2 3.7Å; W218-T222 WeakPolarHBondContact O-CG2 3.21Å; W218-T222 PolarHBondContact O-N 3.23Å; W218-T222 PolarHBondContact O-OG1 3.23Å; E219-T222 WeakPolarHBondContact CA-OG1 3.38Å; E219-T222 PolarHBondContact O-N 2.87Å; E219-T222 PolarHBondContact O-OG1 3.33Å; Q220-T222 PolarHBondContact O-N 2.92Å; T222-I231 HydrophobicContact CG2-CD1 4.22Å; T222-I231 HydrophobicContact CG2-CG1 4.41Å; T222-I231 HydrophobicContact CG2-CG2 4.07Å
223	L	78.6	Confident	81.4	Confident	106 Å²	106	82.6 Å²	82.6	56%	0.555	42%	0.421	S	S	*	.	H	α-helix	trans	-74.2	-30.7	178.3	-73.7	168.7	0	0	0	112.4	E219 Q220	E219-L223 WeakPolarHBondContact O-CB 3.48Å; E219-L223 WeakPolarHBondContact O-CG 3.18Å; E219-L223 PolarHBondContact O-N 3.14Å; Q220-L223 PolarHBondContact O-N 3.1Å
224	T	81	Confident	81.5	Confident	102 Å²	102	86.3 Å²	86.3	63%	0.626	42%	0.424	S	S	*	.	H	α-helix	trans	-96.1	-4	-179.7	60.6	0	0	0	0	114.5	Q220 V226	Q220-T224 WeakPolarHBondContact O-CG2 3.49Å; Q220-T224 PolarHBondContact O-N 3.2Å; Q220-T224 VanDerWaalsContact O-N 3.1Å; Q220-T224 PolarHBondContact O-OG1 3.23Å; T224-V226 PolarHBondContact O-N 3.11Å
225	A	78.6	Confident	81.4	Confident	29 Å²	29	86.6 Å²	86.6	24%	0.24	43%	0.425	C	S	.	.			trans	-64.2	124.2	176.9	0	0	0	0	0	110.8	K221 D227 I231	K221-A225 WeakPolarHBondContact O-CB 3.44Å; K221-A225 PolarHBondContact O-N 3.06Å; K221-A225 VanDerWaalsContact O-N 3.12Å; A225-D227 PolarHBondContact O-N 3.43Å; A225-I231 HydrophobicContact CB-CD1 3.88Å; A225-I231 HydrophobicContact CB-CG1 4.5Å
226	V	70.1	Confident	81.5	Confident	157 Å²	157	83.3 Å²	83.3	95%	0.952	41%	0.413	S	S	*	.	S	Bend	trans	-61.7	-31.4	177.3	-177.9	0	0	0	0	111	T224	T224-V226 PolarHBondContact O-N 3.11Å
227	D	68.4	Low	81.7	Confident	74 Å²	74	80.7 Å²	80.7	40%	0.396	40%	0.402	S	S	.	.			trans	-124.6	98.6	178.1	-172	-7.3	0	0	0	110.3	A225 E229 N230	A225-D227 PolarHBondContact O-N 3.43Å; D227-E229 PolarHBondContact O-N 2.69Å; D227-E229 WeakPolarHBondContact OD1-CB 3.41Å; D227-E229 PolarHBondContact OD1-N 3.13Å; D227-N230 HydrophobicContact CB-CB 4.27Å; D227-N230 PolarHBondContact O-N 3.46Å; D227-N230 PolarHBondContact OD2-ND2 3.14Å
228	R	66.6	Low	81.7	Confident	178 Å²	178	79.7 Å²	79.7	67%	0.672	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-69.1	-19.8	179.4	-67.9	-175.1	179.8	178	2.8	112.7	N230	R228-N230 VanDerWaalsContact C-N 3.27Å
229	E	64.8	Low	81.8	Confident	184 Å²	184	79.8 Å²	79.8	86%	0.86	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-76.6	-17.8	177.8	-63	-169.8	157.7	0	0	112	D227	D227-E229 PolarHBondContact O-N 2.69Å; D227-E229 WeakPolarHBondContact OD1-CB 3.41Å; D227-E229 PolarHBondContact OD1-N 3.13Å
230	N	70.1	Confident	82	Confident	106 Å²	106	79.2 Å²	79.2	57%	0.567	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-89.8	6.4	177.7	-92.6	-36	0	0	0	114.7	D227 R228 T232 T235	D227-N230 HydrophobicContact CB-CB 4.27Å; D227-N230 PolarHBondContact O-N 3.46Å; D227-N230 PolarHBondContact OD2-ND2 3.14Å; R228-N230 VanDerWaalsContact C-N 3.27Å; N230-T232 PolarHBondContact O-N 3.28Å; N230-T232 VanDerWaalsContact O-N 3.16Å; N230-T235 PolarHBondContact O-OG1 3.35Å
231	I	80.9	Confident	82.1	Confident	36 Å²	36	81 Å²	81	19%	0.185	40%	0.401	C	S	.	.			trans	-76	104.1	173.4	-60.1	-62.9	0	0	0	109.6	W218 T222 A225 T235	W218-I231 HydrophobicContact CH2-CG2 3.59Å; W218-I231 HydrophobicContact CZ2-CG2 3.7Å; T222-I231 HydrophobicContact CG2-CD1 4.22Å; T222-I231 HydrophobicContact CG2-CG1 4.41Å; T222-I231 HydrophobicContact CG2-CG2 4.07Å; A225-I231 HydrophobicContact CB-CD1 3.88Å; A225-I231 HydrophobicContact CB-CG1 4.5Å; I231-T235 HydrophobicContact CD1-CG2 4.19Å
232	T	85.2	Confident	82.2	Confident	39 Å²	39	80.9 Å²	80.9	24%	0.239	41%	0.408	C	S	.	.			trans	-116.4	171.4	-178.2	58.3	0	0	0	0	111.1	E199 N230 K234 T235 L236	E199-T232 WeakPolarHBondContact OE1-CA 3.5Å; E199-T232 VanDerWaalsContact OE1-CB 3.23Å; E199-T232 WeakPolarHBondContact OE1-CB 3.42Å; N230-T232 PolarHBondContact O-N 3.28Å; N230-T232 VanDerWaalsContact O-N 3.16Å; T232-K234 PolarHBondContact O-N 3.33Å; T232-K234 PolarHBondContact OG1-N 2.79Å; T232-T235 PolarHBondContact N-OG1 3.33Å; T232-T235 WeakPolarHBondContact O-CB 3.2Å; T232-T235 PolarHBondContact O-N 3.18Å; T232-T235 VanDerWaalsContact O-N 3.14Å; T232-T235 PolarHBondContact OG1-N 3.3Å; T232-T235 PolarHBondContact OG1-OG1 2.87Å; T232-L236 PolarHBondContact O-N 3.48Å
233	L	87.1	Confident	82.4	Confident	25 Å²	25	80.7 Å²	80.7	13%	0.131	41%	0.405	C	S	.	.	H	α-helix	trans	-56.6	-34.8	168.1	-88.4	168.2	0	0	0	111.9	E199 L202 L203 F206 T235 L236 F237	E199-L233 HydrophobicContact CB-CD1 4.24Å; E199-L233 HydrophobicContact CG-CB 4.24Å; E199-L233 HydrophobicContact CG-CD1 3.88Å; E199-L233 HydrophobicContact CG-CG 3.82Å; E199-L233 PolarHBondContact OE1-N 2.91Å; L202-L233 HydrophobicContact CB-CD1 3.85Å; L202-L233 HydrophobicContact CB-CD2 4.06Å; L202-L233 HydrophobicContact CB-CG 4.39Å; L202-L233 HydrophobicContact CD1-CD1 3.74Å; L202-L233 HydrophobicContact CG-CD1 4.47Å; L203-L233 HydrophobicContact CD2-CD2 4.04Å; L203-L233 HydrophobicContact CD2-CG 4.28Å; L203-L233 HydrophobicContact CG-CD2 4.19Å; L203-L233 HydrophobicContact CG-CG 4.17Å; F206-L233 HydrophobicContact CD2-CD2 3.43Å; F206-L233 VanDerWaalsContact CD2-CD2 3.43Å; F206-L233 HydrophobicContact CE2-CD2 3.55Å; L233-T235 VanDerWaalsContact C-N 3.33Å; L233-T235 PolarHBondContact O-N 3.35Å; L233-L236 HydrophobicContact CD2-CD2 4.44Å; L233-L236 WeakPolarHBondContact O-CB 3.28Å; L233-L236 PolarHBondContact O-N 3.04Å; L233-F237 HydrophobicContact CB-CD2 4.5Å; L233-F237 HydrophobicContact CB-CE2 4.43Å; L233-F237 HydrophobicContact CD2-CE2 4.35Å; L233-F237 WeakPolarHBondContact O-CD2 3.34Å; L233-F237 PolarHBondContact O-N 2.96Å
234	K	88.1	Confident	82.7	Confident	149 Å²	149	79 Å²	79	65%	0.648	40%	0.399	S	S	*	.	H	α-helix	trans	-58.8	-45.8	175.3	-174.3	-177	175.7	-174.4	0	111	T232 L236 F237 D238	T232-K234 PolarHBondContact O-N 3.33Å; T232-K234 PolarHBondContact OG1-N 2.79Å; K234-L236 PolarHBondContact O-N 2.97Å; K234-F237 PolarHBondContact O-N 2.83Å; K234-F237 VanDerWaalsContact O-N 3.13Å; K234-D238 VanDerWaalsContact O-CG 3.32Å; K234-D238 PolarHBondContact O-N 3.49Å
235	T	89.3	Confident	82.8	Confident	27 Å²	27	78 Å²	78	17%	0.166	39%	0.39	C	S	.	.	H	α-helix	trans	-58.9	-35.5	177.4	-49	0	0	0	0	112.6	W218 K221 N230 I231 T232 L233 L239	W218-T235 HydrophobicContact CZ3-CG2 4.31Å; K221-T235 HydrophobicContact CD-CG2 4.42Å; K221-T235 PolarHBondContact NZ-O 3.38Å; N230-T235 PolarHBondContact O-OG1 3.35Å; I231-T235 HydrophobicContact CD1-CG2 4.19Å; T232-T235 PolarHBondContact N-OG1 3.33Å; T232-T235 WeakPolarHBondContact O-CB 3.2Å; T232-T235 PolarHBondContact O-N 3.18Å; T232-T235 VanDerWaalsContact O-N 3.14Å; T232-T235 PolarHBondContact OG1-N 3.3Å; T232-T235 PolarHBondContact OG1-OG1 2.87Å; L233-T235 VanDerWaalsContact C-N 3.33Å; L233-T235 PolarHBondContact O-N 3.35Å; T235-L239 PolarHBondContact O-N 3.01Å
236	L	91.1	Very high	83	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-69.2	-48.8	173.8	175.8	63.1	0	0	0	111.4	L203 F206 L210 W218 T232 L233 K234 D238 L239 L240	L203-L236 HydrophobicContact CD2-CB 4.03Å; L203-L236 HydrophobicContact CD2-CD2 4.01Å; F206-L236 HydrophobicContact CB-CD2 3.65Å; F206-L236 HydrophobicContact CD2-CD2 4.07Å; F206-L236 HydrophobicContact CG-CD2 4.4Å; L210-L236 HydrophobicContact CD1-CD1 3.98Å; W218-L236 HydrophobicContact CD2-CD1 3.88Å; W218-L236 HydrophobicContact CE3-CB 4.24Å; W218-L236 HydrophobicContact CE3-CD1 3.62Å; W218-L236 HydrophobicContact CG-CD1 4.47Å; W218-L236 HydrophobicContact CH2-CB 3.72Å; W218-L236 HydrophobicContact CH2-CD1 4.41Å; W218-L236 HydrophobicContact CZ2-CB 4.44Å; W218-L236 HydrophobicContact CZ3-CB 3.63Å; W218-L236 HydrophobicContact CZ3-CD1 3.93Å; W218-L236 HydrophobicContact CZ3-CG 4.39Å; T232-L236 PolarHBondContact O-N 3.48Å; L233-L236 HydrophobicContact CD2-CD2 4.44Å; L233-L236 WeakPolarHBondContact O-CB 3.28Å; L233-L236 PolarHBondContact O-N 3.04Å; K234-L236 PolarHBondContact O-N 2.97Å; L236-D238 VanDerWaalsContact C-N 3.29Å; L236-D238 PolarHBondContact O-N 3.45Å; L236-L239 PolarHBondContact O-N 3.4Å; L236-L240 HydrophobicContact CD1-CD1 4.28Å; L236-L240 HydrophobicContact CD1-CG 4.25Å; L236-L240 HydrophobicContact CG-CD1 4.13Å; L236-L240 HydrophobicContact CG-CG 4.48Å; L236-L240 WeakPolarHBondContact O-CG 3.36Å; L236-L240 PolarHBondContact O-N 3.24Å
237	F	92.2	Very high	83.4	Confident	107 Å²	107	76.6 Å²	76.6	47%	0.469	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-36.6	178	-78.1	-64.5	0	0	0	112.9	F206 L233 K234 L240 R241	F206-F237 HydrophobicContact CD2-CZ 4.45Å; F206-F237 HydrophobicContact CE2-CE2 4.3Å; F206-F237 AromaticContact CE2-CZ 3.91Å; F206-F237 HydrophobicContact CE2-CZ 3.91Å; L233-F237 HydrophobicContact CB-CD2 4.5Å; L233-F237 HydrophobicContact CB-CE2 4.43Å; L233-F237 HydrophobicContact CD2-CE2 4.35Å; L233-F237 WeakPolarHBondContact O-CD2 3.34Å; L233-F237 PolarHBondContact O-N 2.96Å; K234-F237 PolarHBondContact O-N 2.83Å; K234-F237 VanDerWaalsContact O-N 3.13Å; F237-L240 PolarHBondContact O-N 3.17Å; F237-R241 WeakPolarHBondContact O-CB 3.48Å; F237-R241 PolarHBondContact O-N 3.45Å
238	D	90.5	Very high	83.8	Confident	60 Å²	60	79.8 Å²	79.8	32%	0.321	38%	0.382	S	S	.	.	H	α-helix	trans	-64.6	-41.9	175	-68.9	-26.3	0	0	0	111.2	K234 L236 R241 T242	K234-D238 VanDerWaalsContact O-CG 3.32Å; K234-D238 PolarHBondContact O-N 3.49Å; L236-D238 VanDerWaalsContact C-N 3.29Å; L236-D238 PolarHBondContact O-N 3.45Å; D238-R241 PolarHBondContact O-N 3.01Å; D238-R241 IonicContact OD1-NH1 2.79Å; D238-T242 PolarHBondContact O-N 3.28Å; D238-T242 PolarHBondContact O-OG1 2.88Å; D238-T242 VanDerWaalsContact O-OG1 3.09Å
239	L	91.5	Very high	84.1	Confident	15 Å²	15	76.9 Å²	76.9	8%	0.079	39%	0.388	C	S	.	.	H	α-helix	trans	-62.9	-44.1	173.6	178.4	144.5	0	0	0	111.3	V214 K217 W218 K221 T235 L236 R241 T242 E243	V214-L239 HydrophobicContact CG1-CD2 3.89Å; K217-L239 HydrophobicContact CB-CD1 4.43Å; W218-L239 HydrophobicContact CE3-CD1 4.26Å; K221-L239 HydrophobicContact CB-CD1 4.28Å; K221-L239 HydrophobicContact CD-CB 4.49Å; K221-L239 HydrophobicContact CD-CD1 3.81Å; T235-L239 PolarHBondContact O-N 3.01Å; L236-L239 PolarHBondContact O-N 3.4Å; L239-R241 VanDerWaalsContact C-N 3.33Å; L239-R241 PolarHBondContact O-N 3.14Å; L239-T242 PolarHBondContact O-N 3.17Å; L239-E243 HydrophobicContact CD2-CG 4.13Å; L239-E243 WeakPolarHBondContact O-CG 3.46Å; L239-E243 PolarHBondContact O-N 3.29Å
240	L	91.3	Very high	84.2	Confident	44 Å²	44	72.4 Å²	72.4	23%	0.23	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-38.6	178.5	-67.2	175.4	0	0	0	112	L210 V214 L236 F237 E243 V244	L210-L240 HydrophobicContact CD2-CD1 4.25Å; L210-L240 HydrophobicContact CD2-CD2 3.52Å; L210-L240 HydrophobicContact CD2-CG 4.45Å; V214-L240 HydrophobicContact CG1-CD2 3.76Å; L236-L240 HydrophobicContact CD1-CD1 4.28Å; L236-L240 HydrophobicContact CD1-CG 4.25Å; L236-L240 HydrophobicContact CG-CD1 4.13Å; L236-L240 HydrophobicContact CG-CG 4.48Å; L236-L240 WeakPolarHBondContact O-CG 3.36Å; L236-L240 PolarHBondContact O-N 3.24Å; F237-L240 PolarHBondContact O-N 3.17Å; L240-E243 PolarHBondContact O-N 2.75Å; L240-V244 WeakPolarHBondContact O-CB 3.37Å; L240-V244 VanDerWaalsContact O-CG2 3.24Å; L240-V244 WeakPolarHBondContact O-CG2 3.13Å; L240-V244 PolarHBondContact O-N 2.82Å
241	R	89.5	Confident	83.2	Confident	158 Å²	158	74.3 Å²	74.3	60%	0.596	38%	0.376	S	S	*	.	H	α-helix	trans	-59.4	-50.1	173.7	-175.6	-179.6	-71.2	146.8	-2.3	110.5	F237 D238 L239 E243 V244 D245	F237-R241 WeakPolarHBondContact O-CB 3.48Å; F237-R241 PolarHBondContact O-N 3.45Å; D238-R241 PolarHBondContact O-N 3.01Å; D238-R241 IonicContact OD1-NH1 2.79Å; L239-R241 VanDerWaalsContact C-N 3.33Å; L239-R241 PolarHBondContact O-N 3.14Å; R241-E243 VanDerWaalsContact C-N 3.31Å; R241-E243 PolarHBondContact O-N 3.42Å; R241-V244 WeakPolarHBondContact O-CB 3.31Å; R241-V244 PolarHBondContact O-N 3.09Å; R241-V244 VanDerWaalsContact O-N 3.15Å; R241-D245 PolarHBondContact O-N 3.04Å
242	T	87.6	Confident	81.6	Confident	76 Å²	76	81.2 Å²	81.2	47%	0.466	41%	0.407	S	S	.	.	H	α-helix	trans	-58.4	-41.5	176	-55.5	0	0	0	0	112.4	D238 L239 D245 I246	D238-T242 PolarHBondContact O-N 3.28Å; D238-T242 PolarHBondContact O-OG1 2.88Å; D238-T242 VanDerWaalsContact O-OG1 3.09Å; L239-T242 PolarHBondContact O-N 3.17Å; T242-D245 PolarHBondContact O-N 2.73Å; T242-I246 HydrophobicContact CG2-CD1 3.95Å; T242-I246 WeakPolarHBondContact O-CD1 3.45Å; T242-I246 WeakPolarHBondContact O-CG1 3.43Å; T242-I246 PolarHBondContact O-N 3.12Å
243	E	87.3	Confident	79.3	Confident	22 Å²	22	85.3 Å²	85.3	10%	0.103	43%	0.434	C	S	.	.	H	α-helix	trans	-67.7	-37	176.9	-71.4	-64.1	125	0	0	112.9	V214 K217 L239 L240 R241 I246 E247	V214-E243 HydrophobicContact CG1-CG 4.3Å; K217-E243 HydrophobicContact CD-CG 4.4Å; K217-E243 WeakPolarHBondContact CD-OE1 3.34Å; K217-E243 WeakPolarHBondContact CD-OE2 3.38Å; K217-E243 WeakPolarHBondContact CE-OE1 3.3Å; K217-E243 WeakPolarHBondContact CE-OE2 3.4Å; K217-E243 IonicContact NZ-OE1 2.65Å; K217-E243 PolarHBondContact NZ-OE1 3.31Å; K217-E243 IonicContact NZ-OE2 2.63Å; K217-E243 PolarHBondContact NZ-OE2 3.11Å; L239-E243 HydrophobicContact CD2-CG 4.13Å; L239-E243 WeakPolarHBondContact O-CG 3.46Å; L239-E243 PolarHBondContact O-N 3.29Å; L240-E243 PolarHBondContact O-N 2.75Å; R241-E243 VanDerWaalsContact C-N 3.31Å; R241-E243 PolarHBondContact O-N 3.42Å; E243-I246 PolarHBondContact O-N 3.24Å; E243-E247 VanDerWaalsContact O-CB 3.3Å; E243-E247 WeakPolarHBondContact O-CB 3.5Å; E243-E247 WeakPolarHBondContact O-CG 3.48Å; E243-E247 PolarHBondContact O-N 3.4Å
244	V	85.1	Confident	77	Confident	71 Å²	71	88.3 Å²	88.3	43%	0.43	46%	0.463	S	S	.	.	H	α-helix	trans	-62.5	-49.1	172.4	167.4	0	0	0	0	109.8	L240 R241 I246 E247 E248	L240-V244 WeakPolarHBondContact O-CB 3.37Å; L240-V244 VanDerWaalsContact O-CG2 3.24Å; L240-V244 WeakPolarHBondContact O-CG2 3.13Å; L240-V244 PolarHBondContact O-N 2.82Å; R241-V244 WeakPolarHBondContact O-CB 3.31Å; R241-V244 PolarHBondContact O-N 3.09Å; R241-V244 VanDerWaalsContact O-N 3.15Å; V244-I246 VanDerWaalsContact C-N 3.31Å; V244-I246 PolarHBondContact O-N 3.1Å; V244-E247 PolarHBondContact O-N 3.43Å; V244-E247 VanDerWaalsContact O-N 3.14Å; V244-E248 HydrophobicContact CG1-CG 4.22Å; V244-E248 WeakPolarHBondContact O-CB 3.41Å; V244-E248 WeakPolarHBondContact O-CG 3.46Å; V244-E248 PolarHBondContact O-N 2.99Å
245	D	83.1	Confident	74.7	Confident	81 Å²	81	90.3 Å²	90.3	43%	0.433	47%	0.472	S	S	.	.	H	α-helix	trans	-58	-43.6	178.5	-59.8	-27.7	0	0	0	110.9	R241 T242 E248 C249	R241-D245 PolarHBondContact O-N 3.04Å; T242-D245 PolarHBondContact O-N 2.73Å; D245-E248 PolarHBondContact O-N 3.06Å; D245-C249 WeakPolarHBondContact O-CB 3.29Å; D245-C249 PolarHBondContact O-N 3.02Å; D245-C249 PolarHBondContact O-SG 3.35Å
246	I	83.2	Confident	72.2	Confident	74 Å²	74	95.1 Å²	95.1	38%	0.379	50%	0.501	S	S	.	.	H	α-helix	trans	-63.8	-45.5	176	-69	164.6	0	0	0	111.4	T242 E243 V244 E248 C249 T250	T242-I246 HydrophobicContact CG2-CD1 3.95Å; T242-I246 WeakPolarHBondContact O-CD1 3.45Å; T242-I246 WeakPolarHBondContact O-CG1 3.43Å; T242-I246 PolarHBondContact O-N 3.12Å; E243-I246 PolarHBondContact O-N 3.24Å; V244-I246 VanDerWaalsContact C-N 3.31Å; V244-I246 PolarHBondContact O-N 3.1Å; I246-E248 VanDerWaalsContact C-N 3.34Å; I246-C249 PolarHBondContact O-N 2.96Å; I246-T250 HydrophobicContact CG2-CG2 4.42Å; I246-T250 WeakPolarHBondContact O-CB 3.29Å; I246-T250 VanDerWaalsContact O-CG2 3.26Å; I246-T250 WeakPolarHBondContact O-CG2 3.31Å; I246-T250 PolarHBondContact O-N 3.12Å; I246-T250 PolarHBondContact O-OG1 3.39Å
247	E	77.7	Confident	69.5	Low	82 Å²	82	100.2 Å²	100.2	38%	0.383	54%	0.537	S	S	.	.	H	α-helix	trans	-66.3	-36.3	179.2	-76.3	-77.9	147.3	0	0	111.9	E243 V244 T250 K251	E243-E247 VanDerWaalsContact O-CB 3.3Å; E243-E247 WeakPolarHBondContact O-CB 3.5Å; E243-E247 WeakPolarHBondContact O-CG 3.48Å; E243-E247 PolarHBondContact O-N 3.4Å; V244-E247 PolarHBondContact O-N 3.43Å; V244-E247 VanDerWaalsContact O-N 3.14Å; E247-T250 VanDerWaalsContact CA-OG1 3.27Å; E247-T250 WeakPolarHBondContact CA-OG1 3.34Å; E247-T250 PolarHBondContact O-N 2.95Å; E247-T250 PolarHBondContact O-OG1 2.87Å; E247-K251 WeakPolarHBondContact O-CB 3.36Å; E247-K251 VanDerWaalsContact O-CG 3.23Å; E247-K251 WeakPolarHBondContact O-CG 3.48Å; E247-K251 PolarHBondContact O-N 3.45Å; E247-K251 WeakPolarHBondContact OE2-CE 3.18Å; E247-K251 IonicContact OE2-NZ 3.91Å; E247-K251 PolarHBondContact OE2-NZ 2.89Å
248	E	77.2	Confident	66.6	Low	142 Å²	142	104 Å²	104	66%	0.664	55%	0.553	S	S	*	*	H	α-helix	trans	-68.2	-36.8	173.6	-73.7	-178.3	174.9	0	0	111.6	V244 D245 I246 T250	V244-E248 HydrophobicContact CG1-CG 4.22Å; V244-E248 WeakPolarHBondContact O-CB 3.41Å; V244-E248 WeakPolarHBondContact O-CG 3.46Å; V244-E248 PolarHBondContact O-N 2.99Å; D245-E248 PolarHBondContact O-N 3.06Å; I246-E248 VanDerWaalsContact C-N 3.34Å; E248-T250 VanDerWaalsContact C-N 3.3Å; E248-T250 PolarHBondContact O-N 3.1Å
249	C	72.9	Confident	63.9	Low	117 Å²	117	108.3 Å²	108.3	79%	0.791	58%	0.581	S	S	*	*	H	α-helix	trans	-71	-20.6	172.2	-69.3	0	0	0	0	114	D245 I246	D245-C249 WeakPolarHBondContact O-CB 3.29Å; D245-C249 PolarHBondContact O-N 3.02Å; D245-C249 PolarHBondContact O-SG 3.35Å; I246-C249 PolarHBondContact O-N 2.96Å
250	T	66.6	Low	61	Low	90 Å²	90	117.3 Å²	117.3	55%	0.552	61%	0.614	S	S	*	*	H	α-helix	trans	-105.6	-14.5	-174	51	0	0	0	0	114.3	I246 E247 E248 H252	I246-T250 HydrophobicContact CG2-CG2 4.42Å; I246-T250 WeakPolarHBondContact O-CB 3.29Å; I246-T250 VanDerWaalsContact O-CG2 3.26Å; I246-T250 WeakPolarHBondContact O-CG2 3.31Å; I246-T250 PolarHBondContact O-N 3.12Å; I246-T250 PolarHBondContact O-OG1 3.39Å; E247-T250 VanDerWaalsContact CA-OG1 3.27Å; E247-T250 WeakPolarHBondContact CA-OG1 3.34Å; E247-T250 PolarHBondContact O-N 2.95Å; E247-T250 PolarHBondContact O-OG1 2.87Å; E248-T250 VanDerWaalsContact C-N 3.3Å; E248-T250 PolarHBondContact O-N 3.1Å; T250-H252 PolarHBondContact O-N 3.24Å; T250-H252 VanDerWaalsContact O-N 3.09Å
251	K	50.4	Low	58.1	Low	145 Å²	145	120.9 Å²	120.9	63%	0.63	64%	0.638	S	S	*	*			trans	-84.2	79.3	179.9	-78.3	174.2	-177	152.1	0	113.5	E247	E247-K251 WeakPolarHBondContact O-CB 3.36Å; E247-K251 VanDerWaalsContact O-CG 3.23Å; E247-K251 WeakPolarHBondContact O-CG 3.48Å; E247-K251 PolarHBondContact O-N 3.45Å; E247-K251 WeakPolarHBondContact OE2-CE 3.18Å; E247-K251 IonicContact OE2-NZ 3.91Å; E247-K251 PolarHBondContact OE2-NZ 2.89Å
252	H	45.9	Very low	55.4	Low	182 Å²	182	119.7 Å²	119.7	84%	0.843	64%	0.639	S	S	*	*			trans	-71.9	137.8	149.2	-113.5	-78.9	0	0	0	109.6	T250 A254	T250-H252 PolarHBondContact O-N 3.24Å; T250-H252 VanDerWaalsContact O-N 3.09Å; H252-A254 PolarHBondContact O-N 2.82Å
253	P	36.8	Very low	52.6	Low	124 Å²	124	126.3 Å²	126.3	81%	0.805	66%	0.656	S	S	*	*			trans	-86.1	114	-168.7	31.4	-31.1	0	0	0	112.1
254	A	39.4	Very low	49.8	Very low	88 Å²	88	130 Å²	130	73%	0.727	68%	0.68	S	S	*	*			trans	-160.1	117.3	157.3	0	0	0	0	0	114.3	H252	H252-A254 PolarHBondContact O-N 2.82Å
255	F	39.5	Very low	47.4	Very low	192 Å²	192	134.8 Å²	134.8	84%	0.842	70%	0.698	S	S	*	*			trans	81.7	107.6	137.7	-89.2	-110.7	0	0	0	123.2
256	V	37.6	Very low	44.9	Very low	127 Å²	127	140.4 Å²	140.4	77%	0.77	72%	0.718	S	S	*	*				76.8	143.4	122.3	172.6	0	0	0	0	118.8
257	S	34.4	Very low	42.3	Very low	108 Å²	108	144.3 Å²	144.3	76%	0.755	74%	0.74	S	S	*	*			cis	-169	159.8	-25	-174.8	0	0	0	0	106.5
258	K	31.8	Very low	40.1	Very low	187 Å²	187	146.3 Å²	146.3	81%	0.813	76%	0.763	S	S	*	*			trans	-67	153.4	-174.2	-64	162.3	173.4	171.8	0	113.3
259	T	34	Very low	37.7	Very low	149 Å²	149	147 Å²	147	91%	0.914	77%	0.771	S	S	*	*				-169.5	139	116.5	9.8	0	0	0	0	115.2
260	R	29.2	Very low	35.6	Very low	204 Å²	204	150.8 Å²	150.8	77%	0.77	78%	0.78	S	S	*	*			trans	-133.3	134.3	175.7	175.2	-166.3	99.3	164.7	5.5	106.4
261	T	30.9	Very low	33.7	Very low	119 Å²	119	155 Å²	155	73%	0.73	79%	0.79	S	S	*	*			trans	176.1	119.4	151.9	22.2	0	0	0	0	108.5
262	Q	33	Very low	32.7	Very low	134 Å²	134	157.8 Å²	157.8	63%	0.626	80%	0.797	S	S	*	*				80.3	134.4	69.1	-92.1	-164.1	12.6	0	0	116.6
263	R	29.4	Very low	31.9	Very low	214 Å²	214	155.7 Å²	155.7	81%	0.808	79%	0.792	S	S	*	*			trans	76.9	146.9	149.4	-72.9	179	129.9	173.4	-2.4	116.8
264	T	28.8	Very low	31.6	Very low	100 Å²	100	156.6 Å²	156.6	61%	0.613	79%	0.79	S	S	*	*			cis	-176.3	152.2	8.6	16.8	0	0	0	0	109.9
265	Q	33.7	Very low	31.1	Very low	171 Å²	171	155.1 Å²	155.1	80%	0.799	78%	0.784	S	S	*	*			trans	41	133.1	138.7	-64.2	175.7	-22.4	0	0	122
266	K	29.8	Very low	30.7	Very low	200 Å²	200	152.8 Å²	152.8	87%	0.87	78%	0.775	S	S	*	*				-179.9	147.5	104.3	-105.1	178.7	178.4	176.9	0	114.7
267	N	28.9	Very low	30.4	Very low	155 Å²	155	156 Å²	156	83%	0.829	78%	0.775	S	S	*	*			trans	-59.3	158.5	174.3	-61.6	-29.6	0	0	0	114.8
268	S	31.4	Very low	30.2	Very low	124 Å²	124	156.6 Å²	156.6	87%	0.867	78%	0.779	S	S	*	*				180	147.4	114.1	46.2	0	0	0	0	113.5
269	N	27.9	Very low	30.1	Very low	156 Å²	156	152 Å²	152	83%	0.834	78%	0.776	S	S	*	*			trans	-68.7	153	178.8	-64	-50.7	0	0	0	113.3
270	M	28.1	Very low	29.9	Very low	198 Å²	198	151.8 Å²	151.8	98%	0.975	77%	0.774	S	S	*	*				-167.7	155	125.7	-119	151.9	68.6	0	0	114.3
271	K	28.2	Very low	30.1	Very low	178 Å²	178	146.6 Å²	146.6	77%	0.774	78%	0.775	S	S	*	*			trans	-98.7	156	-161.7	-96.6	176.4	175.9	172.5	0	113.8
272	R	28.4	Very low	29.9	Very low	203 Å²	203	148.6 Å²	148.6	77%	0.766	78%	0.78	S	S	*	*			trans	88.1	133.8	131.5	-87.7	-177.8	172.7	178	-4.4	123
273	N	29.9	Very low	29.8	Very low	139 Å²	139	151.5 Å²	151.5	74%	0.743	79%	0.794	S	S	*	*			trans	75.2	148.8	137.7	-81	27.9	0	0	0	117.9
274	D	29	Very low	29.8	Very low	142 Å²	142	146.4 Å²	146.4	76%	0.759	80%	0.797	S	S	*	*			cis	-172.1	167.8	-3.1	-178.2	20.7	0	0	0	106.4
275	G	29.9	Very low	29.8	Very low	58 Å²	58	147.1 Å²	147.1	60%	0.598	81%	0.806	S	S	*	*			trans	158.8	97.2	169.6	0	0	0	0	0	112.6
276	Q	31.5	Very low	29.6	Very low	142 Å²	142	150.4 Å²	150.4	66%	0.664	81%	0.811	S	S	*	*				60.4	136.7	82.4	-68.3	-167.7	0.8	0	0	113.9
277	Y	29.6	Very low	29.5	Very low	194 Å²	194	147.2 Å²	147.2	76%	0.761	80%	0.804	S	S	*	*			cis	-166.1	162.5	-9.2	-90.9	-62.8	0	0	0	105.3
278	S	31.4	Very low	29.8	Very low	121 Å²	121	151.3 Å²	151.3	85%	0.846	81%	0.808	S	S	*	*				-179.4	143.5	118.7	53.2	0	0	0	0	112.6
279	A	28.4	Very low	30	Very low	90 Å²	90	152.9 Å²	152.9	74%	0.744	81%	0.806	S	S	*	*			trans	-94.5	126	-174.3	0	0	0	0	0	110.4
280	V	30.7	Very low	30.9	Very low	145 Å²	145	147.7 Å²	147.7	88%	0.879	79%	0.79	S	S	*	*			trans	-142.6	133.5	157.9	-178.8	0	0	0	0	107.3
281	A	33.2	Very low	32.2	Very low	95 Å²	95	142 Å²	142	79%	0.785	77%	0.77	S	S	*	*			trans	91.4	47.7	175.1	0	0	0	0	0	118	Q283	A281-Q283 PolarHBondContact O-N 2.87Å
282	L	27.2	Very low	34	Very low	162 Å²	162	133.9 Å²	133.9	85%	0.848	74%	0.735	S	S	*	*			trans	-59.2	110.5	134.6	-96.4	109.5	0	0	0	108.4
283	Q	30.2	Very low	35.9	Very low	195 Å²	195	127.4 Å²	127.4	91%	0.911	72%	0.715	S	S	*	*			trans	178.7	84.7	152.6	-101.9	171.8	22.6	0	0	110.8	A281	A281-Q283 PolarHBondContact O-N 2.87Å
284	A	30.5	Very low	37.7	Very low	106 Å²	106	122.2 Å²	122.2	88%	0.876	69%	0.689	S	S	*	*			trans	179.9	63.1	149.9	0	0	0	0	0	109.6
285	S	28.9	Very low	39.4	Very low	115 Å²	115	122.6 Å²	122.6	80%	0.804	68%	0.681	S	S	*	*			trans	-79.3	133.7	163.6	56	0	0	0	0	109.2
286	R	28.7	Very low	40.9	Very low	240 Å²	240	125.7 Å²	125.7	91%	0.906	69%	0.693	S	S	*	*			trans	-171.4	99	135.5	-105.3	171.7	174.1	-172.1	-2.1	111.9
287	N	28.2	Very low	42.4	Very low	134 Å²	134	119.7 Å²	119.7	72%	0.717	67%	0.67	S	S	*	*			trans	38.4	110.8	134.9	-78.6	-11	0	0	0	119.8
288	R	34	Very low	44.4	Very low	241 Å²	241	117 Å²	117	91%	0.909	67%	0.673	S	S	*	*				-143.6	85.1	113.5	-71.8	-162.1	-172.7	-176.1	1.5	109.6	G290	R288-G290 PolarHBondContact O-N 2.9Å
289	N	36.8	Very low	46.5	Very low	156 Å²	156	113.6 Å²	113.6	83%	0.834	64%	0.644	S	S	*	*			trans	-64.8	127	165.8	-86	-12.1	0	0	0	109.4
290	G	46.8	Very low	48.8	Very low	48 Å²	48	112.3 Å²	112.3	50%	0.495	63%	0.627	S	S	.	*	S	Bend	trans	82.8	35	140.3	0	0	0	0	0	118.9	R288 T298	R288-G290 PolarHBondContact O-N 2.9Å; G290-T298 VanDerWaalsContact O-CA 3.28Å; G290-T298 WeakPolarHBondContact O-CA 3.27Å
291	S	54.8	Low	51.3	Low	78 Å²	78	105.8 Å²	105.8	55%	0.545	59%	0.588	S	S	.	*			trans	-122.2	128.4	161.5	63.1	0	0	0	0	112	G297	S291-G297 CarbonylContact C-O 3.57Å; S291-G297 WeakPolarHBondContact CA-O 3.31Å
292	C	66.4	Low	53.6	Low	7 Å²	7	104.5 Å²	104.5	5%	0.047	57%	0.565	C	S	.	*			trans	-64.7	133	172.6	169.4	0	0	0	0	109.5	V294 Y295 G297 H299 C304	C292-V294 VanDerWaalsContact C-N 3.26Å; C292-V294 PolarHBondContact O-N 2.98Å; C292-V294 PolarHBondContact SG-N 3.33Å; C292-V294 VanDerWaalsContact SG-N 3.37Å; C292-Y295 CarbonylContact C-O 3.56Å; C292-Y295 WeakPolarHBondContact CB-O 3.34Å; C292-Y295 CarbonylContact O-C 3.57Å; C292-Y295 PolarHBondContact SG-N 3.33Å; C292-G297 PolarHBondContact N-O 3.25Å; C292-H299 WeakPolarHBondContact CA-O 3.43Å; C292-H299 WeakPolarHBondContact CB-NE2 3.42Å; C292-H299 VanDerWaalsContact CB-O 3.27Å; C292-H299 WeakPolarHBondContact CB-O 3.48Å; C292-H299 PolarHBondContact N-O 3.47Å; C292-H299 PolarHBondContact SG-NE2 2.79Å; C292-C304 VanDerWaalsContact SG-CB 3.59Å; C292-C304 PolarHBondContact SG-SG 3.45Å
293	L	68.1	Low	56.2	Low	67 Å²	67	100.1 Å²	100.1	35%	0.351	55%	0.545	S	S	.	.	S	Bend	trans	-81.5	-7.1	-179.4	-65.6	167.8	0	0	0	113.5	V301 N322 L324 L331	L293-V301 HydrophobicContact CB-CG2 4.41Å; L293-N322 HydrophobicContact CB-CB 4.24Å; L293-N322 HydrophobicContact CD1-CB 3.98Å; L293-L324 HydrophobicContact CD1-CD2 3.57Å; L293-L324 HydrophobicContact CD1-CG 4.49Å; L293-L331 HydrophobicContact CD1-CD1 3.26Å; L293-L331 HydrophobicContact CD1-CD2 3.85Å; L293-L331 HydrophobicContact CD1-CG 3.5Å; L293-L331 VanDerWaalsContact CD1-CG 3.5Å; L293-L331 HydrophobicContact CD2-CD1 4.01Å; L293-L331 HydrophobicContact CG-CD1 3.97Å
294	V	67.9	Low	58.9	Low	31 Å²	31	90.9 Å²	90.9	19%	0.188	50%	0.502	C	S	.	.	S	Bend	trans	-98.9	-28.2	180	-170.7	0	0	0	0	110.5	C292 V301 T306 F307 M310 V318	C292-V294 VanDerWaalsContact C-N 3.26Å; C292-V294 PolarHBondContact O-N 2.98Å; C292-V294 PolarHBondContact SG-N 3.33Å; C292-V294 VanDerWaalsContact SG-N 3.37Å; V294-V301 HydrophobicContact CG2-CG1 3.8Å; V294-V301 HydrophobicContact CG2-CG2 4.32Å; V294-T306 HydrophobicContact CG1-CG2 4.24Å; V294-F307 HydrophobicContact CG1-CB 4.22Å; V294-F307 HydrophobicContact CG2-CB 4.22Å; V294-F307 HydrophobicContact CG2-CD2 3.96Å; V294-F307 HydrophobicContact CG2-CG 4.44Å; V294-M310 HydrophobicContact CG1-CE 3.64Å; V294-M310 HydrophobicContact CG1-SD 4.48Å; V294-V318 HydrophobicContact CG1-CG1 4.48Å; V294-V318 HydrophobicContact CG2-CG1 3.62Å
295	Y	64.9	Low	61.4	Low	149 Å²	149	90.1 Å²	90.1	58%	0.584	49%	0.488	S	S	*	.	S	Bend	trans	-153.1	137.9	179	-176.8	-100	0	0	0	107.9	C292 G297	C292-Y295 CarbonylContact C-O 3.56Å; C292-Y295 WeakPolarHBondContact CB-O 3.34Å; C292-Y295 CarbonylContact O-C 3.57Å; C292-Y295 PolarHBondContact SG-N 3.33Å; Y295-G297 PolarHBondContact O-N 3.46Å
296	S	60.4	Low	64	Low	124 Å²	124	87.3 Å²	87.3	87%	0.867	47%	0.466	S	S	*	.	S	Bend	trans	-67.9	39.1	-174.8	-48.3	0	0	0	0	115.4
297	G	62.6	Low	66.8	Low	16 Å²	16	75.9 Å²	75.9	17%	0.165	42%	0.423	C	S	.	.	S	Bend	trans	-102.8	170.5	178.6	0	0	0	0	0	113.2	S291 C292 Y295 H299	S291-G297 CarbonylContact C-O 3.57Å; S291-G297 WeakPolarHBondContact CA-O 3.31Å; C292-G297 PolarHBondContact N-O 3.25Å; Y295-G297 PolarHBondContact O-N 3.46Å; G297-H299 VanDerWaalsContact C-N 3.28Å; G297-H299 PolarHBondContact O-N 3.07Å
298	T	71.4	Confident	69.6	Low	136 Å²	136	73.3 Å²	73.3	83%	0.834	41%	0.409	S	S	*	.	S	Bend	trans	-85.1	18.8	-170.2	51.3	0	0	0	0	115.8	G290	G290-T298 VanDerWaalsContact O-CA 3.28Å; G290-T298 WeakPolarHBondContact O-CA 3.27Å
299	H	77.4	Confident	72	Confident	51 Å²	51	66.6 Å²	66.6	24%	0.236	40%	0.399	C	S	.	.	S	Bend	trans	-109.3	169.1	-173.4	57.4	-94.1	0	0	0	112.6	C292 G297 C304	C292-H299 WeakPolarHBondContact CA-O 3.43Å; C292-H299 WeakPolarHBondContact CB-NE2 3.42Å; C292-H299 VanDerWaalsContact CB-O 3.27Å; C292-H299 WeakPolarHBondContact CB-O 3.48Å; C292-H299 PolarHBondContact N-O 3.47Å; C292-H299 PolarHBondContact SG-NE2 2.79Å; G297-H299 VanDerWaalsContact C-N 3.28Å; G297-H299 PolarHBondContact O-N 3.07Å; H299-C304 WeakPolarHBondContact CD2-CA 3.22Å; H299-C304 VanDerWaalsContact NE2-CA 3.33Å; H299-C304 WeakPolarHBondContact NE2-CA 3.43Å; H299-C304 VanDerWaalsContact NE2-CB 3.25Å; H299-C304 WeakPolarHBondContact NE2-CB 3.36Å; H299-C304 PolarHBondContact NE2-SG 3.01Å
300	T	76.3	Confident	74.4	Confident	62 Å²	62	61 Å²	61	38%	0.38	37%	0.368	S	S	.	.			trans	-82.9	155.7	175.1	55.3	0	0	0	0	111.3	H302 T303 C304	T300-H302 VanDerWaalsContact C-N 3.26Å; T300-H302 VanDerWaalsContact CB-CE1 3.46Å; T300-H302 WeakPolarHBondContact CB-CE1 3.47Å; T300-H302 PolarHBondContact O-N 2.73Å; T300-H302 PolarHBondContact OG1-CE1 2.86Å; T300-H302 PolarHBondContact OG1-ND1 2.92Å; T300-H302 PolarHBondContact OG1-NE2 3.32Å; T300-H302 VanDerWaalsContact OG1-NE2 3.08Å; T300-T303 PolarHBondContact N-OG1 2.78Å; T300-T303 PolarHBondContact O-N 2.78Å; T300-T303 PolarHBondContact O-OG1 3.08Å; T300-T303 PolarHBondContact OG1-OG1 2.95Å; T300-C304 PolarHBondContact O-N 3.34Å
301	V	83.6	Confident	76.1	Confident	9 Å²	9	62.3 Å²	62.3	6%	0.055	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-59.8	-35.9	-176.4	177.2	0	0	0	0	112.9	L293 V294 T303 C304 F307 L324	L293-V301 HydrophobicContact CB-CG2 4.41Å; V294-V301 HydrophobicContact CG2-CG1 3.8Å; V294-V301 HydrophobicContact CG2-CG2 4.32Å; V301-T303 PolarHBondContact O-N 3.01Å; V301-C304 WeakPolarHBondContact O-CB 3.49Å; V301-C304 PolarHBondContact O-N 3.38Å; V301-F307 HydrophobicContact CG1-CB 4.36Å; V301-F307 HydrophobicContact CG1-CD1 4.02Å; V301-F307 HydrophobicContact CG1-CD2 3.81Å; V301-F307 HydrophobicContact CG1-CE1 4.23Å; V301-F307 HydrophobicContact CG1-CE2 4.01Å; V301-F307 HydrophobicContact CG1-CG 3.8Å; V301-F307 HydrophobicContact CG1-CZ 4.21Å; V301-L324 HydrophobicContact CB-CD1 3.95Å; V301-L324 HydrophobicContact CG1-CD1 3.58Å; V301-L324 HydrophobicContact CG2-CD1 3.82Å; V301-L324 HydrophobicContact CG2-CD2 4.19Å
302	H	80.3	Confident	77.4	Confident	68 Å²	68	60.9 Å²	60.9	32%	0.315	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-69.7	-13.2	177.9	64.8	-100.4	0	0	0	114.1	T300 L329 L356	T300-H302 VanDerWaalsContact C-N 3.26Å; T300-H302 VanDerWaalsContact CB-CE1 3.46Å; T300-H302 WeakPolarHBondContact CB-CE1 3.47Å; T300-H302 PolarHBondContact O-N 2.73Å; T300-H302 PolarHBondContact OG1-CE1 2.86Å; T300-H302 PolarHBondContact OG1-ND1 2.92Å; T300-H302 PolarHBondContact OG1-NE2 3.32Å; T300-H302 VanDerWaalsContact OG1-NE2 3.08Å; H302-L329 HydrophobicContact CB-CB 4.5Å; H302-L329 HydrophobicContact CB-CD1 3.92Å; H302-L356 HydrophobicContact CB-CD1 4.16Å
303	T	83	Confident	77.9	Confident	70 Å²	70	65 Å²	65	43%	0.429	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-106.4	3.3	173.6	53.8	0	0	0	0	113.2	T300 V301 P305	T300-T303 PolarHBondContact N-OG1 2.78Å; T300-T303 PolarHBondContact O-N 2.78Å; T300-T303 PolarHBondContact O-OG1 3.08Å; T300-T303 PolarHBondContact OG1-OG1 2.95Å; V301-T303 PolarHBondContact O-N 3.01Å; T303-P305 WeakPolarHBondContact O-CD 3.48Å
304	C	85	Confident	78.6	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	39%	0.387	C	S	.	.			trans	-74.2	121.8	-176.8	179.6	0	0	0	0	112.6	C292 H299 T300 V301 T306 F307 L308	C292-C304 VanDerWaalsContact SG-CB 3.59Å; C292-C304 PolarHBondContact SG-SG 3.45Å; H299-C304 WeakPolarHBondContact CD2-CA 3.22Å; H299-C304 VanDerWaalsContact NE2-CA 3.33Å; H299-C304 WeakPolarHBondContact NE2-CA 3.43Å; H299-C304 VanDerWaalsContact NE2-CB 3.25Å; H299-C304 WeakPolarHBondContact NE2-CB 3.36Å; H299-C304 PolarHBondContact NE2-SG 3.01Å; T300-C304 PolarHBondContact O-N 3.34Å; V301-C304 WeakPolarHBondContact O-CB 3.49Å; V301-C304 PolarHBondContact O-N 3.38Å; C304-T306 VanDerWaalsContact C-N 3.27Å; C304-T306 PolarHBondContact O-N 2.66Å; C304-F307 HydrophobicContact CB-CB 3.74Å; C304-F307 PolarHBondContact O-N 2.75Å; C304-F307 VanDerWaalsContact O-N 3.07Å; C304-L308 WeakPolarHBondContact O-CG 3.17Å; C304-L308 PolarHBondContact O-N 3.42Å
305	P	83.4	Confident	79.6	Confident	91 Å²	91	68.5 Å²	68.5	59%	0.591	39%	0.386	S	S	*	.	H	α-helix	trans	-58	-38.7	177.6	-24.3	33.8	0	0	0	113.2	T303 L308 S309	T303-P305 WeakPolarHBondContact O-CD 3.48Å; P305-L308 PolarHBondContact O-N 2.81Å; P305-S309 PolarHBondContact O-N 2.82Å; P305-S309 VanDerWaalsContact O-N 3.09Å; P305-S309 PolarHBondContact O-OG 2.68Å
306	T	83.2	Confident	80.5	Confident	55 Å²	55	63.3 Å²	63.3	34%	0.337	37%	0.368	S	S	.	.	H	α-helix	trans	-67.2	-36.9	177.2	-40.6	0	0	0	0	111.6	V294 C304 S309 M310	V294-T306 HydrophobicContact CG1-CG2 4.24Å; C304-T306 VanDerWaalsContact C-N 3.27Å; C304-T306 PolarHBondContact O-N 2.66Å; T306-S309 WeakPolarHBondContact CA-OG 3.36Å; T306-S309 PolarHBondContact O-OG 2.82Å; T306-S309 VanDerWaalsContact O-OG 3.04Å; T306-M310 HydrophobicContact CG2-CE 4.02Å; T306-M310 VanDerWaalsContact O-CG 3.28Å; T306-M310 WeakPolarHBondContact O-CG 3.43Å
307	F	88.6	Confident	81.4	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-72.7	-37.4	176.1	-171.7	-103.3	0	0	0	112	V294 V301 C304 S309 M310 R315 V318 L329 L356 L357	V294-F307 HydrophobicContact CG1-CB 4.22Å; V294-F307 HydrophobicContact CG2-CB 4.22Å; V294-F307 HydrophobicContact CG2-CD2 3.96Å; V294-F307 HydrophobicContact CG2-CG 4.44Å; V301-F307 HydrophobicContact CG1-CB 4.36Å; V301-F307 HydrophobicContact CG1-CD1 4.02Å; V301-F307 HydrophobicContact CG1-CD2 3.81Å; V301-F307 HydrophobicContact CG1-CE1 4.23Å; V301-F307 HydrophobicContact CG1-CE2 4.01Å; V301-F307 HydrophobicContact CG1-CG 3.8Å; V301-F307 HydrophobicContact CG1-CZ 4.21Å; C304-F307 HydrophobicContact CB-CB 3.74Å; C304-F307 PolarHBondContact O-N 2.75Å; C304-F307 VanDerWaalsContact O-N 3.07Å; F307-S309 VanDerWaalsContact C-N 3.33Å; F307-S309 PolarHBondContact O-N 2.86Å; F307-M310 HydrophobicContact CD2-SD 4.38Å; F307-M310 WeakPolarHBondContact O-CB 3.48Å; F307-M310 PolarHBondContact O-N 3.01Å; F307-R315 HydrophobicContact CD1-CG 4.36Å; F307-R315 HydrophobicContact CD2-CG 4.24Å; F307-R315 HydrophobicContact CE1-CB 4.31Å; F307-R315 HydrophobicContact CE1-CG 4.06Å; F307-R315 HydrophobicContact CE2-CB 3.88Å; F307-R315 HydrophobicContact CE2-CG 3.96Å; F307-R315 HydrophobicContact CG-CG 4.46Å; F307-R315 HydrophobicContact CZ-CB 3.7Å; F307-R315 HydrophobicContact CZ-CG 3.86Å; F307-R315 VanDerWaalsContact O-CD 3.32Å; F307-R315 WeakPolarHBondContact O-CD 3.35Å; F307-R315 WeakPolarHBondContact O-CG 3.45Å; F307-V318 HydrophobicContact CD2-CB 4.39Å; F307-V318 HydrophobicContact CD2-CG1 3.93Å; F307-V318 HydrophobicContact CE2-CB 4.15Å; F307-V318 HydrophobicContact CE2-CG1 3.94Å; F307-L329 HydrophobicContact CE1-CD1 3.78Å; F307-L329 HydrophobicContact CZ-CD1 4.23Å; F307-L329 HydrophobicContact CZ-CD2 4.23Å; F307-L356 HydrophobicContact CD1-CD1 4.32Å; F307-L356 HydrophobicContact CE1-CB 4.34Å; F307-L356 HydrophobicContact CE1-CD1 4.15Å; F307-L357 HydrophobicContact CZ-CD2 4.14Å
308	L	86.4	Confident	82.4	Confident	81 Å²	81	61.7 Å²	61.7	42%	0.424	34%	0.343	S	S	.	.	H	α-helix	trans	-69.3	-29.3	179.6	-69.2	172.1	0	0	0	113	C304 P305 L356	C304-L308 WeakPolarHBondContact O-CG 3.17Å; C304-L308 PolarHBondContact O-N 3.42Å; P305-L308 PolarHBondContact O-N 2.81Å; L308-L356 HydrophobicContact CD2-CD1 3.72Å; L308-L356 HydrophobicContact CD2-CD2 3.64Å; L308-L356 HydrophobicContact CD2-CG 4.35Å
309	S	84	Confident	83.1	Confident	99 Å²	99	55.2 Å²	55.2	69%	0.692	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.2	176.8	50.8	0	0	0	0	114.3	P305 T306 F307	P305-S309 PolarHBondContact O-N 2.82Å; P305-S309 VanDerWaalsContact O-N 3.09Å; P305-S309 PolarHBondContact O-OG 2.68Å; T306-S309 WeakPolarHBondContact CA-OG 3.36Å; T306-S309 PolarHBondContact O-OG 2.82Å; T306-S309 VanDerWaalsContact O-OG 3.04Å; F307-S309 VanDerWaalsContact C-N 3.33Å; F307-S309 PolarHBondContact O-N 2.86Å
310	M	88.2	Confident	83.2	Confident	40 Å²	40	60.9 Å²	60.9	20%	0.197	32%	0.323	C	S	.	.	S	Bend	trans	-75.4	145.8	177.4	-77.2	172.6	-170.2	0	0	112.2	V294 T306 F307 R314 R315 V318	V294-M310 HydrophobicContact CG1-CE 3.64Å; V294-M310 HydrophobicContact CG1-SD 4.48Å; T306-M310 HydrophobicContact CG2-CE 4.02Å; T306-M310 VanDerWaalsContact O-CG 3.28Å; T306-M310 WeakPolarHBondContact O-CG 3.43Å; F307-M310 HydrophobicContact CD2-SD 4.38Å; F307-M310 WeakPolarHBondContact O-CB 3.48Å; F307-M310 PolarHBondContact O-N 3.01Å; M310-R314 HydrophobicContact CB-CB 3.96Å; M310-R314 HydrophobicContact CB-CG 3.98Å; M310-R314 HydrophobicContact CG-CB 4.23Å; M310-R314 HydrophobicContact CG-CG 3.67Å; M310-R314 HydrophobicContact SD-CG 3.71Å; M310-R315 HydrophobicContact CB-CG 3.76Å; M310-V318 HydrophobicContact CE-CG2 4.15Å; M310-V318 HydrophobicContact SD-CB 4.46Å; M310-V318 HydrophobicContact SD-CG2 3.73Å
311	S	82.6	Confident	83.4	Confident	74 Å²	74	66.2 Å²	66.2	52%	0.517	34%	0.341	S	S	.	.			trans	-57.8	157.4	167.3	69.3	0	0	0	0	111.1	T313 R314 R315	S311-T313 VanDerWaalsContact C-N 3.28Å; S311-T313 PolarHBondContact O-N 3.17Å; S311-R314 PolarHBondContact O-N 2.92Å; S311-R314 WeakPolarHBondContact OG-CB 3.24Å; S311-R314 PolarHBondContact OG-N 2.88Å; S311-R315 PolarHBondContact O-N 3.2Å
312	L	82.5	Confident	83.1	Confident	48 Å²	48	67.8 Å²	67.8	25%	0.251	35%	0.349	S	S	.	.	H	α-helix	trans	-51.2	-48.4	175.9	173.4	65.8	0	0	0	112.2	R314 R315 L316 L357	L312-R314 PolarHBondContact O-N 3.35Å; L312-R315 PolarHBondContact O-N 2.93Å; L312-R315 VanDerWaalsContact O-N 3.16Å; L312-L316 HydrophobicContact CD1-CD1 4.23Å; L312-L316 HydrophobicContact CD1-CG 4.35Å; L312-L316 HydrophobicContact CG-CD1 4.13Å; L312-L316 PolarHBondContact O-N 3.29Å; L312-L357 VanDerWaalsContact CD1-C 3.44Å; L312-L357 WeakPolarHBondContact CD1-O 3.32Å
313	T	75.5	Confident	83	Confident	94 Å²	94	73.4 Å²	73.4	58%	0.577	37%	0.367	S	S	*	.	H	α-helix	trans	-55	-43.5	177.4	-48.6	0	0	0	0	111	S311 L316 Q317	S311-T313 VanDerWaalsContact C-N 3.28Å; S311-T313 PolarHBondContact O-N 3.17Å; T313-L316 PolarHBondContact O-N 3.37Å; T313-Q317 WeakPolarHBondContact O-CG 3.35Å; T313-Q317 PolarHBondContact O-N 3.42Å
314	R	82.8	Confident	83	Confident	126 Å²	126	70.3 Å²	70.3	48%	0.475	35%	0.348	S	S	.	.	H	α-helix	trans	-72.4	-36	-179.8	-171.3	60.4	173	-176.8	-4.1	112.5	M310 S311 L312 Q317 V318	M310-R314 HydrophobicContact CB-CB 3.96Å; M310-R314 HydrophobicContact CB-CG 3.98Å; M310-R314 HydrophobicContact CG-CB 4.23Å; M310-R314 HydrophobicContact CG-CG 3.67Å; M310-R314 HydrophobicContact SD-CG 3.71Å; S311-R314 PolarHBondContact O-N 2.92Å; S311-R314 WeakPolarHBondContact OG-CB 3.24Å; S311-R314 PolarHBondContact OG-N 2.88Å; L312-R314 PolarHBondContact O-N 3.35Å; R314-Q317 PolarHBondContact O-N 3.29Å; R314-V318 WeakPolarHBondContact O-CB 3.48Å; R314-V318 WeakPolarHBondContact O-CG2 3.27Å; R314-V318 PolarHBondContact O-N 3.39Å
315	R	89.8	Confident	83	Confident	45 Å²	45	70.4 Å²	70.4	17%	0.17	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-45.7	172.6	-71	-173.2	-71.7	-163.5	5	111.8	F307 M310 S311 L312 Q317 V318 S319 L356 L357	F307-R315 HydrophobicContact CD1-CG 4.36Å; F307-R315 HydrophobicContact CD2-CG 4.24Å; F307-R315 HydrophobicContact CE1-CB 4.31Å; F307-R315 HydrophobicContact CE1-CG 4.06Å; F307-R315 HydrophobicContact CE2-CB 3.88Å; F307-R315 HydrophobicContact CE2-CG 3.96Å; F307-R315 HydrophobicContact CG-CG 4.46Å; F307-R315 HydrophobicContact CZ-CB 3.7Å; F307-R315 HydrophobicContact CZ-CG 3.86Å; F307-R315 VanDerWaalsContact O-CD 3.32Å; F307-R315 WeakPolarHBondContact O-CD 3.35Å; F307-R315 WeakPolarHBondContact O-CG 3.45Å; M310-R315 HydrophobicContact CB-CG 3.76Å; S311-R315 PolarHBondContact O-N 3.2Å; L312-R315 PolarHBondContact O-N 2.93Å; L312-R315 VanDerWaalsContact O-N 3.16Å; R315-Q317 PolarHBondContact O-N 3.41Å; R315-V318 PolarHBondContact O-N 3.37Å; R315-S319 WeakPolarHBondContact O-CB 3.29Å; R315-S319 PolarHBondContact O-N 3.12Å; R315-S319 PolarHBondContact O-OG 3.05Å; R315-L356 PolarHBondContact NE-O 3.49Å; R315-L356 PolarHBondContact NH2-O 3.45Å; R315-L357 HydrophobicContact CB-CD2 3.77Å
316	L	83.8	Confident	83.2	Confident	41 Å²	41	69.3 Å²	69.3	22%	0.215	34%	0.335	C	S	.	.	H	α-helix	trans	-60.2	-44.3	175	-74.6	167.7	0	0	0	111.9	L312 T313 S319 R320 F326 L357	L312-L316 HydrophobicContact CD1-CD1 4.23Å; L312-L316 HydrophobicContact CD1-CG 4.35Å; L312-L316 HydrophobicContact CG-CD1 4.13Å; L312-L316 PolarHBondContact O-N 3.29Å; T313-L316 PolarHBondContact O-N 3.37Å; L316-S319 PolarHBondContact O-N 2.95Å; L316-R320 WeakPolarHBondContact O-CG 3.38Å; L316-R320 PolarHBondContact O-N 3.29Å; L316-F326 HydrophobicContact CD2-CD1 4.48Å; L316-F326 HydrophobicContact CD2-CE1 4.12Å; L316-L357 HydrophobicContact CD2-CB 4.15Å; L316-L357 HydrophobicContact CD2-CD1 4.33Å; L316-L357 HydrophobicContact CD2-CD2 4.18Å; L316-L357 HydrophobicContact CD2-CG 4.47Å; L316-L357 HydrophobicContact CG-CD2 4.39Å
317	Q	79.8	Confident	83.4	Confident	93 Å²	93	67.1 Å²	67.1	44%	0.435	32%	0.321	S	S	.	.	H	α-helix	trans	-60.2	-45.8	174.9	-78.4	179.3	-14.2	0	0	112.2	T313 R314 R315 R320 K321	T313-Q317 WeakPolarHBondContact O-CG 3.35Å; T313-Q317 PolarHBondContact O-N 3.42Å; R314-Q317 PolarHBondContact O-N 3.29Å; R315-Q317 PolarHBondContact O-N 3.41Å; Q317-R320 PolarHBondContact O-N 2.68Å; Q317-K321 VanDerWaalsContact O-CB 3.23Å; Q317-K321 WeakPolarHBondContact O-CB 3.36Å; Q317-K321 PolarHBondContact O-N 3.12Å
318	V	83.5	Confident	83.3	Confident	13 Å²	13	68.1 Å²	68.1	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-66.3	-40	179.3	169	0	0	0	0	111.5	V294 F307 M310 R314 R315 N322	V294-V318 HydrophobicContact CG1-CG1 4.48Å; V294-V318 HydrophobicContact CG2-CG1 3.62Å; F307-V318 HydrophobicContact CD2-CB 4.39Å; F307-V318 HydrophobicContact CD2-CG1 3.93Å; F307-V318 HydrophobicContact CE2-CB 4.15Å; F307-V318 HydrophobicContact CE2-CG1 3.94Å; M310-V318 HydrophobicContact CE-CG2 4.15Å; M310-V318 HydrophobicContact SD-CB 4.46Å; M310-V318 HydrophobicContact SD-CG2 3.73Å; R314-V318 WeakPolarHBondContact O-CB 3.48Å; R314-V318 WeakPolarHBondContact O-CG2 3.27Å; R314-V318 PolarHBondContact O-N 3.39Å; R315-V318 PolarHBondContact O-N 3.37Å; V318-N322 VanDerWaalsContact O-CB 3.32Å; V318-N322 WeakPolarHBondContact O-CB 3.37Å; V318-N322 PolarHBondContact O-N 3.27Å; V318-N322 PolarHBondContact O-ND2 2.87Å
319	S	86.1	Confident	83.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-43	173.9	-66	0	0	0	0	112.4	R315 L316 R323 L324 L329	R315-S319 WeakPolarHBondContact O-CB 3.29Å; R315-S319 PolarHBondContact O-N 3.12Å; R315-S319 PolarHBondContact O-OG 3.05Å; L316-S319 PolarHBondContact O-N 2.95Å; S319-R323 PolarHBondContact O-N 2.89Å; S319-R323 VanDerWaalsContact O-N 3.15Å; S319-L324 PolarHBondContact O-N 3.36Å; S319-L329 WeakPolarHBondContact OG-CD2 3.48Å
320	R	79.6	Confident	83.2	Confident	170 Å²	170	64.7 Å²	64.7	64%	0.642	30%	0.299	S	S	*	.	H	α-helix	trans	-63.4	-53.4	174.2	-74.9	177.6	-179	154.5	0.9	111.7	L316 Q317 N322 R323 F326	L316-R320 WeakPolarHBondContact O-CG 3.38Å; L316-R320 PolarHBondContact O-N 3.29Å; Q317-R320 PolarHBondContact O-N 2.68Å; R320-N322 VanDerWaalsContact C-N 3.3Å; R320-N322 PolarHBondContact O-N 2.87Å; R320-R323 PolarHBondContact O-N 3.25Å; R320-R323 VanDerWaalsContact O-N 3.17Å; R320-F326 HydrophobicContact CG-CE1 4.38Å; R320-F326 HydrophobicContact CG-CZ 3.64Å
321	K	79	Confident	82.8	Confident	174 Å²	174	67.6 Å²	67.6	76%	0.757	32%	0.315	S	S	*	.	H	α-helix	trans	-57.8	-42	-177.2	-175.9	179.2	179.2	-180	0	111.9	Q317	Q317-K321 VanDerWaalsContact O-CB 3.23Å; Q317-K321 WeakPolarHBondContact O-CB 3.36Å; Q317-K321 PolarHBondContact O-N 3.12Å
322	N	77.6	Confident	82	Confident	42 Å²	42	67.9 Å²	67.9	23%	0.225	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	10.7	-177.4	-66.7	-42.6	0	0	0	114	L293 V318 R320 L324 L331	L293-N322 HydrophobicContact CB-CB 4.24Å; L293-N322 HydrophobicContact CD1-CB 3.98Å; V318-N322 VanDerWaalsContact O-CB 3.32Å; V318-N322 WeakPolarHBondContact O-CB 3.37Å; V318-N322 PolarHBondContact O-N 3.27Å; V318-N322 PolarHBondContact O-ND2 2.87Å; R320-N322 VanDerWaalsContact C-N 3.3Å; R320-N322 PolarHBondContact O-N 2.87Å; N322-L324 HydrophobicContact CB-CG 4.19Å; N322-L324 PolarHBondContact O-N 3.03Å; N322-L331 WeakPolarHBondContact O-CD2 3.41Å
323	R	77.8	Confident	81.9	Confident	186 Å²	186	67.9 Å²	67.9	70%	0.702	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	42.1	178.2	-59.4	-176.9	177.1	-172.4	-1.5	113.7	S319 R320	S319-R323 PolarHBondContact O-N 2.89Å; S319-R323 VanDerWaalsContact O-N 3.15Å; R320-R323 PolarHBondContact O-N 3.25Å; R320-R323 VanDerWaalsContact O-N 3.17Å
324	L	84	Confident	81.7	Confident	5 Å²	5	69.2 Å²	69.2	3%	0.026	33%	0.331	C	S	.	.			trans	-77.6	140.4	175	-61.2	179.3	0	0	0	109.9	L293 V301 S319 N322 F326 L329 L331	L293-L324 HydrophobicContact CD1-CD2 3.57Å; L293-L324 HydrophobicContact CD1-CG 4.49Å; V301-L324 HydrophobicContact CB-CD1 3.95Å; V301-L324 HydrophobicContact CG1-CD1 3.58Å; V301-L324 HydrophobicContact CG2-CD1 3.82Å; V301-L324 HydrophobicContact CG2-CD2 4.19Å; S319-L324 PolarHBondContact O-N 3.36Å; N322-L324 HydrophobicContact CB-CG 4.19Å; N322-L324 PolarHBondContact O-N 3.03Å; L324-F326 PolarHBondContact O-N 3.4Å; L324-L329 WeakPolarHBondContact CD2-O 3.45Å; L324-L331 HydrophobicContact CD2-CD2 4.5Å; L324-L331 HydrophobicContact CD2-CG 4.07Å
325	C	84.8	Confident	81.2	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.014	33%	0.325	C	S	.	.			trans	-59	125.5	169.4	177.6	0	0	0	0	109.6	V327 C328 L329 E330 H333	C325-V327 PolarHBondContact O-N 3.47Å; C325-V327 VanDerWaalsContact O-N 3.14Å; C325-V327 PolarHBondContact SG-N 2.95Å; C325-C328 VanDerWaalsContact CB-SG 3.6Å; C325-L329 WeakPolarHBondContact O-CA 3.49Å; C325-L329 PolarHBondContact O-N 3.19Å; C325-E330 WeakPolarHBondContact CB-O 3.43Å; C325-E330 PolarHBondContact N-O 2.86Å; C325-H333 WeakPolarHBondContact CB-NE2 3.2Å; C325-H333 WeakPolarHBondContact CB-O 3.45Å; C325-H333 VanDerWaalsContact SG-CD2 3.52Å; C325-H333 PolarHBondContact SG-NE2 3.37Å; C325-H333 VanDerWaalsContact SG-NE2 3.36Å
326	F	87.2	Confident	80.1	Confident	68 Å²	68	68.4 Å²	68.4	30%	0.298	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.2	-180	-74.4	-88.7	0	0	0	113.3	L316 R320 L324 H353 H354 L357	L316-F326 HydrophobicContact CD2-CD1 4.48Å; L316-F326 HydrophobicContact CD2-CE1 4.12Å; R320-F326 HydrophobicContact CG-CE1 4.38Å; R320-F326 HydrophobicContact CG-CZ 3.64Å; L324-F326 PolarHBondContact O-N 3.4Å; F326-H353 CarbonylContact O-C 3.48Å; F326-H353 VanDerWaalsContact O-CA 3.27Å; F326-H353 WeakPolarHBondContact O-CA 3.47Å; F326-H354 WeakPolarHBondContact O-CB 3.36Å; F326-H354 PolarHBondContact O-N 2.97Å; F326-L357 HydrophobicContact CB-CD1 4.5Å; F326-L357 HydrophobicContact CD1-CD1 3.59Å; F326-L357 HydrophobicContact CE1-CD1 4.25Å; F326-L357 HydrophobicContact CG-CD1 4.45Å
327	V	86.9	Confident	79.5	Confident	9 Å²	9	69.6 Å²	69.6	6%	0.055	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-48.9	-179.2	-179.2	0	0	0	0	111.7	C325 A335 C338 H354	C325-V327 PolarHBondContact O-N 3.47Å; C325-V327 VanDerWaalsContact O-N 3.14Å; C325-V327 PolarHBondContact SG-N 2.95Å; V327-A335 HydrophobicContact CG2-CB 3.74Å; V327-C338 HydrophobicContact CB-CB 4.29Å; V327-H354 WeakPolarHBondContact O-CB 3.28Å; V327-H354 PolarHBondContact O-CD2 3.17Å
328	C	87	Confident	79.5	Confident	21 Å²	21	66.4 Å²	66.4	14%	0.142	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-5.3	-175.2	68.3	0	0	0	0	115.5	C325 E330 H333	C325-C328 VanDerWaalsContact CB-SG 3.6Å; C328-E330 HydrophobicContact CB-CG 4.41Å; C328-E330 PolarHBondContact O-N 3.12Å; C328-E330 VanDerWaalsContact SG-CB 3.6Å; C328-E330 PolarHBondContact SG-N 3.46Å; C328-H333 PolarHBondContact SG-CE1 3.24Å; C328-H333 PolarHBondContact SG-NE2 3.02Å
329	L	87.1	Confident	79.1	Confident	3 Å²	3	75.7 Å²	75.7	2%	0.016	40%	0.397	C	S	.	.			trans	59.8	23.3	-174.5	-61.8	174.2	0	0	0	115	H302 F307 S319 L324 C325 H354 L356 L357	H302-L329 HydrophobicContact CB-CB 4.5Å; H302-L329 HydrophobicContact CB-CD1 3.92Å; F307-L329 HydrophobicContact CE1-CD1 3.78Å; F307-L329 HydrophobicContact CZ-CD1 4.23Å; F307-L329 HydrophobicContact CZ-CD2 4.23Å; S319-L329 WeakPolarHBondContact OG-CD2 3.48Å; L324-L329 WeakPolarHBondContact CD2-O 3.45Å; C325-L329 WeakPolarHBondContact O-CA 3.49Å; C325-L329 PolarHBondContact O-N 3.19Å; L329-H354 HydrophobicContact CD1-CB 4.15Å; L329-H354 WeakPolarHBondContact CD1-ND1 3.42Å; L329-H354 HydrophobicContact CG-CB 3.93Å; L329-L356 HydrophobicContact CD1-CB 4.44Å; L329-L356 HydrophobicContact CD1-CD1 4.09Å; L329-L357 HydrophobicContact CD2-CD1 3.83Å; L329-L357 HydrophobicContact CD2-CG 4.21Å
330	E	82.1	Confident	78.2	Confident	104 Å²	104	77.4 Å²	77.4	49%	0.486	41%	0.409	S	S	.	.			trans	-100.2	159.4	174.4	-59.6	-175.7	157.6	0	0	112.5	C325 C328	C325-E330 WeakPolarHBondContact CB-O 3.43Å; C325-E330 PolarHBondContact N-O 2.86Å; C328-E330 HydrophobicContact CB-CG 4.41Å; C328-E330 PolarHBondContact O-N 3.12Å; C328-E330 VanDerWaalsContact SG-CB 3.6Å; C328-E330 PolarHBondContact SG-N 3.46Å
331	L	78.1	Confident	77.3	Confident	101 Å²	101	78.2 Å²	78.2	53%	0.529	42%	0.42	S	S	.	.	S	Bend	trans	-80.3	157.2	174.2	-84.8	162.9	0	0	0	112.1	L293 N322 L324	L293-L331 HydrophobicContact CD1-CD1 3.26Å; L293-L331 HydrophobicContact CD1-CD2 3.85Å; L293-L331 HydrophobicContact CD1-CG 3.5Å; L293-L331 VanDerWaalsContact CD1-CG 3.5Å; L293-L331 HydrophobicContact CD2-CD1 4.01Å; L293-L331 HydrophobicContact CG-CD1 3.97Å; N322-L331 WeakPolarHBondContact O-CD2 3.41Å; L324-L331 HydrophobicContact CD2-CD2 4.5Å; L324-L331 HydrophobicContact CD2-CG 4.07Å
332	G	67.9	Low	76.5	Confident	80 Å²	80	75.3 Å²	75.3	83%	0.825	41%	0.413	S	S	*	.	S	Bend	trans	98.3	-0.6	163.7	0	0	0	0	0	115.7
333	H	79.5	Confident	76	Confident	49 Å²	49	81.4 Å²	81.4	23%	0.227	43%	0.433	C	S	.	.			trans	-153.4	155.9	174.7	62.3	-83.2	0	0	0	112.5	C325 C328 A337 C338	C325-H333 WeakPolarHBondContact CB-NE2 3.2Å; C325-H333 WeakPolarHBondContact CB-O 3.45Å; C325-H333 VanDerWaalsContact SG-CD2 3.52Å; C325-H333 PolarHBondContact SG-NE2 3.37Å; C325-H333 VanDerWaalsContact SG-NE2 3.36Å; C328-H333 PolarHBondContact SG-CE1 3.24Å; C328-H333 PolarHBondContact SG-NE2 3.02Å; H333-A337 HydrophobicContact CB-CB 4.4Å; H333-C338 VanDerWaalsContact CD2-CA 3.47Å; H333-C338 WeakPolarHBondContact CD2-CA 3.29Å; H333-C338 PolarHBondContact NE2-SG 3.38Å
334	L	70.9	Confident	76.1	Confident	121 Å²	121	73 Å²	73	63%	0.634	40%	0.402	S	S	*	.			trans	-89	163.6	172.3	-66.9	169.4	0	0	0	110.3	S336 A337 C338	L334-S336 PolarHBondContact O-N 3.27Å; L334-S336 VanDerWaalsContact O-N 3.12Å; L334-A337 CarbonylContact O-C 3.5Å; L334-A337 PolarHBondContact O-N 3.01Å; L334-C338 PolarHBondContact O-N 3.49Å; L334-C338 VanDerWaalsContact O-N 3.12Å
335	A	72.3	Confident	75.6	Confident	42 Å²	42	77.2 Å²	77.2	35%	0.347	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-53.3	-34.3	176.4	0	0	0	0	0	112.9	V327 A337 C338	V327-A335 HydrophobicContact CG2-CB 3.74Å; A335-A337 VanDerWaalsContact C-N 3.26Å; A335-A337 PolarHBondContact O-N 3.04Å; A335-C338 WeakPolarHBondContact O-CB 3.39Å; A335-C338 PolarHBondContact O-N 3.37Å
336	S	67.4	Low	75.2	Confident	113 Å²	113	80.4 Å²	80.4	79%	0.79	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-69	-18.6	176.7	52.4	0	0	0	0	114.7	L334	L334-S336 PolarHBondContact O-N 3.27Å; L334-S336 VanDerWaalsContact O-N 3.12Å
337	A	71.5	Confident	74.3	Confident	66 Å²	66	85.8 Å²	85.8	55%	0.545	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-115	10.4	178.9	0	0	0	0	0	112.3	H333 L334 A335	H333-A337 HydrophobicContact CB-CB 4.4Å; L334-A337 CarbonylContact O-C 3.5Å; L334-A337 PolarHBondContact O-N 3.01Å; A335-A337 VanDerWaalsContact C-N 3.26Å; A335-A337 PolarHBondContact O-N 3.04Å
338	C	79.4	Confident	73.2	Confident	25 Å²	25	91.3 Å²	91.3	17%	0.169	50%	0.501	C	S	.	.			trans	-74.6	127.7	-179.9	-167.3	0	0	0	0	110.4	V327 H333 L334 A335 S340	V327-C338 HydrophobicContact CB-CB 4.29Å; H333-C338 VanDerWaalsContact CD2-CA 3.47Å; H333-C338 WeakPolarHBondContact CD2-CA 3.29Å; H333-C338 PolarHBondContact NE2-SG 3.38Å; L334-C338 PolarHBondContact O-N 3.49Å; L334-C338 VanDerWaalsContact O-N 3.12Å; A335-C338 WeakPolarHBondContact O-CB 3.39Å; A335-C338 PolarHBondContact O-N 3.37Å; C338-S340 VanDerWaalsContact C-N 3.28Å
339	K	74	Confident	72.3	Confident	208 Å²	208	90.7 Å²	90.7	90%	0.904	50%	0.497	S	S	*	.	S	Bend	trans	-76.1	-16.1	175.3	-66.5	-174.5	179.6	-178.8	0	113	Q341	K339-Q341 PolarHBondContact O-N 3.05Å
340	S	68.4	Low	71.4	Confident	37 Å²	37	97.7 Å²	97.7	26%	0.259	53%	0.529	S	S	.	.			trans	-75.8	119.7	172	162.6	0	0	0	0	108.6	C338 D342	C338-S340 VanDerWaalsContact C-N 3.28Å; S340-D342 PolarHBondContact O-N 3.45Å; S340-D342 WeakPolarHBondContact OG-CB 3.26Å; S340-D342 VanDerWaalsContact OG-CG 3.29Å; S340-D342 PolarHBondContact OG-N 3Å; S340-D342 PolarHBondContact OG-OD2 3.45Å
341	Q	61.2	Low	70.9	Confident	186 Å²	186	96.4 Å²	96.4	87%	0.869	52%	0.522	S	S	*	.			trans	-83.7	13.1	173	-70.6	-160.4	-17.9	0	0	112.5	K339 R343	K339-Q341 PolarHBondContact O-N 3.05Å; Q341-R343 PolarHBondContact O-N 2.81Å
342	D	61.1	Low	70.9	Confident	114 Å²	114	95.4 Å²	95.4	61%	0.61	52%	0.524	S	S	*	.			trans	-75.8	95.6	-172.9	-58.4	-49.3	0	0	0	109.9	S340	S340-D342 PolarHBondContact O-N 3.45Å; S340-D342 WeakPolarHBondContact OG-CB 3.26Å; S340-D342 VanDerWaalsContact OG-CG 3.29Å; S340-D342 PolarHBondContact OG-N 3Å; S340-D342 PolarHBondContact OG-OD2 3.45Å
343	R	67.5	Low	71.7	Confident	169 Å²	169	92.5 Å²	92.5	64%	0.638	49%	0.488	S	S	*	.			trans	-59.2	158.3	163.1	-60.5	-176.9	-176	-161.9	0.2	108.8	Q341 S345	Q341-R343 PolarHBondContact O-N 2.81Å; R343-S345 PolarHBondContact O-N 2.88Å; R343-S345 VanDerWaalsContact O-N 3.1Å
344	C	79.2	Confident	72	Confident	9 Å²	9	91.7 Å²	91.7	6%	0.061	48%	0.484	C	S	.	.			trans	-49.5	124.3	177	-174.7	0	0	0	0	110.6	I346 C349 K351 H353 H358	C344-I346 PolarHBondContact O-N 2.91Å; C344-I346 VanDerWaalsContact O-N 3.16Å; C344-C349 HydrophobicContact CB-CB 3.81Å; C344-C349 VanDerWaalsContact CB-SG 3.59Å; C344-K351 PolarHBondContact N-O 2.94Å; C344-K351 VanDerWaalsContact N-O 3.14Å; C344-H353 WeakPolarHBondContact CA-O 3.46Å; C344-H353 VanDerWaalsContact SG-CD2 3.55Å; C344-H353 PolarHBondContact SG-NE2 2.79Å; C344-H358 PolarHBondContact SG-ND1 3.27Å
345	S	73.9	Confident	72.8	Confident	95 Å²	95	93.6 Å²	93.6	66%	0.664	48%	0.483	S	S	*	.			trans	-76.7	4.2	-174.9	54.1	0	0	0	0	114.4	R343	R343-S345 PolarHBondContact O-N 2.88Å; R343-S345 VanDerWaalsContact O-N 3.1Å
346	I	77.5	Confident	73.6	Confident	69 Å²	69	92.7 Å²	92.7	35%	0.354	47%	0.473	S	S	.	.	S	Bend	trans	-84	130.7	175.6	-69.1	166.2	0	0	0	108.8	C344 D348 C349 H358	C344-I346 PolarHBondContact O-N 2.91Å; C344-I346 VanDerWaalsContact O-N 3.16Å; I346-D348 PolarHBondContact O-N 2.97Å; I346-C349 HydrophobicContact CB-CB 4.45Å; I346-C349 VanDerWaalsContact O-CB 3.32Å; I346-C349 WeakPolarHBondContact O-CB 3.11Å; I346-C349 PolarHBondContact O-N 2.8Å; I346-C349 VanDerWaalsContact O-N 3.1Å; I346-H358 HydrophobicContact CD1-CB 3.49Å; I346-H358 VanDerWaalsContact CD1-CB 3.49Å
347	K	66.7	Low	74.5	Confident	180 Å²	180	87.5 Å²	87.5	78%	0.783	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	135.5	177.2	-159	178	178.7	-173.4	0	109.6	C349	K347-C349 VanDerWaalsContact C-N 3.3Å; K347-C349 PolarHBondContact O-N 3.31Å
348	D	63.9	Low	75.1	Confident	125 Å²	125	85.9 Å²	85.9	67%	0.668	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	9.2	-177.9	-46.4	-42.7	0	0	0	116.6	I346	I346-D348 PolarHBondContact O-N 2.97Å
349	C	67.9	Low	74.7	Confident	8 Å²	8	84.8 Å²	84.8	5%	0.054	41%	0.41	C	S	.	.			trans	-104	107.7	172.7	-159.1	0	0	0	0	112.1	C344 I346 K347 H353 H358	C344-C349 HydrophobicContact CB-CB 3.81Å; C344-C349 VanDerWaalsContact CB-SG 3.59Å; I346-C349 HydrophobicContact CB-CB 4.45Å; I346-C349 VanDerWaalsContact O-CB 3.32Å; I346-C349 WeakPolarHBondContact O-CB 3.11Å; I346-C349 PolarHBondContact O-N 2.8Å; I346-C349 VanDerWaalsContact O-N 3.1Å; K347-C349 VanDerWaalsContact C-N 3.3Å; K347-C349 PolarHBondContact O-N 3.31Å; C349-H353 PolarHBondContact SG-CE1 2.92Å; C349-H358 VanDerWaalsContact SG-CE1 3.57Å; C349-H358 PolarHBondContact SG-ND1 3.1Å; C349-H358 VanDerWaalsContact SG-ND1 3.4Å
350	H	69.8	Low	73.8	Confident	150 Å²	150	83.9 Å²	83.9	69%	0.694	41%	0.409	S	S	*	.			trans	-95.4	7.6	176.9	-57.6	-49.9	0	0	0	114
351	K	71.3	Confident	72.7	Confident	78 Å²	78	85.9 Å²	85.9	34%	0.339	43%	0.428	S	S	.	.	S	Bend	trans	-82.6	148.6	-177.1	-61.7	-171.7	-170.7	-176.5	0	111.3	C344 H353 D362	C344-K351 PolarHBondContact N-O 2.94Å; C344-K351 VanDerWaalsContact N-O 3.14Å; K351-H353 WeakPolarHBondContact CB-ND1 3.39Å; K351-H353 PolarHBondContact O-N 3.12Å; K351-H353 VanDerWaalsContact O-N 3.13Å; K351-D362 HydrophobicContact CD-CB 4.43Å; K351-D362 WeakPolarHBondContact CE-O 3.49Å; K351-D362 PolarHBondContact NZ-O 3.34Å; K351-D362 IonicContact NZ-OD1 3.95Å; K351-D362 PolarHBondContact NZ-OD1 3.34Å
352	S	77.4	Confident	71.7	Confident	80 Å²	80	79.6 Å²	79.6	56%	0.559	40%	0.4	S	S	*	.	S	Bend	trans	-84.5	77.4	177	-57.6	0	0	0	0	110.8
353	H	84.4	Confident	70.4	Confident	19 Å²	19	76.3 Å²	76.3	9%	0.088	39%	0.385	C	S	.	.	S	Bend	trans	-144.9	154.6	173.9	62.3	-118.4	0	0	0	112.1	F326 C344 C349 K351 H358	F326-H353 CarbonylContact O-C 3.48Å; F326-H353 VanDerWaalsContact O-CA 3.27Å; F326-H353 WeakPolarHBondContact O-CA 3.47Å; C344-H353 WeakPolarHBondContact CA-O 3.46Å; C344-H353 VanDerWaalsContact SG-CD2 3.55Å; C344-H353 PolarHBondContact SG-NE2 2.79Å; C349-H353 PolarHBondContact SG-CE1 2.92Å; K351-H353 WeakPolarHBondContact CB-ND1 3.39Å; K351-H353 PolarHBondContact O-N 3.12Å; K351-H353 VanDerWaalsContact O-N 3.13Å; H353-H358 AromaticContact NE2-CG 3.76Å; H353-H358 AromaticContact NE2-ND1 3.36Å; H353-H358 PolarHBondContact NE2-ND1 3.05Å
354	H	87.2	Confident	68.5	Low	31 Å²	31	70.6 Å²	70.6	14%	0.144	37%	0.371	C	S	.	.			trans	-67.2	142	177.1	-168.6	-91.3	0	0	0	110	F326 V327 L329 L356 L357	F326-H354 WeakPolarHBondContact O-CB 3.36Å; F326-H354 PolarHBondContact O-N 2.97Å; V327-H354 WeakPolarHBondContact O-CB 3.28Å; V327-H354 PolarHBondContact O-CD2 3.17Å; L329-H354 HydrophobicContact CD1-CB 4.15Å; L329-H354 WeakPolarHBondContact CD1-ND1 3.42Å; L329-H354 HydrophobicContact CG-CB 3.93Å; H354-L356 PolarHBondContact ND1-N 2.91Å; H354-L356 PolarHBondContact O-N 3.48Å; H354-L357 PolarHBondContact O-N 2.8Å
355	R	86.9	Confident	66.4	Low	161 Å²	161	78.6 Å²	78.6	61%	0.608	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-51.1	-32.2	-178.8	69.5	179.4	-178.3	178.2	-0.9	114.7	L357 H358	R355-L357 PolarHBondContact O-N 3.21Å; R355-H358 WeakPolarHBondContact O-CB 3.45Å; R355-H358 PolarHBondContact O-N 3.01Å
356	L	88	Confident	64.4	Low	24 Å²	24	74.6 Å²	74.6	13%	0.126	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-72.1	-12.7	178.9	-63.4	175	0	0	0	113.5	H302 F307 L308 R315 L329 H354	H302-L356 HydrophobicContact CB-CD1 4.16Å; F307-L356 HydrophobicContact CD1-CD1 4.32Å; F307-L356 HydrophobicContact CE1-CB 4.34Å; F307-L356 HydrophobicContact CE1-CD1 4.15Å; L308-L356 HydrophobicContact CD2-CD1 3.72Å; L308-L356 HydrophobicContact CD2-CD2 3.64Å; L308-L356 HydrophobicContact CD2-CG 4.35Å; R315-L356 PolarHBondContact NE-O 3.49Å; R315-L356 PolarHBondContact NH2-O 3.45Å; L329-L356 HydrophobicContact CD1-CB 4.44Å; L329-L356 HydrophobicContact CD1-CD1 4.09Å; H354-L356 PolarHBondContact ND1-N 2.91Å; H354-L356 PolarHBondContact O-N 3.48Å
357	L	87	Confident	62.5	Low	3 Å²	3	76.6 Å²	76.6	2%	0.016	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-106.1	8.7	178.2	-60	-174.8	0	0	0	112.7	F307 L312 R315 L316 F326 L329 H354 R355	F307-L357 HydrophobicContact CZ-CD2 4.14Å; L312-L357 VanDerWaalsContact CD1-C 3.44Å; L312-L357 WeakPolarHBondContact CD1-O 3.32Å; R315-L357 HydrophobicContact CB-CD2 3.77Å; L316-L357 HydrophobicContact CD2-CB 4.15Å; L316-L357 HydrophobicContact CD2-CD1 4.33Å; L316-L357 HydrophobicContact CD2-CD2 4.18Å; L316-L357 HydrophobicContact CD2-CG 4.47Å; L316-L357 HydrophobicContact CG-CD2 4.39Å; F326-L357 HydrophobicContact CB-CD1 4.5Å; F326-L357 HydrophobicContact CD1-CD1 3.59Å; F326-L357 HydrophobicContact CE1-CD1 4.25Å; F326-L357 HydrophobicContact CG-CD1 4.45Å; L329-L357 HydrophobicContact CD2-CD1 3.83Å; L329-L357 HydrophobicContact CD2-CG 4.21Å; H354-L357 PolarHBondContact O-N 2.8Å; R355-L357 PolarHBondContact O-N 3.21Å
358	H	83.9	Confident	61.3	Low	32 Å²	32	68.8 Å²	68.8	15%	0.148	35%	0.348	C	S	.	.			trans	-78.3	129.6	178.6	-175.9	108.2	0	0	0	111.2	C344 I346 C349 H353 R355 C363	C344-H358 PolarHBondContact SG-ND1 3.27Å; I346-H358 HydrophobicContact CD1-CB 3.49Å; I346-H358 VanDerWaalsContact CD1-CB 3.49Å; C349-H358 VanDerWaalsContact SG-CE1 3.57Å; C349-H358 PolarHBondContact SG-ND1 3.1Å; C349-H358 VanDerWaalsContact SG-ND1 3.4Å; H353-H358 AromaticContact NE2-CG 3.76Å; H353-H358 AromaticContact NE2-ND1 3.36Å; H353-H358 PolarHBondContact NE2-ND1 3.05Å; R355-H358 WeakPolarHBondContact O-CB 3.45Å; R355-H358 PolarHBondContact O-N 3.01Å; H358-C363 PolarHBondContact CE1-SG 3Å
359	G	71.3	Confident	60.2	Low	3 Å²	3	64.1 Å²	64.1	3%	0.031	33%	0.33	C	S	.	.			trans	-113.2	152.9	172.1	0	0	0	0	0	114.7	A361 D362	G359-A361 PolarHBondContact O-N 3.22Å; G359-A361 VanDerWaalsContact O-N 3.15Å; G359-D362 WeakPolarHBondContact O-CB 3.41Å; G359-D362 PolarHBondContact O-N 2.82Å
360	E	55.4	Low	58.8	Low	189 Å²	189	66 Å²	66	88%	0.883	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-57	-28.1	174.4	-70.3	-179.2	161.6	0	0	112.3	D362	E360-D362 VanDerWaalsContact C-N 3.33Å
361	A	45.7	Very low	57.3	Low	78 Å²	78	64.2 Å²	64.2	65%	0.645	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-69.3	-27	172.8	0	0	0	0	0	113.3	G359 C363 S364	G359-A361 PolarHBondContact O-N 3.22Å; G359-A361 VanDerWaalsContact O-N 3.15Å; A361-C363 VanDerWaalsContact C-N 3.33Å; A361-C363 PolarHBondContact O-N 3Å; A361-S364 PolarHBondContact O-N 3.25Å; A361-S364 PolarHBondContact O-OG 2.91Å
362	D	39.5	Very low	55.8	Low	55 Å²	55	67.6 Å²	67.6	29%	0.294	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-77.7	-15.2	-175.5	-77.3	-51.8	0	0	0	114.4	K351 G359 E360	K351-D362 HydrophobicContact CD-CB 4.43Å; K351-D362 WeakPolarHBondContact CE-O 3.49Å; K351-D362 PolarHBondContact NZ-O 3.34Å; K351-D362 IonicContact NZ-OD1 3.95Å; K351-D362 PolarHBondContact NZ-OD1 3.34Å; G359-D362 WeakPolarHBondContact O-CB 3.41Å; G359-D362 PolarHBondContact O-N 2.82Å; E360-D362 VanDerWaalsContact C-N 3.33Å
363	C	35.1	Very low	54.2	Low	44 Å²	44	67.4 Å²	67.4	30%	0.297	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-96.5	0.4	172	-84.1	0	0	0	0	113.9	H358 A361	H358-C363 PolarHBondContact CE1-SG 3Å; A361-C363 VanDerWaalsContact C-N 3.33Å; A361-C363 PolarHBondContact O-N 3Å
364	S	27.5	Very low	52.4	Low	49 Å²	49	71.9 Å²	71.9	34%	0.343	36%	0.358	S	S	.	.			trans	-108	89	-170.7	69.5	0	0	0	0	112.1	A361	A361-S364 PolarHBondContact O-N 3.25Å; A361-S364 PolarHBondContact O-OG 2.91Å
365	R	34.4	Very low	50.4	Low	178 Å²	178	80.8 Å²	80.8	67%	0.672	39%	0.39	S	S	*	.			trans	-133.2	80.5	173.2	-91.1	-174	167.7	-178.8	-5.4	108.7	R439	R365-R439 VanDerWaalsContact C-CZ 3.47Å; R365-R439 VanDerWaalsContact CA-NH1 3.26Å; R365-R439 VanDerWaalsContact O-CZ 3.3Å; R365-R439 PolarHBondContact O-NH1 2.9Å; R365-R439 PolarHBondContact O-NH2 3.07Å
366	A	32.2	Very low	48.8	Very low	10 Å²	10	77.6 Å²	77.6	8%	0.083	38%	0.383	C	S	.	.			trans	165.2	94	143.2	0	0	0	0	0	106.1
367	Q	36.5	Very low	47.6	Very low	111 Å²	111	80 Å²	80	52%	0.519	39%	0.394	S	S	.	.			trans	-107.7	126.5	171.4	-81.1	-174.9	-5.9	0	0	108.1	G369	Q367-G369 PolarHBondContact O-N 3.2Å
368	V	41.9	Very low	46.9	Very low	16 Å²	16	81.7 Å²	81.7	10%	0.097	40%	0.401	C	S	.	.			trans	-62.3	120.2	157.9	-177	0	0	0	0	106.3	L370 L470 F554 V556	V368-L370 PolarHBondContact O-N 2.93Å; V368-L470 WeakPolarHBondContact CG2-O 3.41Å; V368-F554 HydrophobicContact CB-CD1 4.26Å; V368-F554 HydrophobicContact CG1-CB 4.11Å; V368-F554 HydrophobicContact CG1-CD1 3.56Å; V368-F554 HydrophobicContact CG1-CE1 4.49Å; V368-F554 HydrophobicContact CG1-CG 4.28Å; V368-V556 HydrophobicContact CG2-CG2 4.39Å
369	G	40.8	Very low	46.6	Very low	28 Å²	28	82.9 Å²	82.9	29%	0.289	41%	0.411	S	S	.	.			trans	-57.8	111.9	-168.9	0	0	0	0	0	111.8	Q367	Q367-G369 PolarHBondContact O-N 3.2Å
370	L	38.8	Very low	47.4	Very low	47 Å²	47	83 Å²	83	25%	0.246	41%	0.41	C	S	.	.			trans	-94.3	117.1	177.1	-132.8	98.7	0	0	0	108.8	V368 Q472 V550 N552	V368-L370 PolarHBondContact O-N 2.93Å; L370-Q472 HydrophobicContact CD1-CB 4.11Å; L370-Q472 HydrophobicContact CD1-CG 4.21Å; L370-Q472 HydrophobicContact CD2-CB 4.3Å; L370-Q472 HydrophobicContact CD2-CG 4.24Å; L370-V550 HydrophobicContact CD2-CG1 4.31Å; L370-N552 HydrophobicContact CD1-CB 4.4Å; L370-N552 WeakPolarHBondContact CD2-OD1 3.42Å; L370-N552 WeakPolarHBondContact CG-OD1 3.48Å
371	L	37.1	Very low	49	Very low	112 Å²	112	76.3 Å²	76.3	59%	0.586	38%	0.38	S	S	*	.			trans	-92	104	164.4	-86	162	0	0	0	108.7	N373 F433 Q551	L371-N373 PolarHBondContact O-N 2.93Å; L371-F433 HydrophobicContact CD1-CD1 4.24Å; L371-F433 HydrophobicContact CD1-CE1 4.28Å; L371-Q551 VanDerWaalsContact O-O 3.05Å
372	R	41.4	Very low	51.2	Low	149 Å²	149	74 Å²	74	56%	0.562	36%	0.356	S	S	*	.			trans	-75	110	172.8	-118.6	-178.8	174.9	-167.8	-1.1	109	V550	R372-V550 HydrophobicContact CG-CG1 3.63Å; R372-V550 HydrophobicContact CG-CG2 4.26Å
373	N	43.2	Very low	53.8	Low	76 Å²	76	71.6 Å²	71.6	41%	0.406	34%	0.343	S	S	.	.			trans	-108.2	120	166.8	-164.1	-8.3	0	0	0	109.6	L371 R375	L371-N373 PolarHBondContact O-N 2.93Å; N373-R375 VanDerWaalsContact C-N 3.3Å; N373-R375 PolarHBondContact O-N 3Å
374	H	47.5	Very low	56.7	Low	113 Å²	113	69.5 Å²	69.5	52%	0.523	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	8.1	-173.4	-72.3	-73	0	0	0	114.5
375	R	44.2	Very low	59.9	Low	218 Å²	218	70.3 Å²	70.3	82%	0.823	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	12.7	-167.2	-79.1	-171.2	171.7	-172.5	-1.5	116.1	N373	N373-R375 VanDerWaalsContact C-N 3.3Å; N373-R375 PolarHBondContact O-N 3Å
376	M	54	Low	62.8	Low	94 Å²	94	61.9 Å²	61.9	46%	0.463	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.9	-170.2	-65.1	-69.4	166.4	0	0	113.7	G549	M376-G549 PolarHBondContact O-N 2.9Å; M376-G549 VanDerWaalsContact O-N 3.15Å
377	E	62.8	Low	65.7	Low	76 Å²	76	65 Å²	65	36%	0.355	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	143.8	176.1	-68.3	176.1	173.7	0	0	110.9	K526	E377-K526 IonicContact OE1-NZ 2.86Å; E377-K526 PolarHBondContact OE1-NZ 3.19Å
378	K	71.9	Confident	68.5	Low	37 Å²	37	59.8 Å²	59.8	16%	0.161	28%	0.278	C	S	.	.			trans	-63.2	136.8	177.1	-174.1	174.6	-177.4	173.5	0	110.6	A476 A543	K378-A476 WeakPolarHBondContact CE-O 3.36Å; K378-A476 PolarHBondContact NZ-O 3.05Å; K378-A543 HydrophobicContact CB-CB 4.21Å; K378-A543 HydrophobicContact CG-CB 4.28Å; K378-A543 WeakPolarHBondContact O-CB 3.22Å; K378-A543 PolarHBondContact O-N 2.94Å
379	V	78.3	Confident	70.8	Confident	57 Å²	57	59.1 Å²	59.1	35%	0.345	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.9	-178.8	179.8	0	0	0	0	109.4	G541	V379-G541 CarbonylContact C-O 3.59Å; V379-G541 WeakPolarHBondContact CA-O 3.28Å; V379-G541 WeakPolarHBondContact CG1-O 3.37Å
380	F	87.1	Confident	72.8	Confident	5 Å²	5	57.9 Å²	57.9	2%	0.022	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.5	169.5	-66.2	-50.5	0	0	0	111	P478 W484 F496 P528 L539 S540 G541 A543	F380-P478 VanDerWaalsContact CE1-CD 3.46Å; F380-P478 HydrophobicContact CE1-CG 3.94Å; F380-P478 HydrophobicContact CZ-CG 3.87Å; F380-W484 AromaticContact CE2-CH2 3.94Å; F380-W484 HydrophobicContact CE2-CH2 3.94Å; F380-W484 AromaticContact CE2-CZ3 4Å; F380-W484 HydrophobicContact CE2-CZ3 4Å; F380-W484 HydrophobicContact CZ-CH2 4.24Å; F380-W484 HydrophobicContact CZ-CZ3 4.33Å; F380-F496 AromaticContact CD1-CE1 3.86Å; F380-F496 HydrophobicContact CD1-CE1 3.86Å; F380-F496 HydrophobicContact CE1-CD1 4.36Å; F380-F496 AromaticContact CE1-CE1 3.72Å; F380-F496 HydrophobicContact CE1-CE1 3.72Å; F380-F496 HydrophobicContact CG-CE1 4.46Å; F380-F496 HydrophobicContact CZ-CE1 4.17Å; F380-P528 HydrophobicContact CD2-CB 3.67Å; F380-P528 HydrophobicContact CD2-CG 4.27Å; F380-P528 HydrophobicContact CE2-CB 4.02Å; F380-P528 HydrophobicContact CE2-CG 4.11Å; F380-L539 HydrophobicContact CB-CB 4.42Å; F380-L539 HydrophobicContact CD2-CB 4.39Å; F380-L539 HydrophobicContact CG-CB 4.5Å; F380-S540 WeakPolarHBondContact O-CA 3.37Å; F380-G541 PolarHBondContact N-O 3.29Å; F380-G541 PolarHBondContact O-N 3.27Å; F380-G541 VanDerWaalsContact O-N 3.16Å; F380-A543 HydrophobicContact CD2-CB 4.09Å; F380-A543 HydrophobicContact CE1-CB 4.15Å; F380-A543 HydrophobicContact CE2-CB 3.6Å; F380-A543 HydrophobicContact CZ-CB 3.63Å
381	L	88.7	Confident	74.4	Confident	49 Å²	49	59.3 Å²	59.3	26%	0.257	29%	0.288	S	S	.	.			trans	-85.9	151.5	169.1	-62	175.1	0	0	0	109.4	T383 L401 L474 N552 F554	L381-T383 VanDerWaalsContact C-N 3.32Å; L381-T383 HydrophobicContact CB-CG2 4.37Å; L381-T383 PolarHBondContact O-N 2.83Å; L381-L401 HydrophobicContact CB-CD1 3.92Å; L381-L401 HydrophobicContact CD1-CD1 4.49Å; L381-L474 HydrophobicContact CD1-CD2 3.84Å; L381-N552 HydrophobicContact CD1-CB 4.41Å; L381-N552 WeakPolarHBondContact CD1-ND2 3.47Å; L381-F554 HydrophobicContact CD1-CE2 4.36Å; L381-F554 HydrophobicContact CD2-CE2 4.49Å
382	Q	92.7	Very high	76	Confident	30 Å²	30	58.4 Å²	58.4	14%	0.14	28%	0.284	C	S	.	.			trans	-73.1	85.3	179.8	-71.1	-176.5	-13	0	0	110.7	F402 Y512 I538 S540	Q382-F402 HydrophobicContact CB-CB 3.91Å; Q382-F402 PolarHBondContact O-N 3.38Å; Q382-Y512 PolarHBondContact NE2-OH 3.24Å; Q382-Y512 VanDerWaalsContact OE1-CE2 3.3Å; Q382-Y512 PolarHBondContact OE1-OH 3.04Å; Q382-I538 VanDerWaalsContact CA-CG2 3.43Å; Q382-I538 HydrophobicContact CB-CG2 3.63Å; Q382-I538 HydrophobicContact CG-CG2 3.88Å; Q382-S540 WeakPolarHBondContact CG-OG 3.42Å
383	T	94.5	Very high	77.5	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.025	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	150.5	179.6	55.5	0	0	0	0	111.9	L381 C400 L401 L474 D494	L381-T383 VanDerWaalsContact C-N 3.32Å; L381-T383 HydrophobicContact CB-CG2 4.37Å; L381-T383 PolarHBondContact O-N 2.83Å; T383-C400 VanDerWaalsContact CA-O 3.31Å; T383-C400 WeakPolarHBondContact CA-O 3.21Å; T383-L401 HydrophobicContact CG2-CD1 3.97Å; T383-L474 HydrophobicContact CG2-CD1 3.42Å; T383-L474 VanDerWaalsContact CG2-CD1 3.42Å; T383-D494 WeakPolarHBondContact CB-OD2 3.47Å; T383-D494 PolarHBondContact OG1-OD2 3.48Å
384	A	94.9	Very high	79.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.2	173.5	0	0	0	0	0	110.9	C400 F402 A493 F535 I538	A384-C400 PolarHBondContact N-O 2.91Å; A384-C400 PolarHBondContact O-N 3.31Å; A384-F402 HydrophobicContact CB-CE2 3.89Å; A384-A493 CarbonylContact C-O 3.5Å; A384-A493 WeakPolarHBondContact CA-O 3.15Å; A384-A493 HydrophobicContact CB-CB 3.76Å; A384-F535 HydrophobicContact CB-CB 4.1Å; A384-F535 HydrophobicContact CB-CD2 3.81Å; A384-F535 HydrophobicContact CB-CG 4.35Å; A384-I538 HydrophobicContact CB-CD1 4.29Å; A384-I538 HydrophobicContact CB-CG1 4.36Å
385	R	95.4	Very high	81	Confident	67 Å²	67	50.8 Å²	50.8	25%	0.253	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.8	166.5	-61.5	-167.5	69.5	178.2	3.2	109.5	V397 I398 L453 A493	R385-V397 HydrophobicContact CB-CG1 4.48Å; R385-V397 VanDerWaalsContact NH2-CG1 3.27Å; R385-I398 WeakPolarHBondContact CA-O 3.47Å; R385-L453 HydrophobicContact CB-CD1 3.74Å; R385-A493 PolarHBondContact N-O 3.43Å
386	A	94.7	Very high	83.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155.6	179.5	0	0	0	0	0	110.5	V397 I398 L450 F535	A386-V397 WeakPolarHBondContact O-CA 3.42Å; A386-I398 PolarHBondContact N-O 2.79Å; A386-I398 WeakPolarHBondContact O-CG1 3.43Å; A386-I398 PolarHBondContact O-N 2.95Å; A386-L450 HydrophobicContact CB-CB 4.47Å; A386-F535 HydrophobicContact CB-CD1 4.14Å; A386-F535 HydrophobicContact CB-CD2 4.46Å; A386-F535 HydrophobicContact CB-CE1 3.79Å; A386-F535 HydrophobicContact CB-CE2 4.11Å; A386-F535 HydrophobicContact CB-CG 4.48Å; A386-F535 HydrophobicContact CB-CZ 3.77Å
387	R	94	Very high	85.2	Confident	77 Å²	77	42.8 Å²	42.8	29%	0.291	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	116.2	167.5	-174.9	176	-64.3	115.7	-1.9	108.3	L396 L450 Q451 L453	R387-L396 CarbonylContact C-O 3.57Å; R387-L396 VanDerWaalsContact CA-O 3.27Å; R387-L396 WeakPolarHBondContact CA-O 3.3Å; R387-L450 WeakPolarHBondContact O-CA 3.43Å; R387-Q451 HydrophobicContact CB-CG 3.75Å; R387-Q451 VanDerWaalsContact CD-NE2 3.27Å; R387-Q451 HydrophobicContact CG-CG 4.34Å; R387-Q451 PolarHBondContact N-O 2.63Å; R387-Q451 PolarHBondContact O-N 3.46Å; R387-L453 HydrophobicContact CB-CD2 4.17Å
388	I	94.9	Very high	86.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	147.3	172.9	-172.7	164.1	0	0	0	109.8	S395 L396 I398 I411 L415 L419 F448 S449 L450 V505	I388-S395 WeakPolarHBondContact O-CA 3.41Å; I388-S395 WeakPolarHBondContact O-CB 3.45Å; I388-L396 HydrophobicContact CG2-CB 3.95Å; I388-L396 WeakPolarHBondContact CG2-O 3.42Å; I388-L396 PolarHBondContact N-O 3.39Å; I388-L396 PolarHBondContact O-N 3.32Å; I388-I398 HydrophobicContact CB-CD1 3.82Å; I388-I398 HydrophobicContact CB-CG1 4.03Å; I388-I398 HydrophobicContact CB-CG2 4.4Å; I388-I398 HydrophobicContact CD1-CD1 4.09Å; I388-I398 HydrophobicContact CG1-CD1 4.49Å; I388-I398 HydrophobicContact CG2-CB 4.47Å; I388-I398 HydrophobicContact CG2-CD1 4.2Å; I388-I398 HydrophobicContact CG2-CG1 4.1Å; I388-I398 HydrophobicContact CG2-CG2 3.57Å; I388-I411 HydrophobicContact CD1-CD1 3.82Å; I388-L415 HydrophobicContact CD1-CD2 4.34Å; I388-L419 HydrophobicContact CB-CD1 4.48Å; I388-L419 HydrophobicContact CD1-CD1 3.59Å; I388-L419 HydrophobicContact CG1-CD1 3.8Å; I388-L419 HydrophobicContact CG2-CD1 3.86Å; I388-F448 HydrophobicContact CD1-CB 4.29Å; I388-F448 HydrophobicContact CD1-CD2 3.49Å; I388-F448 VanDerWaalsContact CD1-CD2 3.49Å; I388-F448 HydrophobicContact CD1-CE2 3.89Å; I388-F448 HydrophobicContact CD1-CG 3.86Å; I388-F448 HydrophobicContact CG1-CB 4.27Å; I388-F448 HydrophobicContact CG1-CD2 3.78Å; I388-F448 HydrophobicContact CG1-CG 4.24Å; I388-S449 CarbonylContact C-O 3.44Å; I388-S449 WeakPolarHBondContact CA-O 3.47Å; I388-L450 HydrophobicContact CB-CD2 3.84Å; I388-L450 HydrophobicContact CD1-CD2 4.27Å; I388-L450 HydrophobicContact CG1-CD2 3.95Å; I388-V505 HydrophobicContact CD1-CG2 4.3Å
389	S	90.6	Very high	87.9	Confident	2 Å²	2	38 Å²	38	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	133.1	171.1	-53.2	0	0	0	0	112	S394 S395 S449 R459	S389-S394 WeakPolarHBondContact CA-O 2.95Å; S389-S395 WeakPolarHBondContact OG-CB 3.38Å; S389-S449 PolarHBondContact N-O 3.22Å; S389-S449 PolarHBondContact O-N 2.75Å; S389-S449 PolarHBondContact O-OG 3.41Å; S389-S449 VanDerWaalsContact O-OG 3.06Å; S389-R459 PolarHBondContact OG-NH2 3.41Å; S389-R459 VanDerWaalsContact OG-NH2 3.11Å
390	G	82.6	Confident	88.7	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.021	22%	0.221	C	C	.	.			trans	-88	179.6	171.5	0	0	0	0	0	113	N392 G393 S394	G390-N392 PolarHBondContact O-N 2.76Å; G390-G393 PolarHBondContact O-N 2.81Å; G390-S394 PolarHBondContact N-O 3.08Å
391	G	71.3	Confident	89.1	Confident	78 Å²	78	35.2 Å²	35.2	80%	0.804	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.4	176.5	0	0	0	0	0	114.6	G393	G391-G393 VanDerWaalsContact C-N 3.34Å
392	N	71.9	Confident	89.3	Confident	93 Å²	93	33.3 Å²	33.3	50%	0.497	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1	178.7	59.6	-0.8	0	0	0	114.2	G390 S394 L419	G390-N392 PolarHBondContact O-N 2.76Å; N392-S394 VanDerWaalsContact C-N 3.26Å; N392-S394 PolarHBondContact O-N 3.06Å; N392-S394 WeakPolarHBondContact OD1-CB 3.37Å; N392-S394 PolarHBondContact OD1-N 3.49Å; N392-L419 PolarHBondContact ND2-O 3.18Å
393	G	72.9	Confident	89.1	Confident	59 Å²	59	32.6 Å²	32.6	61%	0.608	21%	0.208	S	C	*	.	S	Bend	trans	82.6	-9.6	-178.9	0	0	0	0	0	115.1	G390 G391 S395	G390-G393 PolarHBondContact O-N 2.81Å; G391-G393 VanDerWaalsContact C-N 3.34Å; G393-S395 PolarHBondContact O-N 3.46Å
394	S	78.2	Confident	88.6	Confident	55 Å²	55	34.8 Å²	34.8	39%	0.385	23%	0.226	S	C	.	.			trans	-61.6	135.3	173.6	-64.3	0	0	0	0	110.6	S389 G390 N392	S389-S394 WeakPolarHBondContact CA-O 2.95Å; G390-S394 PolarHBondContact N-O 3.08Å; N392-S394 VanDerWaalsContact C-N 3.26Å; N392-S394 PolarHBondContact O-N 3.06Å; N392-S394 WeakPolarHBondContact OD1-CB 3.37Å; N392-S394 PolarHBondContact OD1-N 3.49Å
395	S	85.4	Confident	87.8	Confident	63 Å²	63	43.2 Å²	43.2	44%	0.441	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	140	179.3	81.2	0	0	0	0	112.4	I388 S389 G393	I388-S395 WeakPolarHBondContact O-CA 3.41Å; I388-S395 WeakPolarHBondContact O-CB 3.45Å; S389-S395 WeakPolarHBondContact OG-CB 3.38Å; G393-S395 PolarHBondContact O-N 3.46Å
396	L	92.4	Very high	87.1	Confident	84 Å²	84	40 Å²	40	44%	0.44	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	155.3	-178.6	-72.7	159.8	0	0	0	109.1	R387 I388 I398 L415 L419	R387-L396 CarbonylContact C-O 3.57Å; R387-L396 VanDerWaalsContact CA-O 3.27Å; R387-L396 WeakPolarHBondContact CA-O 3.3Å; I388-L396 HydrophobicContact CG2-CB 3.95Å; I388-L396 WeakPolarHBondContact CG2-O 3.42Å; I388-L396 PolarHBondContact N-O 3.39Å; I388-L396 PolarHBondContact O-N 3.32Å; L396-I398 HydrophobicContact CB-CG2 4.47Å; L396-L415 HydrophobicContact CD1-CD1 3.96Å; L396-L419 HydrophobicContact CD1-CD2 3.86Å; L396-L419 HydrophobicContact CD1-CG 4.26Å; L396-L419 HydrophobicContact CG-CD2 4.5Å
397	V	93.7	Very high	86.4	Confident	61 Å²	61	44.6 Å²	44.6	37%	0.37	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.2	170.4	177.4	0	0	0	0	108.6	R385 A386 L453	R385-V397 HydrophobicContact CB-CG1 4.48Å; R385-V397 VanDerWaalsContact NH2-CG1 3.27Å; A386-V397 WeakPolarHBondContact O-CA 3.42Å; V397-L453 HydrophobicContact CB-CD2 4.33Å; V397-L453 HydrophobicContact CG1-CD1 4.21Å; V397-L453 HydrophobicContact CG1-CD2 3.77Å; V397-L453 HydrophobicContact CG2-CD2 3.69Å
398	I	95.1	Very high	86.1	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	163.6	-172.9	59.6	155.2	0	0	0	111.8	R385 A386 I388 L396 L415 L450 D504 V505	R385-I398 WeakPolarHBondContact CA-O 3.47Å; A386-I398 PolarHBondContact N-O 2.79Å; A386-I398 WeakPolarHBondContact O-CG1 3.43Å; A386-I398 PolarHBondContact O-N 2.95Å; I388-I398 HydrophobicContact CB-CD1 3.82Å; I388-I398 HydrophobicContact CB-CG1 4.03Å; I388-I398 HydrophobicContact CB-CG2 4.4Å; I388-I398 HydrophobicContact CD1-CD1 4.09Å; I388-I398 HydrophobicContact CG1-CD1 4.49Å; I388-I398 HydrophobicContact CG2-CB 4.47Å; I388-I398 HydrophobicContact CG2-CD1 4.2Å; I388-I398 HydrophobicContact CG2-CG1 4.1Å; I388-I398 HydrophobicContact CG2-CG2 3.57Å; L396-I398 HydrophobicContact CB-CG2 4.47Å; I398-L415 HydrophobicContact CG2-CD1 4.28Å; I398-L415 HydrophobicContact CG2-CD2 3.83Å; I398-L450 HydrophobicContact CD1-CD2 3.81Å; I398-D504 WeakPolarHBondContact CA-OD2 3.32Å; I398-D504 HydrophobicContact CB-CB 3.7Å; I398-D504 WeakPolarHBondContact CB-OD2 3.5Å; I398-D504 HydrophobicContact CD1-CB 4.27Å; I398-D504 HydrophobicContact CG2-CB 4.04Å; I398-V505 HydrophobicContact CD1-CB 4.06Å; I398-V505 HydrophobicContact CD1-CG2 3.44Å; I398-V505 VanDerWaalsContact CD1-CG2 3.44Å
399	T	95.7	Very high	86	Confident	8 Å²	8	42.2 Å²	42.2	5%	0.049	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	119.8	171.2	-55	0	0	0	0	110.2	T501 I502 D504 V505	T399-T501 HydrophobicContact CG2-CG2 3.9Å; T399-I502 WeakPolarHBondContact CB-O 3.47Å; T399-D504 PolarHBondContact N-OD2 3.47Å; T399-D504 WeakPolarHBondContact O-CB 3.26Å; T399-D504 PolarHBondContact O-N 3.13Å; T399-V505 PolarHBondContact O-N 2.99Å
400	C	96	Very high	86.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142.6	173.5	-59.5	0	0	0	0	110.5	T383 A384 F402 V505 I507	T383-C400 VanDerWaalsContact CA-O 3.31Å; T383-C400 WeakPolarHBondContact CA-O 3.21Å; A384-C400 PolarHBondContact N-O 2.91Å; A384-C400 PolarHBondContact O-N 3.31Å; C400-F402 HydrophobicContact CB-CE2 4.47Å; C400-V505 CarbonylContact C-O 3.54Å; C400-V505 VanDerWaalsContact CA-O 3.26Å; C400-V505 WeakPolarHBondContact CA-O 3.07Å; C400-I507 HydrophobicContact CB-CD1 4.09Å
401	L	94.7	Very high	86.7	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.5	167.8	177.1	66.1	0	0	0	108.9	L381 T383 V503 V505 L506 I507 F554	L381-L401 HydrophobicContact CB-CD1 3.92Å; L381-L401 HydrophobicContact CD1-CD1 4.49Å; T383-L401 HydrophobicContact CG2-CD1 3.97Å; L401-V503 HydrophobicContact CB-CB 4.43Å; L401-V503 HydrophobicContact CB-CG1 3.6Å; L401-V503 HydrophobicContact CB-CG2 3.91Å; L401-V503 HydrophobicContact CD2-CG2 4.22Å; L401-V505 PolarHBondContact N-O 2.94Å; L401-L506 HydrophobicContact CD2-CD1 4.32Å; L401-L506 CarbonylContact O-C 3.56Å; L401-L506 WeakPolarHBondContact O-CA 3.28Å; L401-I507 PolarHBondContact O-N 3.25Å; L401-F554 HydrophobicContact CD2-CE1 4.07Å; L401-F554 HydrophobicContact CD2-CE2 3.89Å; L401-F554 HydrophobicContact CD2-CZ 3.63Å
402	F	93.5	Very high	87.8	Confident	8 Å²	8	42.2 Å²	42.2	4%	0.035	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.9	173.7	-69.4	-93.5	0	0	0	110	Q382 A384 C400 I507 Y512 F515 M516 F535 I538	Q382-F402 HydrophobicContact CB-CB 3.91Å; Q382-F402 PolarHBondContact O-N 3.38Å; A384-F402 HydrophobicContact CB-CE2 3.89Å; C400-F402 HydrophobicContact CB-CE2 4.47Å; F402-I507 HydrophobicContact CD1-CB 3.83Å; F402-I507 HydrophobicContact CD1-CD1 4.05Å; F402-I507 HydrophobicContact CD1-CG2 3.86Å; F402-I507 HydrophobicContact CE1-CB 4.05Å; F402-I507 HydrophobicContact CE1-CD1 3.46Å; F402-I507 VanDerWaalsContact CE1-CD1 3.46Å; F402-I507 HydrophobicContact CE1-CG1 4.34Å; F402-I507 HydrophobicContact CE1-CG2 3.9Å; F402-I507 HydrophobicContact CE2-CD1 4.13Å; F402-I507 HydrophobicContact CG-CB 4.44Å; F402-I507 HydrophobicContact CZ-CD1 3.54Å; F402-Y512 HydrophobicContact CB-CD2 4.01Å; F402-Y512 HydrophobicContact CB-CE2 3.74Å; F402-Y512 HydrophobicContact CD1-CD2 4.1Å; F402-Y512 HydrophobicContact CD1-CE2 4.4Å; F402-F515 HydrophobicContact CE1-CB 3.59Å; F402-F515 AromaticContact CE1-CD2 3.75Å; F402-F515 HydrophobicContact CE1-CD2 3.75Å; F402-F515 AromaticContact CE1-CG 3.82Å; F402-F515 HydrophobicContact CE1-CG 3.82Å; F402-F515 HydrophobicContact CZ-CB 3.86Å; F402-F515 HydrophobicContact CZ-CD2 4.33Å; F402-F515 HydrophobicContact CZ-CG 4.06Å; F402-M516 HydrophobicContact CB-CE 3.94Å; F402-M516 HydrophobicContact CD1-CE 3.33Å; F402-M516 HydrophobicContact CD2-CE 3.92Å; F402-M516 HydrophobicContact CE1-CE 3.66Å; F402-M516 HydrophobicContact CE2-CE 4.2Å; F402-M516 HydrophobicContact CG-CE 3.45Å; F402-M516 VanDerWaalsContact CG-CE 3.45Å; F402-M516 HydrophobicContact CZ-CE 4.06Å; F402-F535 HydrophobicContact CE2-CD2 4.18Å; F402-F535 HydrophobicContact CE2-CE2 4.34Å; F402-F535 AromaticContact CZ-CD2 3.91Å; F402-F535 HydrophobicContact CZ-CD2 3.91Å; F402-F535 AromaticContact CZ-CE2 3.78Å; F402-F535 HydrophobicContact CZ-CE2 3.78Å; F402-I538 HydrophobicContact CD2-CD1 3.75Å; F402-I538 HydrophobicContact CE2-CD1 3.54Å; F402-I538 HydrophobicContact CZ-CD1 4.18Å
403	D	88.7	Confident	88.8	Confident	16 Å²	16	39.4 Å²	39.4	9%	0.086	22%	0.223	C	C	.	.			trans	-130.8	105.2	-178.1	177.6	22	0	0	0	111.2	R405 A406 L506 I507 F554	D403-R405 PolarHBondContact O-N 3.49Å; D403-R405 VanDerWaalsContact O-N 3.1Å; D403-R405 PolarHBondContact OD1-N 3.2Å; D403-A406 HydrophobicContact CB-CB 4.22Å; D403-A406 PolarHBondContact O-N 3.32Å; D403-A406 WeakPolarHBondContact OD2-CB 3.08Å; D403-A406 PolarHBondContact OD2-N 2.9Å; D403-L506 HydrophobicContact CB-CD1 4.44Å; D403-L506 HydrophobicContact CB-CD2 4.05Å; D403-L506 HydrophobicContact CB-CG 4.28Å; D403-I507 PolarHBondContact N-O 3.35Å; D403-F554 WeakPolarHBondContact OD2-CB 3.46Å
404	A	84	Confident	89.7	Confident	50 Å²	50	38.2 Å²	38.2	41%	0.413	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-1.3	177.1	0	0	0	0	0	113.8	L509 Y512	A404-L509 HydrophobicContact CB-CD2 4.12Å; A404-L509 WeakPolarHBondContact O-CD1 3.29Å; A404-L509 WeakPolarHBondContact O-CG 3.48Å; A404-Y512 HydrophobicContact CB-CE2 4.2Å
405	R	77.8	Confident	90.4	Very high	177 Å²	177	36 Å²	36	67%	0.668	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-2.3	174.7	-71.9	-173.1	164.6	140.8	-1.3	114.2	D403 F554	D403-R405 PolarHBondContact O-N 3.49Å; D403-R405 VanDerWaalsContact O-N 3.1Å; D403-R405 PolarHBondContact OD1-N 3.2Å; R405-F554 WeakPolarHBondContact CB-O 3.41Å
406	A	81.5	Confident	90.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-87.6	125	166.2	0	0	0	0	0	109.5	D403 C408 L506 G508 L509	D403-A406 HydrophobicContact CB-CB 4.22Å; D403-A406 PolarHBondContact O-N 3.32Å; D403-A406 WeakPolarHBondContact OD2-CB 3.08Å; D403-A406 PolarHBondContact OD2-N 2.9Å; A406-C408 VanDerWaalsContact C-N 3.28Å; A406-C408 PolarHBondContact O-N 2.96Å; A406-L506 HydrophobicContact CB-CD2 3.5Å; A406-L506 VanDerWaalsContact CB-CD2 3.5Å; A406-G508 CarbonylContact O-C 3.49Å; A406-G508 VanDerWaalsContact O-CA 3.26Å; A406-G508 WeakPolarHBondContact O-CA 3.28Å; A406-L509 PolarHBondContact O-N 3.46Å
407	Q	78.6	Confident	90.7	Very high	95 Å²	95	33 Å²	33	44%	0.444	17%	0.171	S	C	.	.	S	Bend	trans	-71.1	-26.6	176.1	-69.6	-176.5	-42.9	0	0	112.8	V556 T557 L558	Q407-V556 PolarHBondContact N-O 2.88Å; Q407-T557 VanDerWaalsContact OE1-CG2 3.32Å; Q407-L558 VanDerWaalsContact OE1-N 3.11Å
408	C	87.7	Confident	90.5	Very high	27 Å²	27	36 Å²	36	18%	0.182	19%	0.185	C	C	.	.	S	Bend	trans	-130.4	156.5	-176.8	-60	0	0	0	0	111	A406 F410 D510 L558	A406-C408 VanDerWaalsContact C-N 3.28Å; A406-C408 PolarHBondContact O-N 2.96Å; C408-F410 HydrophobicContact CB-CE2 4.43Å; C408-F410 HydrophobicContact CB-CZ 4.41Å; C408-F410 WeakPolarHBondContact O-CD2 3.4Å; C408-F410 WeakPolarHBondContact O-CE2 3.27Å; C408-D510 WeakPolarHBondContact CA-OD2 3.33Å; C408-L558 HydrophobicContact CB-CD1 4.11Å; C408-L558 WeakPolarHBondContact SG-CD1 3.44Å
409	S	93	Very high	90.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	18%	0.184	C	C	.	.			trans	-85.3	146.4	174.4	-65.7	0	0	0	0	111.9	M462 A464 L465 L506 G508 D510	S409-M462 VanDerWaalsContact CB-CE 3.4Å; S409-M462 WeakPolarHBondContact OG-CE 3.41Å; S409-A464 VanDerWaalsContact O-CA 3.31Å; S409-A464 WeakPolarHBondContact O-CA 3.41Å; S409-A464 WeakPolarHBondContact O-CB 3.4Å; S409-L465 PolarHBondContact O-N 3.47Å; S409-L506 CarbonylContact C-O 3.4Å; S409-L506 VanDerWaalsContact CA-O 3.23Å; S409-L506 WeakPolarHBondContact CA-O 3.49Å; S409-L506 WeakPolarHBondContact CB-O 3.39Å; S409-G508 PolarHBondContact OG-N 2.93Å; S409-D510 VanDerWaalsContact N-CG 3.32Å; S409-D510 PolarHBondContact N-OD1 3.4Å; S409-D510 VanDerWaalsContact N-OD1 3.07Å; S409-D510 PolarHBondContact N-OD2 3.24Å; S409-D510 PolarHBondContact OG-OD1 3.45Å
410	F	93.5	Very high	89.9	Confident	5 Å²	5	37.7 Å²	37.7	2%	0.022	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	149.2	-179.5	-60.2	-88.2	0	0	0	111.6	C408 L465 L467 L470 V505 L506 V556	C408-F410 HydrophobicContact CB-CE2 4.43Å; C408-F410 HydrophobicContact CB-CZ 4.41Å; C408-F410 WeakPolarHBondContact O-CD2 3.4Å; C408-F410 WeakPolarHBondContact O-CE2 3.27Å; F410-L465 CarbonylContact C-O 3.51Å; F410-L465 VanDerWaalsContact CA-O 3.27Å; F410-L465 WeakPolarHBondContact CA-O 3.49Å; F410-L465 HydrophobicContact CD1-CB 3.57Å; F410-L465 HydrophobicContact CD1-CD1 4.43Å; F410-L465 HydrophobicContact CE1-CB 3.78Å; F410-L465 HydrophobicContact CE1-CD1 3.78Å; F410-L465 HydrophobicContact CE1-CG 4.4Å; F410-L465 HydrophobicContact CZ-CD1 4.38Å; F410-L467 HydrophobicContact CB-CD1 4.49Å; F410-L467 HydrophobicContact CD1-CD1 3.3Å; F410-L467 HydrophobicContact CD1-CG 3.73Å; F410-L467 HydrophobicContact CE1-CD1 3.63Å; F410-L467 HydrophobicContact CE1-CG 4.24Å; F410-L467 HydrophobicContact CG-CD1 3.98Å; F410-L470 HydrophobicContact CB-CD2 3.53Å; F410-V505 CarbonylContact O-C 3.48Å; F410-V505 WeakPolarHBondContact O-CA 3.39Å; F410-L506 HydrophobicContact CB-CB 4.39Å; F410-L506 HydrophobicContact CD2-CD2 4.14Å; F410-L506 PolarHBondContact N-O 2.88Å; F410-L506 PolarHBondContact O-N 3.46Å; F410-V556 HydrophobicContact CE2-CB 4.18Å; F410-V556 HydrophobicContact CE2-CG1 4.04Å; F410-V556 HydrophobicContact CE2-CG2 4.28Å; F410-V556 HydrophobicContact CZ-CB 4.3Å; F410-V556 HydrophobicContact CZ-CG1 3.65Å
411	I	95.1	Very high	89.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.2	174.2	-177.2	166.1	0	0	0	109.6	I388 T413 L415 A416 L421 V446 F448 A464 L465 C466 L467 V505	I388-I411 HydrophobicContact CD1-CD1 3.82Å; I411-T413 PolarHBondContact O-N 3.4Å; I411-L415 HydrophobicContact CD1-CD2 4.23Å; I411-L415 HydrophobicContact CD1-CG 4.4Å; I411-L415 HydrophobicContact CG1-CD2 4.24Å; I411-A416 HydrophobicContact CD1-CB 4.17Å; I411-A416 HydrophobicContact CG1-CB 4.35Å; I411-A416 HydrophobicContact CG2-CB 4.22Å; I411-L421 HydrophobicContact CD1-CD1 4.08Å; I411-V446 HydrophobicContact CG2-CG2 3.54Å; I411-F448 HydrophobicContact CB-CE1 4.06Å; I411-F448 HydrophobicContact CB-CZ 4.32Å; I411-F448 HydrophobicContact CD1-CD1 3.89Å; I411-F448 HydrophobicContact CD1-CE1 3.63Å; I411-F448 HydrophobicContact CD1-CG 4.49Å; I411-F448 HydrophobicContact CD1-CZ 4.02Å; I411-F448 HydrophobicContact CG1-CE1 4.41Å; I411-F448 HydrophobicContact CG2-CE1 4.22Å; I411-A464 HydrophobicContact CB-CB 4.19Å; I411-A464 HydrophobicContact CG2-CB 4.08Å; I411-L465 PolarHBondContact N-O 2.96Å; I411-C466 WeakPolarHBondContact O-CA 3.45Å; I411-L467 PolarHBondContact O-N 3.38Å; I411-V505 HydrophobicContact CB-CG2 4.35Å; I411-V505 HydrophobicContact CD1-CG2 4.18Å; I411-V505 HydrophobicContact CG1-CG2 3.98Å
412	W	94.4	Very high	89.3	Confident	77 Å²	77	48.8 Å²	48.8	29%	0.292	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	124.5	174.6	-178.4	39.4	0	0	0	110.3	A414 L415 A416 L467 P468 L470 I502 D504	W412-A414 VanDerWaalsContact C-N 3.31Å; W412-A414 HydrophobicContact CD2-CB 4.01Å; W412-A414 HydrophobicContact CE3-CB 4.31Å; W412-A414 HydrophobicContact CH2-CB 3.79Å; W412-A414 HydrophobicContact CZ2-CB 3.48Å; W412-A414 VanDerWaalsContact CZ2-CB 3.48Å; W412-A414 HydrophobicContact CZ3-CB 4.19Å; W412-A414 PolarHBondContact O-N 2.67Å; W412-L415 HydrophobicContact CB-CB 4.28Å; W412-L415 HydrophobicContact CD2-CB 4.47Å; W412-L415 HydrophobicContact CE3-CB 3.83Å; W412-L415 WeakPolarHBondContact O-CB 3.38Å; W412-L415 PolarHBondContact O-N 3.5Å; W412-L415 VanDerWaalsContact O-N 3.14Å; W412-A416 PolarHBondContact O-N 3.3Å; W412-L467 WeakPolarHBondContact CA-O 3.33Å; W412-P468 PolarHBondContact NE1-O 3.14Å; W412-L470 HydrophobicContact CB-CD1 4.45Å; W412-L470 HydrophobicContact CB-CG 4.42Å; W412-I502 HydrophobicContact CE3-CD1 4.36Å; W412-I502 HydrophobicContact CH2-CD1 4.44Å; W412-I502 HydrophobicContact CZ3-CD1 4.1Å; W412-D504 PolarHBondContact N-O 3Å
413	T	92.8	Very high	88.9	Confident	34 Å²	34	50.5 Å²	50.5	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-55.7	-44.2	-173.1	-62.5	0	0	0	0	112.4	I411 L415 A416 D417 C466 L467	I411-T413 PolarHBondContact O-N 3.4Å; T413-L415 VanDerWaalsContact C-N 3.34Å; T413-L415 PolarHBondContact O-N 3.12Å; T413-A416 WeakPolarHBondContact O-CB 3.47Å; T413-A416 PolarHBondContact O-N 3.3Å; T413-A416 VanDerWaalsContact O-N 3.15Å; T413-D417 WeakPolarHBondContact CG2-OD2 3.5Å; T413-D417 PolarHBondContact O-N 3.33Å; T413-C466 HydrophobicContact CG2-CB 4.45Å; T413-L467 PolarHBondContact N-O 2.9Å; T413-L467 WeakPolarHBondContact OG1-CA 3.13Å; T413-L467 PolarHBondContact OG1-N 3.39Å; T413-L467 PolarHBondContact OG1-O 3.49Å
414	A	91.6	Very high	88.6	Confident	34 Å²	34	54.5 Å²	54.5	28%	0.281	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-40.2	-179.1	0	0	0	0	0	111.9	W412 A416 D417 D418	W412-A414 VanDerWaalsContact C-N 3.31Å; W412-A414 HydrophobicContact CD2-CB 4.01Å; W412-A414 HydrophobicContact CE3-CB 4.31Å; W412-A414 HydrophobicContact CH2-CB 3.79Å; W412-A414 HydrophobicContact CZ2-CB 3.48Å; W412-A414 VanDerWaalsContact CZ2-CB 3.48Å; W412-A414 HydrophobicContact CZ3-CB 4.19Å; W412-A414 PolarHBondContact O-N 2.67Å; A414-A416 VanDerWaalsContact C-N 3.35Å; A414-A416 PolarHBondContact O-N 2.9Å; A414-D417 PolarHBondContact O-N 3.14Å; A414-D418 WeakPolarHBondContact O-CB 3.47Å; A414-D418 VanDerWaalsContact O-CG 3.24Å; A414-D418 PolarHBondContact O-N 2.95Å
415	L	93.1	Very high	88.5	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-62.4	-42.1	173.7	173.6	64.8	0	0	0	111.9	I388 L396 I398 I411 W412 T413 D417 D418 L419 D504	I388-L415 HydrophobicContact CD1-CD2 4.34Å; L396-L415 HydrophobicContact CD1-CD1 3.96Å; I398-L415 HydrophobicContact CG2-CD1 4.28Å; I398-L415 HydrophobicContact CG2-CD2 3.83Å; I411-L415 HydrophobicContact CD1-CD2 4.23Å; I411-L415 HydrophobicContact CD1-CG 4.4Å; I411-L415 HydrophobicContact CG1-CD2 4.24Å; W412-L415 HydrophobicContact CB-CB 4.28Å; W412-L415 HydrophobicContact CD2-CB 4.47Å; W412-L415 HydrophobicContact CE3-CB 3.83Å; W412-L415 WeakPolarHBondContact O-CB 3.38Å; W412-L415 PolarHBondContact O-N 3.5Å; W412-L415 VanDerWaalsContact O-N 3.14Å; T413-L415 VanDerWaalsContact C-N 3.34Å; T413-L415 PolarHBondContact O-N 3.12Å; L415-D417 VanDerWaalsContact C-N 3.29Å; L415-D417 PolarHBondContact O-N 2.99Å; L415-D418 PolarHBondContact O-N 2.93Å; L415-L419 HydrophobicContact CD1-CD1 3.92Å; L415-L419 HydrophobicContact CD1-CG 4.15Å; L415-L419 HydrophobicContact CG-CD1 4.08Å; L415-L419 WeakPolarHBondContact O-CB 3.33Å; L415-L419 WeakPolarHBondContact O-CG 3.28Å; L415-L419 PolarHBondContact O-N 3.26Å; L415-D504 HydrophobicContact CD2-CB 3.69Å
416	A	92.9	Very high	88.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-37.9	177	0	0	0	0	0	111.8	I411 W412 T413 A414 G420 L421 V446	I411-A416 HydrophobicContact CD1-CB 4.17Å; I411-A416 HydrophobicContact CG1-CB 4.35Å; I411-A416 HydrophobicContact CG2-CB 4.22Å; W412-A416 PolarHBondContact O-N 3.3Å; T413-A416 WeakPolarHBondContact O-CB 3.47Å; T413-A416 PolarHBondContact O-N 3.3Å; T413-A416 VanDerWaalsContact O-N 3.15Å; A414-A416 VanDerWaalsContact C-N 3.35Å; A414-A416 PolarHBondContact O-N 2.9Å; A416-G420 PolarHBondContact O-N 2.69Å; A416-L421 HydrophobicContact CB-CB 4.45Å; A416-L421 HydrophobicContact CB-CD1 4.24Å; A416-L421 WeakPolarHBondContact O-CB 3.45Å; A416-L421 PolarHBondContact O-N 2.73Å; A416-V446 HydrophobicContact CB-CG2 4.26Å
417	D	91.1	Very high	87.9	Confident	83 Å²	83	58.4 Å²	58.4	44%	0.444	31%	0.308	S	S	.	.	H	α-helix	trans	-69.9	-43.3	175.8	-70.9	-31.3	0	0	0	112.4	T413 A414 L415 L419 G420 R444	T413-D417 WeakPolarHBondContact CG2-OD2 3.5Å; T413-D417 PolarHBondContact O-N 3.33Å; A414-D417 PolarHBondContact O-N 3.14Å; L415-D417 VanDerWaalsContact C-N 3.29Å; L415-D417 PolarHBondContact O-N 2.99Å; D417-L419 VanDerWaalsContact C-N 3.28Å; D417-L419 PolarHBondContact O-N 3.37Å; D417-G420 WeakPolarHBondContact O-CA 3.16Å; D417-G420 PolarHBondContact O-N 3.27Å; D417-R444 IonicContact OD1-CZ 3.05Å; D417-R444 VanDerWaalsContact OD1-CZ 3.28Å; D417-R444 IonicContact OD1-NH1 3.02Å; D417-R444 PolarHBondContact OD1-NH1 2.94Å; D417-R444 IonicContact OD1-NH2 3.95Å; D417-R444 PolarHBondContact OD1-NH2 3.42Å; D417-R444 IonicContact OD2-NH2 2.8Å
418	D	88.8	Confident	87.4	Confident	126 Å²	126	54.3 Å²	54.3	67%	0.674	29%	0.29	S	S	*	.	H	α-helix	trans	-62.7	-35.4	176.3	-72.7	-15.3	0	0	0	112	A414 L415 G420	A414-D418 WeakPolarHBondContact O-CB 3.47Å; A414-D418 VanDerWaalsContact O-CG 3.24Å; A414-D418 PolarHBondContact O-N 2.95Å; L415-D418 PolarHBondContact O-N 2.93Å; D418-G420 PolarHBondContact O-N 3.03Å
419	L	89.5	Confident	86.4	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.9	172.1	-73.6	173.1	0	0	0	113.3	I388 N392 L396 L415 D417 L421	I388-L419 HydrophobicContact CB-CD1 4.48Å; I388-L419 HydrophobicContact CD1-CD1 3.59Å; I388-L419 HydrophobicContact CG1-CD1 3.8Å; I388-L419 HydrophobicContact CG2-CD1 3.86Å; N392-L419 PolarHBondContact ND2-O 3.18Å; L396-L419 HydrophobicContact CD1-CD2 3.86Å; L396-L419 HydrophobicContact CD1-CG 4.26Å; L396-L419 HydrophobicContact CG-CD2 4.5Å; L415-L419 HydrophobicContact CD1-CD1 3.92Å; L415-L419 HydrophobicContact CD1-CG 4.15Å; L415-L419 HydrophobicContact CG-CD1 4.08Å; L415-L419 WeakPolarHBondContact O-CB 3.33Å; L415-L419 WeakPolarHBondContact O-CG 3.28Å; L415-L419 PolarHBondContact O-N 3.26Å; D417-L419 VanDerWaalsContact C-N 3.28Å; D417-L419 PolarHBondContact O-N 3.37Å; L419-L421 VanDerWaalsContact C-N 3.27Å; L419-L421 HydrophobicContact CB-CD1 4.26Å; L419-L421 HydrophobicContact CB-CD2 4.15Å; L419-L421 HydrophobicContact CB-CG 3.76Å; L419-L421 HydrophobicContact CD1-CD1 4.28Å; L419-L421 PolarHBondContact O-N 3.32Å
420	G	88.8	Confident	85.3	Confident	46 Å²	46	53.9 Å²	53.9	47%	0.474	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	25.6	-178.9	0	0	0	0	0	114	A416 D417 D418 R422	A416-G420 PolarHBondContact O-N 2.69Å; D417-G420 WeakPolarHBondContact O-CA 3.16Å; D417-G420 PolarHBondContact O-N 3.27Å; D418-G420 PolarHBondContact O-N 3.03Å; G420-R422 PolarHBondContact O-N 3.28Å
421	L	90.3	Very high	84	Confident	9 Å²	9	56.1 Å²	56.1	5%	0.047	30%	0.296	C	S	.	.			trans	-72.1	127.1	-176.8	-55.2	180	0	0	0	110.6	I411 A416 L419 R444 V446 F448	I411-L421 HydrophobicContact CD1-CD1 4.08Å; A416-L421 HydrophobicContact CB-CB 4.45Å; A416-L421 HydrophobicContact CB-CD1 4.24Å; A416-L421 WeakPolarHBondContact O-CB 3.45Å; A416-L421 PolarHBondContact O-N 2.73Å; L419-L421 VanDerWaalsContact C-N 3.27Å; L419-L421 HydrophobicContact CB-CD1 4.26Å; L419-L421 HydrophobicContact CB-CD2 4.15Å; L419-L421 HydrophobicContact CB-CG 3.76Å; L419-L421 HydrophobicContact CD1-CD1 4.28Å; L419-L421 PolarHBondContact O-N 3.32Å; L421-R444 PolarHBondContact O-NH1 3.35Å; L421-V446 HydrophobicContact CB-CB 3.87Å; L421-V446 HydrophobicContact CB-CG1 3.92Å; L421-V446 HydrophobicContact CB-CG2 4.38Å; L421-V446 HydrophobicContact CD1-CB 4.31Å; L421-V446 HydrophobicContact CD1-CG2 4.04Å; L421-F448 HydrophobicContact CD1-CB 3.89Å; L421-F448 HydrophobicContact CD1-CD1 3.91Å; L421-F448 HydrophobicContact CD1-CG 4.24Å; L421-F448 HydrophobicContact CD2-CB 4.38Å
422	R	87.7	Confident	82.5	Confident	227 Å²	227	57.9 Å²	57.9	86%	0.857	31%	0.307	S	S	*	.			trans	-111.4	154.4	177.2	-62	-172.4	179.9	-159.7	0.7	110.3	G420	G420-R422 PolarHBondContact O-N 3.28Å
423	G	85.2	Confident	81	Confident	44 Å²	44	59.5 Å²	59.5	45%	0.454	32%	0.316	S	S	.	.			trans	177	-171.4	172.2	0	0	0	0	0	112.7	R445	G423-R445 CarbonylContact C-O 3.31Å; G423-R445 WeakPolarHBondContact CA-O 3.48Å
424	T	82.5	Confident	79.2	Confident	100 Å²	100	61.4 Å²	61.4	61%	0.613	34%	0.342	S	S	*	.			trans	-77.4	143.4	-171.1	48.2	0	0	0	0	111.5	R444 R445	T424-R444 CarbonylContact O-C 3.41Å; T424-R444 WeakPolarHBondContact O-CA 3.28Å; T424-R445 PolarHBondContact N-O 3.49Å; T424-R445 PolarHBondContact O-N 3.24Å
425	T	83.1	Confident	77.7	Confident	86 Å²	86	62 Å²	62	53%	0.528	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.1	173.2	-52.8	0	0	0	0	110.1	K442 T443	T425-K442 HydrophobicContact CG2-CD 3.97Å; T425-K442 HydrophobicContact CG2-CG 3.42Å; T425-K442 VanDerWaalsContact CG2-CG 3.42Å; T425-T443 CarbonylContact C-O 3.39Å; T425-T443 WeakPolarHBondContact CA-O 3.45Å
426	E	77	Confident	75.9	Confident	58 Å²	58	71 Å²	71	27%	0.271	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	159	180	56.9	-173.9	166.6	0	0	111.2	V428 K442 T443 R445 L465	E426-V428 HydrophobicContact CG-CG1 4.01Å; E426-K442 CarbonylContact O-C 3.57Å; E426-K442 WeakPolarHBondContact O-CA 3.4Å; E426-T443 HydrophobicContact CG-CG2 4.19Å; E426-T443 PolarHBondContact N-O 3.43Å; E426-T443 PolarHBondContact O-N 2.91Å; E426-R445 IonicContact OE1-CZ 3.17Å; E426-R445 IonicContact OE1-NE 3.61Å; E426-R445 PolarHBondContact OE1-NE 3.38Å; E426-R445 IonicContact OE1-NH2 2.68Å; E426-R445 PolarHBondContact OE1-NH2 3.33Å; E426-R445 IonicContact OE2-NE 3.99Å; E426-R445 IonicContact OE2-NH2 2.74Å; E426-R445 PolarHBondContact OE2-NH2 3.14Å; E426-L465 HydrophobicContact CG-CD2 4.09Å; E426-L465 WeakPolarHBondContact OE1-CD2 3.38Å
427	R	69.1	Low	74.1	Confident	164 Å²	164	76.4 Å²	76.4	62%	0.619	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.5	172	-68.5	-173.2	-161.7	178.7	3.3	108.5	M440 E441 D563	R427-M440 HydrophobicContact CB-CE 4.27Å; R427-E441 CarbonylContact C-O 3.51Å; R427-E441 VanDerWaalsContact CA-O 3.29Å; R427-E441 WeakPolarHBondContact CA-O 3.4Å; R427-D563 IonicContact NH1-OD2 3.85Å
428	V	68.6	Low	72.8	Confident	9 Å²	9	74.8 Å²	74.8	6%	0.055	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.5	-178.6	-58.4	0	0	0	0	109.7	E426 I430 E441 T443 L465 L558	E426-V428 HydrophobicContact CG-CG1 4.01Å; V428-I430 HydrophobicContact CG2-CD1 4.31Å; V428-I430 HydrophobicContact CG2-CG1 4Å; V428-E441 HydrophobicContact CG2-CB 4.1Å; V428-E441 PolarHBondContact N-O 3.38Å; V428-E441 PolarHBondContact O-N 3.22Å; V428-T443 HydrophobicContact CB-CG2 4.21Å; V428-T443 HydrophobicContact CG1-CG2 3.69Å; V428-T443 HydrophobicContact CG2-CG2 3.46Å; V428-T443 VanDerWaalsContact CG2-CG2 3.46Å; V428-L465 HydrophobicContact CG1-CD1 3.95Å; V428-L465 HydrophobicContact CG1-CD2 4.44Å; V428-L465 HydrophobicContact CG2-CD1 4.43Å; V428-L558 HydrophobicContact CB-CD1 4.41Å; V428-L558 HydrophobicContact CB-CD2 3.82Å; V428-L558 HydrophobicContact CG1-CD1 4.35Å; V428-L558 HydrophobicContact CG2-CD2 4.27Å
429	A	65.4	Low	71.7	Confident	2 Å²	2	72.6 Å²	72.6	2%	0.017	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.3	170.9	0	0	0	0	0	108.6	C438 R439 M440 L558	A429-C438 HydrophobicContact CB-CB 4.41Å; A429-R439 CarbonylContact C-O 3.28Å; A429-R439 WeakPolarHBondContact CA-O 3.5Å; A429-M440 HydrophobicContact CB-SD 3.59Å; A429-M440 VanDerWaalsContact CB-SD 3.59Å; A429-L558 WeakPolarHBondContact O-CA 3.35Å; A429-L558 WeakPolarHBondContact O-CD2 3.31Å
430	I	70.9	Confident	70.7	Confident	17 Å²	17	76.7 Å²	76.7	9%	0.087	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114.1	177.6	-56.7	-179.1	0	0	0	108.1	V428 R439 E441 L467 V556 L558	V428-I430 HydrophobicContact CG2-CD1 4.31Å; V428-I430 HydrophobicContact CG2-CG1 4Å; I430-R439 PolarHBondContact N-O 3.37Å; I430-R439 PolarHBondContact O-N 3.42Å; I430-E441 HydrophobicContact CD1-CB 4.02Å; I430-E441 HydrophobicContact CD1-CG 3.72Å; I430-E441 HydrophobicContact CG1-CG 4.41Å; I430-L467 HydrophobicContact CD1-CD1 4.13Å; I430-L467 HydrophobicContact CD1-CD2 3.84Å; I430-V556 HydrophobicContact CG2-CG1 3.93Å; I430-V556 HydrophobicContact CG2-CG2 4.41Å; I430-L558 HydrophobicContact CG1-CD2 4.37Å
431	H	65.9	Low	69.8	Low	53 Å²	53	76.2 Å²	76.2	25%	0.245	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-97.9	129.3	172.2	-64.6	-103.9	0	0	0	110	C438 V556 T557	H431-C438 WeakPolarHBondContact CE1-CB 3.19Å; H431-C438 WeakPolarHBondContact NE2-CB 3.29Å; H431-V556 WeakPolarHBondContact O-CA 3.25Å; H431-T557 PolarHBondContact CD2-O 3.01Å; H431-T557 VanDerWaalsContact CD2-O 3.23Å; H431-T557 PolarHBondContact N-O 2.77Å
432	T	64.3	Low	69.3	Low	37 Å²	37	83.5 Å²	83.5	23%	0.227	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-101.2	153.5	174.1	53.7	0	0	0	0	111.1	G434 S435	T432-G434 PolarHBondContact O-N 3.13Å; T432-S435 PolarHBondContact O-N 3.41Å; T432-S435 VanDerWaalsContact O-N 3.14Å; T432-S435 VanDerWaalsContact OG1-CB 3.27Å; T432-S435 WeakPolarHBondContact OG1-CB 3.18Å
433	F	62.7	Low	69.1	Low	111 Å²	111	73 Å²	73	49%	0.487	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	125.1	175.7	-176.6	-92.3	0	0	0	110.6	L371 V553 Q555	L371-F433 HydrophobicContact CD1-CD1 4.24Å; L371-F433 HydrophobicContact CD1-CE1 4.28Å; F433-V553 HydrophobicContact CB-CG1 4.05Å; F433-V553 HydrophobicContact CD1-CG1 4.19Å; F433-V553 HydrophobicContact CD2-CG1 4.2Å; F433-V553 HydrophobicContact CG-CG1 3.88Å; F433-Q555 HydrophobicContact CB-CB 4.04Å; F433-Q555 VanDerWaalsContact CD2-OE1 3.31Å
434	G	55.6	Low	69.4	Low	73 Å²	73	73.4 Å²	73.4	75%	0.753	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-2.5	178.8	0	0	0	0	0	116.1	T432	T432-G434 PolarHBondContact O-N 3.13Å
435	S	58.2	Low	69.8	Low	48 Å²	48	72.5 Å²	72.5	34%	0.336	37%	0.367	S	S	.	.			trans	-96.9	126.9	175.3	-176.4	0	0	0	0	111.7	T432 V437	T432-S435 PolarHBondContact O-N 3.41Å; T432-S435 VanDerWaalsContact O-N 3.14Å; T432-S435 VanDerWaalsContact OG1-CB 3.27Å; T432-S435 WeakPolarHBondContact OG1-CB 3.18Å; S435-V437 VanDerWaalsContact C-N 3.28Å; S435-V437 PolarHBondContact OG-N 2.71Å; S435-V437 VanDerWaalsContact OG-N 3.08Å; S435-V437 PolarHBondContact OG-O 3.49Å
436	H	55.7	Low	70.3	Confident	196 Å²	196	68.5 Å²	68.5	91%	0.907	34%	0.342	S	S	*	.	S	Bend	trans	-79.7	-14.9	166	-67.4	-69.4	0	0	0	112.6
437	V	56.1	Low	71.1	Confident	114 Å²	114	72.9 Å²	72.9	69%	0.691	36%	0.356	S	S	*	.	S	Bend	trans	-92.5	117.2	178.7	-174.7	0	0	0	0	108.3	S435	S435-V437 VanDerWaalsContact C-N 3.28Å; S435-V437 PolarHBondContact OG-N 2.71Å; S435-V437 VanDerWaalsContact OG-N 3.08Å; S435-V437 PolarHBondContact OG-O 3.49Å
438	C	62.4	Low	72.3	Confident	49 Å²	49	65.1 Å²	65.1	33%	0.331	33%	0.327	S	S	.	.			trans	-78.9	148.5	169.4	83.9	0	0	0	0	109.7	A429 H431	A429-C438 HydrophobicContact CB-CB 4.41Å; H431-C438 WeakPolarHBondContact CE1-CB 3.19Å; H431-C438 WeakPolarHBondContact NE2-CB 3.29Å
439	R	67.3	Low	73.6	Confident	79 Å²	79	64.7 Å²	64.7	30%	0.298	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.5	173.8	-176.5	176.4	169.1	-173.9	-20.1	110.7	R365 A429 I430 E441	R365-R439 VanDerWaalsContact C-CZ 3.47Å; R365-R439 VanDerWaalsContact CA-NH1 3.26Å; R365-R439 VanDerWaalsContact O-CZ 3.3Å; R365-R439 PolarHBondContact O-NH1 2.9Å; R365-R439 PolarHBondContact O-NH2 3.07Å; A429-R439 CarbonylContact C-O 3.28Å; A429-R439 WeakPolarHBondContact CA-O 3.5Å; I430-R439 PolarHBondContact N-O 3.37Å; I430-R439 PolarHBondContact O-N 3.42Å; R439-E441 HydrophobicContact CG-CG 4.21Å; R439-E441 VanDerWaalsContact CZ-CD 3.47Å; R439-E441 IonicContact CZ-OE1 3.35Å; R439-E441 IonicContact CZ-OE2 3.63Å; R439-E441 VanDerWaalsContact NE-CD 3.28Å; R439-E441 IonicContact NE-OE1 2.63Å; R439-E441 PolarHBondContact NE-OE1 2.94Å; R439-E441 IonicContact NH2-OE1 2.71Å; R439-E441 PolarHBondContact NH2-OE1 3.11Å; R439-E441 IonicContact NH2-OE2 3.25Å; R439-E441 PolarHBondContact NH2-OE2 3.25Å; R439-E441 PolarHBondContact O-N 3.24Å
440	M	66.8	Low	75	Confident	88 Å²	88	64.6 Å²	64.6	43%	0.433	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	112.1	173.6	-64.5	-60.2	-66.8	0	0	110.5	R427 A429	R427-M440 HydrophobicContact CB-CE 4.27Å; A429-M440 HydrophobicContact CB-SD 3.59Å; A429-M440 VanDerWaalsContact CB-SD 3.59Å
441	E	70.4	Confident	76	Confident	37 Å²	37	65.9 Å²	65.9	17%	0.173	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.7	176.5	-75.6	-57.4	108.7	0	0	111.8	R427 V428 I430 R439	R427-E441 CarbonylContact C-O 3.51Å; R427-E441 VanDerWaalsContact CA-O 3.29Å; R427-E441 WeakPolarHBondContact CA-O 3.4Å; V428-E441 HydrophobicContact CG2-CB 4.1Å; V428-E441 PolarHBondContact N-O 3.38Å; V428-E441 PolarHBondContact O-N 3.22Å; I430-E441 HydrophobicContact CD1-CB 4.02Å; I430-E441 HydrophobicContact CD1-CG 3.72Å; I430-E441 HydrophobicContact CG1-CG 4.41Å; R439-E441 HydrophobicContact CG-CG 4.21Å; R439-E441 VanDerWaalsContact CZ-CD 3.47Å; R439-E441 IonicContact CZ-OE1 3.35Å; R439-E441 IonicContact CZ-OE2 3.63Å; R439-E441 VanDerWaalsContact NE-CD 3.28Å; R439-E441 IonicContact NE-OE1 2.63Å; R439-E441 PolarHBondContact NE-OE1 2.94Å; R439-E441 IonicContact NH2-OE1 2.71Å; R439-E441 PolarHBondContact NH2-OE1 3.11Å; R439-E441 IonicContact NH2-OE2 3.25Å; R439-E441 PolarHBondContact NH2-OE2 3.25Å; R439-E441 PolarHBondContact O-N 3.24Å
442	K	79.5	Confident	77.2	Confident	161 Å²	161	64 Å²	64	70%	0.7	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	108.4	168.2	-172.5	179.4	-179.2	-174.7	0	107.9	T425 E426	T425-K442 HydrophobicContact CG2-CD 3.97Å; T425-K442 HydrophobicContact CG2-CG 3.42Å; T425-K442 VanDerWaalsContact CG2-CG 3.42Å; E426-K442 CarbonylContact O-C 3.57Å; E426-K442 WeakPolarHBondContact O-CA 3.4Å
443	T	84.1	Confident	78.4	Confident	6 Å²	6	65.5 Å²	65.5	4%	0.037	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	152.9	-173.5	177	0	0	0	0	110.9	T425 E426 V428 L465 C466	T425-T443 CarbonylContact C-O 3.39Å; T425-T443 WeakPolarHBondContact CA-O 3.45Å; E426-T443 HydrophobicContact CG-CG2 4.19Å; E426-T443 PolarHBondContact N-O 3.43Å; E426-T443 PolarHBondContact O-N 2.91Å; V428-T443 HydrophobicContact CB-CG2 4.21Å; V428-T443 HydrophobicContact CG1-CG2 3.69Å; V428-T443 HydrophobicContact CG2-CG2 3.46Å; V428-T443 VanDerWaalsContact CG2-CG2 3.46Å; T443-L465 HydrophobicContact CG2-CB 4.33Å; T443-L465 HydrophobicContact CG2-CD1 4.28Å; T443-L465 HydrophobicContact CG2-CD2 3.44Å; T443-L465 VanDerWaalsContact CG2-CD2 3.44Å; T443-L465 HydrophobicContact CG2-CG 4.22Å; T443-C466 PolarHBondContact OG1-N 3.3Å; T443-C466 PolarHBondContact OG1-O 2.88Å
444	R	90.9	Very high	79.1	Confident	54 Å²	54	62.7 Å²	62.7	20%	0.204	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.9	173.8	-179.9	-174.8	53.8	-167.5	-24.4	108.3	D417 L421 T424 V446 C466	D417-R444 IonicContact OD1-CZ 3.05Å; D417-R444 VanDerWaalsContact OD1-CZ 3.28Å; D417-R444 IonicContact OD1-NH1 3.02Å; D417-R444 PolarHBondContact OD1-NH1 2.94Å; D417-R444 IonicContact OD1-NH2 3.95Å; D417-R444 PolarHBondContact OD1-NH2 3.42Å; D417-R444 IonicContact OD2-NH2 2.8Å; L421-R444 PolarHBondContact O-NH1 3.35Å; T424-R444 CarbonylContact O-C 3.41Å; T424-R444 WeakPolarHBondContact O-CA 3.28Å; R444-V446 HydrophobicContact CG-CG1 3.84Å; R444-C466 HydrophobicContact CB-CB 4.39Å; R444-C466 WeakPolarHBondContact O-CB 3.2Å; R444-C466 PolarHBondContact O-N 2.82Å; R444-C466 PolarHBondContact O-SG 3.21Å; R444-C466 VanDerWaalsContact O-SG 3.32Å
445	R	91.8	Very high	79.3	Confident	81 Å²	81	71.6 Å²	71.6	31%	0.306	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	130	166.5	-172.1	172.6	-63.5	-140.9	0.3	109.1	G423 T424 E426 E463 A464 L465	G423-R445 CarbonylContact C-O 3.31Å; G423-R445 WeakPolarHBondContact CA-O 3.48Å; T424-R445 PolarHBondContact N-O 3.49Å; T424-R445 PolarHBondContact O-N 3.24Å; E426-R445 IonicContact OE1-CZ 3.17Å; E426-R445 IonicContact OE1-NE 3.61Å; E426-R445 PolarHBondContact OE1-NE 3.38Å; E426-R445 IonicContact OE1-NH2 2.68Å; E426-R445 PolarHBondContact OE1-NH2 3.33Å; E426-R445 IonicContact OE2-NE 3.99Å; E426-R445 IonicContact OE2-NH2 2.74Å; E426-R445 PolarHBondContact OE2-NH2 3.14Å; R445-E463 WeakPolarHBondContact CD-OE2 3.24Å; R445-E463 HydrophobicContact CG-CB 4.25Å; R445-E463 IonicContact NH1-OE2 3.45Å; R445-A464 WeakPolarHBondContact CA-O 3.45Å; R445-L465 HydrophobicContact CB-CD2 4.13Å
446	V	94.1	Very high	79.5	Confident	2 Å²	2	78.2 Å²	78.2	1%	0.012	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153	178.9	-65	0	0	0	0	111	I411 A416 L421 R444 F448 E463 A464	I411-V446 HydrophobicContact CG2-CG2 3.54Å; A416-V446 HydrophobicContact CB-CG2 4.26Å; L421-V446 HydrophobicContact CB-CB 3.87Å; L421-V446 HydrophobicContact CB-CG1 3.92Å; L421-V446 HydrophobicContact CB-CG2 4.38Å; L421-V446 HydrophobicContact CD1-CB 4.31Å; L421-V446 HydrophobicContact CD1-CG2 4.04Å; R444-V446 HydrophobicContact CG-CG1 3.84Å; V446-F448 HydrophobicContact CG2-CD1 4.2Å; V446-F448 HydrophobicContact CG2-CE1 4.32Å; V446-E463 CarbonylContact O-C 3.59Å; V446-E463 VanDerWaalsContact O-CA 3.28Å; V446-E463 WeakPolarHBondContact O-CA 3.46Å; V446-A464 PolarHBondContact N-O 3.34Å; V446-A464 PolarHBondContact O-N 3.49Å
447	R	94.1	Very high	80	Confident	150 Å²	150	71.1 Å²	71.1	57%	0.566	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.6	178.8	-169.7	174.5	-179.8	-178.2	1.4	110.8	W461 M462 E463	R447-W461 HydrophobicContact CG-CE3 4.2Å; R447-M462 WeakPolarHBondContact CA-O 3.29Å; R447-E463 HydrophobicContact CB-CG 4.1Å; R447-E463 HydrophobicContact CG-CG 4.03Å
448	F	94.5	Very high	81	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	178.3	178.3	56.6	-89.5	0	0	0	110.3	I388 I411 L421 V446 L450 M462 A464 V505	I388-F448 HydrophobicContact CD1-CB 4.29Å; I388-F448 HydrophobicContact CD1-CD2 3.49Å; I388-F448 VanDerWaalsContact CD1-CD2 3.49Å; I388-F448 HydrophobicContact CD1-CE2 3.89Å; I388-F448 HydrophobicContact CD1-CG 3.86Å; I388-F448 HydrophobicContact CG1-CB 4.27Å; I388-F448 HydrophobicContact CG1-CD2 3.78Å; I388-F448 HydrophobicContact CG1-CG 4.24Å; I411-F448 HydrophobicContact CB-CE1 4.06Å; I411-F448 HydrophobicContact CB-CZ 4.32Å; I411-F448 HydrophobicContact CD1-CD1 3.89Å; I411-F448 HydrophobicContact CD1-CE1 3.63Å; I411-F448 HydrophobicContact CD1-CG 4.49Å; I411-F448 HydrophobicContact CD1-CZ 4.02Å; I411-F448 HydrophobicContact CG1-CE1 4.41Å; I411-F448 HydrophobicContact CG2-CE1 4.22Å; L421-F448 HydrophobicContact CD1-CB 3.89Å; L421-F448 HydrophobicContact CD1-CD1 3.91Å; L421-F448 HydrophobicContact CD1-CG 4.24Å; L421-F448 HydrophobicContact CD2-CB 4.38Å; V446-F448 HydrophobicContact CG2-CD1 4.2Å; V446-F448 HydrophobicContact CG2-CE1 4.32Å; F448-L450 HydrophobicContact CD2-CD2 4.02Å; F448-L450 HydrophobicContact CD2-CG 4.25Å; F448-L450 HydrophobicContact CE2-CD1 4.36Å; F448-L450 HydrophobicContact CE2-CD2 3.89Å; F448-L450 HydrophobicContact CE2-CG 4Å; F448-M462 HydrophobicContact CD2-CG 4.09Å; F448-M462 HydrophobicContact CE2-CG 3.61Å; F448-M462 HydrophobicContact CE2-SD 3.69Å; F448-M462 HydrophobicContact CZ-CE 4.41Å; F448-M462 HydrophobicContact CZ-CG 3.88Å; F448-M462 HydrophobicContact CZ-SD 3.97Å; F448-M462 PolarHBondContact N-O 3.34Å; F448-M462 PolarHBondContact O-N 2.92Å; F448-M462 VanDerWaalsContact O-O 3.07Å; F448-A464 HydrophobicContact CE1-CB 3.66Å; F448-A464 HydrophobicContact CZ-CB 3.88Å; F448-V505 HydrophobicContact CE2-CG1 4.28Å; F448-V505 HydrophobicContact CE2-CG2 4.17Å; F448-V505 HydrophobicContact CZ-CG1 4.03Å; F448-V505 HydrophobicContact CZ-CG2 4.11Å
449	S	94.2	Very high	82.1	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.9	177.4	64	0	0	0	0	112.5	I388 S389 R459 Q460	I388-S449 CarbonylContact C-O 3.44Å; I388-S449 WeakPolarHBondContact CA-O 3.47Å; S389-S449 PolarHBondContact N-O 3.22Å; S389-S449 PolarHBondContact O-N 2.75Å; S389-S449 PolarHBondContact O-OG 3.41Å; S389-S449 VanDerWaalsContact O-OG 3.06Å; S449-R459 VanDerWaalsContact CB-CD 3.47Å; S449-R459 WeakPolarHBondContact OG-CD 3.35Å; S449-R459 WeakPolarHBondContact OG-CG 3.46Å; S449-R459 PolarHBondContact OG-NE 2.62Å; S449-Q460 CarbonylContact C-O 3.42Å; S449-Q460 WeakPolarHBondContact CA-O 3.37Å
450	L	94.9	Very high	83.3	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.8	175.2	-59.1	-178.4	0	0	0	109.7	A386 R387 I388 I398 F448 Q460 M462 I507 F515 F535	A386-L450 HydrophobicContact CB-CB 4.47Å; R387-L450 WeakPolarHBondContact O-CA 3.43Å; I388-L450 HydrophobicContact CB-CD2 3.84Å; I388-L450 HydrophobicContact CD1-CD2 4.27Å; I388-L450 HydrophobicContact CG1-CD2 3.95Å; I398-L450 HydrophobicContact CD1-CD2 3.81Å; F448-L450 HydrophobicContact CD2-CD2 4.02Å; F448-L450 HydrophobicContact CD2-CG 4.25Å; F448-L450 HydrophobicContact CE2-CD1 4.36Å; F448-L450 HydrophobicContact CE2-CD2 3.89Å; F448-L450 HydrophobicContact CE2-CG 4Å; L450-Q460 PolarHBondContact N-O 3.43Å; L450-Q460 PolarHBondContact O-N 3.12Å; L450-M462 HydrophobicContact CD1-SD 3.62Å; L450-M462 HydrophobicContact CG-SD 4.14Å; L450-I507 HydrophobicContact CD1-CD1 3.91Å; L450-F515 HydrophobicContact CB-CE1 4.23Å; L450-F515 HydrophobicContact CB-CZ 4.41Å; L450-F515 HydrophobicContact CD1-CE1 4.36Å; L450-F515 HydrophobicContact CD1-CZ 3.96Å; L450-F535 HydrophobicContact CB-CE1 4.25Å; L450-F535 HydrophobicContact CB-CZ 3.73Å; L450-F535 HydrophobicContact CD1-CZ 4.23Å
451	Q	92	Very high	84.5	Confident	44 Å²	44	74.2 Å²	74.2	21%	0.206	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.6	176.1	67.7	-172.1	-12.9	0	0	111.6	R387	R387-Q451 HydrophobicContact CB-CG 3.75Å; R387-Q451 VanDerWaalsContact CD-NE2 3.27Å; R387-Q451 HydrophobicContact CG-CG 4.34Å; R387-Q451 PolarHBondContact N-O 2.63Å; R387-Q451 PolarHBondContact O-N 3.46Å
452	P	91.5	Very high	85.6	Confident	14 Å²	14	72.5 Å²	72.5	9%	0.091	34%	0.343	C	S	.	.			trans	-62	156.5	175.9	-21.6	35.9	0	0	0	112.4	S534 F535	P452-S534 WeakPolarHBondContact CG-O 3.48Å; P452-F535 HydrophobicContact CB-CD1 4.31Å; P452-F535 HydrophobicContact CG-CD1 4.01Å
453	L	89.2	Confident	86.3	Confident	68 Å²	68	68.1 Å²	68.1	36%	0.356	33%	0.325	S	S	.	.	S	Bend	trans	-73	-29.3	178	-62.9	-176.6	0	0	0	113	R385 R387 V397	R385-L453 HydrophobicContact CB-CD1 3.74Å; R387-L453 HydrophobicContact CB-CD2 4.17Å; V397-L453 HydrophobicContact CB-CD2 4.33Å; V397-L453 HydrophobicContact CG1-CD1 4.21Å; V397-L453 HydrophobicContact CG1-CD2 3.77Å; V397-L453 HydrophobicContact CG2-CD2 3.69Å
454	G	77.6	Confident	86.8	Confident	52 Å²	52	68 Å²	68	54%	0.536	33%	0.325	S	S	.	.	S	Bend	trans	-69.4	160.5	175.4	0	0	0	0	0	113	Q456	G454-Q456 PolarHBondContact O-N 3.24Å
455	R	59.3	Low	86.9	Confident	260 Å²	260	65.6 Å²	65.6	98%	0.981	32%	0.316	S	S	*	.	S	Bend	trans	-72.5	-5.3	-178	-71	-174.2	176.7	-175.1	-0.5	114.4
456	Q	62.4	Low	86.9	Confident	186 Å²	186	62 Å²	62	87%	0.869	30%	0.303	S	S	*	.	S	Bend	trans	-119.3	111.1	177.5	-64.2	-160.8	-9.8	0	0	109.5	G454	G454-Q456 PolarHBondContact O-N 3.24Å
457	G	66.9	Low	86.7	Confident	47 Å²	47	62.4 Å²	62.4	49%	0.485	31%	0.305	S	S	.	.			trans	171.9	137.1	178.5	0	0	0	0	0	112.3
458	T	76.6	Confident	86.2	Confident	123 Å²	123	57.8 Å²	57.8	76%	0.755	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-76.8	140.5	174.9	44.4	0	0	0	0	110.8
459	R	87.2	Confident	85.5	Confident	105 Å²	105	62 Å²	62	40%	0.396	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-73.3	123.4	172.8	176.8	-178	-92.1	-170.7	-5.2	109.6	S389 S449	S389-R459 PolarHBondContact OG-NH2 3.41Å; S389-R459 VanDerWaalsContact OG-NH2 3.11Å; S449-R459 VanDerWaalsContact CB-CD 3.47Å; S449-R459 WeakPolarHBondContact OG-CD 3.35Å; S449-R459 WeakPolarHBondContact OG-CG 3.46Å; S449-R459 PolarHBondContact OG-NE 2.62Å
460	Q	91.1	Very high	85.1	Confident	68 Å²	68	62.4 Å²	62.4	32%	0.318	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.1	175.2	-175.6	59.2	40.3	0	0	110.1	S449 L450 F515	S449-Q460 CarbonylContact C-O 3.42Å; S449-Q460 WeakPolarHBondContact CA-O 3.37Å; L450-Q460 PolarHBondContact N-O 3.43Å; L450-Q460 PolarHBondContact O-N 3.12Å; Q460-F515 HydrophobicContact CB-CE1 3.64Å; Q460-F515 HydrophobicContact CB-CZ 4.03Å; Q460-F515 HydrophobicContact CG-CD1 4.46Å; Q460-F515 HydrophobicContact CG-CE1 3.68Å; Q460-F515 HydrophobicContact CG-CE2 4.42Å; Q460-F515 HydrophobicContact CG-CZ 3.65Å
461	W	91.9	Very high	84.3	Confident	100 Å²	100	63.6 Å²	63.6	38%	0.379	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	141.4	174.2	-73	93.1	0	0	0	111	R447	R447-W461 HydrophobicContact CG-CE3 4.2Å
462	M	94	Very high	83.5	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	164.7	176.4	66.5	-179.3	-61.1	0	0	112.3	S409 R447 F448 L450 I507 Y511 F515	S409-M462 VanDerWaalsContact CB-CE 3.4Å; S409-M462 WeakPolarHBondContact OG-CE 3.41Å; R447-M462 WeakPolarHBondContact CA-O 3.29Å; F448-M462 HydrophobicContact CD2-CG 4.09Å; F448-M462 HydrophobicContact CE2-CG 3.61Å; F448-M462 HydrophobicContact CE2-SD 3.69Å; F448-M462 HydrophobicContact CZ-CE 4.41Å; F448-M462 HydrophobicContact CZ-CG 3.88Å; F448-M462 HydrophobicContact CZ-SD 3.97Å; F448-M462 PolarHBondContact N-O 3.34Å; F448-M462 PolarHBondContact O-N 2.92Å; F448-M462 VanDerWaalsContact O-O 3.07Å; L450-M462 HydrophobicContact CD1-SD 3.62Å; L450-M462 HydrophobicContact CG-SD 4.14Å; M462-I507 HydrophobicContact CE-CG1 4.3Å; M462-Y511 HydrophobicContact CB-CD1 3.59Å; M462-Y511 HydrophobicContact CB-CD2 4.05Å; M462-Y511 HydrophobicContact CB-CE1 3.48Å; M462-Y511 VanDerWaalsContact CB-CE1 3.48Å; M462-Y511 HydrophobicContact CB-CE2 3.97Å; M462-Y511 HydrophobicContact CB-CG 3.88Å; M462-Y511 HydrophobicContact CE-CD2 3.8Å; M462-Y511 HydrophobicContact CE-CE2 4.47Å; M462-Y511 HydrophobicContact CE-CG 3.98Å; M462-F515 HydrophobicContact SD-CE2 4.28Å; M462-F515 HydrophobicContact SD-CZ 4.12Å
463	E	94.3	Very high	83.2	Confident	69 Å²	69	67.5 Å²	67.5	32%	0.322	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143	171.3	-63.4	-174.5	167.1	0	0	109.7	R445 V446 R447 Y511	R445-E463 WeakPolarHBondContact CD-OE2 3.24Å; R445-E463 HydrophobicContact CG-CB 4.25Å; R445-E463 IonicContact NH1-OE2 3.45Å; V446-E463 CarbonylContact O-C 3.59Å; V446-E463 VanDerWaalsContact O-CA 3.28Å; V446-E463 WeakPolarHBondContact O-CA 3.46Å; R447-E463 HydrophobicContact CB-CG 4.1Å; R447-E463 HydrophobicContact CG-CG 4.03Å; E463-Y511 PolarHBondContact N-OH 3.46Å; E463-Y511 VanDerWaalsContact N-OH 3.1Å; E463-Y511 VanDerWaalsContact O-CE2 3.3Å; E463-Y511 WeakPolarHBondContact O-CE2 3.42Å
464	A	94.2	Very high	83	Confident	4 Å²	4	64.5 Å²	64.5	3%	0.033	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	155.9	176.8	0	0	0	0	0	111.5	S409 I411 R445 V446 F448	S409-A464 VanDerWaalsContact O-CA 3.31Å; S409-A464 WeakPolarHBondContact O-CA 3.41Å; S409-A464 WeakPolarHBondContact O-CB 3.4Å; I411-A464 HydrophobicContact CB-CB 4.19Å; I411-A464 HydrophobicContact CG2-CB 4.08Å; R445-A464 WeakPolarHBondContact CA-O 3.45Å; V446-A464 PolarHBondContact N-O 3.34Å; V446-A464 PolarHBondContact O-N 3.49Å; F448-A464 HydrophobicContact CE1-CB 3.66Å; F448-A464 HydrophobicContact CZ-CB 3.88Å
465	L	92.7	Very high	83.2	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.3	175.3	-71.9	174.3	0	0	0	111.2	S409 F410 I411 E426 V428 T443 R445 L467 L558	S409-L465 PolarHBondContact O-N 3.47Å; F410-L465 CarbonylContact C-O 3.51Å; F410-L465 VanDerWaalsContact CA-O 3.27Å; F410-L465 WeakPolarHBondContact CA-O 3.49Å; F410-L465 HydrophobicContact CD1-CB 3.57Å; F410-L465 HydrophobicContact CD1-CD1 4.43Å; F410-L465 HydrophobicContact CE1-CB 3.78Å; F410-L465 HydrophobicContact CE1-CD1 3.78Å; F410-L465 HydrophobicContact CE1-CG 4.4Å; F410-L465 HydrophobicContact CZ-CD1 4.38Å; I411-L465 PolarHBondContact N-O 2.96Å; E426-L465 HydrophobicContact CG-CD2 4.09Å; E426-L465 WeakPolarHBondContact OE1-CD2 3.38Å; V428-L465 HydrophobicContact CG1-CD1 3.95Å; V428-L465 HydrophobicContact CG1-CD2 4.44Å; V428-L465 HydrophobicContact CG2-CD1 4.43Å; T443-L465 HydrophobicContact CG2-CB 4.33Å; T443-L465 HydrophobicContact CG2-CD1 4.28Å; T443-L465 HydrophobicContact CG2-CD2 3.44Å; T443-L465 VanDerWaalsContact CG2-CD2 3.44Å; T443-L465 HydrophobicContact CG2-CG 4.22Å; R445-L465 HydrophobicContact CB-CD2 4.13Å; L465-L467 PolarHBondContact O-N 3.19Å; L465-L558 HydrophobicContact CD1-CD1 3.71Å
466	C	93	Very high	84.4	Confident	6 Å²	6	55.2 Å²	55.2	4%	0.041	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	122.7	175	-68	0	0	0	0	110.9	I411 T413 T443 R444	I411-C466 WeakPolarHBondContact O-CA 3.45Å; T413-C466 HydrophobicContact CG2-CB 4.45Å; T443-C466 PolarHBondContact OG1-N 3.3Å; T443-C466 PolarHBondContact OG1-O 2.88Å; R444-C466 HydrophobicContact CB-CB 4.39Å; R444-C466 WeakPolarHBondContact O-CB 3.2Å; R444-C466 PolarHBondContact O-N 2.82Å; R444-C466 PolarHBondContact O-SG 3.21Å; R444-C466 VanDerWaalsContact O-SG 3.32Å
467	L	89	Confident	85.5	Confident	9 Å²	9	47.1 Å²	47.1	5%	0.047	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.1	169.1	-72	178.6	0	0	0	111.1	F410 I411 W412 T413 I430 L465 H469 L470	F410-L467 HydrophobicContact CB-CD1 4.49Å; F410-L467 HydrophobicContact CD1-CD1 3.3Å; F410-L467 HydrophobicContact CD1-CG 3.73Å; F410-L467 HydrophobicContact CE1-CD1 3.63Å; F410-L467 HydrophobicContact CE1-CG 4.24Å; F410-L467 HydrophobicContact CG-CD1 3.98Å; I411-L467 PolarHBondContact O-N 3.38Å; W412-L467 WeakPolarHBondContact CA-O 3.33Å; T413-L467 PolarHBondContact N-O 2.9Å; T413-L467 WeakPolarHBondContact OG1-CA 3.13Å; T413-L467 PolarHBondContact OG1-N 3.39Å; T413-L467 PolarHBondContact OG1-O 3.49Å; I430-L467 HydrophobicContact CD1-CD1 4.13Å; I430-L467 HydrophobicContact CD1-CD2 3.84Å; L465-L467 PolarHBondContact O-N 3.19Å; L467-H469 PolarHBondContact O-N 3.19Å; L467-L470 HydrophobicContact CB-CD2 3.9Å
468	P	84.6	Confident	86.4	Confident	53 Å²	53	46.5 Å²	46.5	34%	0.344	24%	0.241	S	C	.	.	S	Bend	trans	-64.2	-27.3	-177.8	25	-33.3	0	0	0	112.5	W412	W412-P468 PolarHBondContact NE1-O 3.14Å
469	H	79.2	Confident	87	Confident	90 Å²	90	44.8 Å²	44.8	42%	0.417	23%	0.232	S	C	.	.			trans	-140.8	126.1	173.7	-60	-64.8	0	0	0	109.3	L467	L467-H469 PolarHBondContact O-N 3.19Å
470	L	84.8	Confident	87	Confident	7 Å²	7	41.8 Å²	41.8	4%	0.037	22%	0.223	C	C	.	.			trans	-86.5	-50.7	177.6	-61.7	-169.6	0	0	0	111.6	V368 F410 W412 L467 V503 D504 L506	V368-L470 WeakPolarHBondContact CG2-O 3.41Å; F410-L470 HydrophobicContact CB-CD2 3.53Å; W412-L470 HydrophobicContact CB-CD1 4.45Å; W412-L470 HydrophobicContact CB-CG 4.42Å; L467-L470 HydrophobicContact CB-CD2 3.9Å; L470-V503 HydrophobicContact CD1-CG1 4.15Å; L470-D504 WeakPolarHBondContact CD1-O 3.44Å; L470-L506 HydrophobicContact CD1-CB 4.3Å
471	C	79.6	Confident	86.8	Confident	27 Å²	27	40.6 Å²	40.6	18%	0.182	22%	0.222	C	C	.	.	S	Bend	trans	-160.1	174.2	176.8	59.9	0	0	0	0	110.7	V503 F554	C471-V503 WeakPolarHBondContact SG-CG2 3.46Å; C471-F554 HydrophobicContact CB-CE1 3.72Å
472	Q	75.4	Confident	86.5	Confident	87 Å²	87	41 Å²	41	41%	0.407	24%	0.241	S	C	.	.	S	Bend	trans	-63	149	168.9	-71.9	-73.4	-19.9	0	0	110.4	L370 L474	L370-Q472 HydrophobicContact CD1-CB 4.11Å; L370-Q472 HydrophobicContact CD1-CG 4.21Å; L370-Q472 HydrophobicContact CD2-CB 4.3Å; L370-Q472 HydrophobicContact CD2-CG 4.24Å; Q472-L474 PolarHBondContact O-N 3Å
473	P	83.5	Confident	86.2	Confident	52 Å²	52	44.6 Å²	44.6	34%	0.338	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-53	131.3	177.3	-25.1	33.2	0	0	0	112	K500 T501 I502	P473-K500 HydrophobicContact CB-CD 4.47Å; P473-K500 HydrophobicContact CB-CG 4.23Å; P473-T501 CarbonylContact C-O 3.59Å; P473-T501 VanDerWaalsContact CA-O 3.28Å; P473-T501 WeakPolarHBondContact CA-O 3.49Å; P473-I502 HydrophobicContact CB-CG2 4.43Å; P473-I502 HydrophobicContact CG-CG2 4.25Å
474	L	84.7	Confident	85.9	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.026	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-67.8	137.2	177.4	-55	-174.1	0	0	0	109.9	L381 T383 Q472 K500 T501 V503	L381-L474 HydrophobicContact CD1-CD2 3.84Å; T383-L474 HydrophobicContact CG2-CD1 3.42Å; T383-L474 VanDerWaalsContact CG2-CD1 3.42Å; Q472-L474 PolarHBondContact O-N 3Å; L474-K500 WeakPolarHBondContact O-CA 3.26Å; L474-K500 WeakPolarHBondContact O-CG 3.5Å; L474-T501 HydrophobicContact CB-CG2 4.43Å; L474-T501 PolarHBondContact N-O 2.91Å; L474-T501 PolarHBondContact O-N 3.29Å; L474-T501 VanDerWaalsContact O-N 3.1Å; L474-V503 HydrophobicContact CD1-CG2 3.56Å; L474-V503 HydrophobicContact CD2-CG2 4.03Å; L474-V503 HydrophobicContact CG-CG2 3.65Å
475	E	82.3	Confident	85.7	Confident	78 Å²	78	46.8 Å²	46.8	36%	0.364	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-61.5	165.7	175.6	-63.2	-62.1	162.7	0	0	112	K500	E475-K500 WeakPolarHBondContact OE1-CE 3.37Å; E475-K500 IonicContact OE1-NZ 2.83Å; E475-K500 PolarHBondContact OE1-NZ 3.22Å; E475-K500 WeakPolarHBondContact OE2-CE 3.29Å; E475-K500 IonicContact OE2-NZ 2.68Å; E475-K500 PolarHBondContact OE2-NZ 3.35Å
476	A	84.5	Confident	85.7	Confident	39 Å²	39	48 Å²	48	32%	0.322	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-65.4	138.2	-179	0	0	0	0	0	112.3	K378 R498	K378-A476 WeakPolarHBondContact CE-O 3.36Å; K378-A476 PolarHBondContact NZ-O 3.05Å; A476-R498 CarbonylContact C-O 3.59Å; A476-R498 WeakPolarHBondContact CA-O 3.22Å; A476-R498 WeakPolarHBondContact CB-O 3.25Å
477	N	87	Confident	85.7	Confident	16 Å²	16	48 Å²	48	9%	0.086	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-78.4	125.5	167.5	-69.4	-12.7	0	0	0	108.4	D494 Q495 F496 P497 R498	N477-D494 PolarHBondContact ND2-OD2 2.97Å; N477-Q495 WeakPolarHBondContact CB-O 3.47Å; N477-Q495 PolarHBondContact ND2-O 3.05Å; N477-F496 HydrophobicContact CB-CD1 3.61Å; N477-F496 HydrophobicContact CB-CE1 3.71Å; N477-F496 HydrophobicContact CB-CG 4.22Å; N477-F496 HydrophobicContact CB-CZ 4.4Å; N477-F496 WeakPolarHBondContact ND2-CZ 3.2Å; N477-P497 VanDerWaalsContact O-CA 3.24Å; N477-P497 WeakPolarHBondContact O-CA 3.27Å; N477-P497 WeakPolarHBondContact O-CB 3.39Å; N477-R498 HydrophobicContact CB-CB 4.06Å; N477-R498 PolarHBondContact N-O 3.38Å; N477-R498 PolarHBondContact O-N 2.95Å; N477-R498 PolarHBondContact OD1-NH2 2.88Å
478	P	85.9	Confident	85.7	Confident	34 Å²	34	51.1 Å²	51.1	22%	0.221	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-73.6	167.9	172.1	34.4	-27.5	0	0	0	110.7	F380	F380-P478 VanDerWaalsContact CE1-CD 3.46Å; F380-P478 HydrophobicContact CE1-CG 3.94Å; F380-P478 HydrophobicContact CZ-CG 3.87Å
479	P	87.5	Confident	85.9	Confident	87 Å²	87	56.6 Å²	56.6	57%	0.565	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-57.9	150.4	167.9	-20.1	32.3	0	0	0	111.5	S481 P497	P479-S481 PolarHBondContact O-N 3.13Å; P479-P497 HydrophobicContact CG-CB 4.18Å; P479-P497 HydrophobicContact CG-CG 4.32Å
480	I	88	Confident	86.4	Confident	42 Å²	42	53.5 Å²	53.5	22%	0.215	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-68	128.2	172.9	-59.3	-56.1	0	0	0	108.9	S482 W484 L487 L492 F496 L539	I480-S482 PolarHBondContact O-N 3.04Å; I480-W484 HydrophobicContact CG2-CE3 4Å; I480-L487 HydrophobicContact CG2-CB 4.16Å; I480-L492 HydrophobicContact CD1-CD1 3.88Å; I480-L492 HydrophobicContact CG1-CD1 3.87Å; I480-F496 HydrophobicContact CD1-CB 3.69Å; I480-F496 HydrophobicContact CD1-CD1 3.66Å; I480-F496 HydrophobicContact CD1-CD2 4.39Å; I480-F496 HydrophobicContact CD1-CE1 4.43Å; I480-F496 HydrophobicContact CD1-CG 3.66Å; I480-F496 HydrophobicContact CG1-CB 3.76Å; I480-F496 HydrophobicContact CG1-CG 4.27Å; I480-L539 HydrophobicContact CD1-CD1 3.44Å; I480-L539 VanDerWaalsContact CD1-CD1 3.44Å
481	S	86.9	Confident	86.8	Confident	43 Å²	43	58.7 Å²	58.7	30%	0.301	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-65.2	133.8	176	-174.6	0	0	0	0	110.5	P479 S483 W484 Q488	P479-S481 PolarHBondContact O-N 3.13Å; S481-S483 PolarHBondContact O-N 3.34Å; S481-S483 VanDerWaalsContact O-N 3.16Å; S481-S483 PolarHBondContact OG-N 2.91Å; S481-S483 PolarHBondContact OG-OG 3.15Å; S481-W484 PolarHBondContact O-N 2.95Å; S481-W484 VanDerWaalsContact O-N 3.1Å; S481-Q488 PolarHBondContact O-NE2 2.85Å
482	S	86	Confident	87.4	Confident	110 Å²	110	59.3 Å²	59.3	77%	0.769	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.5	171.2	53.1	0	0	0	0	112.7	I480 W484	I480-S482 PolarHBondContact O-N 3.04Å; S482-W484 VanDerWaalsContact C-N 3.3Å; S482-W484 PolarHBondContact O-N 2.91Å
483	S	86.5	Confident	88.3	Confident	76 Å²	76	55.5 Å²	55.5	53%	0.531	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.4	175.1	69.1	0	0	0	0	113.8	S481 S485	S481-S483 PolarHBondContact O-N 3.34Å; S481-S483 VanDerWaalsContact O-N 3.16Å; S481-S483 PolarHBondContact OG-N 2.91Å; S481-S483 PolarHBondContact OG-OG 3.15Å; S483-S485 PolarHBondContact O-N 2.86Å; S483-S485 VanDerWaalsContact O-N 3.13Å
484	W	89.3	Confident	88.8	Confident	20 Å²	20	53.5 Å²	53.5	8%	0.076	32%	0.321	C	S	.	.			trans	-87.1	80.1	-179.5	-58.7	-28.5	0	0	0	110.3	F380 I480 S481 S482 H486 L487 Q488 P528 A543	F380-W484 AromaticContact CE2-CH2 3.94Å; F380-W484 HydrophobicContact CE2-CH2 3.94Å; F380-W484 AromaticContact CE2-CZ3 4Å; F380-W484 HydrophobicContact CE2-CZ3 4Å; F380-W484 HydrophobicContact CZ-CH2 4.24Å; F380-W484 HydrophobicContact CZ-CZ3 4.33Å; I480-W484 HydrophobicContact CG2-CE3 4Å; S481-W484 PolarHBondContact O-N 2.95Å; S481-W484 VanDerWaalsContact O-N 3.1Å; S482-W484 VanDerWaalsContact C-N 3.3Å; S482-W484 PolarHBondContact O-N 2.91Å; W484-H486 VanDerWaalsContact C-N 3.26Å; W484-H486 PolarHBondContact O-N 2.84Å; W484-L487 HydrophobicContact CB-CB 4.14Å; W484-L487 HydrophobicContact CB-CD1 4.22Å; W484-L487 HydrophobicContact CB-CG 4.1Å; W484-L487 HydrophobicContact CD2-CD1 4.35Å; W484-L487 HydrophobicContact CE3-CD1 3.8Å; W484-L487 PolarHBondContact O-N 3.44Å; W484-L487 VanDerWaalsContact O-N 3.08Å; W484-Q488 PolarHBondContact O-N 3.45Å; W484-Q488 PolarHBondContact O-NE2 2.92Å; W484-P528 HydrophobicContact CD2-CG 3.97Å; W484-P528 HydrophobicContact CE3-CG 3.87Å; W484-P528 HydrophobicContact CH2-CG 4.2Å; W484-P528 HydrophobicContact CZ2-CG 4.29Å; W484-P528 HydrophobicContact CZ3-CG 3.98Å; W484-A543 WeakPolarHBondContact CH2-O 3.42Å; W484-A543 WeakPolarHBondContact CZ2-O 3.34Å
485	S	90.1	Very high	89.1	Confident	98 Å²	98	57.9 Å²	57.9	69%	0.685	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-57.9	-36.1	-177.3	59	0	0	0	0	113.1	S483 L487 Q488	S483-S485 PolarHBondContact O-N 2.86Å; S483-S485 VanDerWaalsContact O-N 3.13Å; S485-L487 PolarHBondContact O-N 2.79Å; S485-Q488 PolarHBondContact O-N 2.72Å
486	H	92	Very high	89.5	Confident	28 Å²	28	55.8 Å²	55.8	13%	0.13	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-69.6	-15.5	178.8	64.1	-67.7	0	0	0	114.2	W484 K521 G523 E527 P528	W484-H486 VanDerWaalsContact C-N 3.26Å; W484-H486 PolarHBondContact O-N 2.84Å; H486-K521 WeakPolarHBondContact O-CD 3.24Å; H486-G523 PolarHBondContact CD2-N 3.47Å; H486-G523 VanDerWaalsContact CE1-CA 3.41Å; H486-G523 WeakPolarHBondContact CE1-CA 3.49Å; H486-G523 WeakPolarHBondContact NE2-CA 3.48Å; H486-G523 PolarHBondContact NE2-N 2.84Å; H486-E527 IonicContact CE1-OE2 2.66Å; H486-E527 PolarHBondContact CE1-OE2 3.06Å; H486-E527 VanDerWaalsContact CE1-OE2 3.32Å; H486-E527 IonicContact ND1-OE2 3.17Å; H486-P528 PolarHBondContact NE2-O 3.15Å
487	L	92.2	Very high	89.8	Confident	7 Å²	7	58 Å²	58	4%	0.037	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-100.2	-8.2	177.6	-60.9	-165.3	0	0	0	113.9	I480 W484 S485 L490 P528 A530 L539	I480-L487 HydrophobicContact CG2-CB 4.16Å; W484-L487 HydrophobicContact CB-CB 4.14Å; W484-L487 HydrophobicContact CB-CD1 4.22Å; W484-L487 HydrophobicContact CB-CG 4.1Å; W484-L487 HydrophobicContact CD2-CD1 4.35Å; W484-L487 HydrophobicContact CE3-CD1 3.8Å; W484-L487 PolarHBondContact O-N 3.44Å; W484-L487 VanDerWaalsContact O-N 3.08Å; S485-L487 PolarHBondContact O-N 2.79Å; L487-L490 HydrophobicContact CD2-CD1 3.96Å; L487-P528 HydrophobicContact CD1-CB 4.35Å; L487-P528 HydrophobicContact CD1-CG 3.5Å; L487-P528 VanDerWaalsContact CD1-CG 3.5Å; L487-A530 HydrophobicContact CD2-CB 3.63Å; L487-L539 HydrophobicContact CD1-CD1 3.99Å; L487-L539 HydrophobicContact CD1-CD2 3.84Å; L487-L539 HydrophobicContact CD2-CD2 3.69Å; L487-L539 HydrophobicContact CG-CD2 4.4Å
488	Q	89.4	Confident	89.9	Confident	74 Å²	74	58.3 Å²	58.3	35%	0.346	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	148	175.9	-54.2	-53.2	-51.5	0	0	110.2	S481 W484 S485 L490	S481-Q488 PolarHBondContact O-NE2 2.85Å; W484-Q488 PolarHBondContact O-N 3.45Å; W484-Q488 PolarHBondContact O-NE2 2.92Å; S485-Q488 PolarHBondContact O-N 2.72Å; Q488-L490 PolarHBondContact O-N 3.37Å; Q488-L490 VanDerWaalsContact O-N 3.11Å
489	D	88.2	Confident	90.1	Very high	168 Å²	168	59 Å²	59	90%	0.898	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	18.6	178	-50	-46.1	0	0	0	115.6
490	L	91.4	Very high	90.1	Very high	26 Å²	26	60.7 Å²	60.7	14%	0.136	35%	0.354	C	S	.	.			trans	-87.8	134.3	173.9	-62.1	-172	0	0	0	111.9	L487 Q488 L492 K521 A530 W537	L487-L490 HydrophobicContact CD2-CD1 3.96Å; Q488-L490 PolarHBondContact O-N 3.37Å; Q488-L490 VanDerWaalsContact O-N 3.11Å; L490-L492 HydrophobicContact CB-CD2 3.93Å; L490-L492 PolarHBondContact O-N 3.44Å; L490-L492 VanDerWaalsContact O-N 3.1Å; L490-K521 HydrophobicContact CD1-CD 4.32Å; L490-K521 HydrophobicContact CD2-CD 4.05Å; L490-A530 HydrophobicContact CD1-CB 3.74Å; L490-W537 HydrophobicContact CB-CB 4.35Å; L490-W537 HydrophobicContact CB-CG 4.22Å; L490-W537 HydrophobicContact CD1-CB 4.2Å; L490-W537 HydrophobicContact CD1-CD2 4.17Å; L490-W537 HydrophobicContact CD1-CE3 4.49Å; L490-W537 HydrophobicContact CD1-CG 4.04Å; L490-W537 HydrophobicContact CD2-CD2 4.2Å; L490-W537 HydrophobicContact CD2-CG 4.2Å; L490-W537 HydrophobicContact CG-CG 4.4Å
491	T	91.9	Very high	90.2	Very high	115 Å²	115	60.2 Å²	60.2	71%	0.706	35%	0.353	S	S	*	.			trans	-75.4	96.2	163.2	-51.7	0	0	0	0	109.3	W537	T491-W537 PolarHBondContact O-N 3.06Å
492	L	93.4	Very high	90.4	Very high	41 Å²	41	62 Å²	62	22%	0.215	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-72.2	144.8	-179.4	-58.5	-178.4	0	0	0	111.8	I480 L490 F496 W537 L539	I480-L492 HydrophobicContact CD1-CD1 3.88Å; I480-L492 HydrophobicContact CG1-CD1 3.87Å; L490-L492 HydrophobicContact CB-CD2 3.93Å; L490-L492 PolarHBondContact O-N 3.44Å; L490-L492 VanDerWaalsContact O-N 3.1Å; L492-F496 HydrophobicContact CB-CD2 4.42Å; L492-F496 HydrophobicContact CD1-CB 4.23Å; L492-F496 HydrophobicContact CD1-CD2 3.55Å; L492-F496 HydrophobicContact CD1-CE2 4.22Å; L492-F496 HydrophobicContact CD1-CG 4.07Å; L492-W537 CarbonylContact C-O 3.54Å; L492-W537 WeakPolarHBondContact CA-O 3.4Å; L492-W537 HydrophobicContact CD2-CB 4.14Å; L492-L539 HydrophobicContact CD1-CD1 4.12Å; L492-L539 HydrophobicContact CD2-CD1 4.25Å; L492-L539 HydrophobicContact CD2-CD2 3.91Å; L492-L539 HydrophobicContact CD2-CG 4.03Å
493	A	93.6	Very high	90.7	Very high	7 Å²	7	57.2 Å²	57.2	6%	0.058	33%	0.325	C	S	.	.	S	Bend	trans	-77.6	-25.1	180	0	0	0	0	0	113	A384 R385 F535 W537 I538	A384-A493 CarbonylContact C-O 3.5Å; A384-A493 WeakPolarHBondContact CA-O 3.15Å; A384-A493 HydrophobicContact CB-CB 3.76Å; R385-A493 PolarHBondContact N-O 3.43Å; A493-F535 HydrophobicContact CB-CB 4.17Å; A493-W537 PolarHBondContact N-O 3Å; A493-I538 HydrophobicContact CB-CG1 3.62Å
494	D	93.8	Very high	91.2	Very high	9 Å²	9	54.5 Å²	54.5	5%	0.048	30%	0.304	C	S	.	.	S	Bend	trans	-117.7	169.6	173.3	-167	9.8	0	0	0	110.2	T383 N477 F496 R498	T383-D494 WeakPolarHBondContact CB-OD2 3.47Å; T383-D494 PolarHBondContact OG1-OD2 3.48Å; N477-D494 PolarHBondContact ND2-OD2 2.97Å; D494-F496 HydrophobicContact CB-CE2 3.93Å; D494-F496 WeakPolarHBondContact O-CD2 3.48Å; D494-R498 WeakPolarHBondContact OD1-CD 3.36Å; D494-R498 IonicContact OD1-NE 3.32Å; D494-R498 PolarHBondContact OD1-NE 3.44Å; D494-R498 IonicContact OD2-CZ 3.95Å; D494-R498 IonicContact OD2-NE 3.98Å; D494-R498 PolarHBondContact OD2-NE 3.49Å; D494-R498 VanDerWaalsContact OD2-NE 3.12Å; D494-R498 IonicContact OD2-NH2 2.82Å; D494-R498 PolarHBondContact OD2-NH2 3.08Å
495	Q	91.7	Very high	91.5	Very high	97 Å²	97	53.6 Å²	53.6	45%	0.453	30%	0.301	S	S	.	.			trans	-85.4	135.6	179.2	-70.2	-178.7	-23.8	0	0	111.8	N477 R498	N477-Q495 WeakPolarHBondContact CB-O 3.47Å; N477-Q495 PolarHBondContact ND2-O 3.05Å; Q495-R498 HydrophobicContact CB-CB 3.99Å; Q495-R498 HydrophobicContact CB-CG 4.43Å; Q495-R498 VanDerWaalsContact O-CB 3.29Å; Q495-R498 WeakPolarHBondContact O-CB 3.45Å
496	F	90.9	Very high	91.7	Very high	35 Å²	35	49.1 Å²	49.1	15%	0.154	27%	0.269	C	S	.	.	S	Bend	trans	-136.7	105.4	176	-68	-98.3	0	0	0	108.3	F380 N477 I480 L492 D494 L539	F380-F496 AromaticContact CD1-CE1 3.86Å; F380-F496 HydrophobicContact CD1-CE1 3.86Å; F380-F496 HydrophobicContact CE1-CD1 4.36Å; F380-F496 AromaticContact CE1-CE1 3.72Å; F380-F496 HydrophobicContact CE1-CE1 3.72Å; F380-F496 HydrophobicContact CG-CE1 4.46Å; F380-F496 HydrophobicContact CZ-CE1 4.17Å; N477-F496 HydrophobicContact CB-CD1 3.61Å; N477-F496 HydrophobicContact CB-CE1 3.71Å; N477-F496 HydrophobicContact CB-CG 4.22Å; N477-F496 HydrophobicContact CB-CZ 4.4Å; N477-F496 WeakPolarHBondContact ND2-CZ 3.2Å; I480-F496 HydrophobicContact CD1-CB 3.69Å; I480-F496 HydrophobicContact CD1-CD1 3.66Å; I480-F496 HydrophobicContact CD1-CD2 4.39Å; I480-F496 HydrophobicContact CD1-CE1 4.43Å; I480-F496 HydrophobicContact CD1-CG 3.66Å; I480-F496 HydrophobicContact CG1-CB 3.76Å; I480-F496 HydrophobicContact CG1-CG 4.27Å; L492-F496 HydrophobicContact CB-CD2 4.42Å; L492-F496 HydrophobicContact CD1-CB 4.23Å; L492-F496 HydrophobicContact CD1-CD2 3.55Å; L492-F496 HydrophobicContact CD1-CE2 4.22Å; L492-F496 HydrophobicContact CD1-CG 4.07Å; D494-F496 HydrophobicContact CB-CE2 3.93Å; D494-F496 WeakPolarHBondContact O-CD2 3.48Å; F496-L539 HydrophobicContact CD1-CD1 4.29Å; F496-L539 HydrophobicContact CD2-CD1 4.39Å; F496-L539 HydrophobicContact CE1-CD1 3.94Å; F496-L539 HydrophobicContact CE2-CD1 4.03Å; F496-L539 HydrophobicContact CE2-CG 4.34Å; F496-L539 HydrophobicContact CZ-CB 4.11Å; F496-L539 HydrophobicContact CZ-CD1 3.81Å; F496-L539 HydrophobicContact CZ-CG 4.2Å
497	P	89.8	Confident	91.8	Very high	85 Å²	85	47.8 Å²	47.8	55%	0.552	26%	0.263	S	S	*	.	S	Bend	cis	-78.4	157.3	4.3	32.4	-35.2	0	0	0	114.2	N477 P479	N477-P497 VanDerWaalsContact O-CA 3.24Å; N477-P497 WeakPolarHBondContact O-CA 3.27Å; N477-P497 WeakPolarHBondContact O-CB 3.39Å; P479-P497 HydrophobicContact CG-CB 4.18Å; P479-P497 HydrophobicContact CG-CG 4.32Å
498	R	90.5	Very high	91.8	Very high	22 Å²	22	47.5 Å²	47.5	8%	0.083	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-139.7	139.5	170.9	-176.4	-176.7	51.2	64.8	-5.9	109.4	A476 N477 D494 Q495 T501	A476-R498 CarbonylContact C-O 3.59Å; A476-R498 WeakPolarHBondContact CA-O 3.22Å; A476-R498 WeakPolarHBondContact CB-O 3.25Å; N477-R498 HydrophobicContact CB-CB 4.06Å; N477-R498 PolarHBondContact N-O 3.38Å; N477-R498 PolarHBondContact O-N 2.95Å; N477-R498 PolarHBondContact OD1-NH2 2.88Å; D494-R498 WeakPolarHBondContact OD1-CD 3.36Å; D494-R498 IonicContact OD1-NE 3.32Å; D494-R498 PolarHBondContact OD1-NE 3.44Å; D494-R498 IonicContact OD2-CZ 3.95Å; D494-R498 IonicContact OD2-NE 3.98Å; D494-R498 PolarHBondContact OD2-NE 3.49Å; D494-R498 VanDerWaalsContact OD2-NE 3.12Å; D494-R498 IonicContact OD2-NH2 2.82Å; D494-R498 PolarHBondContact OD2-NH2 3.08Å; Q495-R498 HydrophobicContact CB-CB 3.99Å; Q495-R498 HydrophobicContact CB-CG 4.43Å; Q495-R498 VanDerWaalsContact O-CB 3.29Å; Q495-R498 WeakPolarHBondContact O-CB 3.45Å; R498-T501 VanDerWaalsContact NH1-CB 3.34Å
499	G	88.6	Confident	91.8	Very high	50 Å²	50	47.8 Å²	47.8	52%	0.515	27%	0.265	S	S	.	.			trans	-68.5	-179.4	171.1	0	0	0	0	0	113.2
500	K	88.3	Confident	91.9	Very high	121 Å²	121	43 Å²	43	53%	0.526	24%	0.24	S	C	.	.			trans	-58.3	138.6	176.4	-145.5	170.2	-171.5	141.4	0	110.8	P473 L474 E475	P473-K500 HydrophobicContact CB-CD 4.47Å; P473-K500 HydrophobicContact CB-CG 4.23Å; L474-K500 WeakPolarHBondContact O-CA 3.26Å; L474-K500 WeakPolarHBondContact O-CG 3.5Å; E475-K500 WeakPolarHBondContact OE1-CE 3.37Å; E475-K500 IonicContact OE1-NZ 2.83Å; E475-K500 PolarHBondContact OE1-NZ 3.22Å; E475-K500 WeakPolarHBondContact OE2-CE 3.29Å; E475-K500 IonicContact OE2-NZ 2.68Å; E475-K500 PolarHBondContact OE2-NZ 3.35Å
501	T	90.2	Very high	92	Very high	33 Å²	33	44.5 Å²	44.5	20%	0.202	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-142.1	157.2	-177.2	-154.9	0	0	0	0	112.6	T399 P473 L474 R498	T399-T501 HydrophobicContact CG2-CG2 3.9Å; P473-T501 CarbonylContact C-O 3.59Å; P473-T501 VanDerWaalsContact CA-O 3.28Å; P473-T501 WeakPolarHBondContact CA-O 3.49Å; L474-T501 HydrophobicContact CB-CG2 4.43Å; L474-T501 PolarHBondContact N-O 2.91Å; L474-T501 PolarHBondContact O-N 3.29Å; L474-T501 VanDerWaalsContact O-N 3.1Å; R498-T501 VanDerWaalsContact NH1-CB 3.34Å
502	I	91	Very high	92	Very high	81 Å²	81	40.2 Å²	40.2	42%	0.415	22%	0.215	S	C	.	.			trans	-90.5	151.2	172.2	59.4	173.2	0	0	0	110.1	T399 W412 P473	T399-I502 WeakPolarHBondContact CB-O 3.47Å; W412-I502 HydrophobicContact CE3-CD1 4.36Å; W412-I502 HydrophobicContact CH2-CD1 4.44Å; W412-I502 HydrophobicContact CZ3-CD1 4.1Å; P473-I502 HydrophobicContact CB-CG2 4.43Å; P473-I502 HydrophobicContact CG-CG2 4.25Å
503	V	92.6	Very high	91.8	Very high	8 Å²	8	44.8 Å²	44.8	5%	0.048	24%	0.235	C	C	.	.			trans	-89.1	124.2	170.7	178.1	0	0	0	0	108.4	L401 L470 C471 L474 V505	L401-V503 HydrophobicContact CB-CB 4.43Å; L401-V503 HydrophobicContact CB-CG1 3.6Å; L401-V503 HydrophobicContact CB-CG2 3.91Å; L401-V503 HydrophobicContact CD2-CG2 4.22Å; L470-V503 HydrophobicContact CD1-CG1 4.15Å; C471-V503 WeakPolarHBondContact SG-CG2 3.46Å; L474-V503 HydrophobicContact CD1-CG2 3.56Å; L474-V503 HydrophobicContact CD2-CG2 4.03Å; L474-V503 HydrophobicContact CG-CG2 3.65Å; V503-V505 VanDerWaalsContact CG1-O 3.32Å; V503-V505 WeakPolarHBondContact CG1-O 3.35Å
504	D	95.3	Very high	91.7	Very high	20 Å²	20	46.8 Å²	46.8	11%	0.107	25%	0.252	C	S	.	.	S	Bend	trans	-89.8	-38.5	-179.6	-67.9	-56.6	0	0	0	111.9	I398 T399 W412 L415 L470	I398-D504 WeakPolarHBondContact CA-OD2 3.32Å; I398-D504 HydrophobicContact CB-CB 3.7Å; I398-D504 WeakPolarHBondContact CB-OD2 3.5Å; I398-D504 HydrophobicContact CD1-CB 4.27Å; I398-D504 HydrophobicContact CG2-CB 4.04Å; T399-D504 PolarHBondContact N-OD2 3.47Å; T399-D504 WeakPolarHBondContact O-CB 3.26Å; T399-D504 PolarHBondContact O-N 3.13Å; W412-D504 PolarHBondContact N-O 3Å; L415-D504 HydrophobicContact CD2-CB 3.69Å; L470-D504 WeakPolarHBondContact CD1-O 3.44Å
505	V	96.2	Very high	91.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	127.7	178.8	177.2	0	0	0	0	109.3	I388 I398 T399 C400 L401 F410 I411 F448 V503 I507	I388-V505 HydrophobicContact CD1-CG2 4.3Å; I398-V505 HydrophobicContact CD1-CB 4.06Å; I398-V505 HydrophobicContact CD1-CG2 3.44Å; I398-V505 VanDerWaalsContact CD1-CG2 3.44Å; T399-V505 PolarHBondContact O-N 2.99Å; C400-V505 CarbonylContact C-O 3.54Å; C400-V505 VanDerWaalsContact CA-O 3.26Å; C400-V505 WeakPolarHBondContact CA-O 3.07Å; L401-V505 PolarHBondContact N-O 2.94Å; F410-V505 CarbonylContact O-C 3.48Å; F410-V505 WeakPolarHBondContact O-CA 3.39Å; I411-V505 HydrophobicContact CB-CG2 4.35Å; I411-V505 HydrophobicContact CD1-CG2 4.18Å; I411-V505 HydrophobicContact CG1-CG2 3.98Å; F448-V505 HydrophobicContact CE2-CG1 4.28Å; F448-V505 HydrophobicContact CE2-CG2 4.17Å; F448-V505 HydrophobicContact CZ-CG1 4.03Å; F448-V505 HydrophobicContact CZ-CG2 4.11Å; V503-V505 VanDerWaalsContact CG1-O 3.32Å; V503-V505 WeakPolarHBondContact CG1-O 3.35Å; V505-I507 HydrophobicContact CG1-CG1 4.01Å
506	L	94.8	Very high	91.6	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.026	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.7	168.9	-173.4	154.1	0	0	0	108.3	L401 D403 A406 S409 F410 L470	L401-L506 HydrophobicContact CD2-CD1 4.32Å; L401-L506 CarbonylContact O-C 3.56Å; L401-L506 WeakPolarHBondContact O-CA 3.28Å; D403-L506 HydrophobicContact CB-CD1 4.44Å; D403-L506 HydrophobicContact CB-CD2 4.05Å; D403-L506 HydrophobicContact CB-CG 4.28Å; A406-L506 HydrophobicContact CB-CD2 3.5Å; A406-L506 VanDerWaalsContact CB-CD2 3.5Å; S409-L506 CarbonylContact C-O 3.4Å; S409-L506 VanDerWaalsContact CA-O 3.23Å; S409-L506 WeakPolarHBondContact CA-O 3.49Å; S409-L506 WeakPolarHBondContact CB-O 3.39Å; F410-L506 HydrophobicContact CB-CB 4.39Å; F410-L506 HydrophobicContact CD2-CD2 4.14Å; F410-L506 PolarHBondContact N-O 2.88Å; F410-L506 PolarHBondContact O-N 3.46Å; L470-L506 HydrophobicContact CD1-CB 4.3Å
507	I	94.8	Very high	91.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	109.2	-179.5	-58.8	172.1	0	0	0	108.1	C400 L401 F402 D403 L450 M462 V505 F515	C400-I507 HydrophobicContact CB-CD1 4.09Å; L401-I507 PolarHBondContact O-N 3.25Å; F402-I507 HydrophobicContact CD1-CB 3.83Å; F402-I507 HydrophobicContact CD1-CD1 4.05Å; F402-I507 HydrophobicContact CD1-CG2 3.86Å; F402-I507 HydrophobicContact CE1-CB 4.05Å; F402-I507 HydrophobicContact CE1-CD1 3.46Å; F402-I507 VanDerWaalsContact CE1-CD1 3.46Å; F402-I507 HydrophobicContact CE1-CG1 4.34Å; F402-I507 HydrophobicContact CE1-CG2 3.9Å; F402-I507 HydrophobicContact CE2-CD1 4.13Å; F402-I507 HydrophobicContact CG-CB 4.44Å; F402-I507 HydrophobicContact CZ-CD1 3.54Å; D403-I507 PolarHBondContact N-O 3.35Å; L450-I507 HydrophobicContact CD1-CD1 3.91Å; M462-I507 HydrophobicContact CE-CG1 4.3Å; V505-I507 HydrophobicContact CG1-CG1 4.01Å; I507-F515 HydrophobicContact CD1-CD2 4.12Å; I507-F515 HydrophobicContact CD1-CE2 3.89Å; I507-F515 HydrophobicContact CD1-CZ 4.35Å; I507-F515 HydrophobicContact CG2-CD2 4Å; I507-F515 HydrophobicContact CG2-CE2 4Å
508	G	91.3	Very high	90.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.251	C	S	.	.			trans	-84.4	-179.3	176.5	0	0	0	0	0	112.6	A406 S409 D510 Y511 Y512	A406-G508 CarbonylContact O-C 3.49Å; A406-G508 VanDerWaalsContact O-CA 3.26Å; A406-G508 WeakPolarHBondContact O-CA 3.28Å; S409-G508 PolarHBondContact OG-N 2.93Å; G508-D510 VanDerWaalsContact C-OD1 3.25Å; G508-D510 PolarHBondContact O-N 3.36Å; G508-D510 VanDerWaalsContact O-N 3.14Å; G508-Y511 PolarHBondContact O-N 3.01Å; G508-Y511 VanDerWaalsContact O-N 3.09Å; G508-Y512 WeakPolarHBondContact O-CA 3.4Å; G508-Y512 VanDerWaalsContact O-CB 3.29Å; G508-Y512 WeakPolarHBondContact O-CB 3.35Å; G508-Y512 PolarHBondContact O-N 2.83Å
509	L	88.6	Confident	90.8	Very high	80 Å²	80	48.6 Å²	48.6	42%	0.419	28%	0.275	S	S	.	.	H	α-helix	trans	-59.7	-22.3	179.8	-77.5	177.9	0	0	0	114.3	A404 A406 Y511 Y512	A404-L509 HydrophobicContact CB-CD2 4.12Å; A404-L509 WeakPolarHBondContact O-CD1 3.29Å; A404-L509 WeakPolarHBondContact O-CG 3.48Å; A406-L509 PolarHBondContact O-N 3.46Å; L509-Y511 PolarHBondContact O-N 2.82Å; L509-Y512 HydrophobicContact CD2-CG 4.4Å
510	D	90.2	Very high	91	Very high	69 Å²	69	49.6 Å²	49.6	37%	0.369	27%	0.272	S	S	.	.	H	α-helix	trans	-58.8	-31.3	173.5	59.6	-18.9	0	0	0	113.2	C408 S409 G508	C408-D510 WeakPolarHBondContact CA-OD2 3.33Å; S409-D510 VanDerWaalsContact N-CG 3.32Å; S409-D510 PolarHBondContact N-OD1 3.4Å; S409-D510 VanDerWaalsContact N-OD1 3.07Å; S409-D510 PolarHBondContact N-OD2 3.24Å; S409-D510 PolarHBondContact OG-OD1 3.45Å; G508-D510 VanDerWaalsContact C-OD1 3.25Å; G508-D510 PolarHBondContact O-N 3.36Å; G508-D510 VanDerWaalsContact O-N 3.14Å
511	Y	93.8	Very high	91.2	Very high	56 Å²	56	47.9 Å²	47.9	22%	0.22	26%	0.264	C	S	.	.	H	α-helix	trans	-127.1	-6.1	176.3	-69.3	-84.8	0	0	0	114.3	M462 E463 G508 L509 H513 A514 F515	M462-Y511 HydrophobicContact CB-CD1 3.59Å; M462-Y511 HydrophobicContact CB-CD2 4.05Å; M462-Y511 HydrophobicContact CB-CE1 3.48Å; M462-Y511 VanDerWaalsContact CB-CE1 3.48Å; M462-Y511 HydrophobicContact CB-CE2 3.97Å; M462-Y511 HydrophobicContact CB-CG 3.88Å; M462-Y511 HydrophobicContact CE-CD2 3.8Å; M462-Y511 HydrophobicContact CE-CE2 4.47Å; M462-Y511 HydrophobicContact CE-CG 3.98Å; E463-Y511 PolarHBondContact N-OH 3.46Å; E463-Y511 VanDerWaalsContact N-OH 3.1Å; E463-Y511 VanDerWaalsContact O-CE2 3.3Å; E463-Y511 WeakPolarHBondContact O-CE2 3.42Å; G508-Y511 PolarHBondContact O-N 3.01Å; G508-Y511 VanDerWaalsContact O-N 3.09Å; L509-Y511 PolarHBondContact O-N 2.82Å; Y511-H513 VanDerWaalsContact C-N 3.33Å; Y511-H513 PolarHBondContact O-N 2.99Å; Y511-A514 VanDerWaalsContact O-CB 3.22Å; Y511-A514 WeakPolarHBondContact O-CB 3.25Å; Y511-A514 PolarHBondContact O-N 3.48Å; Y511-F515 VanDerWaalsContact O-CD2 3.25Å; Y511-F515 WeakPolarHBondContact O-CD2 3.36Å
512	Y	92.4	Very high	91.1	Very high	25 Å²	25	51.1 Å²	51.1	10%	0.098	28%	0.28	C	S	.	.	H	α-helix	trans	-49.2	-51.4	-175.4	-175.5	-85.8	0	0	0	112.4	Q382 F402 A404 G508 L509 A514 F515 M516	Q382-Y512 PolarHBondContact NE2-OH 3.24Å; Q382-Y512 VanDerWaalsContact OE1-CE2 3.3Å; Q382-Y512 PolarHBondContact OE1-OH 3.04Å; F402-Y512 HydrophobicContact CB-CD2 4.01Å; F402-Y512 HydrophobicContact CB-CE2 3.74Å; F402-Y512 HydrophobicContact CD1-CD2 4.1Å; F402-Y512 HydrophobicContact CD1-CE2 4.4Å; A404-Y512 HydrophobicContact CB-CE2 4.2Å; G508-Y512 WeakPolarHBondContact O-CA 3.4Å; G508-Y512 VanDerWaalsContact O-CB 3.29Å; G508-Y512 WeakPolarHBondContact O-CB 3.35Å; G508-Y512 PolarHBondContact O-N 2.83Å; L509-Y512 HydrophobicContact CD2-CG 4.4Å; Y512-A514 VanDerWaalsContact C-N 3.25Å; Y512-A514 PolarHBondContact O-N 3.01Å; Y512-F515 PolarHBondContact O-N 3.31Å; Y512-M516 HydrophobicContact CD1-CG 3.93Å; Y512-M516 HydrophobicContact CE1-CB 4.42Å; Y512-M516 HydrophobicContact CE1-CG 3.6Å; Y512-M516 HydrophobicContact CE2-CE 4.13Å; Y512-M516 WeakPolarHBondContact O-CG 3.46Å; Y512-M516 PolarHBondContact O-N 3.23Å
513	H	90.3	Very high	90.8	Very high	137 Å²	137	48.5 Å²	48.5	63%	0.634	27%	0.273	S	S	*	.	H	α-helix	trans	-75.3	-9.1	-178.5	-66	-67.6	0	0	0	114.2	Y511 F515	Y511-H513 VanDerWaalsContact C-N 3.33Å; Y511-H513 PolarHBondContact O-N 2.99Å; H513-F515 VanDerWaalsContact C-N 3.25Å
514	A	91	Very high	90.4	Very high	50 Å²	50	50.7 Å²	50.7	41%	0.413	29%	0.289	S	S	.	.	H	α-helix	trans	-72.9	-21.7	171.5	0	0	0	0	0	112.1	Y511 Y512	Y511-A514 VanDerWaalsContact O-CB 3.22Å; Y511-A514 WeakPolarHBondContact O-CB 3.25Å; Y511-A514 PolarHBondContact O-N 3.48Å; Y512-A514 VanDerWaalsContact C-N 3.25Å; Y512-A514 PolarHBondContact O-N 3.01Å
515	F	92.2	Very high	89.8	Confident	5 Å²	5	56 Å²	56	2%	0.022	32%	0.324	C	S	.	.	H	α-helix	trans	-105.8	-22.4	-179.2	-61.2	-80.2	0	0	0	113.4	F402 L450 Q460 M462 I507 Y511 Y512 H513 S533 S534 F535	F402-F515 HydrophobicContact CE1-CB 3.59Å; F402-F515 AromaticContact CE1-CD2 3.75Å; F402-F515 HydrophobicContact CE1-CD2 3.75Å; F402-F515 AromaticContact CE1-CG 3.82Å; F402-F515 HydrophobicContact CE1-CG 3.82Å; F402-F515 HydrophobicContact CZ-CB 3.86Å; F402-F515 HydrophobicContact CZ-CD2 4.33Å; F402-F515 HydrophobicContact CZ-CG 4.06Å; L450-F515 HydrophobicContact CB-CE1 4.23Å; L450-F515 HydrophobicContact CB-CZ 4.41Å; L450-F515 HydrophobicContact CD1-CE1 4.36Å; L450-F515 HydrophobicContact CD1-CZ 3.96Å; Q460-F515 HydrophobicContact CB-CE1 3.64Å; Q460-F515 HydrophobicContact CB-CZ 4.03Å; Q460-F515 HydrophobicContact CG-CD1 4.46Å; Q460-F515 HydrophobicContact CG-CE1 3.68Å; Q460-F515 HydrophobicContact CG-CE2 4.42Å; Q460-F515 HydrophobicContact CG-CZ 3.65Å; M462-F515 HydrophobicContact SD-CE2 4.28Å; M462-F515 HydrophobicContact SD-CZ 4.12Å; I507-F515 HydrophobicContact CD1-CD2 4.12Å; I507-F515 HydrophobicContact CD1-CE2 3.89Å; I507-F515 HydrophobicContact CD1-CZ 4.35Å; I507-F515 HydrophobicContact CG2-CD2 4Å; I507-F515 HydrophobicContact CG2-CE2 4Å; Y511-F515 VanDerWaalsContact O-CD2 3.25Å; Y511-F515 WeakPolarHBondContact O-CD2 3.36Å; Y512-F515 PolarHBondContact O-N 3.31Å; H513-F515 VanDerWaalsContact C-N 3.25Å; F515-S533 CarbonylContact O-C 3.58Å; F515-S533 WeakPolarHBondContact O-CA 3.35Å; F515-S533 WeakPolarHBondContact O-CB 3.37Å; F515-S534 WeakPolarHBondContact CD1-OG 3.46Å; F515-S534 PolarHBondContact O-N 3.49Å; F515-F535 HydrophobicContact CD1-CE1 4.37Å; F515-F535 AromaticContact CD1-CE2 3.65Å; F515-F535 HydrophobicContact CD1-CE2 3.65Å; F515-F535 AromaticContact CD1-CZ 3.54Å; F515-F535 HydrophobicContact CD1-CZ 3.54Å; F515-F535 HydrophobicContact CE1-CE1 4.34Å; F515-F535 AromaticContact CE1-CE2 3.92Å; F515-F535 HydrophobicContact CE1-CE2 3.92Å; F515-F535 AromaticContact CE1-CZ 3.44Å; F515-F535 HydrophobicContact CE1-CZ 3.44Å; F515-F535 VanDerWaalsContact CE1-CZ 3.44Å; F515-F535 HydrophobicContact CG-CE2 4.31Å; F515-F535 HydrophobicContact CZ-CZ 4.42Å
516	M	90.2	Very high	89.1	Confident	23 Å²	23	61.9 Å²	61.9	11%	0.113	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.7	-176.2	-60.8	-65.5	166.8	0	0	111.2	F402 Y512 V531 I538	F402-M516 HydrophobicContact CB-CE 3.94Å; F402-M516 HydrophobicContact CD1-CE 3.33Å; F402-M516 HydrophobicContact CD2-CE 3.92Å; F402-M516 HydrophobicContact CE1-CE 3.66Å; F402-M516 HydrophobicContact CE2-CE 4.2Å; F402-M516 HydrophobicContact CG-CE 3.45Å; F402-M516 VanDerWaalsContact CG-CE 3.45Å; F402-M516 HydrophobicContact CZ-CE 4.06Å; Y512-M516 HydrophobicContact CD1-CG 3.93Å; Y512-M516 HydrophobicContact CE1-CB 4.42Å; Y512-M516 HydrophobicContact CE1-CG 3.6Å; Y512-M516 HydrophobicContact CE2-CE 4.13Å; Y512-M516 WeakPolarHBondContact O-CG 3.46Å; Y512-M516 PolarHBondContact O-N 3.23Å; M516-V531 HydrophobicContact SD-CG1 3.98Å; M516-I538 HydrophobicContact CE-CD1 3.56Å; M516-I538 HydrophobicContact SD-CD1 4.2Å
517	S	83.7	Confident	88.8	Confident	60 Å²	60	64.1 Å²	64.1	42%	0.42	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-16.7	179.7	64.8	0	0	0	0	114.2	Q532	S517-Q532 PolarHBondContact N-O 3.22Å; S517-Q532 VanDerWaalsContact OG-CB 3.26Å; S517-Q532 WeakPolarHBondContact OG-CB 3.45Å; S517-Q532 WeakPolarHBondContact OG-CG 3.39Å; S517-Q532 PolarHBondContact OG-O 2.97Å; S517-Q532 PolarHBondContact OG-OE1 2.96Å
518	G	80.7	Confident	88.6	Confident	62 Å²	62	64.1 Å²	64.1	64%	0.639	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	91.7	-13.3	-177	0	0	0	0	0	115.3
519	F	91	Very high	88.6	Confident	135 Å²	135	66 Å²	66	59%	0.592	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	137.3	175.8	-64.1	-81	0	0	0	111.8	Q532	F519-Q532 HydrophobicContact CB-CB 4.01Å; F519-Q532 PolarHBondContact O-N 3.05Å
520	T	92.5	Very high	88.9	Confident	72 Å²	72	62.2 Å²	62.2	44%	0.442	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.1	178.4	59.3	0	0	0	0	111.7	V529 A530 V531	T520-V529 HydrophobicContact CG2-CG1 4.49Å; T520-A530 CarbonylContact C-O 3.53Å; T520-A530 VanDerWaalsContact CA-O 3.23Å; T520-A530 WeakPolarHBondContact CA-O 3.16Å; T520-V531 HydrophobicContact CG2-CG1 4.33Å; T520-V531 HydrophobicContact CG2-CG2 4.11Å
521	K	92.1	Very high	89	Confident	85 Å²	85	59.8 Å²	59.8	37%	0.37	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.9	164.5	-67.7	-171	179.6	-168.2	0	108.2	H486 L490 A530 W537	H486-K521 WeakPolarHBondContact O-CD 3.24Å; L490-K521 HydrophobicContact CD1-CD 4.32Å; L490-K521 HydrophobicContact CD2-CD 4.05Å; K521-A530 HydrophobicContact CB-CB 4.35Å; K521-A530 PolarHBondContact N-O 3.3Å; K521-A530 PolarHBondContact O-N 3.28Å; K521-W537 HydrophobicContact CB-CZ3 4.4Å; K521-W537 HydrophobicContact CD-CH2 4.26Å; K521-W537 HydrophobicContact CD-CZ3 4.43Å; K521-W537 HydrophobicContact CG-CH2 3.88Å; K521-W537 HydrophobicContact CG-CZ3 3.88Å
522	N	89.1	Confident	89	Confident	101 Å²	101	60.3 Å²	60.3	54%	0.54	34%	0.344	S	S	.	.			trans	-101.8	135.4	-174.9	-55	-51.7	0	0	0	109.9	V529	N522-V529 WeakPolarHBondContact OD1-CG1 3.37Å
523	G	83.1	Confident	89	Confident	25 Å²	25	59.6 Å²	59.6	26%	0.258	34%	0.342	S	S	.	.			trans	-87.8	-164.1	165	0	0	0	0	0	111.6	H486 E527	H486-G523 PolarHBondContact CD2-N 3.47Å; H486-G523 VanDerWaalsContact CE1-CA 3.41Å; H486-G523 WeakPolarHBondContact CE1-CA 3.49Å; H486-G523 WeakPolarHBondContact NE2-CA 3.48Å; H486-G523 PolarHBondContact NE2-N 2.84Å; G523-E527 VanDerWaalsContact CA-OE2 3.31Å; G523-E527 WeakPolarHBondContact CA-OE2 3.36Å
524	S	85.5	Confident	89	Confident	54 Å²	54	55.6 Å²	55.6	38%	0.378	33%	0.33	S	S	.	.			trans	-62.8	164	167	76.3	0	0	0	0	111.4	K526 E527	S524-K526 PolarHBondContact O-N 3.17Å; S524-E527 PolarHBondContact N-OE2 3.16Å; S524-E527 WeakPolarHBondContact O-CB 3.19Å; S524-E527 PolarHBondContact O-N 3.49Å; S524-E527 VanDerWaalsContact OG-CG 3.27Å; S524-E527 WeakPolarHBondContact OG-CG 3.37Å; S524-E527 PolarHBondContact OG-OE1 3.48Å
525	P	81.5	Confident	89.1	Confident	132 Å²	132	54.1 Å²	54.1	86%	0.857	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-16.8	-175.5	-28.4	36	0	0	0	116.6
526	K	83.2	Confident	89.1	Confident	123 Å²	123	54.7 Å²	54.7	54%	0.535	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	2.7	176.2	-69.6	-161.2	168.6	-143.4	0	113.8	E377 S524 G544	E377-K526 IonicContact OE1-NZ 2.86Å; E377-K526 PolarHBondContact OE1-NZ 3.19Å; S524-K526 PolarHBondContact O-N 3.17Å; K526-G544 PolarHBondContact O-N 2.85Å
527	E	87.4	Confident	89.3	Confident	52 Å²	52	55.6 Å²	55.6	24%	0.243	32%	0.324	C	S	.	.	S	Bend	trans	-103	155.1	177.7	-70	166.4	-155	0	0	110.5	H486 G523 S524 P542	H486-E527 IonicContact CE1-OE2 2.66Å; H486-E527 PolarHBondContact CE1-OE2 3.06Å; H486-E527 VanDerWaalsContact CE1-OE2 3.32Å; H486-E527 IonicContact ND1-OE2 3.17Å; G523-E527 VanDerWaalsContact CA-OE2 3.31Å; G523-E527 WeakPolarHBondContact CA-OE2 3.36Å; S524-E527 PolarHBondContact N-OE2 3.16Å; S524-E527 WeakPolarHBondContact O-CB 3.19Å; S524-E527 PolarHBondContact O-N 3.49Å; S524-E527 VanDerWaalsContact OG-CG 3.27Å; S524-E527 WeakPolarHBondContact OG-CG 3.37Å; S524-E527 PolarHBondContact OG-OE1 3.48Å; E527-P542 CarbonylContact C-O 3.33Å
528	P	90.3	Very high	89.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-70	152.2	179.4	30.1	-38.8	0	0	0	112.5	F380 W484 H486 L487 S540 P542	F380-P528 HydrophobicContact CD2-CB 3.67Å; F380-P528 HydrophobicContact CD2-CG 4.27Å; F380-P528 HydrophobicContact CE2-CB 4.02Å; F380-P528 HydrophobicContact CE2-CG 4.11Å; W484-P528 HydrophobicContact CD2-CG 3.97Å; W484-P528 HydrophobicContact CE3-CG 3.87Å; W484-P528 HydrophobicContact CH2-CG 4.2Å; W484-P528 HydrophobicContact CZ2-CG 4.29Å; W484-P528 HydrophobicContact CZ3-CG 3.98Å; H486-P528 PolarHBondContact NE2-O 3.15Å; L487-P528 HydrophobicContact CD1-CB 4.35Å; L487-P528 HydrophobicContact CD1-CG 3.5Å; L487-P528 VanDerWaalsContact CD1-CG 3.5Å; P528-S540 CarbonylContact C-O 3.57Å; P528-S540 WeakPolarHBondContact CA-O 3.28Å; P528-P542 WeakPolarHBondContact CA-O 3.41Å; P528-P542 VanDerWaalsContact CD-O 3.23Å; P528-P542 WeakPolarHBondContact CD-O 3.47Å
529	V	91.9	Very high	90.3	Very high	41 Å²	41	50 Å²	50	25%	0.248	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.1	172.3	175.7	0	0	0	0	109	T520 N522 V531 L539 S540	T520-V529 HydrophobicContact CG2-CG1 4.49Å; N522-V529 WeakPolarHBondContact OD1-CG1 3.37Å; V529-V531 HydrophobicContact CG1-CG2 4.17Å; V529-L539 CarbonylContact O-C 3.42Å; V529-L539 WeakPolarHBondContact O-CA 3.37Å; V529-S540 PolarHBondContact N-O 2.71Å; V529-S540 PolarHBondContact O-N 2.98Å
530	A	93.8	Very high	90.3	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.1	167.7	0	0	0	0	0	110.2	L487 L490 T520 K521 W537 I538 L539	L487-A530 HydrophobicContact CD2-CB 3.63Å; L490-A530 HydrophobicContact CD1-CB 3.74Å; T520-A530 CarbonylContact C-O 3.53Å; T520-A530 VanDerWaalsContact CA-O 3.23Å; T520-A530 WeakPolarHBondContact CA-O 3.16Å; K521-A530 HydrophobicContact CB-CB 4.35Å; K521-A530 PolarHBondContact N-O 3.3Å; K521-A530 PolarHBondContact O-N 3.28Å; A530-W537 HydrophobicContact CB-CB 4.41Å; A530-W537 HydrophobicContact CB-CD2 4.44Å; A530-W537 HydrophobicContact CB-CE3 3.68Å; A530-W537 HydrophobicContact CB-CZ3 4.37Å; A530-I538 CarbonylContact C-O 3.53Å; A530-I538 WeakPolarHBondContact CA-O 3.17Å; A530-L539 HydrophobicContact CB-CD2 3.71Å
531	V	93.3	Very high	90	Very high	18 Å²	18	42.3 Å²	42.3	11%	0.109	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.7	177.2	-174.4	0	0	0	0	108.5	M516 T520 V529 S533 I538	M516-V531 HydrophobicContact SD-CG1 3.98Å; T520-V531 HydrophobicContact CG2-CG1 4.33Å; T520-V531 HydrophobicContact CG2-CG2 4.11Å; V529-V531 HydrophobicContact CG1-CG2 4.17Å; V531-S533 PolarHBondContact O-N 3.43Å; V531-I538 PolarHBondContact N-O 3.1Å; V531-I538 PolarHBondContact O-N 3.46Å
532	Q	93.7	Very high	89.6	Confident	67 Å²	67	39.8 Å²	39.8	31%	0.313	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	124.1	-179.2	-176	-177.6	30.5	0	0	110.8	S517 F519 W537	S517-Q532 PolarHBondContact N-O 3.22Å; S517-Q532 VanDerWaalsContact OG-CB 3.26Å; S517-Q532 WeakPolarHBondContact OG-CB 3.45Å; S517-Q532 WeakPolarHBondContact OG-CG 3.39Å; S517-Q532 PolarHBondContact OG-O 2.97Å; S517-Q532 PolarHBondContact OG-OE1 2.96Å; F519-Q532 HydrophobicContact CB-CB 4.01Å; F519-Q532 PolarHBondContact O-N 3.05Å; Q532-W537 HydrophobicContact CB-CD2 4.19Å; Q532-W537 HydrophobicContact CB-CE3 3.91Å; Q532-W537 HydrophobicContact CB-CH2 3.85Å; Q532-W537 HydrophobicContact CB-CZ2 4.11Å; Q532-W537 HydrophobicContact CB-CZ3 3.74Å; Q532-W537 HydrophobicContact CG-CZ2 4.32Å
533	S	92.5	Very high	89	Confident	9 Å²	9	35.2 Å²	35.2	6%	0.063	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	170.5	174.5	78	0	0	0	0	111.5	F515 V531 F535 G536 I538	F515-S533 CarbonylContact O-C 3.58Å; F515-S533 WeakPolarHBondContact O-CA 3.35Å; F515-S533 WeakPolarHBondContact O-CB 3.37Å; V531-S533 PolarHBondContact O-N 3.43Å; S533-F535 PolarHBondContact O-N 2.9Å; S533-F535 PolarHBondContact OG-N 3.5Å; S533-F535 VanDerWaalsContact OG-N 3.13Å; S533-G536 PolarHBondContact N-O 3.45Å; S533-G536 PolarHBondContact O-N 3.18Å; S533-G536 VanDerWaalsContact O-N 3.16Å; S533-G536 PolarHBondContact OG-N 3.42Å; S533-G536 PolarHBondContact OG-O 3.05Å; S533-I538 WeakPolarHBondContact OG-CD1 3.24Å
534	S	91	Very high	88.2	Confident	54 Å²	54	36.2 Å²	36.2	38%	0.378	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.4	171	60.3	0	0	0	0	113.5	P452 F515	P452-S534 WeakPolarHBondContact CG-O 3.48Å; F515-S534 WeakPolarHBondContact CD1-OG 3.46Å; F515-S534 PolarHBondContact O-N 3.49Å
535	F	91.8	Very high	87.1	Confident	19 Å²	19	35.2 Å²	35.2	8%	0.083	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-2.9	179.1	-56.8	-46.2	0	0	0	114.1	A384 A386 F402 L450 P452 A493 F515 S533	A384-F535 HydrophobicContact CB-CB 4.1Å; A384-F535 HydrophobicContact CB-CD2 3.81Å; A384-F535 HydrophobicContact CB-CG 4.35Å; A386-F535 HydrophobicContact CB-CD1 4.14Å; A386-F535 HydrophobicContact CB-CD2 4.46Å; A386-F535 HydrophobicContact CB-CE1 3.79Å; A386-F535 HydrophobicContact CB-CE2 4.11Å; A386-F535 HydrophobicContact CB-CG 4.48Å; A386-F535 HydrophobicContact CB-CZ 3.77Å; F402-F535 HydrophobicContact CE2-CD2 4.18Å; F402-F535 HydrophobicContact CE2-CE2 4.34Å; F402-F535 AromaticContact CZ-CD2 3.91Å; F402-F535 HydrophobicContact CZ-CD2 3.91Å; F402-F535 AromaticContact CZ-CE2 3.78Å; F402-F535 HydrophobicContact CZ-CE2 3.78Å; L450-F535 HydrophobicContact CB-CE1 4.25Å; L450-F535 HydrophobicContact CB-CZ 3.73Å; L450-F535 HydrophobicContact CD1-CZ 4.23Å; P452-F535 HydrophobicContact CB-CD1 4.31Å; P452-F535 HydrophobicContact CG-CD1 4.01Å; A493-F535 HydrophobicContact CB-CB 4.17Å; F515-F535 HydrophobicContact CD1-CE1 4.37Å; F515-F535 AromaticContact CD1-CE2 3.65Å; F515-F535 HydrophobicContact CD1-CE2 3.65Å; F515-F535 AromaticContact CD1-CZ 3.54Å; F515-F535 HydrophobicContact CD1-CZ 3.54Å; F515-F535 HydrophobicContact CE1-CE1 4.34Å; F515-F535 AromaticContact CE1-CE2 3.92Å; F515-F535 HydrophobicContact CE1-CE2 3.92Å; F515-F535 AromaticContact CE1-CZ 3.44Å; F515-F535 HydrophobicContact CE1-CZ 3.44Å; F515-F535 VanDerWaalsContact CE1-CZ 3.44Å; F515-F535 HydrophobicContact CG-CE2 4.31Å; F515-F535 HydrophobicContact CZ-CZ 4.42Å; S533-F535 PolarHBondContact O-N 2.9Å; S533-F535 PolarHBondContact OG-N 3.5Å; S533-F535 VanDerWaalsContact OG-N 3.13Å
536	G	91.9	Very high	85.8	Confident	16 Å²	16	38.2 Å²	38.2	17%	0.165	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.4	-168.1	-169.9	0	0	0	0	0	111.8	S533 I538	S533-G536 PolarHBondContact N-O 3.45Å; S533-G536 PolarHBondContact O-N 3.18Å; S533-G536 VanDerWaalsContact O-N 3.16Å; S533-G536 PolarHBondContact OG-N 3.42Å; S533-G536 PolarHBondContact OG-O 3.05Å; G536-I538 PolarHBondContact O-N 2.98Å
537	W	94.2	Very high	84.5	Confident	43 Å²	43	38.4 Å²	38.4	16%	0.163	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.2	179.2	-69	89.7	0	0	0	111.1	L490 T491 L492 A493 K521 A530 Q532	L490-W537 HydrophobicContact CB-CB 4.35Å; L490-W537 HydrophobicContact CB-CG 4.22Å; L490-W537 HydrophobicContact CD1-CB 4.2Å; L490-W537 HydrophobicContact CD1-CD2 4.17Å; L490-W537 HydrophobicContact CD1-CE3 4.49Å; L490-W537 HydrophobicContact CD1-CG 4.04Å; L490-W537 HydrophobicContact CD2-CD2 4.2Å; L490-W537 HydrophobicContact CD2-CG 4.2Å; L490-W537 HydrophobicContact CG-CG 4.4Å; T491-W537 PolarHBondContact O-N 3.06Å; L492-W537 CarbonylContact C-O 3.54Å; L492-W537 WeakPolarHBondContact CA-O 3.4Å; L492-W537 HydrophobicContact CD2-CB 4.14Å; A493-W537 PolarHBondContact N-O 3Å; K521-W537 HydrophobicContact CB-CZ3 4.4Å; K521-W537 HydrophobicContact CD-CH2 4.26Å; K521-W537 HydrophobicContact CD-CZ3 4.43Å; K521-W537 HydrophobicContact CG-CH2 3.88Å; K521-W537 HydrophobicContact CG-CZ3 3.88Å; A530-W537 HydrophobicContact CB-CB 4.41Å; A530-W537 HydrophobicContact CB-CD2 4.44Å; A530-W537 HydrophobicContact CB-CE3 3.68Å; A530-W537 HydrophobicContact CB-CZ3 4.37Å; Q532-W537 HydrophobicContact CB-CD2 4.19Å; Q532-W537 HydrophobicContact CB-CE3 3.91Å; Q532-W537 HydrophobicContact CB-CH2 3.85Å; Q532-W537 HydrophobicContact CB-CZ2 4.11Å; Q532-W537 HydrophobicContact CB-CZ3 3.74Å; Q532-W537 HydrophobicContact CG-CZ2 4.32Å
538	I	94.4	Very high	82.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.2	177.1	-65.6	173.2	0	0	0	108.5	Q382 A384 F402 A493 M516 A530 V531 S533 G536	Q382-I538 VanDerWaalsContact CA-CG2 3.43Å; Q382-I538 HydrophobicContact CB-CG2 3.63Å; Q382-I538 HydrophobicContact CG-CG2 3.88Å; A384-I538 HydrophobicContact CB-CD1 4.29Å; A384-I538 HydrophobicContact CB-CG1 4.36Å; F402-I538 HydrophobicContact CD2-CD1 3.75Å; F402-I538 HydrophobicContact CE2-CD1 3.54Å; F402-I538 HydrophobicContact CZ-CD1 4.18Å; A493-I538 HydrophobicContact CB-CG1 3.62Å; M516-I538 HydrophobicContact CE-CD1 3.56Å; M516-I538 HydrophobicContact SD-CD1 4.2Å; A530-I538 CarbonylContact C-O 3.53Å; A530-I538 WeakPolarHBondContact CA-O 3.17Å; V531-I538 PolarHBondContact N-O 3.1Å; V531-I538 PolarHBondContact O-N 3.46Å; S533-I538 WeakPolarHBondContact OG-CD1 3.24Å; G536-I538 PolarHBondContact O-N 2.98Å
539	L	92.8	Very high	81	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	142.8	175.5	-59.1	-173.2	0	0	0	111.1	F380 I480 L487 L492 F496 V529 A530	F380-L539 HydrophobicContact CB-CB 4.42Å; F380-L539 HydrophobicContact CD2-CB 4.39Å; F380-L539 HydrophobicContact CG-CB 4.5Å; I480-L539 HydrophobicContact CD1-CD1 3.44Å; I480-L539 VanDerWaalsContact CD1-CD1 3.44Å; L487-L539 HydrophobicContact CD1-CD1 3.99Å; L487-L539 HydrophobicContact CD1-CD2 3.84Å; L487-L539 HydrophobicContact CD2-CD2 3.69Å; L487-L539 HydrophobicContact CG-CD2 4.4Å; L492-L539 HydrophobicContact CD1-CD1 4.12Å; L492-L539 HydrophobicContact CD2-CD1 4.25Å; L492-L539 HydrophobicContact CD2-CD2 3.91Å; L492-L539 HydrophobicContact CD2-CG 4.03Å; F496-L539 HydrophobicContact CD1-CD1 4.29Å; F496-L539 HydrophobicContact CD2-CD1 4.39Å; F496-L539 HydrophobicContact CE1-CD1 3.94Å; F496-L539 HydrophobicContact CE2-CD1 4.03Å; F496-L539 HydrophobicContact CE2-CG 4.34Å; F496-L539 HydrophobicContact CZ-CB 4.11Å; F496-L539 HydrophobicContact CZ-CD1 3.81Å; F496-L539 HydrophobicContact CZ-CG 4.2Å; V529-L539 CarbonylContact O-C 3.42Å; V529-L539 WeakPolarHBondContact O-CA 3.37Å; A530-L539 HydrophobicContact CB-CD2 3.71Å
540	S	90.1	Very high	79	Confident	30 Å²	30	45 Å²	45	21%	0.21	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	154.9	177.9	-166	0	0	0	0	111.2	F380 Q382 P528 V529	F380-S540 WeakPolarHBondContact O-CA 3.37Å; Q382-S540 WeakPolarHBondContact CG-OG 3.42Å; P528-S540 CarbonylContact C-O 3.57Å; P528-S540 WeakPolarHBondContact CA-O 3.28Å; V529-S540 PolarHBondContact N-O 2.71Å; V529-S540 PolarHBondContact O-N 2.98Å
541	G	85.9	Confident	76.9	Confident	17 Å²	17	48.7 Å²	48.7	18%	0.175	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	94.6	-171	175.2	0	0	0	0	0	113.7	V379 F380	V379-G541 CarbonylContact C-O 3.59Å; V379-G541 WeakPolarHBondContact CA-O 3.28Å; V379-G541 WeakPolarHBondContact CG1-O 3.37Å; F380-G541 PolarHBondContact N-O 3.29Å; F380-G541 PolarHBondContact O-N 3.27Å; F380-G541 VanDerWaalsContact O-N 3.16Å
542	P	83.6	Confident	74.9	Confident	32 Å²	32	49.5 Å²	49.5	21%	0.208	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	140.4	-170.7	25.6	-32.9	0	0	0	112.1	E527 P528	E527-P542 CarbonylContact C-O 3.33Å; P528-P542 WeakPolarHBondContact CA-O 3.41Å; P528-P542 VanDerWaalsContact CD-O 3.23Å; P528-P542 WeakPolarHBondContact CD-O 3.47Å
543	A	76.5	Confident	72.7	Confident	5 Å²	5	48.2 Å²	48.2	4%	0.041	27%	0.268	C	S	.	.			trans	-95	7.9	180	0	0	0	0	0	113.3	K378 F380 W484 S545	K378-A543 HydrophobicContact CB-CB 4.21Å; K378-A543 HydrophobicContact CG-CB 4.28Å; K378-A543 WeakPolarHBondContact O-CB 3.22Å; K378-A543 PolarHBondContact O-N 2.94Å; F380-A543 HydrophobicContact CD2-CB 4.09Å; F380-A543 HydrophobicContact CE1-CB 4.15Å; F380-A543 HydrophobicContact CE2-CB 3.6Å; F380-A543 HydrophobicContact CZ-CB 3.63Å; W484-A543 WeakPolarHBondContact CH2-O 3.42Å; W484-A543 WeakPolarHBondContact CZ2-O 3.34Å; A543-S545 PolarHBondContact O-N 3.39Å
544	G	67.1	Low	70.9	Confident	45 Å²	45	48.3 Å²	48.3	46%	0.464	27%	0.268	S	S	.	.			trans	63.5	0.2	175	0	0	0	0	0	117.2	K526	K526-G544 PolarHBondContact O-N 2.85Å
545	S	63.3	Low	68.9	Low	34 Å²	34	49 Å²	49	24%	0.238	27%	0.265	C	S	.	.			trans	-90.2	143.3	179.5	70.2	0	0	0	0	112.2	A543 E547	A543-S545 PolarHBondContact O-N 3.39Å; S545-E547 PolarHBondContact O-N 2.95Å
546	Q	53	Low	67	Low	195 Å²	195	48.4 Å²	48.4	91%	0.911	26%	0.263	S	S	*	.			trans	-74.1	6.2	169.1	-70.4	-153.4	-7.9	0	0	113.2	K548	Q546-K548 PolarHBondContact O-N 3.18Å
547	E	55.9	Low	64.9	Low	126 Å²	126	49.9 Å²	49.9	59%	0.589	27%	0.268	S	S	*	.	S	Bend	trans	-69.7	130.3	175.4	-68.5	-171.6	157.7	0	0	110.1	S545 G549	S545-E547 PolarHBondContact O-N 2.95Å; E547-G549 PolarHBondContact O-N 3.21Å
548	K	51.6	Low	62.9	Low	182 Å²	182	49.7 Å²	49.7	79%	0.791	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	108.7	176	-66.7	178.5	-179.7	174.3	0	109	Q546	Q546-K548 PolarHBondContact O-N 3.18Å
549	G	52.2	Low	60.7	Low	11 Å²	11	52.5 Å²	52.5	11%	0.113	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	163.4	176.6	0	0	0	0	0	112.6	M376 E547	M376-G549 PolarHBondContact O-N 2.9Å; M376-G549 VanDerWaalsContact O-N 3.15Å; E547-G549 PolarHBondContact O-N 3.21Å
550	V	49.6	Very low	58.7	Low	38 Å²	38	59.2 Å²	59.2	23%	0.23	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-98.2	126.2	167.3	177.7	0	0	0	0	107.8	L370 R372	L370-V550 HydrophobicContact CD2-CG1 4.31Å; R372-V550 HydrophobicContact CG-CG1 3.63Å; R372-V550 HydrophobicContact CG-CG2 4.26Å
551	Q	50.9	Low	57.1	Low	79 Å²	79	58.8 Å²	58.8	37%	0.369	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-92.6	139.2	170.7	-71.6	-173.7	-8.7	0	0	110.3	L371	L371-Q551 VanDerWaalsContact O-O 3.05Å
552	N	51.3	Low	55.8	Low	34 Å²	34	60.1 Å²	60.1	18%	0.182	33%	0.333	C	S	.	.			trans	-110.6	133.2	178.7	-64	-26.5	0	0	0	109.6	L370 L381 F554	L370-N552 HydrophobicContact CD1-CB 4.4Å; L370-N552 WeakPolarHBondContact CD2-OD1 3.42Å; L370-N552 WeakPolarHBondContact CG-OD1 3.48Å; L381-N552 HydrophobicContact CD1-CB 4.41Å; L381-N552 WeakPolarHBondContact CD1-ND2 3.47Å; N552-F554 HydrophobicContact CB-CD2 4.33Å; N552-F554 HydrophobicContact CB-CE1 4.35Å; N552-F554 HydrophobicContact CB-CE2 3.49Å; N552-F554 VanDerWaalsContact CB-CE2 3.49Å; N552-F554 HydrophobicContact CB-CZ 3.5Å
553	V	47.3	Very low	54.7	Low	40 Å²	40	61.1 Å²	61.1	24%	0.242	34%	0.336	C	S	.	.			trans	-110.9	124.7	171.5	179.7	0	0	0	0	107.5	F433	F433-V553 HydrophobicContact CB-CG1 4.05Å; F433-V553 HydrophobicContact CD1-CG1 4.19Å; F433-V553 HydrophobicContact CD2-CG1 4.2Å; F433-V553 HydrophobicContact CG-CG1 3.88Å
554	F	53.8	Low	53.7	Low	12 Å²	12	65 Å²	65	5%	0.053	35%	0.353	C	S	.	.			trans	-116.3	129	176.2	-53.3	-82.3	0	0	0	108	V368 L381 L401 D403 R405 C471 N552	V368-F554 HydrophobicContact CB-CD1 4.26Å; V368-F554 HydrophobicContact CG1-CB 4.11Å; V368-F554 HydrophobicContact CG1-CD1 3.56Å; V368-F554 HydrophobicContact CG1-CE1 4.49Å; V368-F554 HydrophobicContact CG1-CG 4.28Å; L381-F554 HydrophobicContact CD1-CE2 4.36Å; L381-F554 HydrophobicContact CD2-CE2 4.49Å; L401-F554 HydrophobicContact CD2-CE1 4.07Å; L401-F554 HydrophobicContact CD2-CE2 3.89Å; L401-F554 HydrophobicContact CD2-CZ 3.63Å; D403-F554 WeakPolarHBondContact OD2-CB 3.46Å; R405-F554 WeakPolarHBondContact CB-O 3.41Å; C471-F554 HydrophobicContact CB-CE1 3.72Å; N552-F554 HydrophobicContact CB-CD2 4.33Å; N552-F554 HydrophobicContact CB-CE1 4.35Å; N552-F554 HydrophobicContact CB-CE2 3.49Å; N552-F554 VanDerWaalsContact CB-CE2 3.49Å; N552-F554 HydrophobicContact CB-CZ 3.5Å
555	Q	49.2	Very low	53.3	Low	69 Å²	69	68.4 Å²	68.4	32%	0.322	36%	0.36	S	S	.	.			trans	-148.3	124.4	167.4	-178.5	179.4	-12.6	0	0	107.1	F433	F433-Q555 HydrophobicContact CB-CB 4.04Å; F433-Q555 VanDerWaalsContact CD2-OE1 3.31Å
556	V	52.6	Low	53.4	Low	6 Å²	6	67.3 Å²	67.3	4%	0.036	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-132	115.8	169.3	-178.7	0	0	0	0	108.4	V368 Q407 F410 I430 H431 L558	V368-V556 HydrophobicContact CG2-CG2 4.39Å; Q407-V556 PolarHBondContact N-O 2.88Å; F410-V556 HydrophobicContact CE2-CB 4.18Å; F410-V556 HydrophobicContact CE2-CG1 4.04Å; F410-V556 HydrophobicContact CE2-CG2 4.28Å; F410-V556 HydrophobicContact CZ-CB 4.3Å; F410-V556 HydrophobicContact CZ-CG1 3.65Å; I430-V556 HydrophobicContact CG2-CG1 3.93Å; I430-V556 HydrophobicContact CG2-CG2 4.41Å; H431-V556 WeakPolarHBondContact O-CA 3.25Å; V556-L558 HydrophobicContact CG1-CD2 4.17Å
557	T	48.6	Very low	53.9	Low	46 Å²	46	63.7 Å²	63.7	28%	0.282	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-105.6	134.9	169.5	-53.9	0	0	0	0	108.5	Q407 H431	Q407-T557 VanDerWaalsContact OE1-CG2 3.32Å; H431-T557 PolarHBondContact CD2-O 3.01Å; H431-T557 VanDerWaalsContact CD2-O 3.23Å; H431-T557 PolarHBondContact N-O 2.77Å
558	L	50.6	Low	54	Low	40 Å²	40	65.6 Å²	65.6	21%	0.209	34%	0.335	C	S	.	.			trans	-107.4	135.1	171.5	-61.5	-173.7	0	0	0	109.6	Q407 C408 V428 A429 I430 L465 V556	Q407-L558 VanDerWaalsContact OE1-N 3.11Å; C408-L558 HydrophobicContact CB-CD1 4.11Å; C408-L558 WeakPolarHBondContact SG-CD1 3.44Å; V428-L558 HydrophobicContact CB-CD1 4.41Å; V428-L558 HydrophobicContact CB-CD2 3.82Å; V428-L558 HydrophobicContact CG1-CD1 4.35Å; V428-L558 HydrophobicContact CG2-CD2 4.27Å; A429-L558 WeakPolarHBondContact O-CA 3.35Å; A429-L558 WeakPolarHBondContact O-CD2 3.31Å; I430-L558 HydrophobicContact CG1-CD2 4.37Å; L465-L558 HydrophobicContact CD1-CD1 3.71Å; V556-L558 HydrophobicContact CG1-CD2 4.17Å
559	S	49.3	Very low	54.5	Low	59 Å²	59	59.9 Å²	59.9	41%	0.413	31%	0.312	S	S	.	.			trans	-117.7	144.1	168.4	63.1	0	0	0	0	110.2	S561	S559-S561 PolarHBondContact O-N 3.11Å
560	D	50.8	Low	54.9	Low	143 Å²	143	64.9 Å²	64.9	77%	0.765	33%	0.328	S	S	*	.			trans	-54.2	135.2	167.2	-66.7	-30.3	0	0	0	109.3
561	S	55.5	Low	55.3	Low	21 Å²	21	65.8 Å²	65.8	15%	0.147	34%	0.336	C	S	.	.			trans	-68.2	148.3	175	82.3	0	0	0	0	109.4	S559 D563 E564	S559-S561 PolarHBondContact O-N 3.11Å; S561-D563 PolarHBondContact O-N 3.15Å; S561-D563 VanDerWaalsContact OG-CB 3.24Å; S561-D563 WeakPolarHBondContact OG-CB 3.43Å; S561-D563 PolarHBondContact OG-N 3.41Å; S561-D563 PolarHBondContact OG-OD2 3.04Å; S561-E564 PolarHBondContact O-N 3.45Å
562	A	59.5	Low	55.3	Low	46 Å²	46	66.7 Å²	66.7	38%	0.38	34%	0.343	S	S	.	.	H	α-helix	trans	-51.6	-21.9	173.2	0	0	0	0	0	112.7	E564 L565 L566 W934	A562-E564 VanDerWaalsContact C-N 3.34Å; A562-E564 PolarHBondContact O-N 3.16Å; A562-L565 PolarHBondContact O-N 3.31Å; A562-L566 WeakPolarHBondContact O-CD1 3.11Å; A562-L566 WeakPolarHBondContact O-CG 3.09Å; A562-L566 PolarHBondContact O-N 3.22Å; A562-L566 VanDerWaalsContact O-N 3.07Å; A562-W934 HydrophobicContact CB-CZ2 3.87Å
563	D	60.1	Low	55.5	Low	52 Å²	52	69.7 Å²	69.7	28%	0.278	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-34.9	176.9	-48.7	-45.9	0	0	0	113	R427 S561 L566 K567	R427-D563 IonicContact NH1-OD2 3.85Å; S561-D563 PolarHBondContact O-N 3.15Å; S561-D563 VanDerWaalsContact OG-CB 3.24Å; S561-D563 WeakPolarHBondContact OG-CB 3.43Å; S561-D563 PolarHBondContact OG-N 3.41Å; S561-D563 PolarHBondContact OG-OD2 3.04Å; D563-L566 PolarHBondContact O-N 3.22Å; D563-K567 WeakPolarHBondContact O-CG 3.24Å; D563-K567 PolarHBondContact O-N 3.41Å
564	E	56.5	Low	55.6	Low	87 Å²	87	69.9 Å²	69.9	41%	0.407	36%	0.364	S	S	.	.	H	α-helix	trans	-70.9	-38.6	178.5	-77.1	-58.3	141.5	0	0	112.2	S561 A562 L566 K567 R568	S561-E564 PolarHBondContact O-N 3.45Å; A562-E564 VanDerWaalsContact C-N 3.34Å; A562-E564 PolarHBondContact O-N 3.16Å; E564-L566 VanDerWaalsContact C-N 3.32Å; E564-L566 PolarHBondContact O-N 3.42Å; E564-K567 PolarHBondContact O-N 3.02Å; E564-K567 IonicContact OE1-NZ 3.38Å; E564-K567 PolarHBondContact OE1-NZ 3.42Å; E564-R568 PolarHBondContact O-N 3.04Å; E564-R568 VanDerWaalsContact O-N 3.13Å
565	L	58.7	Low	55.5	Low	116 Å²	116	73.8 Å²	73.8	61%	0.607	39%	0.385	S	S	*	.	H	α-helix	trans	-64.3	-38.6	172.5	-70.3	169.2	0	0	0	111.3	A562 R568 I569	A562-L565 PolarHBondContact O-N 3.31Å; L565-R568 WeakPolarHBondContact O-CB 3.41Å; L565-R568 PolarHBondContact O-N 3.34Å; L565-I569 PolarHBondContact O-N 2.78Å
566	L	63.5	Low	55.4	Low	11 Å²	11	74.1 Å²	74.1	6%	0.058	41%	0.407	C	S	.	.	H	α-helix	trans	-68.5	-41.1	175.4	-78.6	153	0	0	0	112.9	A562 D563 E564 R568 I569 W570 L900 W928 W934	A562-L566 WeakPolarHBondContact O-CD1 3.11Å; A562-L566 WeakPolarHBondContact O-CG 3.09Å; A562-L566 PolarHBondContact O-N 3.22Å; A562-L566 VanDerWaalsContact O-N 3.07Å; D563-L566 PolarHBondContact O-N 3.22Å; E564-L566 VanDerWaalsContact C-N 3.32Å; E564-L566 PolarHBondContact O-N 3.42Å; L566-R568 PolarHBondContact O-N 3.07Å; L566-I569 HydrophobicContact CD2-CD1 4.35Å; L566-I569 WeakPolarHBondContact O-CB 3.24Å; L566-I569 PolarHBondContact O-N 3.32Å; L566-W570 PolarHBondContact O-N 3.24Å; L566-L900 HydrophobicContact CD2-CD1 4.1Å; L566-L900 HydrophobicContact CD2-CD2 4.05Å; L566-W928 HydrophobicContact CD1-CH2 3.25Å; L566-W928 HydrophobicContact CD1-CZ2 3.06Å; L566-W928 HydrophobicContact CD1-CZ3 4.18Å; L566-W928 HydrophobicContact CD2-CH2 3.53Å; L566-W928 HydrophobicContact CD2-CZ2 4.24Å; L566-W928 HydrophobicContact CD2-CZ3 3.86Å; L566-W928 HydrophobicContact CG-CH2 4.03Å; L566-W928 HydrophobicContact CG-CZ2 4.26Å; L566-W934 HydrophobicContact CD1-CH2 3.96Å; L566-W934 HydrophobicContact CD1-CZ2 4.25Å
567	K	63.8	Low	55.1	Low	119 Å²	119	80.7 Å²	80.7	52%	0.517	44%	0.441	S	S	.	.	H	α-helix	trans	-55.6	-39.2	172.2	-79.5	178.5	-172.6	171	0	110.8	D563 E564 W570 S571	D563-K567 WeakPolarHBondContact O-CG 3.24Å; D563-K567 PolarHBondContact O-N 3.41Å; E564-K567 PolarHBondContact O-N 3.02Å; E564-K567 IonicContact OE1-NZ 3.38Å; E564-K567 PolarHBondContact OE1-NZ 3.42Å; K567-W570 PolarHBondContact O-N 2.92Å; K567-W570 VanDerWaalsContact O-N 3.17Å; K567-S571 WeakPolarHBondContact O-CB 3.26Å; K567-S571 PolarHBondContact O-N 3.5Å; K567-S571 PolarHBondContact O-OG 3.07Å
568	R	59	Low	55.1	Low	166 Å²	166	85.1 Å²	85.1	63%	0.626	45%	0.453	S	S	*	.	H	α-helix	trans	-60.8	-45.6	174.4	-76.7	179.7	172.6	176.6	-0.7	112.2	E564 L565 L566 W570 S571 L572	E564-R568 PolarHBondContact O-N 3.04Å; E564-R568 VanDerWaalsContact O-N 3.13Å; L565-R568 WeakPolarHBondContact O-CB 3.41Å; L565-R568 PolarHBondContact O-N 3.34Å; L566-R568 PolarHBondContact O-N 3.07Å; R568-W570 PolarHBondContact O-N 3.25Å; R568-S571 WeakPolarHBondContact CA-OG 3.3Å; R568-S571 PolarHBondContact O-N 2.8Å; R568-S571 VanDerWaalsContact O-N 3.1Å; R568-S571 PolarHBondContact O-OG 3.25Å; R568-L572 HydrophobicContact CB-CD1 4.49Å; R568-L572 WeakPolarHBondContact O-CB 3.43Å; R568-L572 WeakPolarHBondContact O-CD1 3.36Å; R568-L572 VanDerWaalsContact O-CG 3.29Å; R568-L572 WeakPolarHBondContact O-CG 3.45Å; R568-L572 PolarHBondContact O-N 3.19Å
569	I	60.8	Low	54.8	Low	62 Å²	62	89.4 Å²	89.4	32%	0.318	48%	0.475	S	S	.	.	H	α-helix	trans	-55.4	-37.7	174.8	-64.6	172.2	0	0	0	111.1	L565 L566 L900	L565-I569 PolarHBondContact O-N 2.78Å; L566-I569 HydrophobicContact CD2-CD1 4.35Å; L566-I569 WeakPolarHBondContact O-CB 3.24Å; L566-I569 PolarHBondContact O-N 3.32Å; I569-L900 HydrophobicContact CD1-CD1 3.99Å
570	W	62.6	Low	54.7	Low	116 Å²	116	95 Å²	95	44%	0.439	50%	0.495	S	S	.	.	H	α-helix	trans	-81.5	-27.2	-178.4	-61.5	19.9	0	0	0	112	L566 K567 R568 L572 Q925	L566-W570 PolarHBondContact O-N 3.24Å; K567-W570 PolarHBondContact O-N 2.92Å; K567-W570 VanDerWaalsContact O-N 3.17Å; R568-W570 PolarHBondContact O-N 3.25Å; W570-L572 VanDerWaalsContact C-N 3.29Å; W570-L572 PolarHBondContact O-N 3.16Å; W570-Q925 HydrophobicContact CH2-CB 4Å; W570-Q925 HydrophobicContact CH2-CG 3.79Å; W570-Q925 HydrophobicContact CZ2-CB 4.37Å; W570-Q925 HydrophobicContact CZ3-CG 4.28Å
571	S	56.9	Low	54.4	Low	57 Å²	57	96.6 Å²	96.6	40%	0.399	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-7	178	76	0	0	0	0	114.5	K567 R568 R578	K567-S571 WeakPolarHBondContact O-CB 3.26Å; K567-S571 PolarHBondContact O-N 3.5Å; K567-S571 PolarHBondContact O-OG 3.07Å; R568-S571 WeakPolarHBondContact CA-OG 3.3Å; R568-S571 PolarHBondContact O-N 2.8Å; R568-S571 VanDerWaalsContact O-N 3.1Å; R568-S571 PolarHBondContact O-OG 3.25Å; S571-R578 PolarHBondContact O-NH2 2.75Å; S571-R578 PolarHBondContact OG-NH2 2.94Å
572	L	51.8	Low	53.8	Low	99 Å²	99	102 Å²	102	52%	0.518	53%	0.53	S	S	.	.			trans	-109.2	-2.2	-162.7	-87.6	167.3	0	0	0	116.2	R568 W570 A574 R578	R568-L572 HydrophobicContact CB-CD1 4.49Å; R568-L572 WeakPolarHBondContact O-CB 3.43Å; R568-L572 WeakPolarHBondContact O-CD1 3.36Å; R568-L572 VanDerWaalsContact O-CG 3.29Å; R568-L572 WeakPolarHBondContact O-CG 3.45Å; R568-L572 PolarHBondContact O-N 3.19Å; W570-L572 VanDerWaalsContact C-N 3.29Å; W570-L572 PolarHBondContact O-N 3.16Å; L572-A574 PolarHBondContact O-N 3.05Å; L572-R578 VanDerWaalsContact CD2-CZ 3.43Å
573	D	54.2	Low	53.3	Low	97 Å²	97	105.4 Å²	105.4	52%	0.519	54%	0.538	S	S	.	.			trans	-79.8	1.5	176.6	-81.7	6.3	0	0	0	114.2	I575 K921	D573-I575 PolarHBondContact O-N 2.88Å; D573-K921 IonicContact OD1-NZ 3.06Å; D573-K921 PolarHBondContact OD1-NZ 2.92Å; D573-K921 IonicContact OD2-NZ 3.19Å; D573-K921 PolarHBondContact OD2-NZ 2.75Å
574	A	50.7	Low	52.5	Low	43 Å²	43	111.9 Å²	111.9	36%	0.355	56%	0.564	S	S	.	*			trans	-83.9	84.2	-176	0	0	0	0	0	110.6	L572 G576 L577	L572-A574 PolarHBondContact O-N 3.05Å; A574-G576 PolarHBondContact O-N 3.37Å; A574-G576 VanDerWaalsContact O-N 3.09Å; A574-L577 HydrophobicContact CB-CB 4.03Å; A574-L577 HydrophobicContact CB-CD1 4.18Å
575	I	50.9	Low	52.4	Low	94 Å²	94	113.7 Å²	113.7	48%	0.482	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.3	113.1	170.4	-59.7	174.1	0	0	0	108.2	D573 L577 V717	D573-I575 PolarHBondContact O-N 2.88Å; I575-L577 PolarHBondContact O-N 3.02Å; I575-V717 HydrophobicContact CG2-CG1 3.95Å; I575-V717 HydrophobicContact CG2-CG2 4.47Å
576	G	47.7	Very low	52.9	Low	76 Å²	76	109.9 Å²	109.9	78%	0.784	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.9	11.5	170.4	0	0	0	0	0	117.7	A574	A574-G576 PolarHBondContact O-N 3.37Å; A574-G576 VanDerWaalsContact O-N 3.09Å
577	L	45.5	Very low	53.8	Low	144 Å²	144	116 Å²	116	75%	0.754	59%	0.594	S	S	*	*			trans	-109	12.3	-178.2	-62.2	170.9	0	0	0	114.8	A574 I575	A574-L577 HydrophobicContact CB-CB 4.03Å; A574-L577 HydrophobicContact CB-CD1 4.18Å; I575-L577 PolarHBondContact O-N 3.02Å
578	R	49.7	Very low	55	Low	140 Å²	140	111.2 Å²	111.2	53%	0.528	58%	0.575	S	S	.	*	S	Bend	trans	-93.3	130.4	171	-69.1	-176.2	179	-163.9	-5.4	108.7	S571 L572 E580	S571-R578 PolarHBondContact O-NH2 2.75Å; S571-R578 PolarHBondContact OG-NH2 2.94Å; L572-R578 VanDerWaalsContact CD2-CZ 3.43Å; R578-E580 PolarHBondContact O-N 3.28Å
579	D	44.3	Very low	56.5	Low	129 Å²	129	104.9 Å²	104.9	69%	0.69	55%	0.553	S	S	*	*			trans	-53.5	113.8	166.7	-73.2	-18.4	0	0	0	107.2	R183 E581	R183-D579 IonicContact NH1-OD2 2.74Å; D579-E581 VanDerWaalsContact C-N 3.34Å; D579-E581 PolarHBondContact O-N 3.13Å
580	E	46.1	Very low	57.9	Low	177 Å²	177	108.4 Å²	108.4	83%	0.827	57%	0.566	S	S	*	*			trans	-63	101.6	166.7	-72.2	-172.6	171.3	0	0	106.2	R578 V582	R578-E580 PolarHBondContact O-N 3.28Å; E580-V582 VanDerWaalsContact C-N 3.35Å; E580-V582 PolarHBondContact O-N 3.25Å
581	E	44.2	Very low	59.2	Low	176 Å²	176	108.4 Å²	108.4	82%	0.822	57%	0.566	S	S	*	*			trans	-58.9	107.5	162.1	-76.9	-170.5	171.4	0	0	105.9	D579 E583	D579-E581 VanDerWaalsContact C-N 3.34Å; D579-E581 PolarHBondContact O-N 3.13Å; E581-E583 PolarHBondContact O-N 3.4Å
582	V	43.9	Very low	61	Low	136 Å²	136	106.2 Å²	106.2	82%	0.824	55%	0.549	S	S	*	.			trans	-59.2	94.9	172.6	179.5	0	0	0	0	106.5	E580 K584	E580-V582 VanDerWaalsContact C-N 3.35Å; E580-V582 PolarHBondContact O-N 3.25Å; V582-K584 PolarHBondContact O-N 2.98Å
583	E	47.9	Very low	63	Low	117 Å²	117	106.5 Å²	106.5	55%	0.547	55%	0.548	S	S	.	.			trans	-61	113.1	-177.9	-81.4	-168.6	163.8	0	0	108.3	E581 P710 P711	E581-E583 PolarHBondContact O-N 3.4Å; E583-P710 VanDerWaalsContact OE2-CB 3.3Å; E583-P710 WeakPolarHBondContact OE2-CB 3.38Å; E583-P711 WeakPolarHBondContact OE1-CD 3.32Å
584	K	44.2	Very low	64.8	Low	187 Å²	187	107.6 Å²	107.6	81%	0.813	55%	0.554	S	S	*	*			trans	-52.7	138.8	167.6	-72	179.7	178.4	177	0	108	V582 S586	V582-K584 PolarHBondContact O-N 2.98Å; K584-S586 PolarHBondContact O-N 3.31Å
585	P	53.4	Low	66.9	Low	125 Å²	125	107.1 Å²	107.1	81%	0.812	55%	0.548	S	S	*	.			trans	-50.6	110.9	177.2	-19.3	25.8	0	0	0	109.1
586	S	69.3	Low	69.1	Low	37 Å²	37	103.3 Å²	103.3	26%	0.259	53%	0.529	S	S	.	.			trans	-64	148.7	-177.3	66.5	0	0	0	0	108.9	K584 V588 M589 K590	K584-S586 PolarHBondContact O-N 3.31Å; S586-V588 PolarHBondContact O-N 3.33Å; S586-M589 WeakPolarHBondContact O-CB 3.39Å; S586-M589 PolarHBondContact O-N 3.26Å; S586-M589 PolarHBondContact OG-N 2.99Å; S586-K590 PolarHBondContact O-N 3.08Å
587	Q	84	Confident	71.4	Confident	139 Å²	139	102.6 Å²	102.6	65%	0.65	51%	0.512	S	S	*	.	H	α-helix	trans	-52.8	-27	173.8	-168.9	177.8	19.5	0	0	111.7	R591	Q587-R591 WeakPolarHBondContact O-CG 3.36Å; Q587-R591 PolarHBondContact O-N 3.35Å; Q587-R591 VanDerWaalsContact O-N 3.14Å
588	V	88.2	Confident	73.9	Confident	18 Å²	18	99.2 Å²	99.2	11%	0.109	49%	0.491	C	S	.	.	H	α-helix	trans	-65.1	-43.3	174.8	-175.2	0	0	0	0	112.2	S586 K590 R591 F592 P608 E707 F781	S586-V588 PolarHBondContact O-N 3.33Å; V588-K590 VanDerWaalsContact C-N 3.33Å; V588-K590 PolarHBondContact O-N 3.35Å; V588-R591 PolarHBondContact O-N 3.13Å; V588-F592 WeakPolarHBondContact O-CB 3.25Å; V588-F592 PolarHBondContact O-N 3.41Å; V588-P608 HydrophobicContact CG1-CB 4.05Å; V588-E707 HydrophobicContact CG1-CB 4.39Å; V588-E707 HydrophobicContact CG2-CB 3.94Å; V588-E707 HydrophobicContact CG2-CG 3.94Å; V588-F781 HydrophobicContact CG1-CE1 3.87Å; V588-F781 HydrophobicContact CG1-CZ 4.1Å
589	M	89.9	Confident	76	Confident	34 Å²	34	97.9 Å²	97.9	17%	0.167	50%	0.495	C	S	.	.	H	α-helix	trans	-60.9	-42.5	176.7	-77.8	-59.8	-60.3	0	0	112.2	S586 F592 Q593 P710 L712 F781	S586-M589 WeakPolarHBondContact O-CB 3.39Å; S586-M589 PolarHBondContact O-N 3.26Å; S586-M589 PolarHBondContact OG-N 2.99Å; M589-F592 HydrophobicContact CE-CD1 4.5Å; M589-F592 WeakPolarHBondContact O-CB 3.41Å; M589-F592 PolarHBondContact O-N 3.44Å; M589-Q593 WeakPolarHBondContact O-CG 3.33Å; M589-Q593 PolarHBondContact O-N 3.1Å; M589-P710 HydrophobicContact CG-CG 3.73Å; M589-P710 HydrophobicContact SD-CG 3.82Å; M589-L712 HydrophobicContact CE-CD1 4.45Å; M589-L712 HydrophobicContact SD-CD1 4.12Å; M589-L712 HydrophobicContact SD-CD2 4.27Å; M589-F781 HydrophobicContact SD-CD2 4.46Å; M589-F781 HydrophobicContact SD-CE2 3.43Å; M589-F781 WeakPolarHBondContact SD-CE2 3.33Å; M589-F781 HydrophobicContact SD-CZ 4.01Å
590	K	89.7	Confident	78.3	Confident	136 Å²	136	94.1 Å²	94.1	59%	0.591	49%	0.487	S	S	*	.	H	α-helix	trans	-62.4	-48.9	177.3	-172.9	176.7	178.9	179.6	0	111	S586 V588 F592 Q593 D594	S586-K590 PolarHBondContact O-N 3.08Å; V588-K590 VanDerWaalsContact C-N 3.33Å; V588-K590 PolarHBondContact O-N 3.35Å; K590-F592 VanDerWaalsContact C-N 3.27Å; K590-F592 PolarHBondContact O-N 2.93Å; K590-Q593 PolarHBondContact O-N 3.08Å; K590-Q593 VanDerWaalsContact O-N 3.15Å; K590-D594 WeakPolarHBondContact O-CB 3.37Å; K590-D594 PolarHBondContact O-N 2.93Å
591	R	91.2	Very high	80.5	Confident	116 Å²	116	93 Å²	93	44%	0.438	48%	0.481	S	S	.	.	H	α-helix	trans	-58.8	-37.7	175.6	-70.7	176.9	-174.3	173.9	5.5	112.6	Q587 V588 S595	Q587-R591 WeakPolarHBondContact O-CG 3.36Å; Q587-R591 PolarHBondContact O-N 3.35Å; Q587-R591 VanDerWaalsContact O-N 3.14Å; V588-R591 PolarHBondContact O-N 3.13Å; R591-S595 VanDerWaalsContact O-CB 3.27Å; R591-S595 WeakPolarHBondContact O-CB 3.37Å; R591-S595 PolarHBondContact O-N 3.35Å; R591-S595 VanDerWaalsContact O-N 3.12Å; R591-S595 PolarHBondContact O-OG 3.31Å
592	F	94.9	Very high	82.9	Confident	10 Å²	10	87.5 Å²	87.5	4%	0.044	45%	0.453	C	S	.	.	H	α-helix	trans	-62.6	-51.4	174	164.8	-99.3	0	0	0	111.2	V588 M589 K590 D594 S595 V596 V605 F781 L782 A785 V786 L789	V588-F592 WeakPolarHBondContact O-CB 3.25Å; V588-F592 PolarHBondContact O-N 3.41Å; M589-F592 HydrophobicContact CE-CD1 4.5Å; M589-F592 WeakPolarHBondContact O-CB 3.41Å; M589-F592 PolarHBondContact O-N 3.44Å; K590-F592 VanDerWaalsContact C-N 3.27Å; K590-F592 PolarHBondContact O-N 2.93Å; F592-D594 VanDerWaalsContact C-N 3.28Å; F592-D594 PolarHBondContact O-N 2.99Å; F592-S595 PolarHBondContact O-N 2.86Å; F592-S595 VanDerWaalsContact O-N 3.14Å; F592-S595 PolarHBondContact O-OG 2.89Å; F592-V596 HydrophobicContact CD2-CB 4.43Å; F592-V596 HydrophobicContact CE1-CG1 4.33Å; F592-V596 HydrophobicContact CE2-CB 4.03Å; F592-V596 HydrophobicContact CE2-CG2 4.13Å; F592-V596 HydrophobicContact CZ-CB 4.18Å; F592-V596 HydrophobicContact CZ-CG1 4.23Å; F592-V596 HydrophobicContact CZ-CG2 4.15Å; F592-V596 WeakPolarHBondContact O-CB 3.39Å; F592-V596 VanDerWaalsContact O-CG1 3.28Å; F592-V596 WeakPolarHBondContact O-CG1 3.49Å; F592-V596 PolarHBondContact O-N 2.67Å; F592-V605 HydrophobicContact CE2-CG1 3.88Å; F592-F781 HydrophobicContact CB-CZ 3.94Å; F592-F781 HydrophobicContact CD2-CZ 4.47Å; F592-F781 HydrophobicContact CG-CZ 4.12Å; F592-L782 HydrophobicContact CD2-CD2 3.73Å; F592-L782 HydrophobicContact CE2-CD2 4.17Å; F592-A785 HydrophobicContact CD1-CB 4.02Å; F592-A785 HydrophobicContact CD2-CB 4.49Å; F592-A785 HydrophobicContact CE1-CB 3.51Å; F592-A785 HydrophobicContact CE2-CB 4.02Å; F592-A785 HydrophobicContact CG-CB 4.49Å; F592-A785 HydrophobicContact CZ-CB 3.51Å; F592-V786 HydrophobicContact CE2-CG2 3.83Å; F592-V786 HydrophobicContact CZ-CG2 3.77Å; F592-L789 HydrophobicContact CE1-CD2 4.33Å; F592-L789 HydrophobicContact CZ-CD2 4.41Å
593	Q	92.8	Very high	85.5	Confident	106 Å²	106	81.1 Å²	81.1	50%	0.495	41%	0.414	S	S	.	.	H	α-helix	trans	-59.9	-38.2	178.9	-72.7	176.4	-11.7	0	0	112.4	M589 K590 S595	M589-Q593 WeakPolarHBondContact O-CG 3.33Å; M589-Q593 PolarHBondContact O-N 3.1Å; K590-Q593 PolarHBondContact O-N 3.08Å; K590-Q593 VanDerWaalsContact O-N 3.15Å; Q593-S595 VanDerWaalsContact C-N 3.32Å; Q593-S595 PolarHBondContact O-N 3.08Å
594	D	93.3	Very high	87.9	Confident	119 Å²	119	76.8 Å²	76.8	64%	0.636	40%	0.396	S	S	*	.	H	α-helix	trans	-73.2	-22.6	179.5	-65.1	-18.9	0	0	0	113	K590 F592	K590-D594 WeakPolarHBondContact O-CB 3.37Å; K590-D594 PolarHBondContact O-N 2.93Å; F592-D594 VanDerWaalsContact C-N 3.28Å; F592-D594 PolarHBondContact O-N 2.99Å
595	S	93.4	Very high	90.5	Very high	34 Å²	34	67.9 Å²	67.9	24%	0.238	36%	0.357	C	S	.	.	H	α-helix	trans	-111.2	-14	-173.4	64	0	0	0	0	115.1	R591 F592 Q593	R591-S595 VanDerWaalsContact O-CB 3.27Å; R591-S595 WeakPolarHBondContact O-CB 3.37Å; R591-S595 PolarHBondContact O-N 3.35Å; R591-S595 VanDerWaalsContact O-N 3.12Å; R591-S595 PolarHBondContact O-OG 3.31Å; F592-S595 PolarHBondContact O-N 2.86Å; F592-S595 VanDerWaalsContact O-N 3.14Å; F592-S595 PolarHBondContact O-OG 2.89Å; Q593-S595 VanDerWaalsContact C-N 3.32Å; Q593-S595 PolarHBondContact O-N 3.08Å
596	V	96.9	Very high	92.5	Very high	14 Å²	14	67.3 Å²	67.3	9%	0.085	34%	0.339	C	S	.	.			trans	-76.5	128.2	178.4	65.6	0	0	0	0	111	F592 Y603 T604 V605 V786 L789	F592-V596 HydrophobicContact CD2-CB 4.43Å; F592-V596 HydrophobicContact CE1-CG1 4.33Å; F592-V596 HydrophobicContact CE2-CB 4.03Å; F592-V596 HydrophobicContact CE2-CG2 4.13Å; F592-V596 HydrophobicContact CZ-CB 4.18Å; F592-V596 HydrophobicContact CZ-CG1 4.23Å; F592-V596 HydrophobicContact CZ-CG2 4.15Å; F592-V596 WeakPolarHBondContact O-CB 3.39Å; F592-V596 VanDerWaalsContact O-CG1 3.28Å; F592-V596 WeakPolarHBondContact O-CG1 3.49Å; F592-V596 PolarHBondContact O-N 2.67Å; V596-Y603 HydrophobicContact CG2-CD1 3.82Å; V596-T604 WeakPolarHBondContact CA-O 3.5Å; V596-V605 HydrophobicContact CG2-CG1 4.09Å; V596-V786 HydrophobicContact CG2-CG2 4.41Å; V596-L789 HydrophobicContact CG1-CD2 3.57Å; V596-L789 HydrophobicContact CG2-CD2 4.26Å
597	S	97	Very high	93.7	Very high	60 Å²	60	65.9 Å²	65.9	42%	0.42	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	158.7	176.1	65.4	0	0	0	0	111.2	Y603 T604	S597-Y603 CarbonylContact O-C 3.59Å; S597-Y603 VanDerWaalsContact O-CA 3.25Å; S597-Y603 WeakPolarHBondContact O-CA 3.48Å; S597-T604 PolarHBondContact N-O 3.46Å; S597-T604 PolarHBondContact O-N 3.49Å
598	F	97	Very high	94.2	Very high	74 Å²	74	60.2 Å²	60.2	33%	0.325	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	123.5	178.1	-177.8	-118.6	0	0	0	108.5	G600 R602 Y603 R837	F598-G600 VanDerWaalsContact C-N 3.31Å; F598-G600 WeakPolarHBondContact CZ-O 3.41Å; F598-R602 VanDerWaalsContact CD2-C 3.44Å; F598-R602 VanDerWaalsContact CD2-O 3.31Å; F598-R602 WeakPolarHBondContact CD2-O 3.4Å; F598-Y603 HydrophobicContact CB-CD1 3.81Å; F598-Y603 HydrophobicContact CB-CE1 3.7Å; F598-Y603 HydrophobicContact CB-CG 4.43Å; F598-Y603 AromaticContact CD2-CD1 3.96Å; F598-Y603 HydrophobicContact CD2-CD1 3.96Å; F598-Y603 AromaticContact CD2-CD2 3.53Å; F598-Y603 HydrophobicContact CD2-CD2 3.53Å; F598-Y603 AromaticContact CD2-CE1 3.97Å; F598-Y603 HydrophobicContact CD2-CE1 3.97Å; F598-Y603 AromaticContact CD2-CE2 3.53Å; F598-Y603 HydrophobicContact CD2-CE2 3.53Å; F598-Y603 AromaticContact CD2-CG 3.76Å; F598-Y603 HydrophobicContact CD2-CG 3.76Å; F598-Y603 AromaticContact CD2-CZ 3.77Å; F598-Y603 AromaticContact CE2-CD2 3.93Å; F598-Y603 HydrophobicContact CE2-CD2 3.93Å; F598-Y603 AromaticContact CE2-CE2 3.8Å; F598-Y603 HydrophobicContact CE2-CE2 3.8Å; F598-Y603 HydrophobicContact CG-CD1 4.24Å; F598-Y603 HydrophobicContact CG-CD2 4.48Å; F598-Y603 AromaticContact CG-CE1 4Å; F598-Y603 HydrophobicContact CG-CE1 4Å; F598-Y603 HydrophobicContact CG-CE2 4.23Å; F598-Y603 HydrophobicContact CG-CG 4.5Å; F598-Y603 AromaticContact CG-CZ 3.99Å; F598-R837 WeakPolarHBondContact CZ-O 3.38Å
599	D	94.5	Very high	94.4	Very high	111 Å²	111	60.8 Å²	60.8	59%	0.594	30%	0.304	S	S	*	.			trans	-89.1	4.5	-177	64.5	15.7	0	0	0	113.5	Q601 R602	D599-Q601 WeakPolarHBondContact OD1-CA 3.48Å; D599-Q601 PolarHBondContact OD1-N 2.73Å; D599-R602 PolarHBondContact N-O 3.29Å; D599-R602 VanDerWaalsContact N-O 3.13Å; D599-R602 PolarHBondContact OD1-N 3.1Å
600	G	93	Very high	94.4	Very high	51 Å²	51	63.7 Å²	63.7	53%	0.526	32%	0.316	S	S	.	.	S	Bend	trans	97.9	-17	-173.7	0	0	0	0	0	114	F598	F598-G600 VanDerWaalsContact C-N 3.31Å; F598-G600 WeakPolarHBondContact CZ-O 3.41Å
601	Q	92.7	Very high	93.9	Very high	153 Å²	153	60.4 Å²	60.4	72%	0.715	31%	0.309	S	S	*	.	S	Bend	trans	-123.3	-32.8	177.4	-61	-173.9	7.7	0	0	112.7	D599 G838 G839	D599-Q601 WeakPolarHBondContact OD1-CA 3.48Å; D599-Q601 PolarHBondContact OD1-N 2.73Å; Q601-G838 CarbonylContact O-C 3.57Å; Q601-G839 WeakPolarHBondContact O-CA 3.48Å; Q601-G839 PolarHBondContact O-N 3.25Å
602	R	94.8	Very high	93	Very high	60 Å²	60	63.4 Å²	63.4	23%	0.226	33%	0.328	C	S	.	.			trans	-149	147.2	-171.4	-166.3	167.4	-61.1	-171.7	8.2	112	F598 D599 Q740 A742 R771	F598-R602 VanDerWaalsContact CD2-C 3.44Å; F598-R602 VanDerWaalsContact CD2-O 3.31Å; F598-R602 WeakPolarHBondContact CD2-O 3.4Å; D599-R602 PolarHBondContact N-O 3.29Å; D599-R602 VanDerWaalsContact N-O 3.13Å; D599-R602 PolarHBondContact OD1-N 3.1Å; R602-Q740 WeakPolarHBondContact CD-O 3.48Å; R602-Q740 WeakPolarHBondContact CG-O 3.35Å; R602-Q740 PolarHBondContact NE-O 3.18Å; R602-A742 HydrophobicContact CG-CB 4.36Å; R602-R771 VanDerWaalsContact NH1-NH2 3.19Å
603	Y	98	Very high	91.8	Very high	3 Å²	3	64.2 Å²	64.2	1%	0.012	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	140	172.2	-73.8	-90	0	0	0	111.7	V596 S597 F598 A742 V786 L789 H790 F840	V596-Y603 HydrophobicContact CG2-CD1 3.82Å; S597-Y603 CarbonylContact O-C 3.59Å; S597-Y603 VanDerWaalsContact O-CA 3.25Å; S597-Y603 WeakPolarHBondContact O-CA 3.48Å; F598-Y603 HydrophobicContact CB-CD1 3.81Å; F598-Y603 HydrophobicContact CB-CE1 3.7Å; F598-Y603 HydrophobicContact CB-CG 4.43Å; F598-Y603 AromaticContact CD2-CD1 3.96Å; F598-Y603 HydrophobicContact CD2-CD1 3.96Å; F598-Y603 AromaticContact CD2-CD2 3.53Å; F598-Y603 HydrophobicContact CD2-CD2 3.53Å; F598-Y603 AromaticContact CD2-CE1 3.97Å; F598-Y603 HydrophobicContact CD2-CE1 3.97Å; F598-Y603 AromaticContact CD2-CE2 3.53Å; F598-Y603 HydrophobicContact CD2-CE2 3.53Å; F598-Y603 AromaticContact CD2-CG 3.76Å; F598-Y603 HydrophobicContact CD2-CG 3.76Å; F598-Y603 AromaticContact CD2-CZ 3.77Å; F598-Y603 AromaticContact CE2-CD2 3.93Å; F598-Y603 HydrophobicContact CE2-CD2 3.93Å; F598-Y603 AromaticContact CE2-CE2 3.8Å; F598-Y603 HydrophobicContact CE2-CE2 3.8Å; F598-Y603 HydrophobicContact CG-CD1 4.24Å; F598-Y603 HydrophobicContact CG-CD2 4.48Å; F598-Y603 AromaticContact CG-CE1 4Å; F598-Y603 HydrophobicContact CG-CE1 4Å; F598-Y603 HydrophobicContact CG-CE2 4.23Å; F598-Y603 HydrophobicContact CG-CG 4.5Å; F598-Y603 AromaticContact CG-CZ 3.99Å; Y603-A742 WeakPolarHBondContact O-CB 3.41Å; Y603-A742 PolarHBondContact O-N 3.44Å; Y603-V786 HydrophobicContact CD1-CG1 4.21Å; Y603-V786 HydrophobicContact CD2-CG1 3.5Å; Y603-V786 HydrophobicContact CE2-CG1 4.19Å; Y603-V786 HydrophobicContact CG-CG1 3.49Å; Y603-V786 VanDerWaalsContact CG-CG1 3.49Å; Y603-L789 HydrophobicContact CE1-CD2 4.17Å; Y603-H790 HydrophobicContact CE2-CB 3.64Å; Y603-H790 AromaticContact CE2-CG 3.71Å; Y603-H790 AromaticContact CE2-ND1 3.37Å; Y603-H790 WeakPolarHBondContact CE2-ND1 3.28Å; Y603-H790 AromaticContact CZ-ND1 3.65Å; Y603-H790 WeakPolarHBondContact OH-CA 3.33Å; Y603-H790 WeakPolarHBondContact OH-CB 3.46Å; Y603-H790 PolarHBondContact OH-ND1 3.4Å; Y603-F840 HydrophobicContact CD2-CE2 4.42Å
604	T	98.1	Very high	91.2	Very high	26 Å²	26	69.7 Å²	69.7	16%	0.16	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.3	170	-57.6	0	0	0	0	109.7	V596 S597 A742 H744	V596-T604 WeakPolarHBondContact CA-O 3.5Å; S597-T604 PolarHBondContact N-O 3.46Å; S597-T604 PolarHBondContact O-N 3.49Å; T604-A742 WeakPolarHBondContact CA-O 3.34Å; T604-A742 HydrophobicContact CG2-CB 4.3Å; T604-A742 WeakPolarHBondContact OG1-CB 3.45Å; T604-H744 HydrophobicContact CG2-CB 4.05Å
605	V	97.7	Very high	91	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	158	179.1	-59.4	0	0	0	0	111.3	F592 V596 I741 A742 L743 H744 L782 V786	F592-V605 HydrophobicContact CE2-CG1 3.88Å; V596-V605 HydrophobicContact CG2-CG1 4.09Å; V605-I741 HydrophobicContact CB-CG2 4.35Å; V605-I741 HydrophobicContact CG1-CG2 3.76Å; V605-I741 HydrophobicContact CG2-CG2 3.72Å; V605-A742 PolarHBondContact N-O 3.27Å; V605-L743 HydrophobicContact CG2-CD1 4.47Å; V605-H744 WeakPolarHBondContact O-CB 3.31Å; V605-H744 PolarHBondContact O-N 2.89Å; V605-L782 HydrophobicContact CB-CD2 4.38Å; V605-L782 HydrophobicContact CG2-CD1 4.13Å; V605-V786 HydrophobicContact CG1-CG2 3.58Å
606	R	95.8	Very high	90.8	Very high	112 Å²	112	64.1 Å²	64.1	42%	0.423	33%	0.325	S	S	.	.			trans	-103.2	151.5	168.5	-62.1	-133.9	-71	-160.1	-2.1	111.2	H744 D746 D747	R606-H744 HydrophobicContact CG-CB 3.73Å; R606-D746 IonicContact NH1-OD2 2.78Å; R606-D747 WeakPolarHBondContact CA-OD2 3.23Å; R606-D747 WeakPolarHBondContact CB-OD2 3.24Å
607	L	95.3	Very high	90.4	Very high	7 Å²	7	67 Å²	67	4%	0.037	34%	0.34	C	S	.	.			trans	-70.9	133.9	173.6	-66.1	-178.7	0	0	0	110	W609 L706 L743 D747 A750 V751 L776	L607-W609 VanDerWaalsContact C-N 3.34Å; L607-W609 HydrophobicContact CB-CZ2 4.41Å; L607-W609 HydrophobicContact CD1-CZ2 4.03Å; L607-W609 PolarHBondContact O-N 3.11Å; L607-L706 HydrophobicContact CB-CD2 3.89Å; L607-L706 HydrophobicContact CD1-CD2 4.32Å; L607-L743 HydrophobicContact CD2-CD1 3.88Å; L607-L743 HydrophobicContact CG-CD1 3.99Å; L607-D747 HydrophobicContact CB-CB 4.37Å; L607-D747 HydrophobicContact CD1-CB 4.03Å; L607-D747 HydrophobicContact CG-CB 3.91Å; L607-D747 PolarHBondContact N-OD2 2.81Å; L607-A750 HydrophobicContact CD1-CB 4.17Å; L607-V751 HydrophobicContact CD1-CG1 4.45Å; L607-L776 HydrophobicContact CD2-CD1 3.89Å
608	P	94	Very high	90.3	Very high	21 Å²	21	64.1 Å²	64.1	14%	0.136	32%	0.32	C	S	.	.			trans	-81.3	79.7	-176.9	34.6	-37.6	0	0	0	110.6	V588 E707 C778	V588-P608 HydrophobicContact CG1-CB 4.05Å; P608-E707 HydrophobicContact CB-CB 4.12Å; P608-E707 HydrophobicContact CG-CB 4.34Å; P608-E707 VanDerWaalsContact CG-O 3.22Å; P608-E707 WeakPolarHBondContact CG-O 3.41Å; P608-E707 PolarHBondContact O-N 3.36Å; P608-C778 HydrophobicContact CG-CB 3.64Å
609	W	92.7	Very high	90.1	Very high	30 Å²	30	63.1 Å²	63.1	11%	0.114	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-64.1	135.7	-179.9	-63	98.8	0	0	0	113	L607 L615 R668 L702 F705 L706 D747 A750	L607-W609 VanDerWaalsContact C-N 3.34Å; L607-W609 HydrophobicContact CB-CZ2 4.41Å; L607-W609 HydrophobicContact CD1-CZ2 4.03Å; L607-W609 PolarHBondContact O-N 3.11Å; W609-L615 HydrophobicContact CH2-CD1 3.93Å; W609-L615 HydrophobicContact CZ3-CD1 4.13Å; W609-R668 VanDerWaalsContact CG-NH1 3.3Å; W609-R668 HydrophobicContact CH2-CB 4.32Å; W609-R668 HydrophobicContact CZ2-CB 4.5Å; W609-R668 VanDerWaalsContact NE1-NH1 3.19Å; W609-L702 HydrophobicContact CH2-CD1 3.99Å; W609-L702 HydrophobicContact CZ3-CD1 4.16Å; W609-F705 HydrophobicContact CE3-CB 4.12Å; W609-F705 HydrophobicContact CZ3-CB 3.98Å; W609-L706 HydrophobicContact CD2-CD2 3.98Å; W609-L706 HydrophobicContact CE3-CD2 3.79Å; W609-L706 HydrophobicContact CH2-CD2 4.27Å; W609-L706 HydrophobicContact CZ2-CD2 4.45Å; W609-L706 HydrophobicContact CZ3-CD2 3.94Å; W609-D747 PolarHBondContact NE1-OD1 3.42Å; W609-A750 HydrophobicContact CH2-CB 3.51Å; W609-A750 HydrophobicContact CZ2-CB 3.62Å
610	K	89.1	Confident	90.1	Very high	95 Å²	95	67.4 Å²	67.4	41%	0.413	32%	0.322	S	S	.	.	S	Bend	trans	-72.3	-39.6	173.3	-64.9	-162.5	-180	148.1	0	112.8	Q704 F705 L706 E707	K610-Q704 WeakPolarHBondContact CD-O 3.21Å; K610-Q704 PolarHBondContact NZ-O 3.35Å; K610-F705 PolarHBondContact N-O 3.07Å; K610-L706 WeakPolarHBondContact CE-O 3.49Å; K610-E707 VanDerWaalsContact CE-OE2 3.29Å; K610-E707 WeakPolarHBondContact CE-OE2 3.48Å; K610-E707 HydrophobicContact CG-CG 3.77Å
611	S	80.1	Confident	90.1	Very high	66 Å²	66	66.7 Å²	66.7	46%	0.462	31%	0.306	S	S	.	.	S	Bend	trans	-150.5	163.4	-178.3	67.7	0	0	0	0	110.4	G613	S611-G613 PolarHBondContact O-N 2.87Å; S611-G613 VanDerWaalsContact O-N 3.13Å
612	E	72.2	Confident	90.3	Very high	179 Å²	179	59.6 Å²	59.6	84%	0.836	27%	0.273	S	S	*	.			trans	-80.6	18.8	-179.9	-60.3	-163.1	156.4	0	0	114.4	R668	E612-R668 VanDerWaalsContact CA-NH2 3.32Å
613	G	69.6	Low	90.3	Very high	28 Å²	28	58.4 Å²	58.4	29%	0.289	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-59.8	152.1	-175.5	0	0	0	0	0	114.4	S611	S611-G613 PolarHBondContact O-N 2.87Å; S611-G613 VanDerWaalsContact O-N 3.13Å
614	R	80.5	Confident	90.1	Very high	220 Å²	220	66.7 Å²	66.7	83%	0.83	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-76.8	138.7	168.3	-69.8	-178	175.4	-179.9	-1.7	109.8
615	L	87.8	Confident	90	Very high	9 Å²	9	71.6 Å²	71.6	5%	0.047	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-85.8	139.2	173.1	-66.4	173.7	0	0	0	109.8	W609 R668 W670 L702 F705 A750	W609-L615 HydrophobicContact CH2-CD1 3.93Å; W609-L615 HydrophobicContact CZ3-CD1 4.13Å; L615-R668 HydrophobicContact CD1-CB 4.12Å; L615-W670 HydrophobicContact CB-CE3 4.18Å; L615-W670 HydrophobicContact CD1-CB 4.02Å; L615-W670 HydrophobicContact CD2-CE3 4.49Å; L615-L702 HydrophobicContact CD1-CD1 3.87Å; L615-F705 HydrophobicContact CD2-CB 4.23Å; L615-F705 HydrophobicContact CD2-CD1 3.95Å; L615-F705 HydrophobicContact CD2-CD2 3.36Å; L615-F705 HydrophobicContact CD2-CE1 4.1Å; L615-F705 HydrophobicContact CD2-CE2 3.53Å; L615-F705 HydrophobicContact CD2-CG 3.58Å; L615-F705 HydrophobicContact CD2-CZ 3.91Å; L615-A750 HydrophobicContact CD1-CB 4.48Å
616	P	89.3	Confident	89.9	Confident	27 Å²	27	71.7 Å²	71.7	18%	0.175	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-68.9	146.2	172.3	27.4	-30.4	0	0	0	110.4	N618 W670 Y697 Q698 V700	P616-N618 PolarHBondContact O-N 3.49Å; P616-W670 HydrophobicContact CG-CZ3 3.96Å; P616-Y697 HydrophobicContact CB-CD1 4.09Å; P616-Y697 HydrophobicContact CB-CE1 4.28Å; P616-Y697 HydrophobicContact CG-CD1 4.24Å; P616-Q698 VanDerWaalsContact CB-OE1 3.3Å; P616-V700 HydrophobicContact CG-CG2 3.53Å
617	N	89.9	Confident	89.8	Confident	75 Å²	75	70.2 Å²	70.2	40%	0.401	32%	0.317	S	S	.	.			trans	-74.8	100.4	179.8	-173.9	-14.7	0	0	0	111.2	Y619 H669 Y697	N617-Y619 VanDerWaalsContact C-N 3.34Å; N617-Y619 PolarHBondContact O-N 3.31Å; N617-Y619 WeakPolarHBondContact OD1-CB 3.03Å; N617-Y619 PolarHBondContact OD1-N 3.31Å; N617-H669 WeakPolarHBondContact CB-NE2 3.37Å; N617-Y697 WeakPolarHBondContact O-CE1 3.43Å
618	N	93.8	Very high	89.7	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	34%	0.341	C	S	.	.			trans	-89.5	15.4	-178.6	77.8	-30.2	0	0	0	114.4	P616 R620 L621 A622 W670 Y671 Y697	P616-N618 PolarHBondContact O-N 3.49Å; N618-R620 VanDerWaalsContact C-N 3.27Å; N618-R620 PolarHBondContact O-N 3.17Å; N618-R620 VanDerWaalsContact O-N 3.15Å; N618-L621 WeakPolarHBondContact O-CB 3.41Å; N618-L621 PolarHBondContact O-N 2.97Å; N618-A622 PolarHBondContact O-N 3.17Å; N618-A622 VanDerWaalsContact O-N 3.15Å; N618-W670 HydrophobicContact CB-CE3 4.31Å; N618-W670 HydrophobicContact CB-CH2 4.18Å; N618-W670 HydrophobicContact CB-CZ2 4.36Å; N618-W670 HydrophobicContact CB-CZ3 4.16Å; N618-W670 WeakPolarHBondContact ND2-CZ2 3.37Å; N618-W670 PolarHBondContact ND2-NE1 3.43Å; N618-Y671 PolarHBondContact ND2-O 2.92Å; N618-Y671 WeakPolarHBondContact OD1-CB 3.45Å; N618-Y671 WeakPolarHBondContact OD1-CD2 3.5Å; N618-Y671 PolarHBondContact OD1-N 2.79Å; N618-Y697 HydrophobicContact CB-CD1 3.61Å; N618-Y697 HydrophobicContact CB-CD2 4.15Å; N618-Y697 HydrophobicContact CB-CE1 4.31Å; N618-Y697 HydrophobicContact CB-CG 3.51Å
619	Y	94.2	Very high	89.7	Confident	53 Å²	53	74.3 Å²	74.3	21%	0.208	34%	0.337	C	S	.	.	H	α-helix	trans	-48.4	-46.4	-177.7	-178.4	-89.5	0	0	0	113	N617 L621 A622 L623 Y671 L754 E763 V766	N617-Y619 VanDerWaalsContact C-N 3.34Å; N617-Y619 PolarHBondContact O-N 3.31Å; N617-Y619 WeakPolarHBondContact OD1-CB 3.03Å; N617-Y619 PolarHBondContact OD1-N 3.31Å; Y619-L621 VanDerWaalsContact C-N 3.27Å; Y619-L621 PolarHBondContact O-N 3.35Å; Y619-A622 PolarHBondContact O-N 2.85Å; Y619-A622 VanDerWaalsContact O-N 3.15Å; Y619-L623 HydrophobicContact CE1-CB 4.38Å; Y619-L623 HydrophobicContact CE1-CD2 4.07Å; Y619-L623 WeakPolarHBondContact O-CB 3.38Å; Y619-L623 PolarHBondContact O-N 2.93Å; Y619-Y671 HydrophobicContact CD2-CD1 4.02Å; Y619-Y671 HydrophobicContact CD2-CD2 4.34Å; Y619-Y671 AromaticContact CD2-CE1 3.69Å; Y619-Y671 HydrophobicContact CD2-CE1 3.69Å; Y619-Y671 HydrophobicContact CD2-CE2 4.05Å; Y619-Y671 HydrophobicContact CD2-CG 4.34Å; Y619-Y671 AromaticContact CD2-CZ 3.72Å; Y619-Y671 HydrophobicContact CE2-CE1 4.28Å; Y619-L754 HydrophobicContact CD2-CD1 4.08Å; Y619-L754 HydrophobicContact CD2-CD2 3.91Å; Y619-L754 HydrophobicContact CE2-CD1 3.82Å; Y619-L754 HydrophobicContact CE2-CD2 3.44Å; Y619-L754 VanDerWaalsContact CE2-CD2 3.44Å; Y619-L754 HydrophobicContact CE2-CG 4.28Å; Y619-E763 PolarHBondContact OH-OE2 3.3Å; Y619-V766 HydrophobicContact CE2-CG2 4.4Å
620	R	93.3	Very high	89.7	Confident	200 Å²	200	74.8 Å²	74.8	76%	0.755	34%	0.341	S	S	*	.	H	α-helix	trans	-60.4	-35.5	180	-69	-174.1	178.4	178.8	0.2	112.9	N618 R624	N618-R620 VanDerWaalsContact C-N 3.27Å; N618-R620 PolarHBondContact O-N 3.17Å; N618-R620 VanDerWaalsContact O-N 3.15Å; R620-R624 WeakPolarHBondContact O-CB 2.93Å; R620-R624 PolarHBondContact O-N 3.06Å; R620-R624 VanDerWaalsContact O-N 3.16Å
621	L	94.4	Very high	89.8	Confident	37 Å²	37	75 Å²	75	19%	0.194	35%	0.346	C	S	.	.	H	α-helix	trans	-68.9	-46.7	175.9	174.7	67	0	0	0	110.7	N618 Y619 L623 R624 R625 A695 L696 Y697	N618-L621 WeakPolarHBondContact O-CB 3.41Å; N618-L621 PolarHBondContact O-N 2.97Å; Y619-L621 VanDerWaalsContact C-N 3.27Å; Y619-L621 PolarHBondContact O-N 3.35Å; L621-L623 VanDerWaalsContact C-N 3.35Å; L621-R624 PolarHBondContact O-N 3.27Å; L621-R625 HydrophobicContact CD1-CG 4.41Å; L621-R625 WeakPolarHBondContact O-CB 3.36Å; L621-R625 VanDerWaalsContact O-CG 3.27Å; L621-R625 WeakPolarHBondContact O-CG 3.39Å; L621-R625 PolarHBondContact O-N 3.29Å; L621-A695 HydrophobicContact CD2-CB 4.43Å; L621-L696 VanDerWaalsContact CD2-O 3.27Å; L621-L696 WeakPolarHBondContact CD2-O 3.32Å; L621-Y697 HydrophobicContact CB-CD2 3.84Å; L621-Y697 HydrophobicContact CB-CE2 4.38Å; L621-Y697 HydrophobicContact CD2-CD2 4.24Å
622	A	95.8	Very high	90.3	Very high	3 Å²	3	79 Å²	79	3%	0.025	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-41.9	179.1	0	0	0	0	0	111.7	N618 Y619 R625 L626 L754	N618-A622 PolarHBondContact O-N 3.17Å; N618-A622 VanDerWaalsContact O-N 3.15Å; Y619-A622 PolarHBondContact O-N 2.85Å; Y619-A622 VanDerWaalsContact O-N 3.15Å; A622-R625 PolarHBondContact O-N 3.49Å; A622-L626 PolarHBondContact O-N 2.9Å; A622-L754 HydrophobicContact CB-CD1 3.95Å; A622-L754 HydrophobicContact CB-CG 4.28Å
623	L	95.2	Very high	91.2	Very high	36 Å²	36	71.3 Å²	71.3	19%	0.188	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-50.7	177	179.1	63.3	0	0	0	111.2	Y619 L621 R625 L626 E627 L754 P764	Y619-L623 HydrophobicContact CE1-CB 4.38Å; Y619-L623 HydrophobicContact CE1-CD2 4.07Å; Y619-L623 WeakPolarHBondContact O-CB 3.38Å; Y619-L623 PolarHBondContact O-N 2.93Å; L621-L623 VanDerWaalsContact C-N 3.35Å; L623-R625 VanDerWaalsContact C-N 3.25Å; L623-R625 PolarHBondContact O-N 2.85Å; L623-L626 WeakPolarHBondContact O-CB 3.37Å; L623-L626 PolarHBondContact O-N 3.12Å; L623-E627 HydrophobicContact CD1-CG 4.47Å; L623-E627 WeakPolarHBondContact O-CG 3.17Å; L623-E627 PolarHBondContact O-N 3.11Å; L623-L754 HydrophobicContact CB-CD1 3.89Å; L623-L754 HydrophobicContact CD1-CD1 4.47Å; L623-P764 HydrophobicContact CD1-CG 3.75Å
624	R	94.3	Very high	92.1	Very high	176 Å²	176	74.7 Å²	74.7	66%	0.664	33%	0.331	S	S	*	.	H	α-helix	trans	-59.1	-37.7	177.9	-171.9	177.2	-177	-177.7	1.8	112.2	R620 L621 L628	R620-R624 WeakPolarHBondContact O-CB 2.93Å; R620-R624 PolarHBondContact O-N 3.06Å; R620-R624 VanDerWaalsContact O-N 3.16Å; L621-R624 PolarHBondContact O-N 3.27Å; R624-L628 VanDerWaalsContact O-CG 3.28Å; R624-L628 WeakPolarHBondContact O-CG 3.23Å; R624-L628 PolarHBondContact O-N 3.05Å; R624-L628 VanDerWaalsContact O-N 3.13Å
625	R	95.6	Very high	92.6	Very high	130 Å²	130	72.9 Å²	72.9	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-67.6	-38.8	176.2	-72.9	-78.2	-164.9	170.5	5.7	111.9	L621 A622 L623 L629 P673	L621-R625 HydrophobicContact CD1-CG 4.41Å; L621-R625 WeakPolarHBondContact O-CB 3.36Å; L621-R625 VanDerWaalsContact O-CG 3.27Å; L621-R625 WeakPolarHBondContact O-CG 3.39Å; L621-R625 PolarHBondContact O-N 3.29Å; A622-R625 PolarHBondContact O-N 3.49Å; L623-R625 VanDerWaalsContact C-N 3.25Å; L623-R625 PolarHBondContact O-N 2.85Å; R625-L629 PolarHBondContact O-N 3.43Å; R625-P673 HydrophobicContact CB-CB 3.97Å; R625-P673 HydrophobicContact CG-CB 3.97Å; R625-P673 HydrophobicContact CG-CG 4.35Å
626	L	95.3	Very high	92.7	Very high	2 Å²	2	75.7 Å²	75.7	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-64.6	-46.7	174.3	177.7	63.5	0	0	0	111.4	A622 L623 L628 L629 E630 L754 P764	A622-L626 PolarHBondContact O-N 2.9Å; L623-L626 WeakPolarHBondContact O-CB 3.37Å; L623-L626 PolarHBondContact O-N 3.12Å; L626-L628 VanDerWaalsContact C-N 3.33Å; L626-L628 PolarHBondContact O-N 3.42Å; L626-L629 CarbonylContact O-C 3.58Å; L626-L629 WeakPolarHBondContact O-CA 3.3Å; L626-L629 WeakPolarHBondContact O-CB 3.49Å; L626-L629 PolarHBondContact O-N 2.95Å; L626-L629 VanDerWaalsContact O-N 3.08Å; L626-E630 HydrophobicContact CD1-CG 4.25Å; L626-E630 HydrophobicContact CG-CG 4.42Å; L626-E630 WeakPolarHBondContact O-CG 3.26Å; L626-E630 PolarHBondContact O-N 3.34Å; L626-L754 HydrophobicContact CD2-CB 3.91Å; L626-P764 HydrophobicContact CD2-CB 3.73Å; L626-P764 HydrophobicContact CD2-CG 4.31Å
627	E	93.6	Very high	92.7	Very high	80 Å²	80	78 Å²	78	37%	0.374	37%	0.365	S	S	.	.	H	α-helix	trans	-60.2	-41.6	178.1	-69	170.1	159.8	0	0	112.2	L623 L629 E630 N631	L623-E627 HydrophobicContact CD1-CG 4.47Å; L623-E627 WeakPolarHBondContact O-CG 3.17Å; L623-E627 PolarHBondContact O-N 3.11Å; E627-L629 VanDerWaalsContact C-N 3.34Å; E627-E630 PolarHBondContact O-N 3.43Å; E627-N631 WeakPolarHBondContact O-CB 3.37Å; E627-N631 VanDerWaalsContact O-CG 3.27Å; E627-N631 PolarHBondContact O-N 3.07Å; E627-N631 PolarHBondContact O-ND2 2.87Å
628	L	93.3	Very high	92.6	Very high	103 Å²	103	81 Å²	81	54%	0.539	37%	0.371	S	S	.	.	H	α-helix	trans	-64.4	-38.4	174.4	-71.7	173	0	0	0	112.2	R624 L626 R632	R624-L628 VanDerWaalsContact O-CG 3.28Å; R624-L628 WeakPolarHBondContact O-CG 3.23Å; R624-L628 PolarHBondContact O-N 3.05Å; R624-L628 VanDerWaalsContact O-N 3.13Å; L626-L628 VanDerWaalsContact C-N 3.33Å; L626-L628 PolarHBondContact O-N 3.42Å; L628-R632 PolarHBondContact O-N 3.38Å
629	L	93.5	Very high	92.4	Very high	12 Å²	12	81.2 Å²	81.2	6%	0.063	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-49.1	173.8	172.1	60.6	0	0	0	110.4	R625 L626 E627 N631 R632 L633 Y643 P676	R625-L629 PolarHBondContact O-N 3.43Å; L626-L629 CarbonylContact O-C 3.58Å; L626-L629 WeakPolarHBondContact O-CA 3.3Å; L626-L629 WeakPolarHBondContact O-CB 3.49Å; L626-L629 PolarHBondContact O-N 2.95Å; L626-L629 VanDerWaalsContact O-N 3.08Å; E627-L629 VanDerWaalsContact C-N 3.34Å; L629-N631 VanDerWaalsContact C-N 3.32Å; L629-N631 PolarHBondContact O-N 2.8Å; L629-R632 CarbonylContact O-C 3.58Å; L629-R632 WeakPolarHBondContact O-CA 3.43Å; L629-R632 VanDerWaalsContact O-CB 3.29Å; L629-R632 WeakPolarHBondContact O-CB 3.45Å; L629-R632 PolarHBondContact O-N 3Å; L629-L633 HydrophobicContact CD1-CD1 4.32Å; L629-L633 HydrophobicContact CD1-CD2 4.07Å; L629-L633 HydrophobicContact CD1-CG 4.01Å; L629-L633 HydrophobicContact CG-CD1 4.08Å; L629-L633 HydrophobicContact CG-CG 4.2Å; L629-L633 WeakPolarHBondContact O-CG 3.5Å; L629-L633 PolarHBondContact O-N 3.33Å; L629-Y643 HydrophobicContact CD2-CD2 4.46Å; L629-Y643 HydrophobicContact CD2-CE1 4.42Å; L629-Y643 HydrophobicContact CD2-CE2 3.74Å; L629-P676 VanDerWaalsContact CD1-CD 3.45Å; L629-P676 HydrophobicContact CD1-CG 4.01Å
630	E	92.6	Very high	92.2	Very high	40 Å²	40	80.1 Å²	80.1	19%	0.187	37%	0.374	C	S	.	.	H	α-helix	trans	-58.5	-43	179.3	-71.2	169.7	158.6	0	0	112	L626 E627 R632 L633 T634 R756	L626-E630 HydrophobicContact CD1-CG 4.25Å; L626-E630 HydrophobicContact CG-CG 4.42Å; L626-E630 WeakPolarHBondContact O-CG 3.26Å; L626-E630 PolarHBondContact O-N 3.34Å; E627-E630 PolarHBondContact O-N 3.43Å; E630-R632 PolarHBondContact O-N 3.39Å; E630-L633 PolarHBondContact O-N 2.87Å; E630-T634 WeakPolarHBondContact O-CG2 3.48Å; E630-T634 PolarHBondContact O-N 3.27Å; E630-R756 VanDerWaalsContact CD-NE 3.33Å; E630-R756 WeakPolarHBondContact OE1-CD 3.21Å; E630-R756 WeakPolarHBondContact OE1-CG 3.32Å; E630-R756 IonicContact OE1-CZ 2.88Å; E630-R756 IonicContact OE1-NE 3.28Å; E630-R756 PolarHBondContact OE1-NE 3.31Å; E630-R756 IonicContact OE1-NH2 3.7Å; E630-R756 IonicContact OE2-CZ 3.76Å; E630-R756 VanDerWaalsContact OE2-CZ 3.32Å; E630-R756 IonicContact OE2-NE 3.12Å; E630-R756 PolarHBondContact OE2-NE 2.91Å; E630-R756 VanDerWaalsContact OE2-NE 3.17Å; E630-R756 IonicContact OE2-NH2 3.36Å; E630-R756 PolarHBondContact OE2-NH2 3.36Å
631	N	91	Very high	92.1	Very high	98 Å²	98	78.5 Å²	78.5	52%	0.524	37%	0.368	S	S	.	.	H	α-helix	trans	-61.4	-25.1	173.1	-75.2	-28.3	0	0	0	113.8	E627 L629 T634	E627-N631 WeakPolarHBondContact O-CB 3.37Å; E627-N631 VanDerWaalsContact O-CG 3.27Å; E627-N631 PolarHBondContact O-N 3.07Å; E627-N631 PolarHBondContact O-ND2 2.87Å; L629-N631 VanDerWaalsContact C-N 3.32Å; L629-N631 PolarHBondContact O-N 2.8Å; N631-T634 PolarHBondContact O-OG1 2.89Å
632	R	90.9	Very high	91.9	Very high	150 Å²	150	78.5 Å²	78.5	57%	0.566	37%	0.368	S	S	*	.	H	α-helix	trans	-81.2	-40.8	171.3	-178.7	-177	175.5	-174.3	-0.1	111	L628 L629 E630 T634 K635	L628-R632 PolarHBondContact O-N 3.38Å; L629-R632 CarbonylContact O-C 3.58Å; L629-R632 WeakPolarHBondContact O-CA 3.43Å; L629-R632 VanDerWaalsContact O-CB 3.29Å; L629-R632 WeakPolarHBondContact O-CB 3.45Å; L629-R632 PolarHBondContact O-N 3Å; E630-R632 PolarHBondContact O-N 3.39Å; R632-T634 VanDerWaalsContact C-N 3.29Å; R632-T634 PolarHBondContact O-N 3.25Å; R632-K635 WeakPolarHBondContact O-CB 3.37Å; R632-K635 PolarHBondContact O-N 3.42Å; R632-K635 VanDerWaalsContact O-N 3.11Å
633	L	91.4	Very high	91.7	Very high	18 Å²	18	78.8 Å²	78.8	9%	0.094	37%	0.368	C	S	.	.	H	α-helix	trans	-64.6	-32.3	178.9	-62.8	-179.2	0	0	0	112	L629 E630 K635 D636 L639 A640 Y643	L629-L633 HydrophobicContact CD1-CD1 4.32Å; L629-L633 HydrophobicContact CD1-CD2 4.07Å; L629-L633 HydrophobicContact CD1-CG 4.01Å; L629-L633 HydrophobicContact CG-CD1 4.08Å; L629-L633 HydrophobicContact CG-CG 4.2Å; L629-L633 WeakPolarHBondContact O-CG 3.5Å; L629-L633 PolarHBondContact O-N 3.33Å; E630-L633 PolarHBondContact O-N 2.87Å; L633-K635 PolarHBondContact O-N 3.43Å; L633-D636 CarbonylContact O-C 3.58Å; L633-D636 PolarHBondContact O-N 3.38Å; L633-L639 HydrophobicContact CD2-CB 4.42Å; L633-L639 HydrophobicContact CD2-CD2 4.06Å; L633-L639 HydrophobicContact CD2-CG 3.67Å; L633-A640 HydrophobicContact CB-CB 4.01Å; L633-Y643 HydrophobicContact CD1-CD1 3.39Å; L633-Y643 HydrophobicContact CD1-CE1 3.73Å; L633-Y643 HydrophobicContact CD1-CG 4.03Å
634	T	89.4	Confident	91.6	Very high	99 Å²	99	77.9 Å²	77.9	61%	0.607	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.2	173.9	53.4	0	0	0	0	113.2	E630 N631 R632	E630-T634 WeakPolarHBondContact O-CG2 3.48Å; E630-T634 PolarHBondContact O-N 3.27Å; N631-T634 PolarHBondContact O-OG1 2.89Å; R632-T634 VanDerWaalsContact C-N 3.29Å; R632-T634 PolarHBondContact O-N 3.25Å
635	K	90.5	Very high	91.4	Very high	183 Å²	183	73 Å²	73	80%	0.796	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-14.9	179	-57.9	178.7	-175.4	-177.4	0	113.5	R632 L633	R632-K635 WeakPolarHBondContact O-CB 3.37Å; R632-K635 PolarHBondContact O-N 3.42Å; R632-K635 VanDerWaalsContact O-N 3.11Å; L633-K635 PolarHBondContact O-N 3.43Å
636	D	88.7	Confident	91.2	Very high	67 Å²	67	67.5 Å²	67.5	36%	0.358	34%	0.337	S	S	.	.			trans	-137	94.5	-178.6	-176.4	-16.3	0	0	0	110.7	L633 R638 L639 A640	L633-D636 CarbonylContact O-C 3.58Å; L633-D636 PolarHBondContact O-N 3.38Å; D636-R638 VanDerWaalsContact C-N 3.25Å; D636-R638 PolarHBondContact O-N 2.88Å; D636-R638 WeakPolarHBondContact OD1-CB 3.28Å; D636-R638 PolarHBondContact OD1-N 3.3Å; D636-L639 HydrophobicContact CB-CB 3.93Å; D636-L639 VanDerWaalsContact CG-CB 3.42Å; D636-L639 PolarHBondContact O-N 2.89Å; D636-L639 PolarHBondContact OD1-N 2.91Å; D636-L639 WeakPolarHBondContact OD2-CB 3.42Å; D636-A640 WeakPolarHBondContact O-CB 3.24Å; D636-A640 PolarHBondContact O-N 3.32Å
637	A	89.6	Confident	91.1	Very high	75 Å²	75	67.4 Å²	67.4	62%	0.62	34%	0.337	S	S	*	.	H	α-helix	trans	-62.4	-29.9	-178.2	0	0	0	0	0	113.4	R641	A637-R641 PolarHBondContact O-N 3Å; A637-R641 VanDerWaalsContact O-N 3.17Å
638	R	89.1	Confident	91.1	Very high	139 Å²	139	68 Å²	68	53%	0.525	34%	0.335	S	S	.	.	H	α-helix	trans	-71.6	-47.3	177.9	175.4	-178.4	164.7	-172	-7.1	110	D636 A640 R641 L642	D636-R638 VanDerWaalsContact C-N 3.25Å; D636-R638 PolarHBondContact O-N 2.88Å; D636-R638 WeakPolarHBondContact OD1-CB 3.28Å; D636-R638 PolarHBondContact OD1-N 3.3Å; R638-A640 VanDerWaalsContact C-N 3.33Å; R638-R641 PolarHBondContact O-N 3.04Å; R638-L642 HydrophobicContact CG-CD1 4.2Å; R638-L642 WeakPolarHBondContact O-CG 3.38Å; R638-L642 PolarHBondContact O-N 2.84Å; R638-L642 VanDerWaalsContact O-N 3.08Å
639	L	88.7	Confident	91	Very high	4 Å²	4	65 Å²	65	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-41.5	176.3	179.4	54	0	0	0	111.4	L633 D636 R641 L642 Y643 P676 I678	L633-L639 HydrophobicContact CD2-CB 4.42Å; L633-L639 HydrophobicContact CD2-CD2 4.06Å; L633-L639 HydrophobicContact CD2-CG 3.67Å; D636-L639 HydrophobicContact CB-CB 3.93Å; D636-L639 VanDerWaalsContact CG-CB 3.42Å; D636-L639 PolarHBondContact O-N 2.89Å; D636-L639 PolarHBondContact OD1-N 2.91Å; D636-L639 WeakPolarHBondContact OD2-CB 3.42Å; L639-R641 VanDerWaalsContact C-N 3.35Å; L639-R641 PolarHBondContact O-N 3.48Å; L639-L642 PolarHBondContact O-N 2.94Å; L639-Y643 VanDerWaalsContact O-CB 3.27Å; L639-Y643 WeakPolarHBondContact O-CB 3.47Å; L639-Y643 PolarHBondContact O-N 3.46Å; L639-P676 HydrophobicContact CD1-CB 3.84Å; L639-P676 HydrophobicContact CD1-CG 3.74Å; L639-P676 HydrophobicContact CD2-CG 4.43Å; L639-P676 HydrophobicContact CG-CG 4.28Å; L639-I678 HydrophobicContact CD1-CD1 3.75Å; L639-I678 HydrophobicContact CD1-CG1 3.84Å
640	A	90.4	Very high	91	Very high	30 Å²	30	66 Å²	66	25%	0.248	33%	0.326	C	S	.	.	H	α-helix	trans	-55.8	-47.1	175.7	0	0	0	0	0	112.4	L633 D636 R638 A644	L633-A640 HydrophobicContact CB-CB 4.01Å; D636-A640 WeakPolarHBondContact O-CB 3.24Å; D636-A640 PolarHBondContact O-N 3.32Å; R638-A640 VanDerWaalsContact C-N 3.33Å; A640-A644 WeakPolarHBondContact O-CB 3.33Å; A640-A644 PolarHBondContact O-N 3.22Å
641	R	90.8	Very high	91.1	Very high	167 Å²	167	66.7 Å²	66.7	63%	0.63	33%	0.333	S	S	*	.	H	α-helix	trans	-62.6	-51.7	177.2	-171.4	-175.5	-60.7	138.8	1.6	111.7	A637 R638 L639 Y643 A644 D645	A637-R641 PolarHBondContact O-N 3Å; A637-R641 VanDerWaalsContact O-N 3.17Å; R638-R641 PolarHBondContact O-N 3.04Å; L639-R641 VanDerWaalsContact C-N 3.35Å; L639-R641 PolarHBondContact O-N 3.48Å; R641-Y643 VanDerWaalsContact C-N 3.29Å; R641-Y643 PolarHBondContact O-N 3.49Å; R641-A644 PolarHBondContact O-N 3.12Å; R641-D645 PolarHBondContact O-N 3.32Å
642	L	90.1	Very high	91.2	Very high	37 Å²	37	68.1 Å²	68.1	19%	0.194	34%	0.341	C	S	.	.	H	α-helix	trans	-61.6	-36.3	-178.9	-69.9	175	0	0	0	112.9	R638 L639 G646 K686 C687	R638-L642 HydrophobicContact CG-CD1 4.2Å; R638-L642 WeakPolarHBondContact O-CG 3.38Å; R638-L642 PolarHBondContact O-N 2.84Å; R638-L642 VanDerWaalsContact O-N 3.08Å; L639-L642 PolarHBondContact O-N 2.94Å; L642-G646 PolarHBondContact O-N 3.01Å; L642-K686 HydrophobicContact CD1-CB 4.44Å; L642-K686 HydrophobicContact CD2-CB 4.37Å; L642-C687 HydrophobicContact CB-CB 3.87Å
643	Y	92.4	Very high	91.3	Very high	8 Å²	8	64.9 Å²	64.9	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-67.9	-46.4	175.1	168.3	-99.5	0	0	0	111.7	L629 L633 L639 R641 G646 M647 H674 P676 I689 W755	L629-Y643 HydrophobicContact CD2-CD2 4.46Å; L629-Y643 HydrophobicContact CD2-CE1 4.42Å; L629-Y643 HydrophobicContact CD2-CE2 3.74Å; L633-Y643 HydrophobicContact CD1-CD1 3.39Å; L633-Y643 HydrophobicContact CD1-CE1 3.73Å; L633-Y643 HydrophobicContact CD1-CG 4.03Å; L639-Y643 VanDerWaalsContact O-CB 3.27Å; L639-Y643 WeakPolarHBondContact O-CB 3.47Å; L639-Y643 PolarHBondContact O-N 3.46Å; R641-Y643 VanDerWaalsContact C-N 3.29Å; R641-Y643 PolarHBondContact O-N 3.49Å; Y643-G646 PolarHBondContact O-N 3.38Å; Y643-M647 HydrophobicContact CE1-CG 4.35Å; Y643-M647 HydrophobicContact CE2-CE 3.7Å; Y643-M647 HydrophobicContact CE2-CG 4.08Å; Y643-M647 PolarHBondContact O-N 2.99Å; Y643-M647 WeakPolarHBondContact OH-CE 3.36Å; Y643-H674 AromaticContact CE2-CD2 3.87Å; Y643-H674 AromaticContact CZ-NE2 3.79Å; Y643-H674 PolarHBondContact OH-CD2 3.45Å; Y643-H674 PolarHBondContact OH-NE2 3.34Å; Y643-P676 HydrophobicContact CD2-CB 4Å; Y643-P676 HydrophobicContact CD2-CG 4.02Å; Y643-P676 HydrophobicContact CG-CG 4.48Å; Y643-I689 HydrophobicContact CD2-CD1 4.33Å; Y643-I689 HydrophobicContact CD2-CG1 4.29Å; Y643-I689 HydrophobicContact CE2-CD1 4.46Å; Y643-W755 AromaticContact CE1-CD1 3.99Å; Y643-W755 AromaticContact CE1-NE1 3.7Å; Y643-W755 AromaticContact CZ-CD1 3.98Å; Y643-W755 VanDerWaalsContact OH-CD1 3.32Å
644	A	92.4	Very high	91.4	Very high	18 Å²	18	65.6 Å²	65.6	15%	0.149	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-46	178	0	0	0	0	0	111.7	A640 R641 G646 M647 R648	A640-A644 WeakPolarHBondContact O-CB 3.33Å; A640-A644 PolarHBondContact O-N 3.22Å; R641-A644 PolarHBondContact O-N 3.12Å; A644-G646 VanDerWaalsContact C-N 3.27Å; A644-G646 PolarHBondContact O-N 3.44Å; A644-M647 PolarHBondContact O-N 3.4Å; A644-R648 WeakPolarHBondContact O-CG 3.32Å; A644-R648 PolarHBondContact O-N 2.85Å
645	D	91.1	Very high	91.7	Very high	72 Å²	72	61.4 Å²	61.4	39%	0.385	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-38.2	176.3	-61.8	-17.8	0	0	0	111.3	R641 R648 S649	R641-D645 PolarHBondContact O-N 3.32Å; D645-R648 IonicContact OD1-CZ 3.23Å; D645-R648 IonicContact OD1-NH1 2.85Å; D645-R648 PolarHBondContact OD1-NH1 3Å; D645-S649 WeakPolarHBondContact O-CB 3.5Å; D645-S649 PolarHBondContact O-N 3.42Å
646	G	91	Very high	92	Very high	15 Å²	15	53 Å²	53	16%	0.155	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-51.9	172.4	0	0	0	0	0	112	L642 Y643 A644 S649 Y650	L642-G646 PolarHBondContact O-N 3.01Å; Y643-G646 PolarHBondContact O-N 3.38Å; A644-G646 VanDerWaalsContact C-N 3.27Å; A644-G646 PolarHBondContact O-N 3.44Å; G646-S649 WeakPolarHBondContact O-CB 3.29Å; G646-S649 PolarHBondContact O-N 2.76Å; G646-Y650 VanDerWaalsContact O-CD2 3.29Å; G646-Y650 WeakPolarHBondContact O-CD2 3.39Å; G646-Y650 PolarHBondContact O-N 3.03Å
647	M	92.8	Very high	92.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-44.2	179.6	-77.8	-61.9	-170.4	0	0	112.6	Y643 A644 S649 Y650 V651 H674 I689 F691 F753 W755	Y643-M647 HydrophobicContact CE1-CG 4.35Å; Y643-M647 HydrophobicContact CE2-CE 3.7Å; Y643-M647 HydrophobicContact CE2-CG 4.08Å; Y643-M647 PolarHBondContact O-N 2.99Å; Y643-M647 WeakPolarHBondContact OH-CE 3.36Å; A644-M647 PolarHBondContact O-N 3.4Å; M647-S649 VanDerWaalsContact C-N 3.26Å; M647-S649 PolarHBondContact O-N 2.95Å; M647-Y650 WeakPolarHBondContact O-CB 3.46Å; M647-Y650 PolarHBondContact O-N 3.28Å; M647-V651 PolarHBondContact O-N 2.78Å; M647-H674 WeakPolarHBondContact CE-CD2 3.39Å; M647-H674 VanDerWaalsContact CE-NE2 3.26Å; M647-H674 WeakPolarHBondContact CE-NE2 3.43Å; M647-I689 HydrophobicContact CB-CD1 4.36Å; M647-I689 HydrophobicContact CE-CD1 4Å; M647-I689 HydrophobicContact CE-CG2 3.73Å; M647-I689 HydrophobicContact CG-CD1 3.62Å; M647-I689 HydrophobicContact SD-CD1 3.66Å; M647-F691 HydrophobicContact CE-CE1 4.4Å; M647-F691 HydrophobicContact CE-CZ 4.14Å; M647-F691 HydrophobicContact SD-CZ 4.41Å; M647-F753 HydrophobicContact CE-CD2 4.45Å; M647-F753 HydrophobicContact CE-CE2 4.19Å; M647-F753 HydrophobicContact SD-CE2 3.99Å; M647-W755 HydrophobicContact CB-CD2 3.81Å; M647-W755 VanDerWaalsContact CB-CE2 3.41Å; M647-W755 HydrophobicContact CB-CE3 4.17Å; M647-W755 HydrophobicContact CB-CG 4.44Å; M647-W755 HydrophobicContact CB-CH2 3.9Å; M647-W755 HydrophobicContact CB-CZ2 3.47Å; M647-W755 VanDerWaalsContact CB-CZ2 3.47Å; M647-W755 HydrophobicContact CB-CZ3 4.22Å; M647-W755 HydrophobicContact CG-CD2 4.01Å; M647-W755 HydrophobicContact CG-CG 4.12Å; M647-W755 HydrophobicContact CG-CZ2 4.28Å; M647-W755 HydrophobicContact SD-CG 4.43Å
648	R	93	Very high	92.6	Very high	91 Å²	91	56.5 Å²	56.5	34%	0.343	28%	0.278	S	S	.	.	H	α-helix	trans	-57.4	-41.3	174.7	-69.3	-169.4	-146.5	112.1	1.2	111.3	A644 D645 Y650 V651 D652 W755 E757	A644-R648 WeakPolarHBondContact O-CG 3.32Å; A644-R648 PolarHBondContact O-N 2.85Å; D645-R648 IonicContact OD1-CZ 3.23Å; D645-R648 IonicContact OD1-NH1 2.85Å; D645-R648 PolarHBondContact OD1-NH1 3Å; R648-Y650 VanDerWaalsContact C-N 3.26Å; R648-Y650 PolarHBondContact O-N 3.16Å; R648-V651 PolarHBondContact O-N 3.15Å; R648-D652 WeakPolarHBondContact O-CB 3.4Å; R648-D652 PolarHBondContact O-N 2.79Å; R648-W755 HydrophobicContact CG-CH2 3.91Å; R648-E757 IonicContact CZ-OE1 3.67Å; R648-E757 IonicContact NE-OE1 3.85Å; R648-E757 PolarHBondContact NE-OE1 2.98Å; R648-E757 IonicContact NH2-OE1 2.67Å; R648-E757 PolarHBondContact NH2-OE1 3.3Å
649	S	91.8	Very high	92.7	Very high	40 Å²	40	50 Å²	50	28%	0.28	25%	0.254	S	S	.	.	H	α-helix	trans	-58.6	-34.4	174.8	-179.7	0	0	0	0	113.2	D645 G646 M647 N653	D645-S649 WeakPolarHBondContact O-CB 3.5Å; D645-S649 PolarHBondContact O-N 3.42Å; G646-S649 WeakPolarHBondContact O-CB 3.29Å; G646-S649 PolarHBondContact O-N 2.76Å; M647-S649 VanDerWaalsContact C-N 3.26Å; M647-S649 PolarHBondContact O-N 2.95Å; S649-N653 WeakPolarHBondContact O-CB 3.48Å; S649-N653 PolarHBondContact O-N 2.8Å; S649-N653 PolarHBondContact O-ND2 3.16Å; S649-N653 PolarHBondContact OG-ND2 3.09Å
650	Y	93.7	Very high	92.3	Very high	35 Å²	35	57.7 Å²	57.7	14%	0.137	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-40.2	174.6	-81.6	-110.8	0	0	0	111.8	G646 M647 R648 F655 V656 I689 F691 L739 F769	G646-Y650 VanDerWaalsContact O-CD2 3.29Å; G646-Y650 WeakPolarHBondContact O-CD2 3.39Å; G646-Y650 PolarHBondContact O-N 3.03Å; M647-Y650 WeakPolarHBondContact O-CB 3.46Å; M647-Y650 PolarHBondContact O-N 3.28Å; R648-Y650 VanDerWaalsContact C-N 3.26Å; R648-Y650 PolarHBondContact O-N 3.16Å; Y650-F655 HydrophobicContact CD1-CB 4.14Å; Y650-F655 HydrophobicContact CD1-CD2 4.35Å; Y650-F655 HydrophobicContact CG-CD2 4.43Å; Y650-F655 WeakPolarHBondContact O-CB 3.42Å; Y650-F655 PolarHBondContact O-N 3.3Å; Y650-V656 HydrophobicContact CD1-CG1 4.09Å; Y650-V656 PolarHBondContact O-N 3.3Å; Y650-I689 HydrophobicContact CE2-CD1 4.42Å; Y650-F691 HydrophobicContact CE1-CE2 4.08Å; Y650-L739 HydrophobicContact CE1-CD1 3.99Å; Y650-L739 HydrophobicContact CE1-CD2 4.13Å; Y650-F769 AromaticContact CD1-CE1 3.64Å; Y650-F769 HydrophobicContact CD1-CE1 3.64Å; Y650-F769 HydrophobicContact CD1-CZ 4.05Å; Y650-F769 AromaticContact CE1-CE1 3.61Å; Y650-F769 HydrophobicContact CE1-CE1 3.61Å; Y650-F769 AromaticContact CE1-CZ 3.89Å; Y650-F769 HydrophobicContact CE1-CZ 3.89Å
651	V	93.6	Very high	91.3	Very high	53 Å²	53	63.6 Å²	63.6	32%	0.321	31%	0.313	S	S	.	.	H	α-helix	trans	-68.6	-53.4	178.7	-179.4	0	0	0	0	110.5	M647 R648 N653 G654 V656 W755 F767	M647-V651 PolarHBondContact O-N 2.78Å; R648-V651 PolarHBondContact O-N 3.15Å; V651-N653 PolarHBondContact O-N 2.92Å; V651-G654 PolarHBondContact O-N 3.2Å; V651-V656 HydrophobicContact CB-CG2 4.45Å; V651-V656 HydrophobicContact CG2-CG2 3.81Å; V651-W755 HydrophobicContact CG2-CZ3 4.21Å; V651-F767 HydrophobicContact CG2-CD1 4.44Å; V651-F767 HydrophobicContact CG2-CE1 3.92Å; V651-F767 HydrophobicContact CG2-CZ 4.38Å
652	D	93.9	Very high	90.3	Very high	129 Å²	129	62.2 Å²	62.2	69%	0.69	31%	0.308	S	S	*	.	H	α-helix	trans	-62.9	-30	-174.7	-61.1	-20.6	0	0	0	112.7	R648 G654	R648-D652 WeakPolarHBondContact O-CB 3.4Å; R648-D652 PolarHBondContact O-N 2.79Å; D652-G654 VanDerWaalsContact C-N 3.3Å
653	N	92.6	Very high	89	Confident	82 Å²	82	64.5 Å²	64.5	44%	0.439	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.5	177.3	-71.7	-101.1	0	0	0	113.1	S649 V651 F655	S649-N653 WeakPolarHBondContact O-CB 3.48Å; S649-N653 PolarHBondContact O-N 2.8Å; S649-N653 PolarHBondContact O-ND2 3.16Å; S649-N653 PolarHBondContact OG-ND2 3.09Å; V651-N653 PolarHBondContact O-N 2.92Å; N653-F655 HydrophobicContact CB-CD1 3.98Å; N653-F655 HydrophobicContact CB-CD2 3.73Å; N653-F655 HydrophobicContact CB-CE1 3.71Å; N653-F655 HydrophobicContact CB-CE2 3.41Å; N653-F655 VanDerWaalsContact CB-CE2 3.41Å; N653-F655 HydrophobicContact CB-CG 4.01Å; N653-F655 HydrophobicContact CB-CZ 3.41Å; N653-F655 VanDerWaalsContact CB-CZ 3.41Å; N653-F655 PolarHBondContact O-N 3.04Å
654	G	94.2	Very high	87.4	Confident	33 Å²	33	65.2 Å²	65.2	34%	0.34	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	29.9	-178	0	0	0	0	0	113.3	V651 D652 V656 T770	V651-G654 PolarHBondContact O-N 3.2Å; D652-G654 VanDerWaalsContact C-N 3.3Å; G654-V656 VanDerWaalsContact C-N 3.32Å; G654-T770 PolarHBondContact O-OG1 3.45Å
655	F	95.5	Very high	85.8	Confident	10 Å²	10	70 Å²	70	4%	0.044	37%	0.367	C	S	.	.	S	Bend	trans	-79.6	-21.7	175	-57.8	-30.7	0	0	0	112.5	Y650 N653 K736 L739 T770 R771	Y650-F655 HydrophobicContact CD1-CB 4.14Å; Y650-F655 HydrophobicContact CD1-CD2 4.35Å; Y650-F655 HydrophobicContact CG-CD2 4.43Å; Y650-F655 WeakPolarHBondContact O-CB 3.42Å; Y650-F655 PolarHBondContact O-N 3.3Å; N653-F655 HydrophobicContact CB-CD1 3.98Å; N653-F655 HydrophobicContact CB-CD2 3.73Å; N653-F655 HydrophobicContact CB-CE1 3.71Å; N653-F655 HydrophobicContact CB-CE2 3.41Å; N653-F655 VanDerWaalsContact CB-CE2 3.41Å; N653-F655 HydrophobicContact CB-CG 4.01Å; N653-F655 HydrophobicContact CB-CZ 3.41Å; N653-F655 VanDerWaalsContact CB-CZ 3.41Å; N653-F655 PolarHBondContact O-N 3.04Å; F655-K736 HydrophobicContact CE2-CD 3.93Å; F655-K736 HydrophobicContact CZ-CD 4.01Å; F655-L739 HydrophobicContact CB-CD2 4.35Å; F655-L739 HydrophobicContact CD1-CB 4.14Å; F655-L739 HydrophobicContact CD2-CB 4.37Å; F655-L739 HydrophobicContact CD2-CD1 3.64Å; F655-L739 HydrophobicContact CD2-CG 4.41Å; F655-L739 HydrophobicContact CE1-CB 4.09Å; F655-L739 HydrophobicContact CE2-CB 4.34Å; F655-L739 HydrophobicContact CE2-CD1 3.74Å; F655-L739 HydrophobicContact CG-CB 4.28Å; F655-L739 HydrophobicContact CG-CD1 4.23Å; F655-L739 HydrophobicContact CG-CD2 4.4Å; F655-L739 HydrophobicContact CZ-CB 4.19Å; F655-L739 HydrophobicContact CZ-CD1 4.38Å; F655-T770 VanDerWaalsContact C-OG1 3.26Å; F655-T770 PolarHBondContact O-N 2.91Å; F655-T770 PolarHBondContact O-OG1 3.31Å; F655-T770 VanDerWaalsContact O-OG1 3.12Å; F655-R771 HydrophobicContact CB-CG 4.22Å; F655-R771 HydrophobicContact CD1-CG 3.93Å; F655-R771 HydrophobicContact CG-CG 4.5Å
656	V	96.9	Very high	84.6	Confident	8 Å²	8	68.8 Å²	68.8	5%	0.048	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.7	177.8	-56.9	0	0	0	0	108.6	Y650 V651 G654 F753 F767 R768 F769	Y650-V656 HydrophobicContact CD1-CG1 4.09Å; Y650-V656 PolarHBondContact O-N 3.3Å; V651-V656 HydrophobicContact CB-CG2 4.45Å; V651-V656 HydrophobicContact CG2-CG2 3.81Å; G654-V656 VanDerWaalsContact C-N 3.32Å; V656-F753 HydrophobicContact CB-CE1 4.08Å; V656-F753 HydrophobicContact CB-CZ 4.22Å; V656-F753 HydrophobicContact CG1-CE1 3.61Å; V656-F753 HydrophobicContact CG1-CZ 3.9Å; V656-F753 HydrophobicContact CG2-CZ 4.25Å; V656-F767 HydrophobicContact CG2-CD1 4.12Å; V656-R768 CarbonylContact C-O 3.5Å; V656-R768 WeakPolarHBondContact CA-O 3.33Å; V656-R768 WeakPolarHBondContact CB-O 3.48Å; V656-F769 HydrophobicContact CG1-CD1 3.68Å; V656-F769 HydrophobicContact CG1-CD2 4.5Å; V656-F769 HydrophobicContact CG1-CE1 3.7Å; V656-F769 HydrophobicContact CG1-CG 4.09Å; V656-F769 HydrophobicContact CG1-CZ 4.12Å
657	E	95.2	Very high	83.6	Confident	57 Å²	57	69.6 Å²	69.6	27%	0.266	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.4	173.9	66.3	-168.1	-175.8	0	0	109.7	R748 F767 R768 T770	E657-R748 IonicContact OE1-NH1 2.8Å; E657-R748 PolarHBondContact OE1-NH1 2.91Å; E657-R748 IonicContact OE2-NH1 3.32Å; E657-R748 PolarHBondContact OE2-NH1 2.77Å; E657-R748 VanDerWaalsContact OE2-NH1 3.11Å; E657-F767 CarbonylContact O-C 3.5Å; E657-F767 VanDerWaalsContact O-CA 3.29Å; E657-F767 WeakPolarHBondContact O-CA 3.36Å; E657-R768 HydrophobicContact CG-CG 3.74Å; E657-R768 PolarHBondContact N-O 3.24Å; E657-R768 PolarHBondContact O-N 2.79Å; E657-R768 IonicContact OE1-CZ 3.66Å; E657-R768 IonicContact OE1-NE 3.76Å; E657-R768 PolarHBondContact OE1-NE 3.27Å; E657-R768 IonicContact OE1-NH2 2.69Å; E657-R768 PolarHBondContact OE1-NH2 2.81Å; E657-T770 HydrophobicContact CB-CG2 3.85Å; E657-T770 VanDerWaalsContact CD-CG2 3.45Å; E657-T770 HydrophobicContact CG-CG2 3.63Å; E657-T770 VanDerWaalsContact OE2-CG2 3.29Å; E657-T770 WeakPolarHBondContact OE2-CG2 3.47Å
658	R	94.6	Very high	83.2	Confident	157 Å²	157	71.4 Å²	71.4	59%	0.592	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.3	173.2	178.1	175.3	167.3	158.2	-3.5	109.1	E660 T765 F767	R658-E660 PolarHBondContact O-N 3.14Å; R658-T765 HydrophobicContact CG-CG2 3.85Å; R658-F767 HydrophobicContact CB-CD1 4.46Å; R658-F767 HydrophobicContact CB-CE1 4.33Å
659	V	91.7	Very high	83	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.024	37%	0.374	C	S	.	.			trans	-83.5	111.3	174	-177.1	0	0	0	0	108.9	Q661 R752 V766 R768	V659-Q661 VanDerWaalsContact CG1-O 3.29Å; V659-Q661 WeakPolarHBondContact CG1-O 3.45Å; V659-R752 HydrophobicContact CG2-CG 4.34Å; V659-V766 HydrophobicContact CB-CB 4.23Å; V659-V766 HydrophobicContact CB-CG1 4Å; V659-V766 HydrophobicContact CG2-CB 4.43Å; V659-V766 HydrophobicContact CG2-CG1 3.77Å; V659-V766 PolarHBondContact N-O 3.09Å; V659-R768 HydrophobicContact CG2-CB 3.88Å; V659-R768 HydrophobicContact CG2-CG 3.81Å
660	E	79.9	Confident	83.1	Confident	164 Å²	164	67.4 Å²	67.4	77%	0.766	36%	0.361	S	S	*	.			trans	-87.9	-36.3	175.7	-62.2	-174	168.9	0	0	112	R658	R658-E660 PolarHBondContact O-N 3.14Å
661	Q	70.4	Confident	83.2	Confident	155 Å²	155	66.3 Å²	66.3	72%	0.724	36%	0.357	S	S	*	.			trans	-108.2	109.8	179.9	-63.4	-178.7	10.8	0	0	110.1	V659 A663	V659-Q661 VanDerWaalsContact CG1-O 3.29Å; V659-Q661 WeakPolarHBondContact CG1-O 3.45Å; Q661-A663 VanDerWaalsContact C-N 3.26Å; Q661-A663 PolarHBondContact O-N 2.55Å
662	Y	69.9	Low	83.4	Confident	138 Å²	138	63.9 Å²	63.9	54%	0.541	34%	0.342	S	S	.	.			trans	-71	-21.8	-176.3	-70.6	-91.3	0	0	0	113.3	A664 R752 V766	Y662-A664 PolarHBondContact O-N 2.79Å; Y662-R752 PolarHBondContact O-NH1 3.22Å; Y662-R752 VanDerWaalsContact O-NH1 3.15Å; Y662-R752 PolarHBondContact O-NH2 2.81Å; Y662-V766 HydrophobicContact CE1-CB 4.34Å; Y662-V766 HydrophobicContact CE1-CG2 3.76Å
663	A	63.5	Low	83.5	Confident	84 Å²	84	58 Å²	58	69%	0.694	31%	0.311	S	S	*	.	S	Bend	trans	-70	113.8	174.6	0	0	0	0	0	110	Q661	Q661-A663 VanDerWaalsContact C-N 3.26Å; Q661-A663 PolarHBondContact O-N 2.55Å
664	A	58.8	Low	83.7	Confident	24 Å²	24	54.7 Å²	54.7	20%	0.198	29%	0.292	C	S	.	.			trans	-74.3	134.7	175.4	0	0	0	0	0	110.1	Y662 S666 D749	Y662-A664 PolarHBondContact O-N 2.79Å; A664-S666 VanDerWaalsContact C-N 3.26Å; A664-S666 PolarHBondContact O-N 3.11Å; A664-D749 VanDerWaalsContact CA-OD2 3.28Å; A664-D749 WeakPolarHBondContact CA-OD2 3.42Å; A664-D749 HydrophobicContact CB-CB 4.06Å; A664-D749 WeakPolarHBondContact CB-OD2 3.25Å
665	T	58.8	Low	83.5	Confident	117 Å²	117	57 Å²	57	72%	0.718	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-32.7	175.7	26.3	0	0	0	0	112.5
666	S	65.1	Low	83.3	Confident	47 Å²	47	56.9 Å²	56.9	33%	0.329	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	0.3	-171.9	61.8	0	0	0	0	114.9	A664 R668 D746	A664-S666 VanDerWaalsContact C-N 3.26Å; A664-S666 PolarHBondContact O-N 3.11Å; S666-R668 PolarHBondContact O-N 3.17Å; S666-R668 VanDerWaalsContact O-N 3.15Å; S666-D746 PolarHBondContact OG-O 3.11Å; S666-D746 VanDerWaalsContact OG-O 3.09Å
667	G	70.4	Confident	82.8	Confident	33 Å²	33	59.2 Å²	59.2	34%	0.34	31%	0.309	S	S	.	.	S	Bend	trans	67.4	5.4	-174.9	0	0	0	0	0	115
668	R	84.1	Confident	82.1	Confident	38 Å²	38	59.4 Å²	59.4	14%	0.143	31%	0.311	C	S	.	.			trans	-104.6	95	176	-62.8	-177.8	-168	142.7	14	109.5	W609 E612 L615 S666 D749 A750	W609-R668 VanDerWaalsContact CG-NH1 3.3Å; W609-R668 HydrophobicContact CH2-CB 4.32Å; W609-R668 HydrophobicContact CZ2-CB 4.5Å; W609-R668 VanDerWaalsContact NE1-NH1 3.19Å; E612-R668 VanDerWaalsContact CA-NH2 3.32Å; L615-R668 HydrophobicContact CD1-CB 4.12Å; S666-R668 PolarHBondContact O-N 3.17Å; S666-R668 VanDerWaalsContact O-N 3.15Å; R668-D749 CarbonylContact O-C 3.56Å; R668-D749 VanDerWaalsContact O-C 3.31Å; R668-D749 WeakPolarHBondContact O-CB 3.34Å; R668-A750 PolarHBondContact O-N 2.91Å
669	H	87.8	Confident	80.9	Confident	48 Å²	48	56.2 Å²	56.2	22%	0.222	30%	0.301	C	S	.	.			trans	-111.4	138.8	170	51.3	-139.1	0	0	0	111.6	N617 D749	N617-H669 WeakPolarHBondContact CB-NE2 3.37Å; H669-D749 VanDerWaalsContact CA-O 3.31Å; H669-D749 WeakPolarHBondContact CA-O 3.43Å
670	W	94.2	Very high	79.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.333	C	S	.	.			trans	-150.3	136.3	172.7	-170.3	-92.6	0	0	0	110.6	L615 P616 N618 A695 L702 D749 A750 R752	L615-W670 HydrophobicContact CB-CE3 4.18Å; L615-W670 HydrophobicContact CD1-CB 4.02Å; L615-W670 HydrophobicContact CD2-CE3 4.49Å; P616-W670 HydrophobicContact CG-CZ3 3.96Å; N618-W670 HydrophobicContact CB-CE3 4.31Å; N618-W670 HydrophobicContact CB-CH2 4.18Å; N618-W670 HydrophobicContact CB-CZ2 4.36Å; N618-W670 HydrophobicContact CB-CZ3 4.16Å; N618-W670 WeakPolarHBondContact ND2-CZ2 3.37Å; N618-W670 PolarHBondContact ND2-NE1 3.43Å; W670-A695 WeakPolarHBondContact CZ2-O 3.49Å; W670-L702 HydrophobicContact CD2-CB 4.22Å; W670-L702 HydrophobicContact CG-CB 4.11Å; W670-L702 HydrophobicContact CG-CD2 4.47Å; W670-D749 PolarHBondContact N-O 2.95Å; W670-A750 WeakPolarHBondContact CB-O 3.43Å; W670-R752 WeakPolarHBondContact O-CA 3.33Å; W670-R752 VanDerWaalsContact O-CB 3.31Å; W670-R752 WeakPolarHBondContact O-CB 3.3Å; W670-R752 PolarHBondContact O-N 3.47Å
671	Y	96.4	Very high	78.4	Confident	12 Å²	12	63.3 Å²	63.3	5%	0.047	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-104.4	107.6	179.7	-59.2	-94.2	0	0	0	109	N618 Y619 P673 R752 L754 V766	N618-Y671 PolarHBondContact ND2-O 2.92Å; N618-Y671 WeakPolarHBondContact OD1-CB 3.45Å; N618-Y671 WeakPolarHBondContact OD1-CD2 3.5Å; N618-Y671 PolarHBondContact OD1-N 2.79Å; Y619-Y671 HydrophobicContact CD2-CD1 4.02Å; Y619-Y671 HydrophobicContact CD2-CD2 4.34Å; Y619-Y671 AromaticContact CD2-CE1 3.69Å; Y619-Y671 HydrophobicContact CD2-CE1 3.69Å; Y619-Y671 HydrophobicContact CD2-CE2 4.05Å; Y619-Y671 HydrophobicContact CD2-CG 4.34Å; Y619-Y671 AromaticContact CD2-CZ 3.72Å; Y619-Y671 HydrophobicContact CE2-CE1 4.28Å; Y671-P673 VanDerWaalsContact O-CD 3.22Å; Y671-P673 WeakPolarHBondContact O-CD 3.47Å; Y671-R752 CarbonylContact C-O 3.55Å; Y671-R752 VanDerWaalsContact CA-O 3.29Å; Y671-R752 WeakPolarHBondContact CA-O 3.37Å; Y671-R752 HydrophobicContact CD1-CB 3.82Å; Y671-R752 HydrophobicContact CE1-CB 4.02Å; Y671-R752 HydrophobicContact CG-CB 4.38Å; Y671-L754 HydrophobicContact CD1-CD2 3.62Å; Y671-L754 HydrophobicContact CD1-CG 4.16Å; Y671-L754 HydrophobicContact CE1-CD2 3.94Å; Y671-V766 HydrophobicContact CD1-CG1 4.35Å; Y671-V766 HydrophobicContact CE1-CG1 3.7Å; Y671-V766 HydrophobicContact CE1-CG2 4.18Å
672	L	97.3	Very high	77.9	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	31%	0.313	C	S	.	.			trans	-70.6	115.2	177.2	-64.2	170.3	0	0	0	110	F691 L702 V751 R752 F753 L776	L672-F691 HydrophobicContact CB-CB 4.14Å; L672-F691 HydrophobicContact CB-CD1 4.23Å; L672-F691 HydrophobicContact CD1-CB 4.07Å; L672-L702 HydrophobicContact CD2-CD2 3.91Å; L672-V751 HydrophobicContact CD1-CB 4.06Å; L672-V751 HydrophobicContact CD1-CG1 4.17Å; L672-R752 PolarHBondContact N-O 3.28Å; L672-F753 WeakPolarHBondContact O-CB 3.44Å; L672-L776 HydrophobicContact CD2-CD2 4.45Å
673	P	96.7	Very high	77	Confident	6 Å²	6	54.2 Å²	54.2	4%	0.039	31%	0.312	C	S	.	.			trans	-60.5	150.5	164	-18.5	34.2	0	0	0	109.1	R625 Y671 F691 D692 A695	R625-P673 HydrophobicContact CB-CB 3.97Å; R625-P673 HydrophobicContact CG-CB 3.97Å; R625-P673 HydrophobicContact CG-CG 4.35Å; Y671-P673 VanDerWaalsContact O-CD 3.22Å; Y671-P673 WeakPolarHBondContact O-CD 3.47Å; P673-F691 CarbonylContact O-C 3.53Å; P673-D692 PolarHBondContact O-N 3.19Å; P673-A695 HydrophobicContact CG-CB 3.75Å
674	H	95.9	Very high	76.6	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.056	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	158.2	-178.5	60.5	-79.1	0	0	0	111.4	Y643 M647 I689 V690 F691 L754	Y643-H674 AromaticContact CE2-CD2 3.87Å; Y643-H674 AromaticContact CZ-NE2 3.79Å; Y643-H674 PolarHBondContact OH-CD2 3.45Å; Y643-H674 PolarHBondContact OH-NE2 3.34Å; M647-H674 WeakPolarHBondContact CE-CD2 3.39Å; M647-H674 VanDerWaalsContact CE-NE2 3.26Å; M647-H674 WeakPolarHBondContact CE-NE2 3.43Å; H674-I689 HydrophobicContact CB-CG2 4.1Å; H674-V690 CarbonylContact C-O 3.57Å; H674-V690 WeakPolarHBondContact CA-O 3.41Å; H674-V690 VanDerWaalsContact CB-O 3.28Å; H674-V690 WeakPolarHBondContact CB-O 3.38Å; H674-F691 HydrophobicContact CB-CD1 3.57Å; H674-F691 HydrophobicContact CB-CE1 3.8Å; H674-F691 HydrophobicContact CB-CG 4.05Å; H674-F691 HydrophobicContact CB-CZ 4.44Å; H674-F691 AromaticContact CG-CE1 3.94Å; H674-L754 PolarHBondContact CE1-O 3.26Å
675	H	91	Very high	76.6	Confident	81 Å²	81	56.4 Å²	56.4	38%	0.375	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	150	179.6	60.5	-81.6	0	0	0	111.6	V690	H675-V690 PolarHBondContact N-O 3.01Å; H675-V690 PolarHBondContact O-N 3.2Å
676	P	91.5	Very high	77	Confident	9 Å²	9	56.3 Å²	56.3	6%	0.058	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.9	174.5	29.6	-32.2	0	0	0	111.8	L629 L639 Y643 C687	L629-P676 VanDerWaalsContact CD1-CD 3.45Å; L629-P676 HydrophobicContact CD1-CG 4.01Å; L639-P676 HydrophobicContact CD1-CB 3.84Å; L639-P676 HydrophobicContact CD1-CG 3.74Å; L639-P676 HydrophobicContact CD2-CG 4.43Å; L639-P676 HydrophobicContact CG-CG 4.28Å; Y643-P676 HydrophobicContact CD2-CB 4Å; Y643-P676 HydrophobicContact CD2-CG 4.02Å; Y643-P676 HydrophobicContact CG-CG 4.48Å; P676-C687 WeakPolarHBondContact CB-SG 3.28Å
677	V	85.9	Confident	77.7	Confident	56 Å²	56	54.6 Å²	54.6	34%	0.339	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.5	169	179.1	0	0	0	0	108.2	R688 V690	V677-R688 PolarHBondContact N-O 3.25Å; V677-R688 PolarHBondContact O-N 2.79Å; V677-V690 HydrophobicContact CB-CG2 4.4Å; V677-V690 HydrophobicContact CG2-CG2 3.65Å
678	I	80	Confident	78.2	Confident	61 Å²	61	59 Å²	59	31%	0.313	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.7	178.5	-51.6	179.2	0	0	0	109.3	L639 N680 K686	L639-I678 HydrophobicContact CD1-CD1 3.75Å; L639-I678 HydrophobicContact CD1-CG1 3.84Å; I678-N680 WeakPolarHBondContact CG2-OD1 3.24Å; I678-K686 CarbonylContact C-O 3.56Å; I678-K686 VanDerWaalsContact CA-O 3.28Å; I678-K686 WeakPolarHBondContact CA-O 3.43Å; I678-K686 WeakPolarHBondContact CG2-O 3.39Å
679	K	70.2	Confident	78.5	Confident	90 Å²	90	57.4 Å²	57.4	39%	0.391	29%	0.293	S	S	.	.			trans	-107.2	95.7	168.1	-71.1	-170.6	176.1	-171	0	108.5	E681 S682 K686 R688	K679-E681 PolarHBondContact O-N 3.48Å; K679-E681 VanDerWaalsContact O-N 3.15Å; K679-S682 PolarHBondContact O-N 3.33Å; K679-S682 VanDerWaalsContact O-N 3.16Å; K679-K686 PolarHBondContact N-O 2.93Å; K679-R688 VanDerWaalsContact NZ-NH1 3.18Å
680	N	61.1	Low	78.6	Confident	130 Å²	130	56.6 Å²	56.6	70%	0.695	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.5	-177.5	-73.4	-28.1	0	0	0	113.2	I678	I678-N680 WeakPolarHBondContact CG2-OD1 3.24Å
681	E	57.1	Low	78.7	Confident	187 Å²	187	56.7 Å²	56.7	87%	0.874	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-10.2	-177.8	-62.5	174.4	-174	0	0	114.3	K679 S683	K679-E681 PolarHBondContact O-N 3.48Å; K679-E681 VanDerWaalsContact O-N 3.15Å; E681-S683 PolarHBondContact O-N 3.2Å
682	S	59.5	Low	78.6	Confident	27 Å²	27	58.3 Å²	58.3	19%	0.189	30%	0.301	C	S	.	.			trans	-79	123.4	-177.7	-174.9	0	0	0	0	111.2	K679 T684 T685	K679-S682 PolarHBondContact O-N 3.33Å; K679-S682 VanDerWaalsContact O-N 3.16Å; S682-T684 PolarHBondContact OG-N 3.45Å; S682-T685 PolarHBondContact OG-N 3.41Å; S682-T685 PolarHBondContact OG-O 3.48Å
683	S	51.7	Low	78.5	Confident	76 Å²	76	58.3 Å²	58.3	53%	0.531	30%	0.301	S	S	.	.	S	Bend	trans	-71	-31.3	172.1	44.9	0	0	0	0	113.1	E681 R864	E681-S683 PolarHBondContact O-N 3.2Å; S683-R864 PolarHBondContact OG-NH1 2.98Å
684	T	55.3	Low	78.4	Confident	88 Å²	88	61.3 Å²	61.3	54%	0.54	32%	0.322	S	S	.	.	S	Bend	trans	-100.7	-28.9	-169.3	57.6	0	0	0	0	114.3	S682	S682-T684 PolarHBondContact OG-N 3.45Å
685	T	59	Low	78.2	Confident	66 Å²	66	61 Å²	61	41%	0.405	32%	0.322	S	S	.	.			trans	-149	92.5	-178.8	-39.3	0	0	0	0	110.9	S682 C687	S682-T685 PolarHBondContact OG-N 3.41Å; S682-T685 PolarHBondContact OG-O 3.48Å; T685-C687 WeakPolarHBondContact CG2-O 3.45Å; T685-C687 PolarHBondContact O-N 3.33Å
686	K	66.7	Low	78.3	Confident	114 Å²	114	62.2 Å²	62.2	50%	0.496	33%	0.33	S	S	.	.	S	Bend	trans	-62.9	-24.9	-178.2	-69	-179.3	179.9	175	0	113.2	L642 I678 K679	L642-K686 HydrophobicContact CD1-CB 4.44Å; L642-K686 HydrophobicContact CD2-CB 4.37Å; I678-K686 CarbonylContact C-O 3.56Å; I678-K686 VanDerWaalsContact CA-O 3.28Å; I678-K686 WeakPolarHBondContact CA-O 3.43Å; I678-K686 WeakPolarHBondContact CG2-O 3.39Å; K679-K686 PolarHBondContact N-O 2.93Å
687	C	79.4	Confident	78.2	Confident	11 Å²	11	64.3 Å²	64.3	7%	0.074	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	118.9	-178.9	-179.7	0	0	0	0	111.2	L642 P676 T685	L642-C687 HydrophobicContact CB-CB 3.87Å; P676-C687 WeakPolarHBondContact CB-SG 3.28Å; T685-C687 WeakPolarHBondContact CG2-O 3.45Å; T685-C687 PolarHBondContact O-N 3.33Å
688	R	81.9	Confident	78.4	Confident	126 Å²	126	68.5 Å²	68.5	48%	0.475	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.3	170	-69.7	-174.6	179.6	-170.8	-4.3	108.9	V677 K679	V677-R688 PolarHBondContact N-O 3.25Å; V677-R688 PolarHBondContact O-N 2.79Å; K679-R688 VanDerWaalsContact NZ-NH1 3.18Å
689	I	90.4	Very high	78.7	Confident	5 Å²	5	68.5 Å²	68.5	3%	0.026	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.6	175.4	-59.1	167.2	0	0	0	107.6	Y643 M647 Y650 H674 F691	Y643-I689 HydrophobicContact CD2-CD1 4.33Å; Y643-I689 HydrophobicContact CD2-CG1 4.29Å; Y643-I689 HydrophobicContact CE2-CD1 4.46Å; M647-I689 HydrophobicContact CB-CD1 4.36Å; M647-I689 HydrophobicContact CE-CD1 4Å; M647-I689 HydrophobicContact CE-CG2 3.73Å; M647-I689 HydrophobicContact CG-CD1 3.62Å; M647-I689 HydrophobicContact SD-CD1 3.66Å; Y650-I689 HydrophobicContact CE2-CD1 4.42Å; H674-I689 HydrophobicContact CB-CG2 4.1Å; I689-F691 HydrophobicContact CB-CE2 4.13Å; I689-F691 HydrophobicContact CG2-CD2 4.25Å; I689-F691 HydrophobicContact CG2-CE1 4.47Å; I689-F691 HydrophobicContact CG2-CE2 3.58Å; I689-F691 HydrophobicContact CG2-CZ 3.72Å
690	V	90.3	Very high	79.6	Confident	31 Å²	31	66.1 Å²	66.1	19%	0.188	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.4	179.6	179.1	0	0	0	0	108.4	H674 H675 V677 F774	H674-V690 CarbonylContact C-O 3.57Å; H674-V690 WeakPolarHBondContact CA-O 3.41Å; H674-V690 VanDerWaalsContact CB-O 3.28Å; H674-V690 WeakPolarHBondContact CB-O 3.38Å; H675-V690 PolarHBondContact N-O 3.01Å; H675-V690 PolarHBondContact O-N 3.2Å; V677-V690 HydrophobicContact CB-CG2 4.4Å; V677-V690 HydrophobicContact CG2-CG2 3.65Å; V690-F774 HydrophobicContact CG1-CD1 4.27Å; V690-F774 HydrophobicContact CG1-CE1 4.26Å; V690-F774 HydrophobicContact CG2-CE1 4.44Å
691	F	95.8	Very high	81.1	Confident	1 Å²	1	60.2 Å²	60.2	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.7	175	-63.8	-95.4	0	0	0	108.8	M647 Y650 L672 P673 H674 I689 G693 F753 F769 G775	M647-F691 HydrophobicContact CE-CE1 4.4Å; M647-F691 HydrophobicContact CE-CZ 4.14Å; M647-F691 HydrophobicContact SD-CZ 4.41Å; Y650-F691 HydrophobicContact CE1-CE2 4.08Å; L672-F691 HydrophobicContact CB-CB 4.14Å; L672-F691 HydrophobicContact CB-CD1 4.23Å; L672-F691 HydrophobicContact CD1-CB 4.07Å; P673-F691 CarbonylContact O-C 3.53Å; H674-F691 HydrophobicContact CB-CD1 3.57Å; H674-F691 HydrophobicContact CB-CE1 3.8Å; H674-F691 HydrophobicContact CB-CG 4.05Å; H674-F691 HydrophobicContact CB-CZ 4.44Å; H674-F691 AromaticContact CG-CE1 3.94Å; I689-F691 HydrophobicContact CB-CE2 4.13Å; I689-F691 HydrophobicContact CG2-CD2 4.25Å; I689-F691 HydrophobicContact CG2-CE1 4.47Å; I689-F691 HydrophobicContact CG2-CE2 3.58Å; I689-F691 HydrophobicContact CG2-CZ 3.72Å; F691-G693 PolarHBondContact O-N 3.37Å; F691-F753 HydrophobicContact CD1-CB 4.24Å; F691-F753 HydrophobicContact CD1-CD1 4.44Å; F691-F753 HydrophobicContact CD1-CG 4.26Å; F691-F753 HydrophobicContact CE1-CB 4.05Å; F691-F753 AromaticContact CE1-CD1 3.81Å; F691-F753 HydrophobicContact CE1-CD1 3.81Å; F691-F753 AromaticContact CE1-CD2 3.82Å; F691-F753 HydrophobicContact CE1-CD2 3.82Å; F691-F753 HydrophobicContact CE1-CE1 4.16Å; F691-F753 HydrophobicContact CE1-CE2 4.16Å; F691-F753 AromaticContact CE1-CG 3.62Å; F691-F753 HydrophobicContact CE1-CG 3.62Å; F691-F753 HydrophobicContact CE1-CZ 4.32Å; F691-F753 HydrophobicContact CZ-CZ 4.48Å; F691-F769 AromaticContact CD1-CE2 3.75Å; F691-F769 HydrophobicContact CD1-CE2 3.75Å; F691-F769 HydrophobicContact CD1-CZ 4.16Å; F691-F769 HydrophobicContact CD2-CE2 4.08Å; F691-F769 AromaticContact CD2-CZ 3.74Å; F691-F769 HydrophobicContact CD2-CZ 3.74Å; F691-F769 AromaticContact CE1-CE2 3.75Å; F691-F769 HydrophobicContact CE1-CE2 3.75Å; F691-F769 AromaticContact CE1-CZ 3.92Å; F691-F769 HydrophobicContact CE1-CZ 3.92Å; F691-F769 HydrophobicContact CE2-CE2 4.09Å; F691-F769 AromaticContact CE2-CZ 3.48Å; F691-F769 HydrophobicContact CE2-CZ 3.48Å; F691-F769 VanDerWaalsContact CE2-CZ 3.48Å; F691-F769 AromaticContact CG-CE2 3.93Å; F691-F769 HydrophobicContact CG-CE2 3.93Å; F691-F769 HydrophobicContact CG-CZ 4.09Å; F691-F769 AromaticContact CZ-CE2 3.92Å; F691-F769 HydrophobicContact CZ-CE2 3.92Å; F691-F769 AromaticContact CZ-CZ 3.57Å; F691-F769 HydrophobicContact CZ-CZ 3.57Å; F691-G775 WeakPolarHBondContact O-CA 3.47Å
692	D	94.2	Very high	82.9	Confident	46 Å²	46	51.3 Å²	51.3	25%	0.246	29%	0.289	C	S	.	.			trans	-94.9	91.4	-168.2	-174.7	1.7	0	0	0	111.5	P673 S694 A695	P673-D692 PolarHBondContact O-N 3.19Å; D692-S694 PolarHBondContact O-N 3.12Å; D692-S694 WeakPolarHBondContact OD1-CA 3.49Å; D692-S694 WeakPolarHBondContact OD1-CB 3.41Å; D692-S694 PolarHBondContact OD1-N 3.27Å; D692-A695 HydrophobicContact CB-CB 4.39Å; D692-A695 PolarHBondContact OD1-N 3.43Å; D692-A695 VanDerWaalsContact OD1-N 3.08Å
693	G	94.2	Very high	84.6	Confident	1 Å²	1	51 Å²	51	1%	0.01	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.5	173.2	0	0	0	0	0	114.3	F691 L702 N703	F691-G693 PolarHBondContact O-N 3.37Å; G693-L702 PolarHBondContact O-N 3.12Å; G693-N703 VanDerWaalsContact C-ND2 3.27Å; G693-N703 WeakPolarHBondContact O-CB 3.42Å; G693-N703 PolarHBondContact O-N 3.34Å; G693-N703 PolarHBondContact O-ND2 3.36Å
694	S	94.3	Very high	86.5	Confident	69 Å²	69	51.9 Å²	51.9	48%	0.483	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-4.7	-178.1	-62.9	0	0	0	0	113.1	D692 L696 S701 N703	D692-S694 PolarHBondContact O-N 3.12Å; D692-S694 WeakPolarHBondContact OD1-CA 3.49Å; D692-S694 WeakPolarHBondContact OD1-CB 3.41Å; D692-S694 PolarHBondContact OD1-N 3.27Å; S694-L696 PolarHBondContact O-N 3.41Å; S694-S701 WeakPolarHBondContact O-CB 3.27Å; S694-N703 PolarHBondContact OG-ND2 3.35Å
695	A	93	Very high	88.3	Confident	5 Å²	5	49.4 Å²	49.4	4%	0.041	26%	0.263	C	S	.	.			trans	-57.4	122.4	176.7	0	0	0	0	0	111.3	L621 W670 P673 D692 S701	L621-A695 HydrophobicContact CD2-CB 4.43Å; W670-A695 WeakPolarHBondContact CZ2-O 3.49Å; P673-A695 HydrophobicContact CG-CB 3.75Å; D692-A695 HydrophobicContact CB-CB 4.39Å; D692-A695 PolarHBondContact OD1-N 3.43Å; D692-A695 VanDerWaalsContact OD1-N 3.08Å; A695-S701 VanDerWaalsContact O-CB 3.3Å; A695-S701 WeakPolarHBondContact O-CB 3.46Å
696	L	92.5	Very high	89.9	Confident	107 Å²	107	46.2 Å²	46.2	56%	0.56	24%	0.243	S	C	*	.			trans	-82	133	179.9	-65.9	170.7	0	0	0	111.5	L621 S694 V700	L621-L696 VanDerWaalsContact CD2-O 3.27Å; L621-L696 WeakPolarHBondContact CD2-O 3.32Å; S694-L696 PolarHBondContact O-N 3.41Å; L696-V700 CarbonylContact C-O 3.35Å; L696-V700 WeakPolarHBondContact CA-O 3.17Å
697	Y	90.2	Very high	91.1	Very high	53 Å²	53	44 Å²	44	21%	0.208	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-135.2	127.2	167.2	-175.5	-106.6	0	0	0	108.9	P616 N617 N618 L621 G699 V700	P616-Y697 HydrophobicContact CB-CD1 4.09Å; P616-Y697 HydrophobicContact CB-CE1 4.28Å; P616-Y697 HydrophobicContact CG-CD1 4.24Å; N617-Y697 WeakPolarHBondContact O-CE1 3.43Å; N618-Y697 HydrophobicContact CB-CD1 3.61Å; N618-Y697 HydrophobicContact CB-CD2 4.15Å; N618-Y697 HydrophobicContact CB-CE1 4.31Å; N618-Y697 HydrophobicContact CB-CG 3.51Å; L621-Y697 HydrophobicContact CB-CD2 3.84Å; L621-Y697 HydrophobicContact CB-CE2 4.38Å; L621-Y697 HydrophobicContact CD2-CD2 4.24Å; Y697-G699 PolarHBondContact O-N 2.79Å; Y697-V700 PolarHBondContact N-O 2.82Å; Y697-V700 WeakPolarHBondContact O-CG2 3.24Å; Y697-V700 PolarHBondContact O-N 3.08Å; Y697-V700 VanDerWaalsContact O-N 3.1Å; Y697-V700 VanDerWaalsContact O-O 3.11Å
698	Q	89.1	Confident	91.7	Very high	144 Å²	144	48.5 Å²	48.5	67%	0.673	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	39.7	-175.4	-63.6	-179.5	-18	0	0	113.2	P616 V700	P616-Q698 VanDerWaalsContact CB-OE1 3.3Å; Q698-V700 VanDerWaalsContact C-N 3.28Å; Q698-V700 PolarHBondContact O-N 3.26Å
699	G	86.1	Confident	92	Very high	61 Å²	61	43.5 Å²	43.5	63%	0.629	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	-3.4	177.9	0	0	0	0	0	115.6	Y697	Y697-G699 PolarHBondContact O-N 2.79Å
700	V	89.3	Confident	91.8	Very high	41 Å²	41	44 Å²	44	25%	0.248	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-123.8	157	-179	-57.6	0	0	0	0	113.5	P616 L696 Y697 Q698 F705	P616-V700 HydrophobicContact CG-CG2 3.53Å; L696-V700 CarbonylContact C-O 3.35Å; L696-V700 WeakPolarHBondContact CA-O 3.17Å; Y697-V700 PolarHBondContact N-O 2.82Å; Y697-V700 WeakPolarHBondContact O-CG2 3.24Å; Y697-V700 PolarHBondContact O-N 3.08Å; Y697-V700 VanDerWaalsContact O-N 3.1Å; Y697-V700 VanDerWaalsContact O-O 3.11Å; Q698-V700 VanDerWaalsContact C-N 3.28Å; Q698-V700 PolarHBondContact O-N 3.26Å; V700-F705 HydrophobicContact CB-CE2 3.86Å; V700-F705 HydrophobicContact CB-CZ 4.44Å; V700-F705 HydrophobicContact CG1-CE2 4.41Å; V700-F705 HydrophobicContact CG2-CE2 3.91Å; V700-F705 HydrophobicContact CG2-CZ 4.38Å
701	S	93.4	Very high	91.5	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.042	27%	0.266	C	S	.	.			trans	-130.7	159.8	171.3	66.1	0	0	0	0	111.8	S694 A695 N703 Q704 F705	S694-S701 WeakPolarHBondContact O-CB 3.27Å; A695-S701 VanDerWaalsContact O-CB 3.3Å; A695-S701 WeakPolarHBondContact O-CB 3.46Å; S701-N703 VanDerWaalsContact C-N 3.31Å; S701-N703 PolarHBondContact O-N 2.89Å; S701-Q704 WeakPolarHBondContact O-CB 3.47Å; S701-Q704 PolarHBondContact O-N 3.21Å; S701-Q704 VanDerWaalsContact O-N 3.07Å; S701-F705 WeakPolarHBondContact O-CD2 3.34Å
702	L	94.7	Very high	91.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57	-43.6	179.5	178.6	63.7	0	0	0	112.2	W609 L615 W670 L672 G693 Q704 F705 L706 A750 V751 L776	W609-L702 HydrophobicContact CH2-CD1 3.99Å; W609-L702 HydrophobicContact CZ3-CD1 4.16Å; L615-L702 HydrophobicContact CD1-CD1 3.87Å; W670-L702 HydrophobicContact CD2-CB 4.22Å; W670-L702 HydrophobicContact CG-CB 4.11Å; W670-L702 HydrophobicContact CG-CD2 4.47Å; L672-L702 HydrophobicContact CD2-CD2 3.91Å; G693-L702 PolarHBondContact O-N 3.12Å; L702-Q704 PolarHBondContact O-N 2.63Å; L702-Q704 VanDerWaalsContact O-N 3.12Å; L702-F705 PolarHBondContact O-N 3.02Å; L702-L706 HydrophobicContact CD1-CD1 4.43Å; L702-L706 HydrophobicContact CD1-CG 4.5Å; L702-L706 HydrophobicContact CG-CD1 4.06Å; L702-L706 HydrophobicContact CG-CG 4.49Å; L702-L706 PolarHBondContact O-N 2.9Å; L702-A750 HydrophobicContact CD1-CB 4.32Å; L702-A750 WeakPolarHBondContact CD2-O 3.39Å; L702-V751 HydrophobicContact CD2-CG1 4.41Å; L702-L776 HydrophobicContact CD2-CD2 3.57Å; L702-L776 HydrophobicContact CG-CD2 4.45Å
703	N	94.7	Very high	90.8	Very high	20 Å²	20	49.2 Å²	49.2	11%	0.107	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-21	179.3	-77.8	-20.8	0	0	0	113.7	G693 S694 S701 F705 G775 L776 S777	G693-N703 VanDerWaalsContact C-ND2 3.27Å; G693-N703 WeakPolarHBondContact O-CB 3.42Å; G693-N703 PolarHBondContact O-N 3.34Å; G693-N703 PolarHBondContact O-ND2 3.36Å; S694-N703 PolarHBondContact OG-ND2 3.35Å; S701-N703 VanDerWaalsContact C-N 3.31Å; S701-N703 PolarHBondContact O-N 2.89Å; N703-F705 VanDerWaalsContact C-N 3.34Å; N703-G775 PolarHBondContact ND2-O 2.99Å; N703-G775 VanDerWaalsContact ND2-O 3.1Å; N703-L776 VanDerWaalsContact OD1-CA 3.28Å; N703-L776 WeakPolarHBondContact OD1-CA 3.18Å; N703-S777 PolarHBondContact OD1-N 2.7Å; N703-S777 PolarHBondContact OD1-OG 3.23Å
704	Q	92.5	Very high	90.4	Very high	95 Å²	95	53.9 Å²	53.9	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-73.4	-26.7	173.8	-71.3	171.3	-27.5	0	0	112.5	K610 S701 L702	K610-Q704 WeakPolarHBondContact CD-O 3.21Å; K610-Q704 PolarHBondContact NZ-O 3.35Å; S701-Q704 WeakPolarHBondContact O-CB 3.47Å; S701-Q704 PolarHBondContact O-N 3.21Å; S701-Q704 VanDerWaalsContact O-N 3.07Å; L702-Q704 PolarHBondContact O-N 2.63Å; L702-Q704 VanDerWaalsContact O-N 3.12Å
705	F	92.4	Very high	90	Very high	35 Å²	35	55.4 Å²	55.4	15%	0.154	30%	0.297	C	S	.	.	H	α-helix	trans	-87	-10	177.3	-69.9	-94.1	0	0	0	113.9	W609 K610 L615 V700 S701 L702 N703	W609-F705 HydrophobicContact CE3-CB 4.12Å; W609-F705 HydrophobicContact CZ3-CB 3.98Å; K610-F705 PolarHBondContact N-O 3.07Å; L615-F705 HydrophobicContact CD2-CB 4.23Å; L615-F705 HydrophobicContact CD2-CD1 3.95Å; L615-F705 HydrophobicContact CD2-CD2 3.36Å; L615-F705 HydrophobicContact CD2-CE1 4.1Å; L615-F705 HydrophobicContact CD2-CE2 3.53Å; L615-F705 HydrophobicContact CD2-CG 3.58Å; L615-F705 HydrophobicContact CD2-CZ 3.91Å; V700-F705 HydrophobicContact CB-CE2 3.86Å; V700-F705 HydrophobicContact CB-CZ 4.44Å; V700-F705 HydrophobicContact CG1-CE2 4.41Å; V700-F705 HydrophobicContact CG2-CE2 3.91Å; V700-F705 HydrophobicContact CG2-CZ 4.38Å; S701-F705 WeakPolarHBondContact O-CD2 3.34Å; L702-F705 PolarHBondContact O-N 3.02Å; N703-F705 VanDerWaalsContact C-N 3.34Å
706	L	93.4	Very high	89.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-104.6	134.3	-179.9	-59	-179.8	0	0	0	110.8	L607 W609 K610 L702 L776	L607-L706 HydrophobicContact CB-CD2 3.89Å; L607-L706 HydrophobicContact CD1-CD2 4.32Å; W609-L706 HydrophobicContact CD2-CD2 3.98Å; W609-L706 HydrophobicContact CE3-CD2 3.79Å; W609-L706 HydrophobicContact CH2-CD2 4.27Å; W609-L706 HydrophobicContact CZ2-CD2 4.45Å; W609-L706 HydrophobicContact CZ3-CD2 3.94Å; K610-L706 WeakPolarHBondContact CE-O 3.49Å; L702-L706 HydrophobicContact CD1-CD1 4.43Å; L702-L706 HydrophobicContact CD1-CG 4.5Å; L702-L706 HydrophobicContact CG-CD1 4.06Å; L702-L706 HydrophobicContact CG-CG 4.49Å; L702-L706 PolarHBondContact O-N 2.9Å; L706-L776 HydrophobicContact CD1-CB 4.34Å; L706-L776 HydrophobicContact CD1-CD1 4.38Å; L706-L776 HydrophobicContact CD1-CD2 4.35Å
707	E	92.3	Very high	89.6	Confident	66 Å²	66	52.5 Å²	52.5	31%	0.308	28%	0.282	S	S	.	.			trans	-69.9	132.5	167.7	-64.7	-68	-174.2	0	0	109.9	V588 P608 K610 G709 C778	V588-E707 HydrophobicContact CG1-CB 4.39Å; V588-E707 HydrophobicContact CG2-CB 3.94Å; V588-E707 HydrophobicContact CG2-CG 3.94Å; P608-E707 HydrophobicContact CB-CB 4.12Å; P608-E707 HydrophobicContact CG-CB 4.34Å; P608-E707 VanDerWaalsContact CG-O 3.22Å; P608-E707 WeakPolarHBondContact CG-O 3.41Å; P608-E707 PolarHBondContact O-N 3.36Å; K610-E707 VanDerWaalsContact CE-OE2 3.29Å; K610-E707 WeakPolarHBondContact CE-OE2 3.48Å; K610-E707 HydrophobicContact CG-CG 3.77Å; E707-G709 PolarHBondContact O-N 3.29Å; E707-C778 WeakPolarHBondContact O-CB 3Å
708	I	91.4	Very high	89.6	Confident	106 Å²	106	50.4 Å²	50.4	54%	0.544	28%	0.277	S	S	.	.			trans	-66.6	-32.5	-179.2	-55.5	-177.6	0	0	0	110.7	F781	I708-F781 VanDerWaalsContact O-CB 3.25Å; I708-F781 WeakPolarHBondContact O-CB 3.28Å
709	G	88.4	Confident	89.7	Confident	22 Å²	22	43.6 Å²	43.6	23%	0.227	25%	0.245	C	C	.	.			trans	83.2	165.9	-171.1	0	0	0	0	0	112.6	E707	E707-G709 PolarHBondContact O-N 3.29Å
710	P	86.5	Confident	90.1	Very high	14 Å²	14	40.7 Å²	40.7	9%	0.091	22%	0.215	C	C	.	.			trans	-70.8	152.3	178	29.7	-34.3	0	0	0	111.8	E583 M589 L712 F781	E583-P710 VanDerWaalsContact OE2-CB 3.3Å; E583-P710 WeakPolarHBondContact OE2-CB 3.38Å; M589-P710 HydrophobicContact CG-CG 3.73Å; M589-P710 HydrophobicContact SD-CG 3.82Å; P710-L712 HydrophobicContact CB-CD2 4.49Å; P710-L712 HydrophobicContact CG-CD2 4.01Å; P710-L712 HydrophobicContact CG-CG 4.37Å; P710-L712 PolarHBondContact O-N 2.95Å; P710-F781 HydrophobicContact CG-CD2 4.38Å; P710-F781 HydrophobicContact CG-CE2 4.35Å
711	P	83.8	Confident	90.2	Very high	86 Å²	86	43.9 Å²	43.9	56%	0.558	23%	0.231	S	C	*	.			trans	-70.7	95.2	175	30.4	-34.3	0	0	0	110.9	E583 Q713	E583-P711 WeakPolarHBondContact OE1-CD 3.32Å; P711-Q713 VanDerWaalsContact C-N 3.34Å
712	L	88.4	Confident	90.2	Very high	29 Å²	29	47 Å²	47	15%	0.152	24%	0.241	C	C	.	.			trans	-85.8	-2.1	179.6	-60.9	-176	0	0	0	114.2	M589 P710 F781 I784 A785 Q788	M589-L712 HydrophobicContact CE-CD1 4.45Å; M589-L712 HydrophobicContact SD-CD1 4.12Å; M589-L712 HydrophobicContact SD-CD2 4.27Å; P710-L712 HydrophobicContact CB-CD2 4.49Å; P710-L712 HydrophobicContact CG-CD2 4.01Å; P710-L712 HydrophobicContact CG-CG 4.37Å; P710-L712 PolarHBondContact O-N 2.95Å; L712-F781 HydrophobicContact CD1-CD2 3.76Å; L712-F781 HydrophobicContact CD1-CE2 3.88Å; L712-F781 HydrophobicContact CG-CD2 4.18Å; L712-I784 HydrophobicContact CB-CB 4.18Å; L712-I784 HydrophobicContact CB-CG2 3.58Å; L712-A785 HydrophobicContact CD1-CB 3.6Å; L712-Q788 PolarHBondContact O-NE2 3.36Å; L712-Q788 VanDerWaalsContact O-NE2 3.08Å
713	Q	85.9	Confident	90.2	Very high	74 Å²	74	47 Å²	47	35%	0.346	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-61.2	138.6	178.6	-62.4	81.4	5.9	0	0	110.1	P711 I784 Y810 V811	P711-Q713 VanDerWaalsContact C-N 3.34Å; Q713-I784 HydrophobicContact CG-CD1 3.66Å; Q713-Y810 HydrophobicContact CB-CE2 4.16Å; Q713-V811 HydrophobicContact CG-CG2 4.29Å
714	R	86.8	Confident	90.1	Very high	99 Å²	99	50.7 Å²	50.7	37%	0.374	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-74.5	152.1	171.6	-63.8	-54	-173.4	-166	-5	110.5	L716 I719 L806	R714-L716 PolarHBondContact O-N 3.34Å; R714-L716 VanDerWaalsContact O-N 3.16Å; R714-I719 HydrophobicContact CB-CD1 3.96Å; R714-I719 HydrophobicContact CB-CG1 4.3Å; R714-L806 PolarHBondContact NE-O 2.99Å; R714-L806 PolarHBondContact NH2-O 3.44Å
715	D	85	Confident	90.1	Very high	100 Å²	100	52.8 Å²	52.8	54%	0.535	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-56.6	119.7	177.3	174.6	47.2	0	0	0	110.8	V717 G718 I719	D715-V717 VanDerWaalsContact C-N 3.31Å; D715-V717 PolarHBondContact O-N 2.92Å; D715-G718 PolarHBondContact O-N 3.02Å; D715-G718 WeakPolarHBondContact OD2-CA 3.38Å; D715-G718 PolarHBondContact OD2-N 3.44Å; D715-I719 WeakPolarHBondContact O-CG1 3.49Å; D715-I719 PolarHBondContact O-N 3.42Å
716	L	88.3	Confident	90.2	Very high	26 Å²	26	54.3 Å²	54.3	14%	0.136	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-42	-175.1	-177.6	68	0	0	0	111.2	R714 I719 L720 Y810 L870 F907 P909	R714-L716 PolarHBondContact O-N 3.34Å; R714-L716 VanDerWaalsContact O-N 3.16Å; L716-I719 PolarHBondContact O-N 3.44Å; L716-L720 HydrophobicContact CG-CD1 4.35Å; L716-L720 WeakPolarHBondContact O-CG 3.28Å; L716-L720 PolarHBondContact O-N 3.48Å; L716-Y810 HydrophobicContact CB-CE2 4.22Å; L716-Y810 HydrophobicContact CD1-CD1 4.38Å; L716-Y810 HydrophobicContact CD1-CD2 4.05Å; L716-Y810 HydrophobicContact CD1-CE1 4.38Å; L716-Y810 HydrophobicContact CD1-CE2 4.05Å; L716-Y810 HydrophobicContact CD1-CG 4.21Å; L716-L870 HydrophobicContact CD1-CB 3.89Å; L716-L870 HydrophobicContact CD1-CD1 4.1Å; L716-L870 HydrophobicContact CD1-CD2 4.5Å; L716-L870 HydrophobicContact CD1-CG 4.38Å; L716-F907 HydrophobicContact CD2-CE1 4.27Å; L716-F907 HydrophobicContact CD2-CZ 3.6Å; L716-P909 HydrophobicContact CD2-CB 3.91Å
717	V	88.5	Confident	90.1	Very high	25 Å²	25	63 Å²	63	15%	0.152	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-47.2	179.1	179.8	0	0	0	0	109.7	I575 D715 I719 L720 L721 P909 L910	I575-V717 HydrophobicContact CG2-CG1 3.95Å; I575-V717 HydrophobicContact CG2-CG2 4.47Å; D715-V717 VanDerWaalsContact C-N 3.31Å; D715-V717 PolarHBondContact O-N 2.92Å; V717-I719 VanDerWaalsContact C-N 3.32Å; V717-I719 PolarHBondContact O-N 2.96Å; V717-L720 PolarHBondContact O-N 2.96Å; V717-L720 VanDerWaalsContact O-N 3.16Å; V717-L721 HydrophobicContact CG1-CD1 4.01Å; V717-L721 HydrophobicContact CG1-CG 4.32Å; V717-L721 WeakPolarHBondContact O-CG 3.41Å; V717-L721 PolarHBondContact O-N 3.42Å; V717-P909 VanDerWaalsContact CG2-O 3.3Å; V717-P909 WeakPolarHBondContact CG2-O 3.4Å; V717-L910 HydrophobicContact CG1-CD2 4.13Å
718	G	90.1	Very high	90.2	Very high	10 Å²	10	61.7 Å²	61.7	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-40	176.3	0	0	0	0	0	113.1	D715 R722	D715-G718 PolarHBondContact O-N 3.02Å; D715-G718 WeakPolarHBondContact OD2-CA 3.38Å; D715-G718 PolarHBondContact OD2-N 3.44Å; G718-R722 VanDerWaalsContact C-CZ 3.43Å; G718-R722 WeakPolarHBondContact O-CB 3.47Å; G718-R722 WeakPolarHBondContact O-CG 3.46Å; G718-R722 PolarHBondContact O-N 2.72Å; G718-R722 PolarHBondContact O-NH1 3.48Å; G718-R722 VanDerWaalsContact O-NH1 3.16Å
719	I	93.1	Very high	90.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-48.6	174.1	-63.2	171.5	0	0	0	110.3	R714 D715 L716 V717 L721 R722 F723 Y810 V815 L870	R714-I719 HydrophobicContact CB-CD1 3.96Å; R714-I719 HydrophobicContact CB-CG1 4.3Å; D715-I719 WeakPolarHBondContact O-CG1 3.49Å; D715-I719 PolarHBondContact O-N 3.42Å; L716-I719 PolarHBondContact O-N 3.44Å; V717-I719 VanDerWaalsContact C-N 3.32Å; V717-I719 PolarHBondContact O-N 2.96Å; I719-L721 VanDerWaalsContact C-N 3.33Å; I719-L721 PolarHBondContact O-N 3.41Å; I719-R722 CarbonylContact O-C 3.53Å; I719-R722 PolarHBondContact O-N 2.9Å; I719-R722 VanDerWaalsContact O-N 3.17Å; I719-F723 WeakPolarHBondContact O-CB 3.48Å; I719-F723 PolarHBondContact O-N 3.16Å; I719-Y810 HydrophobicContact CD1-CD2 4.03Å; I719-Y810 HydrophobicContact CD1-CG 4.33Å; I719-V815 HydrophobicContact CG2-CB 4.33Å; I719-L870 HydrophobicContact CB-CD1 4.19Å; I719-L870 HydrophobicContact CG2-CD1 3.53Å
720	L	92.5	Very high	90.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-39.8	-179.7	-72.7	172.2	0	0	0	112.3	L716 V717 F723 R724 L870 L872 P909 L910	L716-L720 HydrophobicContact CG-CD1 4.35Å; L716-L720 WeakPolarHBondContact O-CG 3.28Å; L716-L720 PolarHBondContact O-N 3.48Å; V717-L720 PolarHBondContact O-N 2.96Å; V717-L720 VanDerWaalsContact O-N 3.16Å; L720-F723 WeakPolarHBondContact O-CB 3.39Å; L720-F723 PolarHBondContact O-N 3.02Å; L720-R724 WeakPolarHBondContact O-CG 3.3Å; L720-R724 PolarHBondContact O-N 3.32Å; L720-L870 HydrophobicContact CD2-CB 4.17Å; L720-L870 HydrophobicContact CD2-CD1 4.12Å; L720-L870 HydrophobicContact CG-CD1 4.4Å; L720-L872 HydrophobicContact CD1-CD1 3.96Å; L720-L872 HydrophobicContact CD2-CD1 3.98Å; L720-P909 HydrophobicContact CD1-CB 4.02Å; L720-P909 HydrophobicContact CD1-CG 3.63Å; L720-L910 HydrophobicContact CB-CD1 4.32Å; L720-L910 HydrophobicContact CB-CD2 3.86Å; L720-L910 HydrophobicContact CB-CG 4.3Å; L720-L910 HydrophobicContact CD1-CD1 4.44Å; L720-L910 HydrophobicContact CD1-CD2 4.23Å; L720-L910 HydrophobicContact CD1-CG 4.02Å
721	L	92.2	Very high	90.8	Very high	109 Å²	109	55.6 Å²	55.6	57%	0.571	25%	0.252	S	S	*	.	H	α-helix	trans	-64.6	-43.3	174	-69.6	175.4	0	0	0	111.8	V717 I719 F723 R724 R725 L910	V717-L721 HydrophobicContact CG1-CD1 4.01Å; V717-L721 HydrophobicContact CG1-CG 4.32Å; V717-L721 WeakPolarHBondContact O-CG 3.41Å; V717-L721 PolarHBondContact O-N 3.42Å; I719-L721 VanDerWaalsContact C-N 3.33Å; I719-L721 PolarHBondContact O-N 3.41Å; L721-F723 VanDerWaalsContact C-N 3.31Å; L721-F723 PolarHBondContact O-N 3.37Å; L721-R724 PolarHBondContact O-N 2.64Å; L721-R725 PolarHBondContact O-N 2.8Å; L721-R725 VanDerWaalsContact O-N 3.12Å; L721-L910 HydrophobicContact CD2-CD2 4.31Å; L721-L910 HydrophobicContact CG-CD2 4.42Å
722	R	94.3	Very high	91.1	Very high	70 Å²	70	51.5 Å²	51.5	26%	0.264	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-34.6	174.3	-75.8	-173.8	-65.5	-81.4	2.2	112.3	G718 I719 R724 R725 K807 N808 S817	G718-R722 VanDerWaalsContact C-CZ 3.43Å; G718-R722 WeakPolarHBondContact O-CB 3.47Å; G718-R722 WeakPolarHBondContact O-CG 3.46Å; G718-R722 PolarHBondContact O-N 2.72Å; G718-R722 PolarHBondContact O-NH1 3.48Å; G718-R722 VanDerWaalsContact O-NH1 3.16Å; I719-R722 CarbonylContact O-C 3.53Å; I719-R722 PolarHBondContact O-N 2.9Å; I719-R722 VanDerWaalsContact O-N 3.17Å; R722-R724 VanDerWaalsContact C-N 3.32Å; R722-R725 VanDerWaalsContact O-CB 3.24Å; R722-R725 WeakPolarHBondContact O-CB 3.44Å; R722-R725 PolarHBondContact O-N 3.07Å; R722-K807 PolarHBondContact NH2-O 2.94Å; R722-N808 WeakPolarHBondContact CD-OD1 3.46Å; R722-N808 PolarHBondContact NE-OD1 3.3Å; R722-S817 PolarHBondContact O-OG 2.92Å
723	F	94.6	Very high	91.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-34.8	174.7	-178.5	-125.5	0	0	0	112.4	I719 L720 L721 R725 V815 M816 S817 T869 W874 L881	I719-F723 WeakPolarHBondContact O-CB 3.48Å; I719-F723 PolarHBondContact O-N 3.16Å; L720-F723 WeakPolarHBondContact O-CB 3.39Å; L720-F723 PolarHBondContact O-N 3.02Å; L721-F723 VanDerWaalsContact C-N 3.31Å; L721-F723 PolarHBondContact O-N 3.37Å; F723-R725 VanDerWaalsContact C-N 3.33Å; F723-V815 HydrophobicContact CB-CG1 3.76Å; F723-V815 HydrophobicContact CD1-CG1 3.69Å; F723-V815 HydrophobicContact CD2-CB 4.45Å; F723-V815 HydrophobicContact CD2-CG1 3.17Å; F723-V815 HydrophobicContact CE1-CG1 4.01Å; F723-V815 HydrophobicContact CE2-CG1 3.52Å; F723-V815 HydrophobicContact CG-CG1 3.25Å; F723-V815 HydrophobicContact CZ-CG1 3.92Å; F723-M816 VanDerWaalsContact CD2-O 3.26Å; F723-M816 WeakPolarHBondContact CD2-O 3.43Å; F723-M816 WeakPolarHBondContact CE2-O 3.43Å; F723-S817 WeakPolarHBondContact O-CB 3.29Å; F723-S817 PolarHBondContact O-OG 3.28Å; F723-T869 HydrophobicContact CE1-CG2 4.21Å; F723-W874 HydrophobicContact CE1-CD2 4.09Å; F723-W874 HydrophobicContact CE1-CE3 4.44Å; F723-W874 HydrophobicContact CE1-CG 4.3Å; F723-W874 HydrophobicContact CE2-CH2 4.33Å; F723-W874 HydrophobicContact CE2-CZ2 4.47Å; F723-W874 AromaticContact CZ-CD2 3.75Å; F723-W874 HydrophobicContact CZ-CD2 3.75Å; F723-W874 AromaticContact CZ-CE2 3.7Å; F723-W874 AromaticContact CZ-CE3 3.81Å; F723-W874 HydrophobicContact CZ-CE3 3.81Å; F723-W874 HydrophobicContact CZ-CG 4.44Å; F723-W874 AromaticContact CZ-CH2 3.81Å; F723-W874 HydrophobicContact CZ-CH2 3.81Å; F723-W874 AromaticContact CZ-CZ2 3.74Å; F723-W874 HydrophobicContact CZ-CZ2 3.74Å; F723-W874 AromaticContact CZ-CZ3 3.85Å; F723-W874 HydrophobicContact CZ-CZ3 3.85Å; F723-L881 HydrophobicContact CE1-CD2 4.31Å
724	R	91.2	Very high	91.5	Very high	98 Å²	98	47.2 Å²	47.2	37%	0.37	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.1	176	-67.9	-55.1	-56.3	135.5	-9.8	114.7	L720 L721 R722 D879 L881	L720-R724 WeakPolarHBondContact O-CG 3.3Å; L720-R724 PolarHBondContact O-N 3.32Å; L721-R724 PolarHBondContact O-N 2.64Å; R722-R724 VanDerWaalsContact C-N 3.32Å; R724-D879 IonicContact CZ-OD2 4Å; R724-D879 VanDerWaalsContact NH1-CG 3.33Å; R724-D879 IonicContact NH1-OD1 3.5Å; R724-D879 PolarHBondContact NH1-OD1 3.31Å; R724-D879 IonicContact NH1-OD2 3.39Å; R724-D879 PolarHBondContact NH1-OD2 2.89Å; R724-D879 PolarHBondContact NH2-O 3.39Å; R724-D879 IonicContact NH2-OD2 2.66Å; R724-D879 PolarHBondContact NH2-OD2 3.11Å; R724-L881 HydrophobicContact CG-CD1 3.71Å
725	R	93.3	Very high	91.6	Very high	139 Å²	139	45.5 Å²	45.5	53%	0.525	20%	0.202	S	C	.	.	S	Bend	trans	-67.2	-39.5	-176.2	-176.2	178.2	59.7	163.7	-0.7	113.6	L721 R722 F723	L721-R725 PolarHBondContact O-N 2.8Å; L721-R725 VanDerWaalsContact O-N 3.12Å; R722-R725 VanDerWaalsContact O-CB 3.24Å; R722-R725 WeakPolarHBondContact O-CB 3.44Å; R722-R725 PolarHBondContact O-N 3.07Å; F723-R725 VanDerWaalsContact C-N 3.33Å
726	F	94.4	Very high	91.8	Very high	68 Å²	68	44.6 Å²	44.6	30%	0.298	19%	0.193	S	C	.	.	S	Bend	trans	-127.1	165.1	-173.4	-58.5	-49.9	0	0	0	113.4	Y728 S817 C818	F726-Y728 PolarHBondContact O-N 3.29Å; F726-S817 WeakPolarHBondContact CD2-O 3.45Å; F726-S817 PolarHBondContact N-OG 2.97Å; F726-C818 VanDerWaalsContact CB-O 3.25Å; F726-C818 WeakPolarHBondContact CB-O 3.32Å
727	R	91.6	Very high	92	Very high	182 Å²	182	43.6 Å²	43.6	69%	0.687	19%	0.187	S	C	*	.	S	Bend	trans	-65	-34.6	-169.4	-179.4	175.3	178.3	145.6	1.8	114.5	N848	R727-N848 PolarHBondContact O-ND2 3.01Å
728	Y	93.1	Very high	92.3	Very high	38 Å²	38	44.1 Å²	44.1	15%	0.149	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	102.5	-174.4	-58.5	-69.8	0	0	0	110.5	F726 S817 C818 K821 N848 M849	F726-Y728 PolarHBondContact O-N 3.29Å; Y728-S817 CarbonylContact O-C 3.58Å; Y728-S817 VanDerWaalsContact O-CA 3.24Å; Y728-S817 WeakPolarHBondContact O-CA 3.31Å; Y728-C818 PolarHBondContact N-O 2.93Å; Y728-C818 PolarHBondContact O-N 3.44Å; Y728-K821 HydrophobicContact CE1-CG 4.17Å; Y728-K821 HydrophobicContact CE2-CG 4.07Å; Y728-N848 WeakPolarHBondContact CA-OD1 3.05Å; Y728-M849 HydrophobicContact CD1-CB 4.24Å; Y728-M849 HydrophobicContact CD1-CE 3.84Å; Y728-M849 HydrophobicContact CE1-CE 4.31Å; Y728-M849 HydrophobicContact CG-CE 4.01Å
729	G	93.6	Very high	92.4	Very high	2 Å²	2	44.4 Å²	44.4	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	142.9	174.6	0	0	0	0	0	111.1	S847 N848 W874	G729-S847 VanDerWaalsContact O-CA 3.24Å; G729-S847 WeakPolarHBondContact O-CA 3.15Å; G729-S847 VanDerWaalsContact O-CB 3.28Å; G729-S847 WeakPolarHBondContact O-CB 3.32Å; G729-S847 PolarHBondContact O-OG 3.01Å; G729-N848 PolarHBondContact N-OD1 2.73Å; G729-N848 VanDerWaalsContact N-OD1 3.07Å; G729-W874 WeakPolarHBondContact O-CH2 3.5Å
730	I	92.5	Very high	92.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.1	171.5	-60.4	168.3	0	0	0	109.1	V815 M816 A824 W845 V846 F852	I730-V815 WeakPolarHBondContact O-CA 3.34Å; I730-M816 HydrophobicContact CB-CE 3.91Å; I730-M816 HydrophobicContact CB-CG 3.99Å; I730-M816 HydrophobicContact CD1-CE 3.73Å; I730-M816 HydrophobicContact CG1-CE 4.42Å; I730-M816 HydrophobicContact CG2-CE 3.79Å; I730-M816 PolarHBondContact N-O 3.4Å; I730-M816 PolarHBondContact O-N 3.35Å; I730-A824 HydrophobicContact CD1-CB 3.83Å; I730-W845 HydrophobicContact CG2-CE3 3.51Å; I730-W845 HydrophobicContact CG2-CZ3 3.48Å; I730-W845 VanDerWaalsContact CG2-CZ3 3.48Å; I730-V846 WeakPolarHBondContact CA-O 2.98Å; I730-F852 HydrophobicContact CD1-CE2 3.93Å; I730-F852 HydrophobicContact CD1-CZ 3.93Å; I730-F852 HydrophobicContact CG1-CE1 4.41Å; I730-F852 HydrophobicContact CG1-CE2 4.49Å; I730-F852 HydrophobicContact CG1-CZ 4.15Å; I730-F852 HydrophobicContact CG2-CE1 4.04Å; I730-F852 HydrophobicContact CG2-CZ 3.87Å
731	H	92.9	Very high	92.8	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.056	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135	173.2	178.9	-163.2	0	0	0	109.4	D813 L814 W845 V846 V867 K868 W874	H731-D813 IonicContact NE2-OD1 3.31Å; H731-D813 PolarHBondContact NE2-OD1 3.45Å; H731-L814 CarbonylContact C-O 3.59Å; H731-L814 WeakPolarHBondContact CA-O 2.96Å; H731-L814 PolarHBondContact CD2-O 3.26Å; H731-W845 WeakPolarHBondContact O-CA 3.38Å; H731-V846 PolarHBondContact N-O 2.86Å; H731-V846 PolarHBondContact O-N 2.91Å; H731-V867 VanDerWaalsContact ND1-CG1 3.33Å; H731-V867 WeakPolarHBondContact ND1-CG1 3.49Å; H731-K868 PolarHBondContact CE1-O 3.43Å; H731-K868 VanDerWaalsContact CE1-O 3.3Å; H731-W874 HydrophobicContact CB-CE3 4.48Å; H731-W874 HydrophobicContact CB-CZ3 4.02Å
732	G	91.3	Very high	93	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	162.9	168.4	0	0	0	0	0	111.3	L814	G732-L814 PolarHBondContact N-O 3.11Å; G732-L814 PolarHBondContact O-N 3.46Å
733	D	90.5	Very high	93.1	Very high	11 Å²	11	37.3 Å²	37.3	6%	0.059	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.8	-174.8	170.5	52.6	0	0	0	110.7	E735 D812 L842 T843 K844	D733-E735 PolarHBondContact O-N 3.31Å; D733-D812 WeakPolarHBondContact CA-O 3.3Å; D733-L842 CarbonylContact O-C 3.56Å; D733-L842 WeakPolarHBondContact O-CA 3.38Å; D733-T843 PolarHBondContact N-O 3.43Å; D733-T843 PolarHBondContact O-N 2.96Å; D733-T843 PolarHBondContact O-OG1 3.09Å; D733-K844 HydrophobicContact CB-CB 4.44Å; D733-K844 HydrophobicContact CB-CD 4.14Å; D733-K844 WeakPolarHBondContact OD2-CE 3.48Å; D733-K844 IonicContact OD2-NZ 2.73Å; D733-K844 PolarHBondContact OD2-NZ 3.29Å
734	I	91.8	Very high	93.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	117.4	173.5	-62.8	176.8	0	0	0	109.2	K736 M737 T787 M809 D812 F840 L842	I734-K736 PolarHBondContact O-N 3.09Å; I734-M737 HydrophobicContact CB-CB 4.12Å; I734-M737 HydrophobicContact CB-CG 4.33Å; I734-M737 HydrophobicContact CD1-CE 4.43Å; I734-M737 HydrophobicContact CD1-CG 4.24Å; I734-M737 HydrophobicContact CG2-CB 3.8Å; I734-M737 HydrophobicContact CG2-CG 4.02Å; I734-M737 PolarHBondContact O-N 3.25Å; I734-T787 HydrophobicContact CD1-CG2 4.16Å; I734-M809 HydrophobicContact CD1-CE 3.72Å; I734-M809 HydrophobicContact CD1-SD 3.81Å; I734-M809 HydrophobicContact CG1-CE 4.33Å; I734-D812 HydrophobicContact CB-CB 4.47Å; I734-D812 PolarHBondContact N-O 3.22Å; I734-F840 HydrophobicContact CD1-CB 4.26Å; I734-F840 HydrophobicContact CD1-CD1 4.47Å; I734-F840 HydrophobicContact CG2-CB 4.05Å; I734-F840 HydrophobicContact CG2-CD1 3.95Å; I734-F840 HydrophobicContact CG2-CG 4.48Å; I734-L842 HydrophobicContact CB-CD2 4.47Å; I734-L842 HydrophobicContact CG1-CD2 3.57Å
735	E	90	Very high	93.2	Very high	64 Å²	64	41.5 Å²	41.5	30%	0.299	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	112.7	178.8	-175.1	176.6	-177.7	0	0	111.2	D733 M737 Q740 K841 T843	D733-E735 PolarHBondContact O-N 3.31Å; E735-M737 VanDerWaalsContact C-N 3.32Å; E735-M737 PolarHBondContact O-N 2.91Å; E735-Q740 WeakPolarHBondContact O-CG 3.21Å; E735-Q740 PolarHBondContact O-NE2 3.15Å; E735-K841 PolarHBondContact N-O 3.44Å; E735-K841 IonicContact OE2-NZ 2.82Å; E735-T843 HydrophobicContact CB-CG2 3.83Å
736	K	88.9	Confident	93.1	Very high	80 Å²	80	38 Å²	38	35%	0.348	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	45.9	175.9	-56.1	173	-175.2	171.7	0	112.3	F655 I734 F738 L739 Q740	F655-K736 HydrophobicContact CE2-CD 3.93Å; F655-K736 HydrophobicContact CZ-CD 4.01Å; I734-K736 PolarHBondContact O-N 3.09Å; K736-F738 VanDerWaalsContact C-N 3.3Å; K736-F738 PolarHBondContact O-N 3.26Å; K736-L739 HydrophobicContact CB-CB 4.19Å; K736-L739 HydrophobicContact CB-CD1 4.28Å; K736-L739 HydrophobicContact CD-CD1 4.31Å; K736-L739 WeakPolarHBondContact O-CA 3.33Å; K736-L739 PolarHBondContact O-N 2.93Å; K736-Q740 PolarHBondContact O-N 2.96Å
737	M	92.8	Very high	93.1	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.025	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-34.3	-52.1	-173	-170.9	-162	-169.3	0	0	115.6	I734 E735 L739 Q740 A783 T787 V811 D812	I734-M737 HydrophobicContact CB-CB 4.12Å; I734-M737 HydrophobicContact CB-CG 4.33Å; I734-M737 HydrophobicContact CD1-CE 4.43Å; I734-M737 HydrophobicContact CD1-CG 4.24Å; I734-M737 HydrophobicContact CG2-CB 3.8Å; I734-M737 HydrophobicContact CG2-CG 4.02Å; I734-M737 PolarHBondContact O-N 3.25Å; E735-M737 VanDerWaalsContact C-N 3.32Å; E735-M737 PolarHBondContact O-N 2.91Å; M737-L739 PolarHBondContact O-N 2.87Å; M737-Q740 WeakPolarHBondContact O-CB 3.33Å; M737-Q740 PolarHBondContact O-N 2.92Å; M737-A783 HydrophobicContact CE-CB 3.97Å; M737-A783 HydrophobicContact CG-CB 4.46Å; M737-A783 HydrophobicContact SD-CB 4.01Å; M737-T787 HydrophobicContact CE-CG2 3.53Å; M737-V811 VanDerWaalsContact CE-O 3.24Å; M737-V811 WeakPolarHBondContact CE-O 3.45Å; M737-V811 VanDerWaalsContact SD-C 3.56Å; M737-V811 HydrophobicContact SD-CG1 3.94Å; M737-V811 VanDerWaalsContact SD-O 3.4Å; M737-D812 HydrophobicContact CB-CB 4.05Å; M737-D812 HydrophobicContact SD-CB 4.25Å
738	F	92.9	Very high	93.2	Very high	37 Å²	37	27.9 Å²	27.9	16%	0.162	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-62.1	-43	-179.4	-53.5	-38.9	0	0	0	112.9	K736 Q740 I741 L772 F774 A783 V811	K736-F738 VanDerWaalsContact C-N 3.3Å; K736-F738 PolarHBondContact O-N 3.26Å; F738-Q740 PolarHBondContact O-N 3.29Å; F738-I741 PolarHBondContact O-N 2.81Å; F738-I741 VanDerWaalsContact O-N 3.08Å; F738-L772 CarbonylContact C-O 3.55Å; F738-L772 VanDerWaalsContact C-O 3.28Å; F738-L772 WeakPolarHBondContact CB-O 3.42Å; F738-L772 WeakPolarHBondContact O-CB 3.47Å; F738-F774 HydrophobicContact CD2-CD2 4.02Å; F738-F774 AromaticContact CE2-CD2 3.69Å; F738-F774 HydrophobicContact CE2-CD2 3.69Å; F738-F774 HydrophobicContact CE2-CE2 4.23Å; F738-A783 HydrophobicContact CD1-CB 3.43Å; F738-A783 VanDerWaalsContact CD1-CB 3.43Å; F738-A783 HydrophobicContact CE1-CB 3.55Å; F738-V811 HydrophobicContact CE1-CG1 4.42Å; F738-V811 HydrophobicContact CZ-CG1 4.27Å
739	L	94.1	Very high	93.2	Very high	16 Å²	16	26.2 Å²	26.2	8%	0.084	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-71.9	-9.6	-178	-61.1	176.2	0	0	0	113	Y650 F655 K736 M737 I741 F769 R771	Y650-L739 HydrophobicContact CE1-CD1 3.99Å; Y650-L739 HydrophobicContact CE1-CD2 4.13Å; F655-L739 HydrophobicContact CB-CD2 4.35Å; F655-L739 HydrophobicContact CD1-CB 4.14Å; F655-L739 HydrophobicContact CD2-CB 4.37Å; F655-L739 HydrophobicContact CD2-CD1 3.64Å; F655-L739 HydrophobicContact CD2-CG 4.41Å; F655-L739 HydrophobicContact CE1-CB 4.09Å; F655-L739 HydrophobicContact CE2-CB 4.34Å; F655-L739 HydrophobicContact CE2-CD1 3.74Å; F655-L739 HydrophobicContact CG-CB 4.28Å; F655-L739 HydrophobicContact CG-CD1 4.23Å; F655-L739 HydrophobicContact CG-CD2 4.4Å; F655-L739 HydrophobicContact CZ-CB 4.19Å; F655-L739 HydrophobicContact CZ-CD1 4.38Å; K736-L739 HydrophobicContact CB-CB 4.19Å; K736-L739 HydrophobicContact CB-CD1 4.28Å; K736-L739 HydrophobicContact CD-CD1 4.31Å; K736-L739 WeakPolarHBondContact O-CA 3.33Å; K736-L739 PolarHBondContact O-N 2.93Å; M737-L739 PolarHBondContact O-N 2.87Å; L739-I741 VanDerWaalsContact C-N 3.28Å; L739-F769 HydrophobicContact CD2-CE1 4.27Å; L739-R771 HydrophobicContact CD2-CB 4.17Å; L739-R771 WeakPolarHBondContact O-CD 3.29Å; L739-R771 VanDerWaalsContact O-CG 3.26Å; L739-R771 WeakPolarHBondContact O-CG 3.3Å
740	Q	95.1	Very high	93.2	Very high	23 Å²	23	26.1 Å²	26.1	11%	0.107	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-79	-11.1	171.8	-54.3	-51.8	-23.5	0	0	113	R602 E735 K736 M737 F738 G839 F840	R602-Q740 WeakPolarHBondContact CD-O 3.48Å; R602-Q740 WeakPolarHBondContact CG-O 3.35Å; R602-Q740 PolarHBondContact NE-O 3.18Å; E735-Q740 WeakPolarHBondContact O-CG 3.21Å; E735-Q740 PolarHBondContact O-NE2 3.15Å; K736-Q740 PolarHBondContact O-N 2.96Å; M737-Q740 WeakPolarHBondContact O-CB 3.33Å; M737-Q740 PolarHBondContact O-N 2.92Å; F738-Q740 PolarHBondContact O-N 3.29Å; Q740-G839 PolarHBondContact OE1-O 3.23Å; Q740-F840 HydrophobicContact CB-CD1 3.83Å; Q740-F840 HydrophobicContact CB-CE1 3.88Å; Q740-F840 HydrophobicContact CG-CD1 4.31Å
741	I	97.2	Very high	93.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-102.4	127.8	-178.4	-59.1	170.1	0	0	0	109.1	V605 F738 L739 R771 L772 A783 V786 F840	V605-I741 HydrophobicContact CB-CG2 4.35Å; V605-I741 HydrophobicContact CG1-CG2 3.76Å; V605-I741 HydrophobicContact CG2-CG2 3.72Å; F738-I741 PolarHBondContact O-N 2.81Å; F738-I741 VanDerWaalsContact O-N 3.08Å; L739-I741 VanDerWaalsContact C-N 3.28Å; I741-R771 CarbonylContact O-C 3.45Å; I741-R771 WeakPolarHBondContact O-CA 3.38Å; I741-R771 WeakPolarHBondContact O-CB 3.19Å; I741-L772 HydrophobicContact CB-CB 4.27Å; I741-L772 HydrophobicContact CD1-CD2 4.37Å; I741-L772 PolarHBondContact O-N 3.41Å; I741-A783 VanDerWaalsContact CD1-CA 3.45Å; I741-A783 HydrophobicContact CD1-CB 3.88Å; I741-V786 HydrophobicContact CD1-CB 4Å; I741-V786 HydrophobicContact CD1-CG1 4.29Å; I741-V786 HydrophobicContact CD1-CG2 4.16Å; I741-V786 HydrophobicContact CG1-CG1 4.39Å; I741-V786 HydrophobicContact CG2-CG2 4.4Å; I741-F840 HydrophobicContact CD1-CE1 4.2Å; I741-F840 HydrophobicContact CD1-CZ 4.17Å; I741-F840 HydrophobicContact CG1-CE1 3.84Å; I741-F840 HydrophobicContact CG1-CZ 3.82Å
742	A	97.7	Very high	93.5	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.033	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	146.1	177.7	0	0	0	0	0	111.7	R602 Y603 T604 V605 R771	R602-A742 HydrophobicContact CG-CB 4.36Å; Y603-A742 WeakPolarHBondContact O-CB 3.41Å; Y603-A742 PolarHBondContact O-N 3.44Å; T604-A742 WeakPolarHBondContact CA-O 3.34Å; T604-A742 HydrophobicContact CG2-CB 4.3Å; T604-A742 WeakPolarHBondContact OG1-CB 3.45Å; V605-A742 PolarHBondContact N-O 3.27Å; A742-R771 VanDerWaalsContact CB-NH1 3.32Å
743	L	96.8	Very high	93.7	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.9	173.4	-167.2	66.5	0	0	0	110	V605 L607 D747 R748 V751 T770	V605-L743 HydrophobicContact CG2-CD1 4.47Å; L607-L743 HydrophobicContact CD2-CD1 3.88Å; L607-L743 HydrophobicContact CG-CD1 3.99Å; L743-D747 HydrophobicContact CD1-CB 4.28Å; L743-D747 HydrophobicContact CD2-CB 4.31Å; L743-D747 HydrophobicContact CG-CB 4.14Å; L743-R748 HydrophobicContact CB-CG 4.48Å; L743-R748 HydrophobicContact CD2-CG 4.33Å; L743-R748 HydrophobicContact CG-CG 4.47Å; L743-R748 PolarHBondContact O-NE 2.9Å; L743-R748 PolarHBondContact O-NH2 2.83Å; L743-V751 HydrophobicContact CD2-CG2 3.51Å; L743-T770 PolarHBondContact N-O 3.14Å
744	H	95.3	Very high	94	Very high	61 Å²	61	25.3 Å²	25.3	28%	0.282	12%	0.119	S	C	.	.	P	Polyproline II helix	trans	-58.6	142.4	176.9	-167.4	-82	0	0	0	111.3	T604 V605 R606 D746 D747 R748	T604-H744 HydrophobicContact CG2-CB 4.05Å; V605-H744 WeakPolarHBondContact O-CB 3.31Å; V605-H744 PolarHBondContact O-N 2.89Å; R606-H744 HydrophobicContact CG-CB 3.73Å; H744-D746 VanDerWaalsContact C-N 3.32Å; H744-D746 IonicContact CE1-OD2 2.62Å; H744-D746 PolarHBondContact CE1-OD2 3.14Å; H744-D746 PolarHBondContact ND1-N 3.18Å; H744-D746 IonicContact ND1-OD2 3.75Å; H744-D746 PolarHBondContact ND1-OD2 3.24Å; H744-D746 PolarHBondContact O-N 2.97Å; H744-D747 PolarHBondContact O-N 2.86Å; H744-R748 WeakPolarHBondContact O-CG 3.39Å; H744-R748 PolarHBondContact O-N 3.12Å
745	E	92.6	Very high	94.1	Very high	125 Å²	125	26.1 Å²	26.1	58%	0.584	12%	0.122	S	C	*	.	H	α-helix	trans	-56.7	-42.7	-171.5	-65.8	-177.4	178.6	0	0	113	D747 R748	E745-D747 PolarHBondContact O-N 3.5Å; E745-D747 VanDerWaalsContact O-N 3.09Å; E745-R748 PolarHBondContact O-N 3.24Å; E745-R748 VanDerWaalsContact O-N 3.17Å
746	D	90.1	Very high	94.2	Very high	66 Å²	66	25.1 Å²	25.1	35%	0.353	12%	0.115	S	C	.	.	H	α-helix	trans	-56.1	-24.4	177.1	-62	-20	0	0	0	115.1	R606 S666 H744	R606-D746 IonicContact NH1-OD2 2.78Å; S666-D746 PolarHBondContact OG-O 3.11Å; S666-D746 VanDerWaalsContact OG-O 3.09Å; H744-D746 VanDerWaalsContact C-N 3.32Å; H744-D746 IonicContact CE1-OD2 2.62Å; H744-D746 PolarHBondContact CE1-OD2 3.14Å; H744-D746 PolarHBondContact ND1-N 3.18Å; H744-D746 IonicContact ND1-OD2 3.75Å; H744-D746 PolarHBondContact ND1-OD2 3.24Å; H744-D746 PolarHBondContact O-N 2.97Å
747	D	93.6	Very high	93.9	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.037	12%	0.118	C	C	.	.	H	α-helix	trans	-101.2	-12.8	-175.8	-70.3	-39.5	0	0	0	113.1	R606 L607 W609 L743 H744 E745 D749 A750	R606-D747 WeakPolarHBondContact CA-OD2 3.23Å; R606-D747 WeakPolarHBondContact CB-OD2 3.24Å; L607-D747 HydrophobicContact CB-CB 4.37Å; L607-D747 HydrophobicContact CD1-CB 4.03Å; L607-D747 HydrophobicContact CG-CB 3.91Å; L607-D747 PolarHBondContact N-OD2 2.81Å; W609-D747 PolarHBondContact NE1-OD1 3.42Å; L743-D747 HydrophobicContact CD1-CB 4.28Å; L743-D747 HydrophobicContact CD2-CB 4.31Å; L743-D747 HydrophobicContact CG-CB 4.14Å; H744-D747 PolarHBondContact O-N 2.86Å; E745-D747 PolarHBondContact O-N 3.5Å; E745-D747 VanDerWaalsContact O-N 3.09Å; D747-D749 PolarHBondContact O-N 3.23Å; D747-A750 WeakPolarHBondContact O-CB 3.32Å; D747-A750 PolarHBondContact O-N 3.09Å; D747-A750 VanDerWaalsContact O-N 3.12Å
748	R	94.3	Very high	93	Very high	31 Å²	31	34.6 Å²	34.6	12%	0.117	16%	0.158	C	C	.	.	H	α-helix	trans	-63.7	-30.2	-174.7	-60.9	-172.7	-174.9	167.4	9.1	112.7	E657 L743 H744 E745 A750 V751 R768 F769	E657-R748 IonicContact OE1-NH1 2.8Å; E657-R748 PolarHBondContact OE1-NH1 2.91Å; E657-R748 IonicContact OE2-NH1 3.32Å; E657-R748 PolarHBondContact OE2-NH1 2.77Å; E657-R748 VanDerWaalsContact OE2-NH1 3.11Å; L743-R748 HydrophobicContact CB-CG 4.48Å; L743-R748 HydrophobicContact CD2-CG 4.33Å; L743-R748 HydrophobicContact CG-CG 4.47Å; L743-R748 PolarHBondContact O-NE 2.9Å; L743-R748 PolarHBondContact O-NH2 2.83Å; H744-R748 WeakPolarHBondContact O-CG 3.39Å; H744-R748 PolarHBondContact O-N 3.12Å; E745-R748 PolarHBondContact O-N 3.24Å; E745-R748 VanDerWaalsContact O-N 3.17Å; R748-A750 PolarHBondContact O-N 3.2Å; R748-V751 CarbonylContact O-C 3.51Å; R748-V751 WeakPolarHBondContact O-CG2 3.36Å; R748-V751 PolarHBondContact O-N 2.79Å; R748-V751 VanDerWaalsContact O-N 3.1Å; R748-R768 HydrophobicContact CB-CG 4.15Å; R748-R768 WeakPolarHBondContact O-CB 3.36Å; R748-F769 WeakPolarHBondContact CB-O 3.26Å; R748-F769 VanDerWaalsContact CG-O 3.26Å; R748-F769 WeakPolarHBondContact CG-O 3.5Å
749	D	93	Very high	91.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.011	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-71.9	-18.2	179.4	-75.8	-27.2	0	0	0	113.9	A664 R668 H669 W670 D747 V751 R752 R768	A664-D749 VanDerWaalsContact CA-OD2 3.28Å; A664-D749 WeakPolarHBondContact CA-OD2 3.42Å; A664-D749 HydrophobicContact CB-CB 4.06Å; A664-D749 WeakPolarHBondContact CB-OD2 3.25Å; R668-D749 CarbonylContact O-C 3.56Å; R668-D749 VanDerWaalsContact O-C 3.31Å; R668-D749 WeakPolarHBondContact O-CB 3.34Å; H669-D749 VanDerWaalsContact CA-O 3.31Å; H669-D749 WeakPolarHBondContact CA-O 3.43Å; W670-D749 PolarHBondContact N-O 2.95Å; D747-D749 PolarHBondContact O-N 3.23Å; D749-V751 PolarHBondContact O-N 3.31Å; D749-R752 WeakPolarHBondContact O-CG 3.43Å; D749-R752 IonicContact OD1-CZ 2.81Å; D749-R752 VanDerWaalsContact OD1-CZ 3.23Å; D749-R752 IonicContact OD1-NE 3.56Å; D749-R752 PolarHBondContact OD1-NE 3.49Å; D749-R752 IonicContact OD1-NH2 3.32Å; D749-R752 PolarHBondContact OD1-NH2 2.94Å; D749-R752 IonicContact OD2-CZ 3.61Å; D749-R752 IonicContact OD2-NH2 3.53Å; D749-R752 PolarHBondContact OD2-NH2 2.99Å; D749-R768 WeakPolarHBondContact OD1-CD 3.35Å; D749-R768 IonicContact OD1-CZ 2.76Å; D749-R768 IonicContact OD1-NH1 2.71Å; D749-R768 PolarHBondContact OD1-NH1 2.85Å; D749-R768 IonicContact OD2-NH1 3.6Å
750	A	93.6	Very high	90.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-75.5	-6.7	170.8	0	0	0	0	0	113.3	L607 W609 L615 R668 W670 L702 D747 R748	L607-A750 HydrophobicContact CD1-CB 4.17Å; W609-A750 HydrophobicContact CH2-CB 3.51Å; W609-A750 HydrophobicContact CZ2-CB 3.62Å; L615-A750 HydrophobicContact CD1-CB 4.48Å; R668-A750 PolarHBondContact O-N 2.91Å; W670-A750 WeakPolarHBondContact CB-O 3.43Å; L702-A750 HydrophobicContact CD1-CB 4.32Å; L702-A750 WeakPolarHBondContact CD2-O 3.39Å; D747-A750 WeakPolarHBondContact O-CB 3.32Å; D747-A750 PolarHBondContact O-N 3.09Å; D747-A750 VanDerWaalsContact O-N 3.12Å; R748-A750 PolarHBondContact O-N 3.2Å
751	V	95.6	Very high	89.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-129.8	42.1	-177.3	-67.7	0	0	0	0	110.8	L607 L672 L702 L743 R748 D749 F769 L776	L607-V751 HydrophobicContact CD1-CG1 4.45Å; L672-V751 HydrophobicContact CD1-CB 4.06Å; L672-V751 HydrophobicContact CD1-CG1 4.17Å; L702-V751 HydrophobicContact CD2-CG1 4.41Å; L743-V751 HydrophobicContact CD2-CG2 3.51Å; R748-V751 CarbonylContact O-C 3.51Å; R748-V751 WeakPolarHBondContact O-CG2 3.36Å; R748-V751 PolarHBondContact O-N 2.79Å; R748-V751 VanDerWaalsContact O-N 3.1Å; D749-V751 PolarHBondContact O-N 3.31Å; V751-F769 HydrophobicContact CB-CB 4.18Å; V751-F769 HydrophobicContact CB-CD2 4.25Å; V751-F769 HydrophobicContact CG2-CB 3.66Å; V751-F769 WeakPolarHBondContact O-CD2 3.33Å; V751-F769 PolarHBondContact O-N 3.46Å; V751-L776 HydrophobicContact CG1-CD1 3.94Å; V751-L776 HydrophobicContact CG1-CD2 4.35Å
752	R	95.9	Very high	88.6	Confident	1 Å²	1	46.7 Å²	46.7	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	159.7	170.8	-66.9	172.4	176.9	-168.6	2.3	110.3	V659 Y662 W670 Y671 L672 D749 V766 F767 R768	V659-R752 HydrophobicContact CG2-CG 4.34Å; Y662-R752 PolarHBondContact O-NH1 3.22Å; Y662-R752 VanDerWaalsContact O-NH1 3.15Å; Y662-R752 PolarHBondContact O-NH2 2.81Å; W670-R752 WeakPolarHBondContact O-CA 3.33Å; W670-R752 VanDerWaalsContact O-CB 3.31Å; W670-R752 WeakPolarHBondContact O-CB 3.3Å; W670-R752 PolarHBondContact O-N 3.47Å; Y671-R752 CarbonylContact C-O 3.55Å; Y671-R752 VanDerWaalsContact CA-O 3.29Å; Y671-R752 WeakPolarHBondContact CA-O 3.37Å; Y671-R752 HydrophobicContact CD1-CB 3.82Å; Y671-R752 HydrophobicContact CE1-CB 4.02Å; Y671-R752 HydrophobicContact CG-CB 4.38Å; L672-R752 PolarHBondContact N-O 3.28Å; D749-R752 WeakPolarHBondContact O-CG 3.43Å; D749-R752 IonicContact OD1-CZ 2.81Å; D749-R752 VanDerWaalsContact OD1-CZ 3.23Å; D749-R752 IonicContact OD1-NE 3.56Å; D749-R752 PolarHBondContact OD1-NE 3.49Å; D749-R752 IonicContact OD1-NH2 3.32Å; D749-R752 PolarHBondContact OD1-NH2 2.94Å; D749-R752 IonicContact OD2-CZ 3.61Å; D749-R752 IonicContact OD2-NH2 3.53Å; D749-R752 PolarHBondContact OD2-NH2 2.99Å; R752-V766 HydrophobicContact CB-CG1 4.19Å; R752-V766 HydrophobicContact CG-CG1 4.27Å; R752-F767 CarbonylContact C-O 3.57Å; R752-F767 WeakPolarHBondContact CA-O 3.26Å; R752-R768 HydrophobicContact CG-CB 3.95Å
753	F	96.7	Very high	88	Confident	3 Å²	3	52.6 Å²	52.6	1%	0.013	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	164.5	166.4	67.1	-83.4	0	0	0	110.1	M647 V656 L672 F691 W755 F767 F769	M647-F753 HydrophobicContact CE-CD2 4.45Å; M647-F753 HydrophobicContact CE-CE2 4.19Å; M647-F753 HydrophobicContact SD-CE2 3.99Å; V656-F753 HydrophobicContact CB-CE1 4.08Å; V656-F753 HydrophobicContact CB-CZ 4.22Å; V656-F753 HydrophobicContact CG1-CE1 3.61Å; V656-F753 HydrophobicContact CG1-CZ 3.9Å; V656-F753 HydrophobicContact CG2-CZ 4.25Å; L672-F753 WeakPolarHBondContact O-CB 3.44Å; F691-F753 HydrophobicContact CD1-CB 4.24Å; F691-F753 HydrophobicContact CD1-CD1 4.44Å; F691-F753 HydrophobicContact CD1-CG 4.26Å; F691-F753 HydrophobicContact CE1-CB 4.05Å; F691-F753 AromaticContact CE1-CD1 3.81Å; F691-F753 HydrophobicContact CE1-CD1 3.81Å; F691-F753 AromaticContact CE1-CD2 3.82Å; F691-F753 HydrophobicContact CE1-CD2 3.82Å; F691-F753 HydrophobicContact CE1-CE1 4.16Å; F691-F753 HydrophobicContact CE1-CE2 4.16Å; F691-F753 AromaticContact CE1-CG 3.62Å; F691-F753 HydrophobicContact CE1-CG 3.62Å; F691-F753 HydrophobicContact CE1-CZ 4.32Å; F691-F753 HydrophobicContact CZ-CZ 4.48Å; F753-W755 HydrophobicContact CD2-CB 4.25Å; F753-W755 HydrophobicContact CE2-CB 3.99Å; F753-F767 HydrophobicContact CD1-CB 3.97Å; F753-F767 HydrophobicContact CD2-CB 4.34Å; F753-F767 HydrophobicContact CE1-CB 3.41Å; F753-F767 VanDerWaalsContact CE1-CB 3.41Å; F753-F767 HydrophobicContact CE1-CG 4.46Å; F753-F767 HydrophobicContact CE2-CB 3.85Å; F753-F767 HydrophobicContact CE2-CD2 4.16Å; F753-F767 HydrophobicContact CE2-CG 4.23Å; F753-F767 HydrophobicContact CG-CB 4.41Å; F753-F767 HydrophobicContact CZ-CB 3.35Å; F753-F767 HydrophobicContact CZ-CD2 4.33Å; F753-F767 AromaticContact CZ-CG 3.94Å; F753-F767 HydrophobicContact CZ-CG 3.94Å; F753-F767 PolarHBondContact N-O 2.95Å; F753-F767 PolarHBondContact O-N 3.43Å; F753-F769 HydrophobicContact CD1-CD2 4.2Å; F753-F769 AromaticContact CD1-CE2 3.9Å; F753-F769 HydrophobicContact CD1-CE2 3.9Å; F753-F769 HydrophobicContact CE1-CD2 4.27Å; F753-F769 AromaticContact CE1-CE2 3.96Å; F753-F769 HydrophobicContact CE1-CE2 3.96Å; F753-F769 HydrophobicContact CE1-CZ 4.42Å
754	L	95.8	Very high	87.8	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.4	-178.7	-54.7	-177.6	0	0	0	109.4	Y619 A622 L623 L626 Y671 H674 P764 V766	Y619-L754 HydrophobicContact CD2-CD1 4.08Å; Y619-L754 HydrophobicContact CD2-CD2 3.91Å; Y619-L754 HydrophobicContact CE2-CD1 3.82Å; Y619-L754 HydrophobicContact CE2-CD2 3.44Å; Y619-L754 VanDerWaalsContact CE2-CD2 3.44Å; Y619-L754 HydrophobicContact CE2-CG 4.28Å; A622-L754 HydrophobicContact CB-CD1 3.95Å; A622-L754 HydrophobicContact CB-CG 4.28Å; L623-L754 HydrophobicContact CB-CD1 3.89Å; L623-L754 HydrophobicContact CD1-CD1 4.47Å; L626-L754 HydrophobicContact CD2-CB 3.91Å; Y671-L754 HydrophobicContact CD1-CD2 3.62Å; Y671-L754 HydrophobicContact CD1-CG 4.16Å; Y671-L754 HydrophobicContact CE1-CD2 3.94Å; H674-L754 PolarHBondContact CE1-O 3.26Å; L754-P764 HydrophobicContact CB-CB 4.04Å; L754-P764 HydrophobicContact CB-CG 4.13Å; L754-P764 HydrophobicContact CD1-CG 4.19Å; L754-V766 HydrophobicContact CD2-CB 4.48Å; L754-V766 HydrophobicContact CD2-CG2 3.72Å
755	W	95.2	Very high	87.7	Confident	18 Å²	18	52 Å²	52	7%	0.068	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	145	172.3	-179.6	55.7	0	0	0	110.8	Y643 M647 R648 V651 F753 T765 F767	Y643-W755 AromaticContact CE1-CD1 3.99Å; Y643-W755 AromaticContact CE1-NE1 3.7Å; Y643-W755 AromaticContact CZ-CD1 3.98Å; Y643-W755 VanDerWaalsContact OH-CD1 3.32Å; M647-W755 HydrophobicContact CB-CD2 3.81Å; M647-W755 VanDerWaalsContact CB-CE2 3.41Å; M647-W755 HydrophobicContact CB-CE3 4.17Å; M647-W755 HydrophobicContact CB-CG 4.44Å; M647-W755 HydrophobicContact CB-CH2 3.9Å; M647-W755 HydrophobicContact CB-CZ2 3.47Å; M647-W755 VanDerWaalsContact CB-CZ2 3.47Å; M647-W755 HydrophobicContact CB-CZ3 4.22Å; M647-W755 HydrophobicContact CG-CD2 4.01Å; M647-W755 HydrophobicContact CG-CG 4.12Å; M647-W755 HydrophobicContact CG-CZ2 4.28Å; M647-W755 HydrophobicContact SD-CG 4.43Å; R648-W755 HydrophobicContact CG-CH2 3.91Å; V651-W755 HydrophobicContact CG2-CZ3 4.21Å; F753-W755 HydrophobicContact CD2-CB 4.25Å; F753-W755 HydrophobicContact CE2-CB 3.99Å; W755-T765 PolarHBondContact N-O 3.01Å; W755-T765 WeakPolarHBondContact O-CA 3.32Å; W755-T765 WeakPolarHBondContact O-CB 3.5Å; W755-T765 PolarHBondContact O-N 3.34Å; W755-F767 HydrophobicContact CB-CD2 4.09Å; W755-F767 HydrophobicContact CB-CE2 4.12Å; W755-F767 HydrophobicContact CD2-CE2 4.49Å; W755-F767 HydrophobicContact CE3-CD2 4.43Å; W755-F767 AromaticContact CE3-CE2 3.65Å; W755-F767 HydrophobicContact CE3-CE2 3.65Å; W755-F767 AromaticContact CE3-CZ 3.91Å; W755-F767 HydrophobicContact CE3-CZ 3.91Å; W755-F767 HydrophobicContact CZ3-CE2 4.49Å; W755-F767 HydrophobicContact CZ3-CZ 4.32Å
756	R	90.6	Very high	87.8	Confident	43 Å²	43	46.1 Å²	46.1	16%	0.162	27%	0.271	C	S	.	.			trans	-138.9	142.6	169.2	52.9	-174.2	168.5	-156.7	-4	109.9	E630 T762 P764	E630-R756 VanDerWaalsContact CD-NE 3.33Å; E630-R756 WeakPolarHBondContact OE1-CD 3.21Å; E630-R756 WeakPolarHBondContact OE1-CG 3.32Å; E630-R756 IonicContact OE1-CZ 2.88Å; E630-R756 IonicContact OE1-NE 3.28Å; E630-R756 PolarHBondContact OE1-NE 3.31Å; E630-R756 IonicContact OE1-NH2 3.7Å; E630-R756 IonicContact OE2-CZ 3.76Å; E630-R756 VanDerWaalsContact OE2-CZ 3.32Å; E630-R756 IonicContact OE2-NE 3.12Å; E630-R756 PolarHBondContact OE2-NE 2.91Å; E630-R756 VanDerWaalsContact OE2-NE 3.17Å; E630-R756 IonicContact OE2-NH2 3.36Å; E630-R756 PolarHBondContact OE2-NH2 3.36Å; R756-T762 VanDerWaalsContact NH1-C 3.35Å; R756-T762 PolarHBondContact NH1-O 2.97Å; R756-P764 HydrophobicContact CB-CB 4.48Å; R756-P764 HydrophobicContact CG-CB 4.43Å
757	E	82.6	Confident	88.1	Confident	85 Å²	85	44 Å²	44	40%	0.397	26%	0.259	S	S	.	.			trans	-77.2	148.2	169.8	-166	155.1	-148.4	0	0	109.8	R648 G759 A760	R648-E757 IonicContact CZ-OE1 3.67Å; R648-E757 IonicContact NE-OE1 3.85Å; R648-E757 PolarHBondContact NE-OE1 2.98Å; R648-E757 IonicContact NH2-OE1 2.67Å; R648-E757 PolarHBondContact NH2-OE1 3.3Å; E757-G759 PolarHBondContact O-N 3.42Å; E757-G759 VanDerWaalsContact O-N 3.08Å; E757-A760 HydrophobicContact CB-CB 4.38Å; E757-A760 VanDerWaalsContact O-CB 3.3Å; E757-A760 WeakPolarHBondContact O-CB 3.3Å; E757-A760 PolarHBondContact O-N 3.32Å
758	K	73.5	Confident	88.2	Confident	199 Å²	199	46.2 Å²	46.2	87%	0.865	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	118.1	-177.8	-172.6	-179.1	-180	-176.7	0	109.5
759	G	68.9	Low	88.3	Confident	81 Å²	81	44.7 Å²	44.7	84%	0.835	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	-3.9	-179.2	0	0	0	0	0	115.3	E757 G761	E757-G759 PolarHBondContact O-N 3.42Å; E757-G759 VanDerWaalsContact O-N 3.08Å; G759-G761 PolarHBondContact O-N 3.04Å; G759-G761 VanDerWaalsContact O-N 3.11Å
760	A	71.4	Confident	88.5	Confident	74 Å²	74	45 Å²	45	61%	0.612	26%	0.263	S	S	*	.	S	Bend	trans	-77	11.6	-176.6	0	0	0	0	0	115.4	E757	E757-A760 HydrophobicContact CB-CB 4.38Å; E757-A760 VanDerWaalsContact O-CB 3.3Å; E757-A760 WeakPolarHBondContact O-CB 3.3Å; E757-A760 PolarHBondContact O-N 3.32Å
761	G	71.2	Confident	88.6	Confident	51 Å²	51	47.3 Å²	47.3	53%	0.526	27%	0.272	S	S	.	.			trans	107.8	-174.6	-179.1	0	0	0	0	0	114.5	G759	G759-G761 PolarHBondContact O-N 3.04Å; G759-G761 VanDerWaalsContact O-N 3.11Å
762	T	75.8	Confident	88.7	Confident	125 Å²	125	47.4 Å²	47.4	77%	0.767	27%	0.272	S	S	*	.	S	Bend	trans	-88.1	-17.7	-173.6	50	0	0	0	0	114.6	R756	R756-T762 VanDerWaalsContact NH1-C 3.35Å; R756-T762 PolarHBondContact NH1-O 2.97Å
763	E	86	Confident	88.5	Confident	128 Å²	128	47.4 Å²	47.4	60%	0.598	27%	0.272	S	S	*	.	S	Bend	trans	-106.5	132.5	-179.9	-76.3	-67.1	151.8	0	0	110.6	Y619	Y619-E763 PolarHBondContact OH-OE2 3.3Å
764	P	92.2	Very high	88.1	Confident	7 Å²	7	52.5 Å²	52.5	5%	0.045	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-73.7	147.1	175.9	31.7	-34.3	0	0	0	112.2	L623 L626 L754 R756	L623-P764 HydrophobicContact CD1-CG 3.75Å; L626-P764 HydrophobicContact CD2-CB 3.73Å; L626-P764 HydrophobicContact CD2-CG 4.31Å; L754-P764 HydrophobicContact CB-CB 4.04Å; L754-P764 HydrophobicContact CB-CG 4.13Å; L754-P764 HydrophobicContact CD1-CG 4.19Å; R756-P764 HydrophobicContact CB-CB 4.48Å; R756-P764 HydrophobicContact CG-CB 4.43Å
765	T	92.9	Very high	87.8	Confident	42 Å²	42	53.6 Å²	53.6	26%	0.258	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	137.6	170.8	-60.7	0	0	0	0	109.5	R658 W755 F767	R658-T765 HydrophobicContact CG-CG2 3.85Å; W755-T765 PolarHBondContact N-O 3.01Å; W755-T765 WeakPolarHBondContact O-CA 3.32Å; W755-T765 WeakPolarHBondContact O-CB 3.5Å; W755-T765 PolarHBondContact O-N 3.34Å; T765-F767 HydrophobicContact CG2-CD2 4.09Å; T765-F767 HydrophobicContact CG2-CE1 4.46Å; T765-F767 HydrophobicContact CG2-CE2 3.53Å; T765-F767 HydrophobicContact CG2-CZ 3.75Å
766	V	94.7	Very high	87.7	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.012	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122	174.2	-175.4	0	0	0	0	109.3	Y619 V659 Y662 Y671 R752 L754	Y619-V766 HydrophobicContact CE2-CG2 4.4Å; V659-V766 HydrophobicContact CB-CB 4.23Å; V659-V766 HydrophobicContact CB-CG1 4Å; V659-V766 HydrophobicContact CG2-CB 4.43Å; V659-V766 HydrophobicContact CG2-CG1 3.77Å; V659-V766 PolarHBondContact N-O 3.09Å; Y662-V766 HydrophobicContact CE1-CB 4.34Å; Y662-V766 HydrophobicContact CE1-CG2 3.76Å; Y671-V766 HydrophobicContact CD1-CG1 4.35Å; Y671-V766 HydrophobicContact CE1-CG1 3.7Å; Y671-V766 HydrophobicContact CE1-CG2 4.18Å; R752-V766 HydrophobicContact CB-CG1 4.19Å; R752-V766 HydrophobicContact CG-CG1 4.27Å; L754-V766 HydrophobicContact CD2-CB 4.48Å; L754-V766 HydrophobicContact CD2-CG2 3.72Å
767	F	95.9	Very high	87.8	Confident	22 Å²	22	52.6 Å²	52.6	10%	0.096	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	157.6	171.6	-68.2	-89.5	0	0	0	109.9	V651 V656 E657 R658 R752 F753 W755 T765	V651-F767 HydrophobicContact CG2-CD1 4.44Å; V651-F767 HydrophobicContact CG2-CE1 3.92Å; V651-F767 HydrophobicContact CG2-CZ 4.38Å; V656-F767 HydrophobicContact CG2-CD1 4.12Å; E657-F767 CarbonylContact O-C 3.5Å; E657-F767 VanDerWaalsContact O-CA 3.29Å; E657-F767 WeakPolarHBondContact O-CA 3.36Å; R658-F767 HydrophobicContact CB-CD1 4.46Å; R658-F767 HydrophobicContact CB-CE1 4.33Å; R752-F767 CarbonylContact C-O 3.57Å; R752-F767 WeakPolarHBondContact CA-O 3.26Å; F753-F767 HydrophobicContact CD1-CB 3.97Å; F753-F767 HydrophobicContact CD2-CB 4.34Å; F753-F767 HydrophobicContact CE1-CB 3.41Å; F753-F767 VanDerWaalsContact CE1-CB 3.41Å; F753-F767 HydrophobicContact CE1-CG 4.46Å; F753-F767 HydrophobicContact CE2-CB 3.85Å; F753-F767 HydrophobicContact CE2-CD2 4.16Å; F753-F767 HydrophobicContact CE2-CG 4.23Å; F753-F767 HydrophobicContact CG-CB 4.41Å; F753-F767 HydrophobicContact CZ-CB 3.35Å; F753-F767 HydrophobicContact CZ-CD2 4.33Å; F753-F767 AromaticContact CZ-CG 3.94Å; F753-F767 HydrophobicContact CZ-CG 3.94Å; F753-F767 PolarHBondContact N-O 2.95Å; F753-F767 PolarHBondContact O-N 3.43Å; W755-F767 HydrophobicContact CB-CD2 4.09Å; W755-F767 HydrophobicContact CB-CE2 4.12Å; W755-F767 HydrophobicContact CD2-CE2 4.49Å; W755-F767 HydrophobicContact CE3-CD2 4.43Å; W755-F767 AromaticContact CE3-CE2 3.65Å; W755-F767 HydrophobicContact CE3-CE2 3.65Å; W755-F767 AromaticContact CE3-CZ 3.91Å; W755-F767 HydrophobicContact CE3-CZ 3.91Å; W755-F767 HydrophobicContact CZ3-CE2 4.49Å; W755-F767 HydrophobicContact CZ3-CZ 4.32Å; T765-F767 HydrophobicContact CG2-CD2 4.09Å; T765-F767 HydrophobicContact CG2-CE1 4.46Å; T765-F767 HydrophobicContact CG2-CE2 3.53Å; T765-F767 HydrophobicContact CG2-CZ 3.75Å
768	R	95.9	Very high	88.4	Confident	53 Å²	53	48.6 Å²	48.6	20%	0.2	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150	168.4	68.3	-177	-176.8	-174.5	2	110.9	V656 E657 V659 R748 D749 R752	V656-R768 CarbonylContact C-O 3.5Å; V656-R768 WeakPolarHBondContact CA-O 3.33Å; V656-R768 WeakPolarHBondContact CB-O 3.48Å; E657-R768 HydrophobicContact CG-CG 3.74Å; E657-R768 PolarHBondContact N-O 3.24Å; E657-R768 PolarHBondContact O-N 2.79Å; E657-R768 IonicContact OE1-CZ 3.66Å; E657-R768 IonicContact OE1-NE 3.76Å; E657-R768 PolarHBondContact OE1-NE 3.27Å; E657-R768 IonicContact OE1-NH2 2.69Å; E657-R768 PolarHBondContact OE1-NH2 2.81Å; V659-R768 HydrophobicContact CG2-CB 3.88Å; V659-R768 HydrophobicContact CG2-CG 3.81Å; R748-R768 HydrophobicContact CB-CG 4.15Å; R748-R768 WeakPolarHBondContact O-CB 3.36Å; D749-R768 WeakPolarHBondContact OD1-CD 3.35Å; D749-R768 IonicContact OD1-CZ 2.76Å; D749-R768 IonicContact OD1-NH1 2.71Å; D749-R768 PolarHBondContact OD1-NH1 2.85Å; D749-R768 IonicContact OD2-NH1 3.6Å; R752-R768 HydrophobicContact CG-CB 3.95Å
769	F	97.4	Very high	89.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	133.4	177.9	-84.3	-83.3	0	0	0	112.2	Y650 V656 F691 L739 R748 V751 F753 R771 C773	Y650-F769 AromaticContact CD1-CE1 3.64Å; Y650-F769 HydrophobicContact CD1-CE1 3.64Å; Y650-F769 HydrophobicContact CD1-CZ 4.05Å; Y650-F769 AromaticContact CE1-CE1 3.61Å; Y650-F769 HydrophobicContact CE1-CE1 3.61Å; Y650-F769 AromaticContact CE1-CZ 3.89Å; Y650-F769 HydrophobicContact CE1-CZ 3.89Å; V656-F769 HydrophobicContact CG1-CD1 3.68Å; V656-F769 HydrophobicContact CG1-CD2 4.5Å; V656-F769 HydrophobicContact CG1-CE1 3.7Å; V656-F769 HydrophobicContact CG1-CG 4.09Å; V656-F769 HydrophobicContact CG1-CZ 4.12Å; F691-F769 AromaticContact CD1-CE2 3.75Å; F691-F769 HydrophobicContact CD1-CE2 3.75Å; F691-F769 HydrophobicContact CD1-CZ 4.16Å; F691-F769 HydrophobicContact CD2-CE2 4.08Å; F691-F769 AromaticContact CD2-CZ 3.74Å; F691-F769 HydrophobicContact CD2-CZ 3.74Å; F691-F769 AromaticContact CE1-CE2 3.75Å; F691-F769 HydrophobicContact CE1-CE2 3.75Å; F691-F769 AromaticContact CE1-CZ 3.92Å; F691-F769 HydrophobicContact CE1-CZ 3.92Å; F691-F769 HydrophobicContact CE2-CE2 4.09Å; F691-F769 AromaticContact CE2-CZ 3.48Å; F691-F769 HydrophobicContact CE2-CZ 3.48Å; F691-F769 VanDerWaalsContact CE2-CZ 3.48Å; F691-F769 AromaticContact CG-CE2 3.93Å; F691-F769 HydrophobicContact CG-CE2 3.93Å; F691-F769 HydrophobicContact CG-CZ 4.09Å; F691-F769 AromaticContact CZ-CE2 3.92Å; F691-F769 HydrophobicContact CZ-CE2 3.92Å; F691-F769 AromaticContact CZ-CZ 3.57Å; F691-F769 HydrophobicContact CZ-CZ 3.57Å; L739-F769 HydrophobicContact CD2-CE1 4.27Å; R748-F769 WeakPolarHBondContact CB-O 3.26Å; R748-F769 VanDerWaalsContact CG-O 3.26Å; R748-F769 WeakPolarHBondContact CG-O 3.5Å; V751-F769 HydrophobicContact CB-CB 4.18Å; V751-F769 HydrophobicContact CB-CD2 4.25Å; V751-F769 HydrophobicContact CG2-CB 3.66Å; V751-F769 WeakPolarHBondContact O-CD2 3.33Å; V751-F769 PolarHBondContact O-N 3.46Å; F753-F769 HydrophobicContact CD1-CD2 4.2Å; F753-F769 AromaticContact CD1-CE2 3.9Å; F753-F769 HydrophobicContact CD1-CE2 3.9Å; F753-F769 HydrophobicContact CE1-CD2 4.27Å; F753-F769 AromaticContact CE1-CE2 3.96Å; F753-F769 HydrophobicContact CE1-CE2 3.96Å; F753-F769 HydrophobicContact CE1-CZ 4.42Å; F769-R771 WeakPolarHBondContact CB-O 3.19Å; F769-C773 HydrophobicContact CD1-CB 3.59Å; F769-C773 HydrophobicContact CD2-CB 3.72Å; F769-C773 HydrophobicContact CE1-CB 3.52Å; F769-C773 HydrophobicContact CE2-CB 3.66Å; F769-C773 HydrophobicContact CG-CB 3.69Å; F769-C773 HydrophobicContact CZ-CB 3.56Å
770	T	97	Very high	90.5	Very high	8 Å²	8	37.5 Å²	37.5	5%	0.049	22%	0.223	C	C	.	.	S	Bend	trans	-96.2	-6.9	167.7	65.4	0	0	0	0	111.7	G654 F655 E657 L743	G654-T770 PolarHBondContact O-OG1 3.45Å; F655-T770 VanDerWaalsContact C-OG1 3.26Å; F655-T770 PolarHBondContact O-N 2.91Å; F655-T770 PolarHBondContact O-OG1 3.31Å; F655-T770 VanDerWaalsContact O-OG1 3.12Å; E657-T770 HydrophobicContact CB-CG2 3.85Å; E657-T770 VanDerWaalsContact CD-CG2 3.45Å; E657-T770 HydrophobicContact CG-CG2 3.63Å; E657-T770 VanDerWaalsContact OE2-CG2 3.29Å; E657-T770 WeakPolarHBondContact OE2-CG2 3.47Å; L743-T770 PolarHBondContact N-O 3.14Å
771	R	96.4	Very high	91.6	Very high	50 Å²	50	34.3 Å²	34.3	19%	0.189	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-128	159.1	-178	-51.8	-62.7	172.1	-137.4	7.8	111	R602 F655 L739 I741 A742 F769 C773	R602-R771 VanDerWaalsContact NH1-NH2 3.19Å; F655-R771 HydrophobicContact CB-CG 4.22Å; F655-R771 HydrophobicContact CD1-CG 3.93Å; F655-R771 HydrophobicContact CG-CG 4.5Å; L739-R771 HydrophobicContact CD2-CB 4.17Å; L739-R771 WeakPolarHBondContact O-CD 3.29Å; L739-R771 VanDerWaalsContact O-CG 3.26Å; L739-R771 WeakPolarHBondContact O-CG 3.3Å; I741-R771 CarbonylContact O-C 3.45Å; I741-R771 WeakPolarHBondContact O-CA 3.38Å; I741-R771 WeakPolarHBondContact O-CB 3.19Å; A742-R771 VanDerWaalsContact CB-NH1 3.32Å; F769-R771 WeakPolarHBondContact CB-O 3.19Å; R771-C773 PolarHBondContact O-N 3.49Å
772	L	95.8	Very high	92.8	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-64.3	117.2	176.5	-175.2	67	0	0	0	110.6	F738 I741 S779 L782	F738-L772 CarbonylContact C-O 3.55Å; F738-L772 VanDerWaalsContact C-O 3.28Å; F738-L772 WeakPolarHBondContact CB-O 3.42Å; F738-L772 WeakPolarHBondContact O-CB 3.47Å; I741-L772 HydrophobicContact CB-CB 4.27Å; I741-L772 HydrophobicContact CD1-CD2 4.37Å; I741-L772 PolarHBondContact O-N 3.41Å; L772-S779 WeakPolarHBondContact CD1-OG 3.37Å; L772-L782 HydrophobicContact CD1-CD1 3.78Å; L772-L782 HydrophobicContact CD2-CB 3.76Å; L772-L782 HydrophobicContact CD2-CD1 4.32Å
773	C	93	Very high	93.7	Very high	2 Å²	2	26 Å²	26	1%	0.014	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-90.2	159.5	-175.2	70.9	0	0	0	0	112.9	F769 R771 S779	F769-C773 HydrophobicContact CD1-CB 3.59Å; F769-C773 HydrophobicContact CD2-CB 3.72Å; F769-C773 HydrophobicContact CE1-CB 3.52Å; F769-C773 HydrophobicContact CE2-CB 3.66Å; F769-C773 HydrophobicContact CG-CB 3.69Å; F769-C773 HydrophobicContact CZ-CB 3.56Å; R771-C773 PolarHBondContact O-N 3.49Å; C773-S779 WeakPolarHBondContact O-CB 3.21Å; C773-S779 PolarHBondContact O-OG 3.03Å
774	F	88.2	Confident	94.1	Very high	110 Å²	110	20.3 Å²	20.3	48%	0.482	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	145.2	169.8	-172.7	-104.2	0	0	0	110.9	V690 F738	V690-F774 HydrophobicContact CG1-CD1 4.27Å; V690-F774 HydrophobicContact CG1-CE1 4.26Å; V690-F774 HydrophobicContact CG2-CE1 4.44Å; F738-F774 HydrophobicContact CD2-CD2 4.02Å; F738-F774 AromaticContact CE2-CD2 3.69Å; F738-F774 HydrophobicContact CE2-CD2 3.69Å; F738-F774 HydrophobicContact CE2-CE2 4.23Å
775	G	88.8	Confident	94.3	Very high	24 Å²	24	20.1 Å²	20.1	25%	0.247	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	-5.7	175.2	0	0	0	0	0	115.9	F691 N703	F691-G775 WeakPolarHBondContact O-CA 3.47Å; N703-G775 PolarHBondContact ND2-O 2.99Å; N703-G775 VanDerWaalsContact ND2-O 3.1Å
776	L	94.4	Very high	94.5	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.042	9%	0.094	C	C	.	.			trans	-82.6	139.4	163.7	-46.9	179.8	0	0	0	109.7	L607 L672 L702 N703 L706 V751 C778 S779	L607-L776 HydrophobicContact CD2-CD1 3.89Å; L672-L776 HydrophobicContact CD2-CD2 4.45Å; L702-L776 HydrophobicContact CD2-CD2 3.57Å; L702-L776 HydrophobicContact CG-CD2 4.45Å; N703-L776 VanDerWaalsContact OD1-CA 3.28Å; N703-L776 WeakPolarHBondContact OD1-CA 3.18Å; L706-L776 HydrophobicContact CD1-CB 4.34Å; L706-L776 HydrophobicContact CD1-CD1 4.38Å; L706-L776 HydrophobicContact CD1-CD2 4.35Å; V751-L776 HydrophobicContact CG1-CD1 3.94Å; V751-L776 HydrophobicContact CG1-CD2 4.35Å; L776-C778 PolarHBondContact O-N 2.87Å; L776-S779 WeakPolarHBondContact CB-OG 3.37Å; L776-S779 PolarHBondContact O-N 3.09Å
777	S	92.6	Very high	94.6	Very high	33 Å²	33	18.1 Å²	18.1	23%	0.231	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-31.1	179.1	55.2	0	0	0	0	112.8	N703	N703-S777 PolarHBondContact OD1-N 2.7Å; N703-S777 PolarHBondContact OD1-OG 3.23Å
778	C	93.9	Very high	94.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-11.7	-178.8	67.4	0	0	0	0	114.9	P608 E707 L776 F781 L782	P608-C778 HydrophobicContact CG-CB 3.64Å; E707-C778 WeakPolarHBondContact O-CB 3Å; L776-C778 PolarHBondContact O-N 2.87Å; C778-F781 WeakPolarHBondContact O-CB 3.22Å; C778-F781 PolarHBondContact O-N 2.73Å; C778-L782 HydrophobicContact CB-CD1 4.48Å; C778-L782 WeakPolarHBondContact O-CG 3.34Å; C778-L782 PolarHBondContact O-N 2.91Å
779	S	94.6	Very high	94.6	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.014	9%	0.091	C	C	.	.	H	α-helix	trans	-59.9	-43	-174.4	-66.2	0	0	0	0	113.8	L772 C773 L776 F781 L782 A783	L772-S779 WeakPolarHBondContact CD1-OG 3.37Å; C773-S779 WeakPolarHBondContact O-CB 3.21Å; C773-S779 PolarHBondContact O-OG 3.03Å; L776-S779 WeakPolarHBondContact CB-OG 3.37Å; L776-S779 PolarHBondContact O-N 3.09Å; S779-F781 PolarHBondContact O-N 3.21Å; S779-L782 PolarHBondContact O-N 3.1Å; S779-A783 WeakPolarHBondContact O-CB 3.5Å; S779-A783 PolarHBondContact O-N 2.66Å
780	P	93.1	Very high	94.6	Very high	45 Å²	45	16.7 Å²	16.7	29%	0.292	9%	0.091	S	C	.	.	H	α-helix	trans	-60.8	-44	176.3	-24	35.3	0	0	0	112.7	A783 I784	P780-A783 PolarHBondContact O-N 2.82Å; P780-I784 WeakPolarHBondContact O-CD1 3.41Å; P780-I784 VanDerWaalsContact O-CG1 3.25Å; P780-I784 WeakPolarHBondContact O-CG1 3.44Å; P780-I784 PolarHBondContact O-N 3.3Å; P780-I784 VanDerWaalsContact O-N 3.1Å
781	F	93.9	Very high	94.6	Very high	7 Å²	7	16.3 Å²	16.3	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-57.3	-55.7	176.8	152.8	-114.9	0	0	0	110.9	V588 M589 F592 I708 P710 L712 C778 S779 A783 I784 A785	V588-F781 HydrophobicContact CG1-CE1 3.87Å; V588-F781 HydrophobicContact CG1-CZ 4.1Å; M589-F781 HydrophobicContact SD-CD2 4.46Å; M589-F781 HydrophobicContact SD-CE2 3.43Å; M589-F781 WeakPolarHBondContact SD-CE2 3.33Å; M589-F781 HydrophobicContact SD-CZ 4.01Å; F592-F781 HydrophobicContact CB-CZ 3.94Å; F592-F781 HydrophobicContact CD2-CZ 4.47Å; F592-F781 HydrophobicContact CG-CZ 4.12Å; I708-F781 VanDerWaalsContact O-CB 3.25Å; I708-F781 WeakPolarHBondContact O-CB 3.28Å; P710-F781 HydrophobicContact CG-CD2 4.38Å; P710-F781 HydrophobicContact CG-CE2 4.35Å; L712-F781 HydrophobicContact CD1-CD2 3.76Å; L712-F781 HydrophobicContact CD1-CE2 3.88Å; L712-F781 HydrophobicContact CG-CD2 4.18Å; C778-F781 WeakPolarHBondContact O-CB 3.22Å; C778-F781 PolarHBondContact O-N 2.73Å; S779-F781 PolarHBondContact O-N 3.21Å; F781-A783 VanDerWaalsContact C-N 3.27Å; F781-A783 PolarHBondContact O-N 3.16Å; F781-I784 PolarHBondContact O-N 2.86Å; F781-A785 HydrophobicContact CD2-CB 4.33Å; F781-A785 HydrophobicContact CE2-CB 3.89Å; F781-A785 HydrophobicContact CZ-CB 4.46Å; F781-A785 VanDerWaalsContact O-CB 3.24Å; F781-A785 WeakPolarHBondContact O-CB 3.49Å; F781-A785 PolarHBondContact O-N 3.31Å
782	L	96.2	Very high	94.6	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-59.5	-40	-177	-69.9	171.8	0	0	0	111.6	F592 V605 L772 C778 S779 A785 V786	F592-L782 HydrophobicContact CD2-CD2 3.73Å; F592-L782 HydrophobicContact CE2-CD2 4.17Å; V605-L782 HydrophobicContact CB-CD2 4.38Å; V605-L782 HydrophobicContact CG2-CD1 4.13Å; L772-L782 HydrophobicContact CD1-CD1 3.78Å; L772-L782 HydrophobicContact CD2-CB 3.76Å; L772-L782 HydrophobicContact CD2-CD1 4.32Å; C778-L782 HydrophobicContact CB-CD1 4.48Å; C778-L782 WeakPolarHBondContact O-CG 3.34Å; C778-L782 PolarHBondContact O-N 2.91Å; S779-L782 PolarHBondContact O-N 3.1Å; L782-A785 PolarHBondContact O-N 3.37Å; L782-V786 VanDerWaalsContact O-CG2 3.26Å; L782-V786 WeakPolarHBondContact O-CG2 3.3Å; L782-V786 PolarHBondContact O-N 3.06Å
783	A	95.4	Very high	94.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-67.4	-45.9	-178.4	0	0	0	0	0	113.4	M737 F738 I741 S779 P780 F781 A785 V786 T787	M737-A783 HydrophobicContact CE-CB 3.97Å; M737-A783 HydrophobicContact CG-CB 4.46Å; M737-A783 HydrophobicContact SD-CB 4.01Å; F738-A783 HydrophobicContact CD1-CB 3.43Å; F738-A783 VanDerWaalsContact CD1-CB 3.43Å; F738-A783 HydrophobicContact CE1-CB 3.55Å; I741-A783 VanDerWaalsContact CD1-CA 3.45Å; I741-A783 HydrophobicContact CD1-CB 3.88Å; S779-A783 WeakPolarHBondContact O-CB 3.5Å; S779-A783 PolarHBondContact O-N 2.66Å; P780-A783 PolarHBondContact O-N 2.82Å; F781-A783 VanDerWaalsContact C-N 3.27Å; F781-A783 PolarHBondContact O-N 3.16Å; A783-A785 VanDerWaalsContact C-N 3.35Å; A783-V786 PolarHBondContact O-N 2.84Å; A783-T787 PolarHBondContact O-N 2.79Å; A783-T787 VanDerWaalsContact O-N 3.13Å; A783-T787 PolarHBondContact O-OG1 3.47Å
784	I	94.7	Very high	94.7	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.041	14%	0.135	C	C	.	.	H	α-helix	trans	-66.9	-40.5	176.7	-61.6	163.7	0	0	0	110.2	L712 Q713 P780 F781 V786 T787 Q788 V811	L712-I784 HydrophobicContact CB-CB 4.18Å; L712-I784 HydrophobicContact CB-CG2 3.58Å; Q713-I784 HydrophobicContact CG-CD1 3.66Å; P780-I784 WeakPolarHBondContact O-CD1 3.41Å; P780-I784 VanDerWaalsContact O-CG1 3.25Å; P780-I784 WeakPolarHBondContact O-CG1 3.44Å; P780-I784 PolarHBondContact O-N 3.3Å; P780-I784 VanDerWaalsContact O-N 3.1Å; F781-I784 PolarHBondContact O-N 2.86Å; I784-V786 VanDerWaalsContact C-N 3.32Å; I784-V786 PolarHBondContact O-N 2.94Å; I784-T787 PolarHBondContact O-N 3.32Å; I784-T787 PolarHBondContact O-OG1 3.31Å; I784-T787 VanDerWaalsContact O-OG1 3.08Å; I784-Q788 HydrophobicContact CG2-CG 4.14Å; I784-Q788 WeakPolarHBondContact O-CB 3.25Å; I784-Q788 VanDerWaalsContact O-CG 3.28Å; I784-Q788 WeakPolarHBondContact O-CG 3.27Å; I784-Q788 PolarHBondContact O-N 2.71Å; I784-V811 HydrophobicContact CD1-CG2 4.3Å
785	A	95.6	Very high	95	Very high	3 Å²	3	23.9 Å²	23.9	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-60.7	-41.9	178.6	0	0	0	0	0	111.6	F592 L712 F781 L782 A783 L789	F592-A785 HydrophobicContact CD1-CB 4.02Å; F592-A785 HydrophobicContact CD2-CB 4.49Å; F592-A785 HydrophobicContact CE1-CB 3.51Å; F592-A785 HydrophobicContact CE2-CB 4.02Å; F592-A785 HydrophobicContact CG-CB 4.49Å; F592-A785 HydrophobicContact CZ-CB 3.51Å; L712-A785 HydrophobicContact CD1-CB 3.6Å; F781-A785 HydrophobicContact CD2-CB 4.33Å; F781-A785 HydrophobicContact CE2-CB 3.89Å; F781-A785 HydrophobicContact CZ-CB 4.46Å; F781-A785 VanDerWaalsContact O-CB 3.24Å; F781-A785 WeakPolarHBondContact O-CB 3.49Å; F781-A785 PolarHBondContact O-N 3.31Å; L782-A785 PolarHBondContact O-N 3.37Å; A783-A785 VanDerWaalsContact C-N 3.35Å; A785-L789 WeakPolarHBondContact O-CB 3.42Å; A785-L789 PolarHBondContact O-N 2.7Å
786	V	97.3	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.7	-45.2	177.2	171.5	0	0	0	0	111.9	F592 V596 Y603 V605 I741 L782 A783 I784 L789 H790 F840	F592-V786 HydrophobicContact CE2-CG2 3.83Å; F592-V786 HydrophobicContact CZ-CG2 3.77Å; V596-V786 HydrophobicContact CG2-CG2 4.41Å; Y603-V786 HydrophobicContact CD1-CG1 4.21Å; Y603-V786 HydrophobicContact CD2-CG1 3.5Å; Y603-V786 HydrophobicContact CE2-CG1 4.19Å; Y603-V786 HydrophobicContact CG-CG1 3.49Å; Y603-V786 VanDerWaalsContact CG-CG1 3.49Å; V605-V786 HydrophobicContact CG1-CG2 3.58Å; I741-V786 HydrophobicContact CD1-CB 4Å; I741-V786 HydrophobicContact CD1-CG1 4.29Å; I741-V786 HydrophobicContact CD1-CG2 4.16Å; I741-V786 HydrophobicContact CG1-CG1 4.39Å; I741-V786 HydrophobicContact CG2-CG2 4.4Å; L782-V786 VanDerWaalsContact O-CG2 3.26Å; L782-V786 WeakPolarHBondContact O-CG2 3.3Å; L782-V786 PolarHBondContact O-N 3.06Å; A783-V786 PolarHBondContact O-N 2.84Å; I784-V786 VanDerWaalsContact C-N 3.32Å; I784-V786 PolarHBondContact O-N 2.94Å; V786-L789 PolarHBondContact O-N 3.39Å; V786-H790 WeakPolarHBondContact O-CB 3.18Å; V786-H790 PolarHBondContact O-N 3.03Å; V786-F840 HydrophobicContact CB-CZ 4.45Å; V786-F840 HydrophobicContact CG1-CE2 3.86Å; V786-F840 HydrophobicContact CG1-CZ 3.58Å
787	T	96.1	Very high	95.4	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-66.5	-39.8	179.5	55	0	0	0	0	111.9	I734 M737 A783 I784 H790 A791 F840	I734-T787 HydrophobicContact CD1-CG2 4.16Å; M737-T787 HydrophobicContact CE-CG2 3.53Å; A783-T787 PolarHBondContact O-N 2.79Å; A783-T787 VanDerWaalsContact O-N 3.13Å; A783-T787 PolarHBondContact O-OG1 3.47Å; I784-T787 PolarHBondContact O-N 3.32Å; I784-T787 PolarHBondContact O-OG1 3.31Å; I784-T787 VanDerWaalsContact O-OG1 3.08Å; T787-H790 PolarHBondContact O-N 3.12Å; T787-A791 WeakPolarHBondContact O-CB 3.38Å; T787-A791 PolarHBondContact O-N 3.3Å; T787-F840 HydrophobicContact CG2-CD1 4.22Å; T787-F840 HydrophobicContact CG2-CD2 4.17Å; T787-F840 HydrophobicContact CG2-CE1 4.01Å; T787-F840 HydrophobicContact CG2-CE2 3.97Å; T787-F840 HydrophobicContact CG2-CG 4.29Å; T787-F840 HydrophobicContact CG2-CZ 3.88Å
788	Q	95.7	Very high	95.5	Very high	25 Å²	25	35.4 Å²	35.4	12%	0.117	17%	0.169	C	C	.	.	H	α-helix	trans	-64.3	-44.9	173.5	-70.5	-176.6	3.9	0	0	112	L712 I784 H790 A791 Q792 L806	L712-Q788 PolarHBondContact O-NE2 3.36Å; L712-Q788 VanDerWaalsContact O-NE2 3.08Å; I784-Q788 HydrophobicContact CG2-CG 4.14Å; I784-Q788 WeakPolarHBondContact O-CB 3.25Å; I784-Q788 VanDerWaalsContact O-CG 3.28Å; I784-Q788 WeakPolarHBondContact O-CG 3.27Å; I784-Q788 PolarHBondContact O-N 2.71Å; Q788-H790 VanDerWaalsContact C-N 3.31Å; Q788-H790 PolarHBondContact O-N 3.24Å; Q788-A791 PolarHBondContact O-N 2.71Å; Q788-Q792 WeakPolarHBondContact O-CB 3.38Å; Q788-Q792 VanDerWaalsContact O-CG 3.24Å; Q788-Q792 WeakPolarHBondContact O-CG 3.28Å; Q788-Q792 PolarHBondContact O-N 3.07Å; Q788-L806 HydrophobicContact CB-CD2 4.01Å; Q788-L806 HydrophobicContact CG-CD2 4.09Å
789	L	96	Very high	95.6	Very high	19 Å²	19	42.8 Å²	42.8	10%	0.099	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-43.4	176.4	178.3	64.9	0	0	0	111.2	F592 V596 Y603 A785 V786 Q792 R793	F592-L789 HydrophobicContact CE1-CD2 4.33Å; F592-L789 HydrophobicContact CZ-CD2 4.41Å; V596-L789 HydrophobicContact CG1-CD2 3.57Å; V596-L789 HydrophobicContact CG2-CD2 4.26Å; Y603-L789 HydrophobicContact CE1-CD2 4.17Å; A785-L789 WeakPolarHBondContact O-CB 3.42Å; A785-L789 PolarHBondContact O-N 2.7Å; V786-L789 PolarHBondContact O-N 3.39Å; L789-Q792 PolarHBondContact O-N 3.17Å; L789-R793 HydrophobicContact CD1-CG 4.23Å; L789-R793 WeakPolarHBondContact O-CB 3.23Å; L789-R793 WeakPolarHBondContact O-CG 3.41Å; L789-R793 PolarHBondContact O-N 3.09Å
790	H	97.3	Very high	95.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-43.2	178.9	-173.5	69.2	0	0	0	112.2	Y603 V786 T787 Q788 N794 L834 G838	Y603-H790 HydrophobicContact CE2-CB 3.64Å; Y603-H790 AromaticContact CE2-CG 3.71Å; Y603-H790 AromaticContact CE2-ND1 3.37Å; Y603-H790 WeakPolarHBondContact CE2-ND1 3.28Å; Y603-H790 AromaticContact CZ-ND1 3.65Å; Y603-H790 WeakPolarHBondContact OH-CA 3.33Å; Y603-H790 WeakPolarHBondContact OH-CB 3.46Å; Y603-H790 PolarHBondContact OH-ND1 3.4Å; V786-H790 WeakPolarHBondContact O-CB 3.18Å; V786-H790 PolarHBondContact O-N 3.03Å; T787-H790 PolarHBondContact O-N 3.12Å; Q788-H790 VanDerWaalsContact C-N 3.31Å; Q788-H790 PolarHBondContact O-N 3.24Å; H790-N794 PolarHBondContact CE1-ND2 3.38Å; H790-N794 VanDerWaalsContact CE1-ND2 3.34Å; H790-N794 PolarHBondContact ND1-ND2 2.88Å; H790-N794 WeakPolarHBondContact O-CB 3.45Å; H790-N794 PolarHBondContact O-N 3.01Å; H790-N794 PolarHBondContact O-ND2 3.41Å; H790-L834 PolarHBondContact NE2-O 3.13Å; H790-G838 VanDerWaalsContact CE1-CA 3.44Å; H790-G838 WeakPolarHBondContact CE1-CA 3.32Å; H790-G838 PolarHBondContact CE1-N 3.46Å; H790-G838 PolarHBondContact NE2-N 3.33Å
791	A	96.9	Very high	95.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-44.1	174.1	0	0	0	0	0	112	T787 Q788 N794 S795 A802 V805 L806 L834	T787-A791 WeakPolarHBondContact O-CB 3.38Å; T787-A791 PolarHBondContact O-N 3.3Å; Q788-A791 PolarHBondContact O-N 2.71Å; A791-N794 CarbonylContact O-C 3.37Å; A791-N794 PolarHBondContact O-N 2.87Å; A791-S795 WeakPolarHBondContact O-CA 3.36Å; A791-S795 WeakPolarHBondContact O-CB 3.42Å; A791-S795 PolarHBondContact O-N 2.83Å; A791-A802 HydrophobicContact CB-CB 4.15Å; A791-A802 VanDerWaalsContact O-CB 3.3Å; A791-A802 WeakPolarHBondContact O-CB 3.28Å; A791-V805 HydrophobicContact CB-CB 3.95Å; A791-V805 HydrophobicContact CB-CG1 3.78Å; A791-L806 HydrophobicContact CB-CD1 4.43Å; A791-L806 HydrophobicContact CB-CD2 4.14Å; A791-L806 HydrophobicContact CB-CG 3.92Å; A791-L834 HydrophobicContact CB-CD2 4.4Å
792	Q	96.2	Very high	95.8	Very high	95 Å²	95	42.3 Å²	42.3	44%	0.444	20%	0.196	S	C	.	.	H	α-helix	trans	-60.7	-49.5	177.8	-74.4	166.4	-0.2	0	0	112	Q788 L789 N794 S795 L806	Q788-Q792 WeakPolarHBondContact O-CB 3.38Å; Q788-Q792 VanDerWaalsContact O-CG 3.24Å; Q788-Q792 WeakPolarHBondContact O-CG 3.28Å; Q788-Q792 PolarHBondContact O-N 3.07Å; L789-Q792 PolarHBondContact O-N 3.17Å; Q792-N794 PolarHBondContact O-N 3Å; Q792-S795 WeakPolarHBondContact O-CB 3.31Å; Q792-S795 PolarHBondContact O-N 3.17Å; Q792-S795 PolarHBondContact O-OG 3.45Å; Q792-L806 HydrophobicContact CG-CD1 4.2Å; Q792-L806 HydrophobicContact CG-CD2 4.07Å
793	R	96	Very high	95.8	Very high	137 Å²	137	43.8 Å²	43.8	52%	0.517	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-24.4	-179.5	-76.9	-178.2	172.9	179.6	0.3	113.8	L789	L789-R793 HydrophobicContact CD1-CG 4.23Å; L789-R793 WeakPolarHBondContact O-CB 3.23Å; L789-R793 WeakPolarHBondContact O-CG 3.41Å; L789-R793 PolarHBondContact O-N 3.09Å
794	N	96.2	Very high	95.9	Very high	41 Å²	41	44.4 Å²	44.4	22%	0.219	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	10.5	-176.3	-68.9	-83.5	0	0	0	112.8	H790 A791 Q792 E796 K797 Y798 L834	H790-N794 PolarHBondContact CE1-ND2 3.38Å; H790-N794 VanDerWaalsContact CE1-ND2 3.34Å; H790-N794 PolarHBondContact ND1-ND2 2.88Å; H790-N794 WeakPolarHBondContact O-CB 3.45Å; H790-N794 PolarHBondContact O-N 3.01Å; H790-N794 PolarHBondContact O-ND2 3.41Å; A791-N794 CarbonylContact O-C 3.37Å; A791-N794 PolarHBondContact O-N 2.87Å; Q792-N794 PolarHBondContact O-N 3Å; N794-E796 VanDerWaalsContact C-N 3.27Å; N794-E796 PolarHBondContact O-N 3.35Å; N794-K797 PolarHBondContact O-N 3.47Å; N794-Y798 HydrophobicContact CB-CD2 4.05Å; N794-Y798 PolarHBondContact O-N 3.39Å; N794-L834 HydrophobicContact CB-CD1 3.41Å; N794-L834 VanDerWaalsContact CB-CD1 3.41Å
795	S	94.9	Very high	95.9	Very high	49 Å²	49	44.2 Å²	44.2	34%	0.343	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.1	-174	59	0	0	0	0	114	A791 Q792 K799	A791-S795 WeakPolarHBondContact O-CA 3.36Å; A791-S795 WeakPolarHBondContact O-CB 3.42Å; A791-S795 PolarHBondContact O-N 2.83Å; Q792-S795 WeakPolarHBondContact O-CB 3.31Å; Q792-S795 PolarHBondContact O-N 3.17Å; Q792-S795 PolarHBondContact O-OG 3.45Å; S795-K799 WeakPolarHBondContact O-CA 3.33Å; S795-K799 WeakPolarHBondContact O-CG 3.26Å; S795-K799 PolarHBondContact O-N 3.46Å
796	E	95.2	Very high	95.9	Very high	174 Å²	174	45.8 Å²	45.8	81%	0.813	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-39.8	176.1	-66.4	-175.6	172.7	0	0	112.4	N794	N794-E796 VanDerWaalsContact C-N 3.27Å; N794-E796 PolarHBondContact O-N 3.35Å
797	K	95.2	Very high	95.8	Very high	124 Å²	124	51 Å²	51	54%	0.539	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-40	-178.1	-174.1	175.7	178	-161.5	0	112.3	N794 R837	N794-K797 PolarHBondContact O-N 3.47Å; K797-R837 VanDerWaalsContact NZ-NH2 3.19Å
798	Y	95.9	Very high	95.7	Very high	8 Å²	8	51 Å²	51	3%	0.031	24%	0.239	C	C	.	.	S	Bend	trans	-117.3	66.2	-179.6	-56.2	-86.1	0	0	0	109.4	N794 A802 E830 E833 L834 R837	N794-Y798 HydrophobicContact CB-CD2 4.05Å; N794-Y798 PolarHBondContact O-N 3.39Å; Y798-A802 WeakPolarHBondContact O-CB 3.24Å; Y798-A802 PolarHBondContact O-N 3Å; Y798-E830 WeakPolarHBondContact CA-OE1 3.35Å; Y798-E830 HydrophobicContact CD1-CG 3.6Å; Y798-E830 HydrophobicContact CG-CG 4.23Å; Y798-E833 HydrophobicContact CE1-CB 4.06Å; Y798-E833 HydrophobicContact CE1-CG 4.06Å; Y798-E833 VanDerWaalsContact OH-CD 3.27Å; Y798-E833 PolarHBondContact OH-OE1 3.45Å; Y798-L834 HydrophobicContact CD1-CB 4.22Å; Y798-L834 HydrophobicContact CD2-CB 4.32Å; Y798-L834 HydrophobicContact CD2-CD1 3.92Å; Y798-L834 HydrophobicContact CG-CB 3.96Å; Y798-L834 HydrophobicContact CG-CD1 4.24Å; Y798-R837 WeakPolarHBondContact OH-CD 3.27Å; Y798-R837 PolarHBondContact OH-NE 3.31Å; Y798-R837 PolarHBondContact OH-NH2 3.41Å
799	K	95.3	Very high	95.6	Very high	155 Å²	155	50.4 Å²	50.4	67%	0.674	24%	0.236	S	C	*	.	H	α-helix	trans	-57.2	-51.3	-176.9	-68.5	-178.6	-179.8	-179.4	0	113.6	S795 S803 E830	S795-K799 WeakPolarHBondContact O-CA 3.33Å; S795-K799 WeakPolarHBondContact O-CG 3.26Å; S795-K799 PolarHBondContact O-N 3.46Å; K799-S803 WeakPolarHBondContact O-CB 3.39Å; K799-S803 PolarHBondContact O-N 3.22Å; K799-E830 PolarHBondContact N-OE1 2.85Å
800	Q	94.3	Very high	95.4	Very high	43 Å²	43	53 Å²	53	20%	0.201	25%	0.245	C	C	.	.	H	α-helix	trans	-71.2	-48.4	-179.9	-169.7	168.9	13.5	0	0	109.5	A802 S803 E804 A827 E830	Q800-A802 PolarHBondContact O-N 3.04Å; Q800-S803 WeakPolarHBondContact O-CB 3.24Å; Q800-S803 PolarHBondContact O-N 3.48Å; Q800-S803 VanDerWaalsContact O-N 3.09Å; Q800-E804 WeakPolarHBondContact O-CG 3.47Å; Q800-E804 PolarHBondContact O-N 2.87Å; Q800-A827 HydrophobicContact CG-CB 4.11Å; Q800-E830 WeakPolarHBondContact CA-OE1 3.48Å; Q800-E830 WeakPolarHBondContact CB-OE2 3.49Å; Q800-E830 PolarHBondContact N-OE1 3.25Å
801	G	95.2	Very high	95.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-42.3	-178.1	0	0	0	0	0	113.2	E804 V805 E830 T831	G801-E804 PolarHBondContact O-N 2.82Å; G801-V805 WeakPolarHBondContact O-CG2 3.18Å; G801-V805 PolarHBondContact O-N 3.16Å; G801-E830 PolarHBondContact N-OE1 3.17Å; G801-T831 VanDerWaalsContact CA-OG1 3.32Å; G801-T831 WeakPolarHBondContact CA-OG1 3.4Å
802	A	97.1	Very high	94.8	Very high	2 Å²	2	57.1 Å²	57.1	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-39.4	175.3	0	0	0	0	0	111.9	A791 Y798 Q800 E804 V805 L806 L834	A791-A802 HydrophobicContact CB-CB 4.15Å; A791-A802 VanDerWaalsContact O-CB 3.3Å; A791-A802 WeakPolarHBondContact O-CB 3.28Å; Y798-A802 WeakPolarHBondContact O-CB 3.24Å; Y798-A802 PolarHBondContact O-N 3Å; Q800-A802 PolarHBondContact O-N 3.04Å; A802-E804 VanDerWaalsContact C-N 3.34Å; A802-V805 PolarHBondContact O-N 3.25Å; A802-L806 VanDerWaalsContact O-CB 3.31Å; A802-L806 WeakPolarHBondContact O-CB 3.21Å; A802-L806 WeakPolarHBondContact O-CG 3.37Å; A802-L806 PolarHBondContact O-N 3.36Å; A802-L834 HydrophobicContact CB-CD2 4.06Å
803	S	96.2	Very high	94.6	Very high	33 Å²	33	54.3 Å²	54.3	23%	0.231	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-42.9	174.5	172.9	0	0	0	0	111.5	K799 Q800 L806 K807	K799-S803 WeakPolarHBondContact O-CB 3.39Å; K799-S803 PolarHBondContact O-N 3.22Å; Q800-S803 WeakPolarHBondContact O-CB 3.24Å; Q800-S803 PolarHBondContact O-N 3.48Å; Q800-S803 VanDerWaalsContact O-N 3.09Å; S803-L806 PolarHBondContact O-N 3.38Å; S803-K807 WeakPolarHBondContact O-CB 3.47Å; S803-K807 WeakPolarHBondContact O-CG 3.44Å; S803-K807 PolarHBondContact O-N 3Å; S803-K807 PolarHBondContact OG-NZ 3.5Å
804	E	95.8	Very high	94.5	Very high	13 Å²	13	47.8 Å²	47.8	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-46.8	177.1	-63.2	-49.8	135.9	0	0	111.4	Q800 G801 A802 L806 K807 N808 L814 M816	Q800-E804 WeakPolarHBondContact O-CG 3.47Å; Q800-E804 PolarHBondContact O-N 2.87Å; G801-E804 PolarHBondContact O-N 2.82Å; A802-E804 VanDerWaalsContact C-N 3.34Å; E804-L806 PolarHBondContact O-N 2.94Å; E804-K807 PolarHBondContact O-N 3.49Å; E804-N808 WeakPolarHBondContact O-CA 3.49Å; E804-N808 VanDerWaalsContact O-CB 3.26Å; E804-N808 WeakPolarHBondContact O-CB 3.3Å; E804-N808 PolarHBondContact O-N 3.2Å; E804-N808 PolarHBondContact OE2-ND2 3.46Å; E804-L814 HydrophobicContact CB-CD1 4.42Å; E804-M816 HydrophobicContact CB-SD 4.18Å; E804-M816 HydrophobicContact CG-SD 3.74Å; E804-M816 VanDerWaalsContact OE2-CB 3.23Å; E804-M816 WeakPolarHBondContact OE2-CB 3.46Å
805	V	96	Very high	94.5	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.024	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-45.2	175.8	174.1	0	0	0	0	111.5	A791 G801 A802 K807 M809 T831 L834 L835	A791-V805 HydrophobicContact CB-CB 3.95Å; A791-V805 HydrophobicContact CB-CG1 3.78Å; G801-V805 WeakPolarHBondContact O-CG2 3.18Å; G801-V805 PolarHBondContact O-N 3.16Å; A802-V805 PolarHBondContact O-N 3.25Å; V805-K807 PolarHBondContact O-N 3.26Å; V805-M809 HydrophobicContact CB-CE 4.44Å; V805-M809 HydrophobicContact CG1-CE 4.01Å; V805-M809 HydrophobicContact CG1-SD 4.03Å; V805-M809 HydrophobicContact CG2-CE 4.03Å; V805-M809 WeakPolarHBondContact O-CB 3.36Å; V805-T831 HydrophobicContact CG2-CG2 3.76Å; V805-L834 HydrophobicContact CG2-CD2 4.21Å; V805-L835 HydrophobicContact CG1-CD2 4.41Å; V805-L835 HydrophobicContact CG2-CD1 3.98Å; V805-L835 HydrophobicContact CG2-CD2 3.95Å; V805-L835 HydrophobicContact CG2-CG 4Å
806	L	95.4	Very high	94.5	Very high	35 Å²	35	43.6 Å²	43.6	18%	0.183	21%	0.205	C	C	.	.	H	α-helix	trans	-71.2	-28.4	-175.5	-71	170.5	0	0	0	113.5	R714 Q788 A791 Q792 A802 S803 E804	R714-L806 PolarHBondContact NE-O 2.99Å; R714-L806 PolarHBondContact NH2-O 3.44Å; Q788-L806 HydrophobicContact CB-CD2 4.01Å; Q788-L806 HydrophobicContact CG-CD2 4.09Å; A791-L806 HydrophobicContact CB-CD1 4.43Å; A791-L806 HydrophobicContact CB-CD2 4.14Å; A791-L806 HydrophobicContact CB-CG 3.92Å; Q792-L806 HydrophobicContact CG-CD1 4.2Å; Q792-L806 HydrophobicContact CG-CD2 4.07Å; A802-L806 VanDerWaalsContact O-CB 3.31Å; A802-L806 WeakPolarHBondContact O-CB 3.21Å; A802-L806 WeakPolarHBondContact O-CG 3.37Å; A802-L806 PolarHBondContact O-N 3.36Å; S803-L806 PolarHBondContact O-N 3.38Å; E804-L806 PolarHBondContact O-N 2.94Å
807	K	94.1	Very high	94.5	Very high	109 Å²	109	35.4 Å²	35.4	47%	0.474	17%	0.167	S	C	.	.	H	α-helix	trans	-104	-33.7	-175.4	-66.9	173.7	-177	158.5	0	113.6	R722 S803 E804 V805	R722-K807 PolarHBondContact NH2-O 2.94Å; S803-K807 WeakPolarHBondContact O-CB 3.47Å; S803-K807 WeakPolarHBondContact O-CG 3.44Å; S803-K807 PolarHBondContact O-N 3Å; S803-K807 PolarHBondContact OG-NZ 3.5Å; E804-K807 PolarHBondContact O-N 3.49Å; V805-K807 PolarHBondContact O-N 3.26Å
808	N	95.2	Very high	94.4	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-122.4	4.4	-161.1	-68.8	-23.3	0	0	0	113.8	R722 E804 L814 V815 M816	R722-N808 WeakPolarHBondContact CD-OD1 3.46Å; R722-N808 PolarHBondContact NE-OD1 3.3Å; E804-N808 WeakPolarHBondContact O-CA 3.49Å; E804-N808 VanDerWaalsContact O-CB 3.26Å; E804-N808 WeakPolarHBondContact O-CB 3.3Å; E804-N808 PolarHBondContact O-N 3.2Å; E804-N808 PolarHBondContact OE2-ND2 3.46Å; N808-L814 HydrophobicContact CB-CD1 4.42Å; N808-V815 WeakPolarHBondContact CB-O 3.45Å; N808-V815 PolarHBondContact O-N 3.44Å; N808-V815 VanDerWaalsContact O-N 3.07Å; N808-M816 HydrophobicContact CB-CB 4.45Å
809	M	93.7	Very high	94.4	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.059	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.9	170.7	-169.3	172.3	-78.3	0	0	111.1	I734 V805 V811 D813 L814 L835	I734-M809 HydrophobicContact CD1-CE 3.72Å; I734-M809 HydrophobicContact CD1-SD 3.81Å; I734-M809 HydrophobicContact CG1-CE 4.33Å; V805-M809 HydrophobicContact CB-CE 4.44Å; V805-M809 HydrophobicContact CG1-CE 4.01Å; V805-M809 HydrophobicContact CG1-SD 4.03Å; V805-M809 HydrophobicContact CG2-CE 4.03Å; V805-M809 WeakPolarHBondContact O-CB 3.36Å; M809-V811 WeakPolarHBondContact CG-O 3.22Å; M809-D813 CarbonylContact C-O 3.59Å; M809-D813 WeakPolarHBondContact CA-O 3.37Å; M809-L814 HydrophobicContact CB-CD1 4.41Å; M809-L814 HydrophobicContact CE-CB 4.33Å; M809-L814 HydrophobicContact CE-CD1 4.48Å; M809-L835 HydrophobicContact CE-CD1 3.66Å; M809-L835 HydrophobicContact CE-CD2 4.23Å
810	Y	92.3	Very high	94.2	Very high	75 Å²	75	26.7 Å²	26.7	29%	0.294	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	96.9	171.7	-170.1	-97.3	0	0	0	109.1	Q713 L716 I719 D812 D813 L870	Q713-Y810 HydrophobicContact CB-CE2 4.16Å; L716-Y810 HydrophobicContact CB-CE2 4.22Å; L716-Y810 HydrophobicContact CD1-CD1 4.38Å; L716-Y810 HydrophobicContact CD1-CD2 4.05Å; L716-Y810 HydrophobicContact CD1-CE1 4.38Å; L716-Y810 HydrophobicContact CD1-CE2 4.05Å; L716-Y810 HydrophobicContact CD1-CG 4.21Å; I719-Y810 HydrophobicContact CD1-CD2 4.03Å; I719-Y810 HydrophobicContact CD1-CG 4.33Å; Y810-D812 PolarHBondContact O-N 2.9Å; Y810-D812 VanDerWaalsContact O-N 3.08Å; Y810-D813 PolarHBondContact N-O 3.3Å; Y810-D813 PolarHBondContact O-N 2.79Å; Y810-D813 VanDerWaalsContact O-N 3.16Å; Y810-L870 HydrophobicContact CD1-CD2 4.01Å; Y810-L870 HydrophobicContact CG-CD2 4.07Å
811	V	89.6	Confident	94.1	Very high	28 Å²	28	28.1 Å²	28.1	17%	0.17	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-108.9	-172.1	-166.2	0	0	0	0	110.6	Q713 M737 F738 I784 M809	Q713-V811 HydrophobicContact CG-CG2 4.29Å; M737-V811 VanDerWaalsContact CE-O 3.24Å; M737-V811 WeakPolarHBondContact CE-O 3.45Å; M737-V811 VanDerWaalsContact SD-C 3.56Å; M737-V811 HydrophobicContact SD-CG1 3.94Å; M737-V811 VanDerWaalsContact SD-O 3.4Å; F738-V811 HydrophobicContact CE1-CG1 4.42Å; F738-V811 HydrophobicContact CZ-CG1 4.27Å; I784-V811 HydrophobicContact CD1-CG2 4.3Å; M809-V811 WeakPolarHBondContact CG-O 3.22Å
812	D	90.5	Very high	93.9	Very high	58 Å²	58	33.5 Å²	33.5	31%	0.31	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-23.3	-178.7	49	-27.3	0	0	0	113.5	D733 I734 M737 Y810	D733-D812 WeakPolarHBondContact CA-O 3.3Å; I734-D812 HydrophobicContact CB-CB 4.47Å; I734-D812 PolarHBondContact N-O 3.22Å; M737-D812 HydrophobicContact CB-CB 4.05Å; M737-D812 HydrophobicContact SD-CB 4.25Å; Y810-D812 PolarHBondContact O-N 2.9Å; Y810-D812 VanDerWaalsContact O-N 3.08Å
813	D	92.3	Very high	93.7	Very high	36 Å²	36	35.2 Å²	35.2	19%	0.193	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.9	-178.2	-69.6	-34.8	0	0	0	111.5	H731 M809 Y810 V815 L870	H731-D813 IonicContact NE2-OD1 3.31Å; H731-D813 PolarHBondContact NE2-OD1 3.45Å; M809-D813 CarbonylContact C-O 3.59Å; M809-D813 WeakPolarHBondContact CA-O 3.37Å; Y810-D813 PolarHBondContact N-O 3.3Å; Y810-D813 PolarHBondContact O-N 2.79Å; Y810-D813 VanDerWaalsContact O-N 3.16Å; D813-V815 HydrophobicContact CB-CG2 4.47Å; D813-L870 HydrophobicContact CB-CD2 3.74Å
814	L	94.8	Very high	93.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.7	168.1	174.8	71.4	0	0	0	109.4	H731 G732 E804 N808 M809 T831 L842 W845	H731-L814 CarbonylContact C-O 3.59Å; H731-L814 WeakPolarHBondContact CA-O 2.96Å; H731-L814 PolarHBondContact CD2-O 3.26Å; G732-L814 PolarHBondContact N-O 3.11Å; G732-L814 PolarHBondContact O-N 3.46Å; E804-L814 HydrophobicContact CB-CD1 4.42Å; N808-L814 HydrophobicContact CB-CD1 4.42Å; M809-L814 HydrophobicContact CB-CD1 4.41Å; M809-L814 HydrophobicContact CE-CB 4.33Å; M809-L814 HydrophobicContact CE-CD1 4.48Å; L814-T831 HydrophobicContact CD2-CG2 3.49Å; L814-T831 VanDerWaalsContact CD2-CG2 3.49Å; L814-L842 HydrophobicContact CD2-CD1 3.87Å; L814-W845 HydrophobicContact CD2-CH2 4.26Å
815	V	94.5	Very high	93.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	107	-176.1	-178.1	0	0	0	0	110.5	I719 F723 I730 N808 D813 T869 L870	I719-V815 HydrophobicContact CG2-CB 4.33Å; F723-V815 HydrophobicContact CB-CG1 3.76Å; F723-V815 HydrophobicContact CD1-CG1 3.69Å; F723-V815 HydrophobicContact CD2-CB 4.45Å; F723-V815 HydrophobicContact CD2-CG1 3.17Å; F723-V815 HydrophobicContact CE1-CG1 4.01Å; F723-V815 HydrophobicContact CE2-CG1 3.52Å; F723-V815 HydrophobicContact CG-CG1 3.25Å; F723-V815 HydrophobicContact CZ-CG1 3.92Å; I730-V815 WeakPolarHBondContact O-CA 3.34Å; N808-V815 WeakPolarHBondContact CB-O 3.45Å; N808-V815 PolarHBondContact O-N 3.44Å; N808-V815 VanDerWaalsContact O-N 3.07Å; D813-V815 HydrophobicContact CB-CG2 4.47Å; V815-T869 HydrophobicContact CB-CG2 4.4Å; V815-T869 HydrophobicContact CG1-CG2 3.71Å; V815-T869 HydrophobicContact CG2-CG2 3.71Å; V815-L870 HydrophobicContact CB-CD1 4.14Å; V815-L870 HydrophobicContact CG1-CD1 4.48Å; V815-L870 HydrophobicContact CG2-CD1 4.02Å; V815-L870 HydrophobicContact CG2-CD2 4.26Å; V815-L870 HydrophobicContact CG2-CG 3.91Å
816	M	94.9	Very high	93.1	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	163	-172.9	61.9	176.4	173.6	0	0	112.5	F723 I730 E804 N808 A827 W845	F723-M816 VanDerWaalsContact CD2-O 3.26Å; F723-M816 WeakPolarHBondContact CD2-O 3.43Å; F723-M816 WeakPolarHBondContact CE2-O 3.43Å; I730-M816 HydrophobicContact CB-CE 3.91Å; I730-M816 HydrophobicContact CB-CG 3.99Å; I730-M816 HydrophobicContact CD1-CE 3.73Å; I730-M816 HydrophobicContact CG1-CE 4.42Å; I730-M816 HydrophobicContact CG2-CE 3.79Å; I730-M816 PolarHBondContact N-O 3.4Å; I730-M816 PolarHBondContact O-N 3.35Å; E804-M816 HydrophobicContact CB-SD 4.18Å; E804-M816 HydrophobicContact CG-SD 3.74Å; E804-M816 VanDerWaalsContact OE2-CB 3.23Å; E804-M816 WeakPolarHBondContact OE2-CB 3.46Å; N808-M816 HydrophobicContact CB-CB 4.45Å; M816-A827 HydrophobicContact CE-CB 4.19Å; M816-A827 HydrophobicContact SD-CB 4.02Å; M816-W845 HydrophobicContact CE-CZ3 4.11Å
817	S	95.6	Very high	92.9	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.2	173.5	72.3	0	0	0	0	111.8	R722 F723 F726 Y728	R722-S817 PolarHBondContact O-OG 2.92Å; F723-S817 WeakPolarHBondContact O-CB 3.29Å; F723-S817 PolarHBondContact O-OG 3.28Å; F726-S817 WeakPolarHBondContact CD2-O 3.45Å; F726-S817 PolarHBondContact N-OG 2.97Å; Y728-S817 CarbonylContact O-C 3.58Å; Y728-S817 VanDerWaalsContact O-CA 3.24Å; Y728-S817 WeakPolarHBondContact O-CA 3.31Å
818	C	94.7	Very high	92.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.7	-179.2	-59.4	0	0	0	0	111.1	F726 Y728 E823 A824	F726-C818 VanDerWaalsContact CB-O 3.25Å; F726-C818 WeakPolarHBondContact CB-O 3.32Å; Y728-C818 PolarHBondContact N-O 2.93Å; Y728-C818 PolarHBondContact O-N 3.44Å; C818-E823 HydrophobicContact CB-CB 4.14Å; C818-E823 HydrophobicContact CB-CG 4.01Å; C818-A824 HydrophobicContact CB-CB 3.92Å
819	S	93.9	Very high	92.7	Very high	70 Å²	70	39 Å²	39	49%	0.49	21%	0.208	S	C	.	.	S	Bend	trans	-81.1	-31.1	-178	65.3	0	0	0	0	112.9	E823	S819-E823 PolarHBondContact N-OE2 3.01Å; S819-E823 PolarHBondContact OG-OE2 3.49Å
820	S	93.1	Very high	92.8	Very high	33 Å²	33	40.5 Å²	40.5	23%	0.231	22%	0.215	C	C	.	.	S	Bend	trans	-129	161.7	-178.2	100.3	0	0	0	0	112.2	E822 E823 A824	S820-E822 VanDerWaalsContact C-N 3.31Å; S820-E822 WeakPolarHBondContact CB-OE2 3.5Å; S820-E822 PolarHBondContact OG-N 2.97Å; S820-E822 PolarHBondContact OG-OE2 3.12Å; S820-E823 PolarHBondContact O-N 2.84Å; S820-E823 PolarHBondContact OG-N 3.01Å; S820-E823 VanDerWaalsContact OG-N 3.13Å; S820-A824 WeakPolarHBondContact O-CB 3.42Å; S820-A824 PolarHBondContact O-N 3.48Å; S820-A824 VanDerWaalsContact O-N 3.07Å
821	K	91.5	Very high	92.9	Very high	74 Å²	74	36.9 Å²	36.9	32%	0.322	20%	0.201	S	C	.	.	H	α-helix	trans	-68.5	-34	178.6	-59.6	-169	177.8	177.3	0	111.9	Y728 A824 A825 M849 E851	Y728-K821 HydrophobicContact CE1-CG 4.17Å; Y728-K821 HydrophobicContact CE2-CG 4.07Å; K821-A824 WeakPolarHBondContact O-CB 3.4Å; K821-A824 PolarHBondContact O-N 3.32Å; K821-A825 WeakPolarHBondContact O-CB 3.45Å; K821-A825 PolarHBondContact O-N 3.46Å; K821-M849 HydrophobicContact CB-CE 3.74Å; K821-M849 HydrophobicContact CB-SD 4.03Å; K821-M849 HydrophobicContact CD-CE 4.29Å; K821-M849 HydrophobicContact CD-CG 4.49Å; K821-M849 HydrophobicContact CD-SD 3.85Å; K821-M849 HydrophobicContact CG-CE 3.63Å; K821-M849 HydrophobicContact CG-SD 3.86Å; K821-E851 VanDerWaalsContact NZ-CD 3.34Å; K821-E851 IonicContact NZ-OE1 3.01Å; K821-E851 PolarHBondContact NZ-OE1 3.4Å; K821-E851 IonicContact NZ-OE2 3.28Å; K821-E851 PolarHBondContact NZ-OE2 2.91Å
822	E	91.1	Very high	93.1	Very high	112 Å²	112	37 Å²	37	52%	0.523	21%	0.205	S	C	.	.	H	α-helix	trans	-69.8	-40.2	179	-53.4	69	-145.5	0	0	110.7	S820 A825 R826	S820-E822 VanDerWaalsContact C-N 3.31Å; S820-E822 WeakPolarHBondContact CB-OE2 3.5Å; S820-E822 PolarHBondContact OG-N 2.97Å; S820-E822 PolarHBondContact OG-OE2 3.12Å; E822-A825 PolarHBondContact O-N 3.33Å; E822-R826 WeakPolarHBondContact O-CG 3.25Å; E822-R826 PolarHBondContact O-N 3.39Å; E822-R826 PolarHBondContact O-NH1 3.21Å
823	E	93	Very high	93.3	Very high	39 Å²	39	38 Å²	38	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-63.4	-44.4	172.8	-173.5	-173.8	-169.4	0	0	111	C818 S819 S820 A825 R826 A827	C818-E823 HydrophobicContact CB-CB 4.14Å; C818-E823 HydrophobicContact CB-CG 4.01Å; S819-E823 PolarHBondContact N-OE2 3.01Å; S819-E823 PolarHBondContact OG-OE2 3.49Å; S820-E823 PolarHBondContact O-N 2.84Å; S820-E823 PolarHBondContact OG-N 3.01Å; S820-E823 VanDerWaalsContact OG-N 3.13Å; E823-A825 PolarHBondContact O-N 3.32Å; E823-R826 PolarHBondContact O-N 3.07Å; E823-A827 VanDerWaalsContact O-CB 3.28Å; E823-A827 WeakPolarHBondContact O-CB 3.45Å; E823-A827 PolarHBondContact O-N 2.99Å
824	A	92.3	Very high	93.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.1	-45.4	175.7	0	0	0	0	0	112.5	I730 C818 S820 K821 S828 M849	I730-A824 HydrophobicContact CD1-CB 3.83Å; C818-A824 HydrophobicContact CB-CB 3.92Å; S820-A824 WeakPolarHBondContact O-CB 3.42Å; S820-A824 PolarHBondContact O-N 3.48Å; S820-A824 VanDerWaalsContact O-N 3.07Å; K821-A824 WeakPolarHBondContact O-CB 3.4Å; K821-A824 PolarHBondContact O-N 3.32Å; A824-S828 WeakPolarHBondContact O-CB 3.15Å; A824-S828 PolarHBondContact O-N 2.87Å; A824-S828 PolarHBondContact O-OG 3.23Å; A824-M849 HydrophobicContact CB-CE 3.85Å
825	A	90	Very high	93.6	Very high	53 Å²	53	36.2 Å²	36.2	44%	0.438	20%	0.198	S	C	.	.	H	α-helix	trans	-64.6	-43.7	177.1	0	0	0	0	0	112.4	K821 E822 E823 S828 S829	K821-A825 WeakPolarHBondContact O-CB 3.45Å; K821-A825 PolarHBondContact O-N 3.46Å; E822-A825 PolarHBondContact O-N 3.33Å; E823-A825 PolarHBondContact O-N 3.32Å; A825-S828 PolarHBondContact O-OG 2.95Å; A825-S829 VanDerWaalsContact O-CB 3.31Å; A825-S829 WeakPolarHBondContact O-CB 3.24Å; A825-S829 PolarHBondContact O-N 2.72Å; A825-S829 VanDerWaalsContact O-N 3.1Å
826	R	91.7	Very high	93.6	Very high	138 Å²	138	41.4 Å²	41.4	52%	0.521	23%	0.225	S	C	.	.	H	α-helix	trans	-64.1	-52.3	175.9	-73.1	-170.3	-57.1	-88.8	-0.6	111.8	E822 E823 S828 S829 E830	E822-R826 WeakPolarHBondContact O-CG 3.25Å; E822-R826 PolarHBondContact O-N 3.39Å; E822-R826 PolarHBondContact O-NH1 3.21Å; E823-R826 PolarHBondContact O-N 3.07Å; R826-S828 VanDerWaalsContact C-N 3.35Å; R826-S828 PolarHBondContact O-N 3.49Å; R826-S829 PolarHBondContact O-N 3.18Å; R826-E830 WeakPolarHBondContact O-CB 3.03Å; R826-E830 PolarHBondContact O-N 3.47Å
827	A	93	Very high	93.6	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.6	-46.6	-177.7	0	0	0	0	0	112.1	Q800 M816 E823 T831	Q800-A827 HydrophobicContact CG-CB 4.11Å; M816-A827 HydrophobicContact CE-CB 4.19Å; M816-A827 HydrophobicContact SD-CB 4.02Å; E823-A827 VanDerWaalsContact O-CB 3.28Å; E823-A827 WeakPolarHBondContact O-CB 3.45Å; E823-A827 PolarHBondContact O-N 2.99Å; A827-T831 VanDerWaalsContact O-CB 3.24Å; A827-T831 WeakPolarHBondContact O-CB 3.48Å; A827-T831 PolarHBondContact O-N 3.46Å; A827-T831 PolarHBondContact O-OG1 2.73Å
828	S	92.2	Very high	93.6	Very high	10 Å²	10	46.9 Å²	46.9	7%	0.07	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-47	178.9	54.4	0	0	0	0	112.4	A824 A825 R826 T831 A832 F852	A824-S828 WeakPolarHBondContact O-CB 3.15Å; A824-S828 PolarHBondContact O-N 2.87Å; A824-S828 PolarHBondContact O-OG 3.23Å; A825-S828 PolarHBondContact O-OG 2.95Å; R826-S828 VanDerWaalsContact C-N 3.35Å; R826-S828 PolarHBondContact O-N 3.49Å; S828-T831 PolarHBondContact O-N 3.18Å; S828-A832 VanDerWaalsContact O-CB 3.23Å; S828-A832 WeakPolarHBondContact O-CB 3.25Å; S828-A832 PolarHBondContact O-N 3.45Å; S828-F852 WeakPolarHBondContact OG-CE2 3.37Å
829	S	92.2	Very high	93.6	Very high	76 Å²	76	47.6 Å²	47.6	53%	0.531	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-45.6	178.9	-172.4	0	0	0	0	111.8	A825 R826 A832 E833	A825-S829 VanDerWaalsContact O-CB 3.31Å; A825-S829 WeakPolarHBondContact O-CB 3.24Å; A825-S829 PolarHBondContact O-N 2.72Å; A825-S829 VanDerWaalsContact O-N 3.1Å; R826-S829 PolarHBondContact O-N 3.18Å; S829-A832 PolarHBondContact O-N 3.31Å; S829-E833 WeakPolarHBondContact O-CB 3.42Å; S829-E833 PolarHBondContact O-N 3.41Å
830	E	94.9	Very high	93.6	Very high	43 Å²	43	44.3 Å²	44.3	20%	0.201	23%	0.23	C	C	.	.	H	α-helix	trans	-65.3	-41.6	-178.8	-164.3	-176.6	135.9	0	0	111.2	Y798 K799 Q800 G801 R826 L834	Y798-E830 WeakPolarHBondContact CA-OE1 3.35Å; Y798-E830 HydrophobicContact CD1-CG 3.6Å; Y798-E830 HydrophobicContact CG-CG 4.23Å; K799-E830 PolarHBondContact N-OE1 2.85Å; Q800-E830 WeakPolarHBondContact CA-OE1 3.48Å; Q800-E830 WeakPolarHBondContact CB-OE2 3.49Å; Q800-E830 PolarHBondContact N-OE1 3.25Å; G801-E830 PolarHBondContact N-OE1 3.17Å; R826-E830 WeakPolarHBondContact O-CB 3.03Å; R826-E830 PolarHBondContact O-N 3.47Å; E830-L834 WeakPolarHBondContact O-CB 3.2Å; E830-L834 PolarHBondContact O-N 3.07Å
831	T	95.5	Very high	93.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.6	-41.4	176.9	-52	0	0	0	0	112	G801 V805 L814 A827 S828 L835 L842	G801-T831 VanDerWaalsContact CA-OG1 3.32Å; G801-T831 WeakPolarHBondContact CA-OG1 3.4Å; V805-T831 HydrophobicContact CG2-CG2 3.76Å; L814-T831 HydrophobicContact CD2-CG2 3.49Å; L814-T831 VanDerWaalsContact CD2-CG2 3.49Å; A827-T831 VanDerWaalsContact O-CB 3.24Å; A827-T831 WeakPolarHBondContact O-CB 3.48Å; A827-T831 PolarHBondContact O-N 3.46Å; A827-T831 PolarHBondContact O-OG1 2.73Å; S828-T831 PolarHBondContact O-N 3.18Å; T831-L835 HydrophobicContact CG2-CD1 3.86Å; T831-L835 HydrophobicContact CG2-CG 4.45Å; T831-L835 WeakPolarHBondContact O-CB 3.48Å; T831-L835 WeakPolarHBondContact O-CG 3.33Å; T831-L835 PolarHBondContact O-N 3.42Å; T831-L842 HydrophobicContact CG2-CD1 4.08Å
832	A	93.7	Very high	93.6	Very high	31 Å²	31	43.9 Å²	43.9	26%	0.256	22%	0.224	S	C	.	.	H	α-helix	trans	-62.5	-45.7	176.9	0	0	0	0	0	111.5	S828 S829 L836 W845	S828-A832 VanDerWaalsContact O-CB 3.23Å; S828-A832 WeakPolarHBondContact O-CB 3.25Å; S828-A832 PolarHBondContact O-N 3.45Å; S829-A832 PolarHBondContact O-N 3.31Å; A832-L836 WeakPolarHBondContact O-CB 3.27Å; A832-L836 PolarHBondContact O-N 2.77Å; A832-W845 HydrophobicContact CB-CZ2 3.96Å
833	E	94.9	Very high	93.4	Very high	77 Å²	77	39.3 Å²	39.3	36%	0.36	20%	0.204	S	C	.	.	H	α-helix	trans	-66.6	-44.8	178.3	-165.7	-168.1	153	0	0	111.6	Y798 S829 L836 R837	Y798-E833 HydrophobicContact CE1-CB 4.06Å; Y798-E833 HydrophobicContact CE1-CG 4.06Å; Y798-E833 VanDerWaalsContact OH-CD 3.27Å; Y798-E833 PolarHBondContact OH-OE1 3.45Å; S829-E833 WeakPolarHBondContact O-CB 3.42Å; S829-E833 PolarHBondContact O-N 3.41Å; E833-L836 PolarHBondContact O-N 3.37Å; E833-R837 WeakPolarHBondContact O-CG 3.02Å; E833-R837 PolarHBondContact O-N 3.22Å; E833-R837 VanDerWaalsContact O-N 3.12Å; E833-R837 IonicContact OE1-CZ 3.47Å; E833-R837 IonicContact OE1-NE 3.97Å; E833-R837 PolarHBondContact OE1-NE 3.48Å; E833-R837 VanDerWaalsContact OE1-NE 3.12Å; E833-R837 IonicContact OE1-NH2 2.79Å; E833-R837 PolarHBondContact OE1-NH2 2.78Å
834	L	96.5	Very high	92.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-52.4	-59.9	175.4	170	62.1	0	0	0	110.1	H790 A791 N794 Y798 A802 V805 E830 L836 R837	H790-L834 PolarHBondContact NE2-O 3.13Å; A791-L834 HydrophobicContact CB-CD2 4.4Å; N794-L834 HydrophobicContact CB-CD1 3.41Å; N794-L834 VanDerWaalsContact CB-CD1 3.41Å; Y798-L834 HydrophobicContact CD1-CB 4.22Å; Y798-L834 HydrophobicContact CD2-CB 4.32Å; Y798-L834 HydrophobicContact CD2-CD1 3.92Å; Y798-L834 HydrophobicContact CG-CB 3.96Å; Y798-L834 HydrophobicContact CG-CD1 4.24Å; A802-L834 HydrophobicContact CB-CD2 4.06Å; V805-L834 HydrophobicContact CG2-CD2 4.21Å; E830-L834 WeakPolarHBondContact O-CB 3.2Å; E830-L834 PolarHBondContact O-N 3.07Å; L834-L836 VanDerWaalsContact C-N 3.35Å; L834-L836 PolarHBondContact O-N 2.78Å; L834-R837 WeakPolarHBondContact O-CB 3.33Å; L834-R837 PolarHBondContact O-N 2.74Å
835	L	96.1	Very high	92.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-37.2	-174.8	-71.9	171.3	0	0	0	112.6	V805 M809 T831 R837 G838 G839 F840 L842	V805-L835 HydrophobicContact CG1-CD2 4.41Å; V805-L835 HydrophobicContact CG2-CD1 3.98Å; V805-L835 HydrophobicContact CG2-CD2 3.95Å; V805-L835 HydrophobicContact CG2-CG 4Å; M809-L835 HydrophobicContact CE-CD1 3.66Å; M809-L835 HydrophobicContact CE-CD2 4.23Å; T831-L835 HydrophobicContact CG2-CD1 3.86Å; T831-L835 HydrophobicContact CG2-CG 4.45Å; T831-L835 WeakPolarHBondContact O-CB 3.48Å; T831-L835 WeakPolarHBondContact O-CG 3.33Å; T831-L835 PolarHBondContact O-N 3.42Å; L835-R837 VanDerWaalsContact C-N 3.28Å; L835-R837 PolarHBondContact O-N 3.48Å; L835-G838 WeakPolarHBondContact O-CA 3.22Å; L835-G838 PolarHBondContact O-N 3.24Å; L835-G839 PolarHBondContact O-N 2.98Å; L835-F840 CarbonylContact C-O 3.58Å; L835-F840 HydrophobicContact CB-CB 3.97Å; L835-F840 VanDerWaalsContact CB-O 3.27Å; L835-F840 WeakPolarHBondContact CB-O 3.15Å; L835-F840 HydrophobicContact CD2-CB 4.26Å; L835-F840 WeakPolarHBondContact O-CA 3.48Å; L835-F840 WeakPolarHBondContact O-CB 3.08Å; L835-F840 PolarHBondContact O-N 2.79Å; L835-L842 HydrophobicContact CD1-CD1 3.49Å; L835-L842 VanDerWaalsContact CD1-CD1 3.49Å; L835-L842 HydrophobicContact CD1-CD2 3.9Å; L835-L842 HydrophobicContact CD1-CG 3.6Å
836	L	95.2	Very high	92.6	Very high	109 Å²	109	40.2 Å²	40.2	57%	0.571	20%	0.198	S	C	*	.	H	α-helix	trans	-60	-38.4	177.1	-177	63.5	0	0	0	111.9	A832 E833 L834 G838 G839 F840 K841	A832-L836 WeakPolarHBondContact O-CB 3.27Å; A832-L836 PolarHBondContact O-N 2.77Å; E833-L836 PolarHBondContact O-N 3.37Å; L834-L836 VanDerWaalsContact C-N 3.35Å; L834-L836 PolarHBondContact O-N 2.78Å; L836-G838 PolarHBondContact O-N 3.4Å; L836-G839 PolarHBondContact O-N 3.31Å; L836-F840 PolarHBondContact N-O 3.38Å; L836-K841 HydrophobicContact CD1-CB 4.45Å
837	R	94.9	Very high	92.5	Very high	119 Å²	119	33.7 Å²	33.7	45%	0.449	17%	0.173	S	C	.	.	H	α-helix	trans	-64.1	-26.4	175.3	-73.6	178.7	-179.8	-114.3	3.9	113.1	F598 K797 Y798 E833 L834 L835 G839	F598-R837 WeakPolarHBondContact CZ-O 3.38Å; K797-R837 VanDerWaalsContact NZ-NH2 3.19Å; Y798-R837 WeakPolarHBondContact OH-CD 3.27Å; Y798-R837 PolarHBondContact OH-NE 3.31Å; Y798-R837 PolarHBondContact OH-NH2 3.41Å; E833-R837 WeakPolarHBondContact O-CG 3.02Å; E833-R837 PolarHBondContact O-N 3.22Å; E833-R837 VanDerWaalsContact O-N 3.12Å; E833-R837 IonicContact OE1-CZ 3.47Å; E833-R837 IonicContact OE1-NE 3.97Å; E833-R837 PolarHBondContact OE1-NE 3.48Å; E833-R837 VanDerWaalsContact OE1-NE 3.12Å; E833-R837 IonicContact OE1-NH2 2.79Å; E833-R837 PolarHBondContact OE1-NH2 2.78Å; L834-R837 WeakPolarHBondContact O-CB 3.33Å; L834-R837 PolarHBondContact O-N 2.74Å; L835-R837 VanDerWaalsContact C-N 3.28Å; L835-R837 PolarHBondContact O-N 3.48Å; R837-G839 VanDerWaalsContact C-N 3.31Å
838	G	94.9	Very high	92.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-0.2	172.7	0	0	0	0	0	114.5	Q601 H790 L835 L836 F840	Q601-G838 CarbonylContact O-C 3.57Å; H790-G838 VanDerWaalsContact CE1-CA 3.44Å; H790-G838 WeakPolarHBondContact CE1-CA 3.32Å; H790-G838 PolarHBondContact CE1-N 3.46Å; H790-G838 PolarHBondContact NE2-N 3.33Å; L835-G838 WeakPolarHBondContact O-CA 3.22Å; L835-G838 PolarHBondContact O-N 3.24Å; L836-G838 PolarHBondContact O-N 3.4Å; G838-F840 WeakPolarHBondContact O-CD2 3.23Å; G838-F840 WeakPolarHBondContact O-CE2 3.43Å
839	G	94.5	Very high	92.2	Very high	16 Å²	16	35.5 Å²	35.5	17%	0.165	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	7.1	-173.4	0	0	0	0	0	114.2	Q601 Q740 L835 L836 R837	Q601-G839 WeakPolarHBondContact O-CA 3.48Å; Q601-G839 PolarHBondContact O-N 3.25Å; Q740-G839 PolarHBondContact OE1-O 3.23Å; L835-G839 PolarHBondContact O-N 2.98Å; L836-G839 PolarHBondContact O-N 3.31Å; R837-G839 VanDerWaalsContact C-N 3.31Å
840	F	95.2	Very high	91.6	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	19%	0.193	C	C	.	.			trans	-100	90	-177.7	-59.1	-72	0	0	0	110.9	Y603 I734 Q740 I741 V786 T787 L835 L836 G838 L842	Y603-F840 HydrophobicContact CD2-CE2 4.42Å; I734-F840 HydrophobicContact CD1-CB 4.26Å; I734-F840 HydrophobicContact CD1-CD1 4.47Å; I734-F840 HydrophobicContact CG2-CB 4.05Å; I734-F840 HydrophobicContact CG2-CD1 3.95Å; I734-F840 HydrophobicContact CG2-CG 4.48Å; Q740-F840 HydrophobicContact CB-CD1 3.83Å; Q740-F840 HydrophobicContact CB-CE1 3.88Å; Q740-F840 HydrophobicContact CG-CD1 4.31Å; I741-F840 HydrophobicContact CD1-CE1 4.2Å; I741-F840 HydrophobicContact CD1-CZ 4.17Å; I741-F840 HydrophobicContact CG1-CE1 3.84Å; I741-F840 HydrophobicContact CG1-CZ 3.82Å; V786-F840 HydrophobicContact CB-CZ 4.45Å; V786-F840 HydrophobicContact CG1-CE2 3.86Å; V786-F840 HydrophobicContact CG1-CZ 3.58Å; T787-F840 HydrophobicContact CG2-CD1 4.22Å; T787-F840 HydrophobicContact CG2-CD2 4.17Å; T787-F840 HydrophobicContact CG2-CE1 4.01Å; T787-F840 HydrophobicContact CG2-CE2 3.97Å; T787-F840 HydrophobicContact CG2-CG 4.29Å; T787-F840 HydrophobicContact CG2-CZ 3.88Å; L835-F840 CarbonylContact C-O 3.58Å; L835-F840 HydrophobicContact CB-CB 3.97Å; L835-F840 VanDerWaalsContact CB-O 3.27Å; L835-F840 WeakPolarHBondContact CB-O 3.15Å; L835-F840 HydrophobicContact CD2-CB 4.26Å; L835-F840 WeakPolarHBondContact O-CA 3.48Å; L835-F840 WeakPolarHBondContact O-CB 3.08Å; L835-F840 PolarHBondContact O-N 2.79Å; L836-F840 PolarHBondContact N-O 3.38Å; G838-F840 WeakPolarHBondContact O-CD2 3.23Å; G838-F840 WeakPolarHBondContact O-CE2 3.43Å; F840-L842 PolarHBondContact O-N 3.21Å
841	K	93.2	Very high	90.8	Very high	86 Å²	86	42.7 Å²	42.7	37%	0.374	21%	0.205	S	C	.	.			trans	-72.7	116	177.1	-174.4	-176.2	173.5	-163.5	0	110.8	E735 L836 T843	E735-K841 PolarHBondContact N-O 3.44Å; E735-K841 IonicContact OE2-NZ 2.82Å; L836-K841 HydrophobicContact CD1-CB 4.45Å; K841-T843 HydrophobicContact CD-CG2 4.35Å; K841-T843 HydrophobicContact CG-CG2 4.19Å
842	L	91.5	Very high	90	Very high	11 Å²	11	43.4 Å²	43.4	6%	0.058	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.7	168.9	-75.7	-177.9	0	0	0	111.4	D733 I734 L814 T831 L835 F840 W845	D733-L842 CarbonylContact O-C 3.56Å; D733-L842 WeakPolarHBondContact O-CA 3.38Å; I734-L842 HydrophobicContact CB-CD2 4.47Å; I734-L842 HydrophobicContact CG1-CD2 3.57Å; L814-L842 HydrophobicContact CD2-CD1 3.87Å; T831-L842 HydrophobicContact CG2-CD1 4.08Å; L835-L842 HydrophobicContact CD1-CD1 3.49Å; L835-L842 VanDerWaalsContact CD1-CD1 3.49Å; L835-L842 HydrophobicContact CD1-CD2 3.9Å; L835-L842 HydrophobicContact CD1-CG 3.6Å; F840-L842 PolarHBondContact O-N 3.21Å; L842-W845 HydrophobicContact CB-CZ2 3.64Å; L842-W845 HydrophobicContact CD1-CH2 3.53Å; L842-W845 HydrophobicContact CD1-CZ2 3.29Å; L842-W845 HydrophobicContact CG-CZ2 4.12Å
843	T	87	Confident	89.1	Confident	17 Å²	17	43.6 Å²	43.6	10%	0.104	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	177.9	-178.1	65.4	0	0	0	0	110.7	D733 E735 K841 W845	D733-T843 PolarHBondContact N-O 3.43Å; D733-T843 PolarHBondContact O-N 2.96Å; D733-T843 PolarHBondContact O-OG1 3.09Å; E735-T843 HydrophobicContact CB-CG2 3.83Å; K841-T843 HydrophobicContact CD-CG2 4.35Å; K841-T843 HydrophobicContact CG-CG2 4.19Å; T843-W845 PolarHBondContact O-N 3.07Å
844	K	81	Confident	87.6	Confident	87 Å²	87	44.2 Å²	44.2	38%	0.378	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.7	37.4	175.8	-54.7	175.8	-169.3	150.1	0	113.4	D733 V846	D733-K844 HydrophobicContact CB-CB 4.44Å; D733-K844 HydrophobicContact CB-CD 4.14Å; D733-K844 WeakPolarHBondContact OD2-CE 3.48Å; D733-K844 IonicContact OD2-NZ 2.73Å; D733-K844 PolarHBondContact OD2-NZ 3.29Å; K844-V846 PolarHBondContact O-N 3.31Å
845	W	87.2	Confident	85.7	Confident	12 Å²	12	49 Å²	49	5%	0.045	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	127.9	176.9	-70.8	99.2	0	0	0	110.6	I730 H731 L814 M816 A832 L842 T843 F852 I856	I730-W845 HydrophobicContact CG2-CE3 3.51Å; I730-W845 HydrophobicContact CG2-CZ3 3.48Å; I730-W845 VanDerWaalsContact CG2-CZ3 3.48Å; H731-W845 WeakPolarHBondContact O-CA 3.38Å; L814-W845 HydrophobicContact CD2-CH2 4.26Å; M816-W845 HydrophobicContact CE-CZ3 4.11Å; A832-W845 HydrophobicContact CB-CZ2 3.96Å; L842-W845 HydrophobicContact CB-CZ2 3.64Å; L842-W845 HydrophobicContact CD1-CH2 3.53Å; L842-W845 HydrophobicContact CD1-CZ2 3.29Å; L842-W845 HydrophobicContact CG-CZ2 4.12Å; T843-W845 PolarHBondContact O-N 3.07Å; W845-F852 HydrophobicContact CB-CE1 4.36Å; W845-F852 HydrophobicContact CE3-CE1 4.33Å; W845-F852 HydrophobicContact CE3-CZ 4.12Å; W845-I856 HydrophobicContact CB-CD1 4.04Å; W845-I856 HydrophobicContact CB-CG2 4.06Å; W845-I856 HydrophobicContact CD2-CD1 4.34Å; W845-I856 HydrophobicContact CG-CD1 4.07Å; W845-I856 HydrophobicContact CG-CG2 4.03Å
846	V	88.8	Confident	84	Confident	12 Å²	12	50.8 Å²	50.8	7%	0.073	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	138.7	172.9	-176.8	0	0	0	0	110.2	I730 H731 K844 A860 V867 T876	I730-V846 WeakPolarHBondContact CA-O 2.98Å; H731-V846 PolarHBondContact N-O 2.86Å; H731-V846 PolarHBondContact O-N 2.91Å; K844-V846 PolarHBondContact O-N 3.31Å; V846-A860 HydrophobicContact CG2-CB 4.05Å; V846-V867 HydrophobicContact CB-CG2 4.14Å; V846-V867 HydrophobicContact CG1-CG2 3.79Å; V846-V867 HydrophobicContact CG2-CG2 4.01Å; V846-T876 HydrophobicContact CG1-CG2 3.54Å
847	S	91.1	Very high	81.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	160.7	172.7	-176.6	0	0	0	0	111.6	G729 M849 N853	G729-S847 VanDerWaalsContact O-CA 3.24Å; G729-S847 WeakPolarHBondContact O-CA 3.15Å; G729-S847 VanDerWaalsContact O-CB 3.28Å; G729-S847 WeakPolarHBondContact O-CB 3.32Å; G729-S847 PolarHBondContact O-OG 3.01Å; S847-M849 PolarHBondContact O-N 3.46Å; S847-M849 PolarHBondContact OG-N 3.36Å; S847-N853 PolarHBondContact N-OD1 2.69Å; S847-N853 PolarHBondContact O-ND2 3.13Å
848	N	90.6	Very high	79.8	Confident	35 Å²	35	53.1 Å²	53.1	19%	0.187	28%	0.275	C	S	.	.	S	Bend	trans	-75.7	-3.5	163.9	65	-8.9	0	0	0	113.1	R727 Y728 G729 W874 T876 D879	R727-N848 PolarHBondContact O-ND2 3.01Å; Y728-N848 WeakPolarHBondContact CA-OD1 3.05Å; G729-N848 PolarHBondContact N-OD1 2.73Å; G729-N848 VanDerWaalsContact N-OD1 3.07Å; N848-W874 HydrophobicContact CB-CZ2 3.92Å; N848-T876 VanDerWaalsContact CA-O 3.27Å; N848-T876 WeakPolarHBondContact CA-O 3.45Å; N848-T876 WeakPolarHBondContact CB-O 3.21Å; N848-D879 PolarHBondContact ND2-OD1 3.16Å
849	M	87.7	Confident	77.5	Confident	13 Å²	13	55.1 Å²	55.1	6%	0.064	29%	0.288	C	S	.	.			trans	-87	117.2	170.1	-174.4	-172.3	-40.1	0	0	110.7	Y728 K821 A824 S847 E851 F852 N853	Y728-M849 HydrophobicContact CD1-CB 4.24Å; Y728-M849 HydrophobicContact CD1-CE 3.84Å; Y728-M849 HydrophobicContact CE1-CE 4.31Å; Y728-M849 HydrophobicContact CG-CE 4.01Å; K821-M849 HydrophobicContact CB-CE 3.74Å; K821-M849 HydrophobicContact CB-SD 4.03Å; K821-M849 HydrophobicContact CD-CE 4.29Å; K821-M849 HydrophobicContact CD-CG 4.49Å; K821-M849 HydrophobicContact CD-SD 3.85Å; K821-M849 HydrophobicContact CG-CE 3.63Å; K821-M849 HydrophobicContact CG-SD 3.86Å; A824-M849 HydrophobicContact CB-CE 3.85Å; S847-M849 PolarHBondContact O-N 3.46Å; S847-M849 PolarHBondContact OG-N 3.36Å; M849-E851 VanDerWaalsContact C-N 3.33Å; M849-E851 HydrophobicContact CG-CB 4.34Å; M849-E851 WeakPolarHBondContact CG-OE2 3.37Å; M849-E851 PolarHBondContact O-N 3.02Å; M849-E851 HydrophobicContact SD-CB 4.48Å; M849-F852 HydrophobicContact CB-CB 3.85Å; M849-F852 HydrophobicContact CG-CB 4.02Å; M849-F852 WeakPolarHBondContact O-CB 3.42Å; M849-F852 PolarHBondContact O-N 2.66Å; M849-F852 HydrophobicContact SD-CB 3.88Å; M849-N853 PolarHBondContact O-N 3.32Å; M849-N853 PolarHBondContact O-ND2 3.48Å
850	K	80	Confident	75.2	Confident	178 Å²	178	55.8 Å²	55.8	77%	0.774	29%	0.293	S	S	*	.	H	α-helix	trans	-61.5	-41	179.9	-69.6	-175	178.7	-179.4	0	112.1	F852 N853 S854	K850-F852 VanDerWaalsContact C-N 3.3Å; K850-F852 PolarHBondContact O-N 3.14Å; K850-N853 PolarHBondContact O-N 3.2Å; K850-S854 PolarHBondContact O-N 2.85Å; K850-S854 PolarHBondContact O-OG 2.63Å
851	E	77.1	Confident	72.8	Confident	93 Å²	93	60.7 Å²	60.7	44%	0.435	32%	0.324	S	S	.	.	H	α-helix	trans	-65.8	-33.2	-178.7	-54.4	93.9	149.6	0	0	112.4	K821 M849 S854 C855	K821-E851 VanDerWaalsContact NZ-CD 3.34Å; K821-E851 IonicContact NZ-OE1 3.01Å; K821-E851 PolarHBondContact NZ-OE1 3.4Å; K821-E851 IonicContact NZ-OE2 3.28Å; K821-E851 PolarHBondContact NZ-OE2 2.91Å; M849-E851 VanDerWaalsContact C-N 3.33Å; M849-E851 HydrophobicContact CG-CB 4.34Å; M849-E851 WeakPolarHBondContact CG-OE2 3.37Å; M849-E851 PolarHBondContact O-N 3.02Å; M849-E851 HydrophobicContact SD-CB 4.48Å; E851-S854 VanDerWaalsContact C-OG 3.31Å; E851-S854 WeakPolarHBondContact CA-OG 3.47Å; E851-S854 PolarHBondContact O-N 3.11Å; E851-S854 PolarHBondContact O-OG 3.22Å; E851-C855 PolarHBondContact O-N 3.33Å; E851-C855 PolarHBondContact O-SG 3.35Å
852	F	79	Confident	70.3	Confident	15 Å²	15	62.7 Å²	62.7	7%	0.066	34%	0.344	C	S	.	.	H	α-helix	trans	-64.6	-45.4	177.3	-175.5	-93.9	0	0	0	111.8	I730 S828 W845 M849 K850 S854 C855 I856	I730-F852 HydrophobicContact CD1-CE2 3.93Å; I730-F852 HydrophobicContact CD1-CZ 3.93Å; I730-F852 HydrophobicContact CG1-CE1 4.41Å; I730-F852 HydrophobicContact CG1-CE2 4.49Å; I730-F852 HydrophobicContact CG1-CZ 4.15Å; I730-F852 HydrophobicContact CG2-CE1 4.04Å; I730-F852 HydrophobicContact CG2-CZ 3.87Å; S828-F852 WeakPolarHBondContact OG-CE2 3.37Å; W845-F852 HydrophobicContact CB-CE1 4.36Å; W845-F852 HydrophobicContact CE3-CE1 4.33Å; W845-F852 HydrophobicContact CE3-CZ 4.12Å; M849-F852 HydrophobicContact CB-CB 3.85Å; M849-F852 HydrophobicContact CG-CB 4.02Å; M849-F852 WeakPolarHBondContact O-CB 3.42Å; M849-F852 PolarHBondContact O-N 2.66Å; M849-F852 HydrophobicContact SD-CB 3.88Å; K850-F852 VanDerWaalsContact C-N 3.3Å; K850-F852 PolarHBondContact O-N 3.14Å; F852-S854 PolarHBondContact O-N 3.39Å; F852-C855 PolarHBondContact O-N 2.74Å; F852-C855 VanDerWaalsContact O-N 3.13Å; F852-I856 HydrophobicContact CD1-CD1 3.94Å; F852-I856 HydrophobicContact CD2-CD1 4.26Å; F852-I856 HydrophobicContact CE1-CD1 3.32Å; F852-I856 HydrophobicContact CE2-CD1 3.68Å; F852-I856 HydrophobicContact CG-CD1 4.39Å; F852-I856 HydrophobicContact CZ-CD1 3.18Å; F852-I856 HydrophobicContact CZ-CG1 4.48Å; F852-I856 PolarHBondContact O-N 2.99Å
853	N	74	Confident	68.1	Low	34 Å²	34	65.5 Å²	65.5	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-66.5	-26.7	-177.9	-64	-32.3	0	0	0	112.6	S847 M849 K850 S859	S847-N853 PolarHBondContact N-OD1 2.69Å; S847-N853 PolarHBondContact O-ND2 3.13Å; M849-N853 PolarHBondContact O-N 3.32Å; M849-N853 PolarHBondContact O-ND2 3.48Å; K850-N853 PolarHBondContact O-N 3.2Å; N853-S859 VanDerWaalsContact O-CB 3.32Å; N853-S859 WeakPolarHBondContact O-CB 3.46Å; N853-S859 PolarHBondContact O-OG 3.04Å
854	S	63.2	Low	66.6	Low	91 Å²	91	71.4 Å²	71.4	64%	0.636	40%	0.396	S	S	*	.	H	α-helix	trans	-77.6	-27	173.8	43.1	0	0	0	0	114	K850 E851 F852	K850-S854 PolarHBondContact O-N 2.85Å; K850-S854 PolarHBondContact O-OG 2.63Å; E851-S854 VanDerWaalsContact C-OG 3.31Å; E851-S854 WeakPolarHBondContact CA-OG 3.47Å; E851-S854 PolarHBondContact O-N 3.11Å; E851-S854 PolarHBondContact O-OG 3.22Å; F852-S854 PolarHBondContact O-N 3.39Å
855	C	58.3	Low	66.1	Low	100 Å²	100	73.1 Å²	73.1	68%	0.676	41%	0.406	S	S	*	.	H	α-helix	trans	-90.1	-17.2	-171.9	-69	0	0	0	0	114.5	E851 F852	E851-C855 PolarHBondContact O-N 3.33Å; E851-C855 PolarHBondContact O-SG 3.35Å; F852-C855 PolarHBondContact O-N 2.74Å; F852-C855 VanDerWaalsContact O-N 3.13Å
856	I	59.2	Low	65.8	Low	38 Å²	38	74.8 Å²	74.8	20%	0.195	42%	0.417	C	S	.	.	S	Bend	trans	-96.5	112.2	-176.8	-62.6	-177.9	0	0	0	110.6	W845 F852 N858 S859	W845-I856 HydrophobicContact CB-CD1 4.04Å; W845-I856 HydrophobicContact CB-CG2 4.06Å; W845-I856 HydrophobicContact CD2-CD1 4.34Å; W845-I856 HydrophobicContact CG-CD1 4.07Å; W845-I856 HydrophobicContact CG-CG2 4.03Å; F852-I856 HydrophobicContact CD1-CD1 3.94Å; F852-I856 HydrophobicContact CD2-CD1 4.26Å; F852-I856 HydrophobicContact CE1-CD1 3.32Å; F852-I856 HydrophobicContact CE2-CD1 3.68Å; F852-I856 HydrophobicContact CG-CD1 4.39Å; F852-I856 HydrophobicContact CZ-CD1 3.18Å; F852-I856 HydrophobicContact CZ-CG1 4.48Å; F852-I856 PolarHBondContact O-N 2.99Å; I856-N858 PolarHBondContact O-N 2.88Å; I856-S859 PolarHBondContact O-N 3.45Å; I856-S859 VanDerWaalsContact O-N 3.09Å; I856-S859 PolarHBondContact O-OG 3.08Å
857	H	49.4	Very low	65.7	Low	178 Å²	178	75.4 Å²	75.4	82%	0.824	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	121.4	162.6	-73.3	-70.2	0	0	0	108.9
858	N	51.7	Low	65.5	Low	99 Å²	99	81.4 Å²	81.4	53%	0.529	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	20.1	-168.4	-50.7	-48.7	0	0	0	116.6	I856	I856-N858 PolarHBondContact O-N 2.88Å
859	S	47.8	Very low	65.4	Low	41 Å²	41	79.8 Å²	79.8	29%	0.287	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-59.3	142.9	163.4	47.2	0	0	0	0	111	N853 I856	N853-S859 VanDerWaalsContact O-CB 3.32Å; N853-S859 WeakPolarHBondContact O-CB 3.46Å; N853-S859 PolarHBondContact O-OG 3.04Å; I856-S859 PolarHBondContact O-N 3.45Å; I856-S859 VanDerWaalsContact O-N 3.09Å; I856-S859 PolarHBondContact O-OG 3.08Å
860	A	46.1	Very low	65.4	Low	31 Å²	31	79.6 Å²	79.6	26%	0.256	44%	0.438	S	S	.	.			trans	-55.1	147.3	168.9	0	0	0	0	0	108.8	V846 T862	V846-A860 HydrophobicContact CG2-CB 4.05Å; A860-T862 PolarHBondContact O-N 2.89Å
861	P	44.3	Very low	65.7	Low	103 Å²	103	72 Å²	72	67%	0.669	41%	0.409	S	S	*	.			trans	-45.3	116.2	-177.7	-7.5	1.5	0	0	0	109.6	G863	P861-G863 PolarHBondContact O-N 3.17Å
862	T	40.7	Very low	66.3	Low	128 Å²	128	67.6 Å²	67.6	79%	0.785	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.8	109.9	177.7	35.2	0	0	0	0	108.8	A860	A860-T862 PolarHBondContact O-N 2.89Å
863	G	46.3	Very low	66.8	Low	71 Å²	71	69.1 Å²	69.1	73%	0.732	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	136.6	-8.1	179.2	0	0	0	0	0	117	P861 E865	P861-G863 PolarHBondContact O-N 3.17Å; G863-E865 PolarHBondContact O-N 3.5Å; G863-E865 VanDerWaalsContact O-N 3.14Å
864	R	54.3	Low	67.7	Low	140 Å²	140	67.5 Å²	67.5	53%	0.528	39%	0.388	S	S	.	.			trans	-80.4	94.4	169.3	-78.2	-172.8	177.1	174.7	-2.6	110.4	S683 T866	S683-R864 PolarHBondContact OG-NH1 2.98Å; R864-T866 PolarHBondContact O-N 3.36Å
865	E	70.1	Confident	68.9	Low	124 Å²	124	67.4 Å²	67.4	58%	0.579	37%	0.374	S	S	*	.			trans	-64.6	-15.1	172.2	-64.5	-170.5	150.3	0	0	112.8	G863 Y875 T876	G863-E865 PolarHBondContact O-N 3.5Å; G863-E865 VanDerWaalsContact O-N 3.14Å; E865-Y875 CarbonylContact O-C 3.41Å; E865-Y875 WeakPolarHBondContact O-CA 3.46Å; E865-T876 PolarHBondContact O-N 2.65Å; E865-T876 PolarHBondContact O-OG1 2.95Å
866	T	82.1	Confident	70.4	Confident	47 Å²	47	63.3 Å²	63.3	29%	0.288	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.3	-178.3	-42.6	0	0	0	0	111.6	R864 Q873 W874 Y875	R864-T866 PolarHBondContact O-N 3.36Å; T866-Q873 HydrophobicContact CG2-CB 3.95Å; T866-Q873 HydrophobicContact CG2-CG 4.48Å; T866-Q873 VanDerWaalsContact CG2-OE1 3.22Å; T866-W874 CarbonylContact C-O 3.59Å; T866-W874 WeakPolarHBondContact CA-O 2.94Å; T866-Y875 HydrophobicContact CG2-CD1 4.14Å; T866-Y875 HydrophobicContact CG2-CE1 3.91Å; T866-Y875 HydrophobicContact CG2-CE2 4.5Å; T866-Y875 VanDerWaalsContact OG1-CD1 3.3Å; T866-Y875 WeakPolarHBondContact OG1-CD1 3.33Å; T866-Y875 WeakPolarHBondContact OG1-CE1 3.33Å
867	V	85.8	Confident	71.6	Confident	24 Å²	24	64.8 Å²	64.8	15%	0.145	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.6	178.4	-177.1	0	0	0	0	110.3	H731 V846 T869 W874 T876	H731-V867 VanDerWaalsContact ND1-CG1 3.33Å; H731-V867 WeakPolarHBondContact ND1-CG1 3.49Å; V846-V867 HydrophobicContact CB-CG2 4.14Å; V846-V867 HydrophobicContact CG1-CG2 3.79Å; V846-V867 HydrophobicContact CG2-CG2 4.01Å; V867-T869 PolarHBondContact O-N 3.4Å; V867-T869 PolarHBondContact O-OG1 3.4Å; V867-W874 PolarHBondContact N-O 3.45Å; V867-W874 PolarHBondContact O-N 3.19Å; V867-T876 HydrophobicContact CG2-CG2 4.04Å
868	K	87	Confident	73.5	Confident	127 Å²	127	60 Å²	60	55%	0.552	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	117	171.3	-169.7	174	-174.3	169	0	109.2	H731 L872	H731-K868 PolarHBondContact CE1-O 3.43Å; H731-K868 VanDerWaalsContact CE1-O 3.3Å; K868-L872 CarbonylContact C-O 3.53Å; K868-L872 VanDerWaalsContact CA-O 3.28Å; K868-L872 WeakPolarHBondContact CA-O 3.44Å
869	T	88.8	Confident	75.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	109.7	-174	-53.7	0	0	0	0	108.1	F723 V815 V867 G871 L872	F723-T869 HydrophobicContact CE1-CG2 4.21Å; V815-T869 HydrophobicContact CB-CG2 4.4Å; V815-T869 HydrophobicContact CG1-CG2 3.71Å; V815-T869 HydrophobicContact CG2-CG2 3.71Å; V867-T869 PolarHBondContact O-N 3.4Å; V867-T869 PolarHBondContact O-OG1 3.4Å; T869-G871 PolarHBondContact O-N 3.46Å; T869-G871 VanDerWaalsContact O-N 3.09Å; T869-L872 PolarHBondContact N-O 3.39Å; T869-L872 PolarHBondContact O-N 3.17Å
870	L	88.6	Confident	77.4	Confident	10 Å²	10	60.4 Å²	60.4	5%	0.052	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	36.1	177.8	-57.6	-177.9	0	0	0	114.8	L716 I719 L720 Y810 D813 V815	L716-L870 HydrophobicContact CD1-CB 3.89Å; L716-L870 HydrophobicContact CD1-CD1 4.1Å; L716-L870 HydrophobicContact CD1-CD2 4.5Å; L716-L870 HydrophobicContact CD1-CG 4.38Å; I719-L870 HydrophobicContact CB-CD1 4.19Å; I719-L870 HydrophobicContact CG2-CD1 3.53Å; L720-L870 HydrophobicContact CD2-CB 4.17Å; L720-L870 HydrophobicContact CD2-CD1 4.12Å; L720-L870 HydrophobicContact CG-CD1 4.4Å; Y810-L870 HydrophobicContact CD1-CD2 4.01Å; Y810-L870 HydrophobicContact CG-CD2 4.07Å; D813-L870 HydrophobicContact CB-CD2 3.74Å; V815-L870 HydrophobicContact CB-CD1 4.14Å; V815-L870 HydrophobicContact CG1-CD1 4.48Å; V815-L870 HydrophobicContact CG2-CD1 4.02Å; V815-L870 HydrophobicContact CG2-CD2 4.26Å; V815-L870 HydrophobicContact CG2-CG 3.91Å
871	G	86.5	Confident	79.5	Confident	17 Å²	17	60.6 Å²	60.6	18%	0.175	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	-12	-178.9	0	0	0	0	0	115.4	T869 N884	T869-G871 PolarHBondContact O-N 3.46Å; T869-G871 VanDerWaalsContact O-N 3.09Å; G871-N884 PolarHBondContact O-ND2 3.26Å
872	L	89.3	Confident	81.6	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	166.1	173.5	-61	178.2	0	0	0	111.7	L720 K868 T869 L881 L883 P909 L910	L720-L872 HydrophobicContact CD1-CD1 3.96Å; L720-L872 HydrophobicContact CD2-CD1 3.98Å; K868-L872 CarbonylContact C-O 3.53Å; K868-L872 VanDerWaalsContact CA-O 3.28Å; K868-L872 WeakPolarHBondContact CA-O 3.44Å; T869-L872 PolarHBondContact N-O 3.39Å; T869-L872 PolarHBondContact O-N 3.17Å; L872-L881 HydrophobicContact CD1-CD1 4.12Å; L872-L883 HydrophobicContact CD2-CD2 3.68Å; L872-P909 HydrophobicContact CD1-CG 4.34Å; L872-P909 HydrophobicContact CD2-CG 4.17Å; L872-P909 HydrophobicContact CG-CG 4.26Å; L872-L910 HydrophobicContact CD1-CD1 4.32Å
873	Q	89.8	Confident	83.8	Confident	48 Å²	48	53 Å²	53	22%	0.224	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.2	167.3	-62.4	-62.7	-40.9	0	0	109.1	T866 Y875 L881 A882 N884	T866-Q873 HydrophobicContact CG2-CB 3.95Å; T866-Q873 HydrophobicContact CG2-CG 4.48Å; T866-Q873 VanDerWaalsContact CG2-OE1 3.22Å; Q873-Y875 HydrophobicContact CB-CE2 4.42Å; Q873-L881 CarbonylContact O-C 3.55Å; Q873-L881 WeakPolarHBondContact O-CA 3.47Å; Q873-A882 HydrophobicContact CB-CB 4.36Å; Q873-A882 PolarHBondContact N-O 2.85Å; Q873-A882 PolarHBondContact O-N 2.83Å; Q873-N884 PolarHBondContact NE2-OD1 3.32Å
874	W	91.6	Very high	85.3	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.5	174.6	179.2	38.7	0	0	0	110.1	F723 G729 H731 N848 T866 V867 T876 D879 Q880 L881	F723-W874 HydrophobicContact CE1-CD2 4.09Å; F723-W874 HydrophobicContact CE1-CE3 4.44Å; F723-W874 HydrophobicContact CE1-CG 4.3Å; F723-W874 HydrophobicContact CE2-CH2 4.33Å; F723-W874 HydrophobicContact CE2-CZ2 4.47Å; F723-W874 AromaticContact CZ-CD2 3.75Å; F723-W874 HydrophobicContact CZ-CD2 3.75Å; F723-W874 AromaticContact CZ-CE2 3.7Å; F723-W874 AromaticContact CZ-CE3 3.81Å; F723-W874 HydrophobicContact CZ-CE3 3.81Å; F723-W874 HydrophobicContact CZ-CG 4.44Å; F723-W874 AromaticContact CZ-CH2 3.81Å; F723-W874 HydrophobicContact CZ-CH2 3.81Å; F723-W874 AromaticContact CZ-CZ2 3.74Å; F723-W874 HydrophobicContact CZ-CZ2 3.74Å; F723-W874 AromaticContact CZ-CZ3 3.85Å; F723-W874 HydrophobicContact CZ-CZ3 3.85Å; G729-W874 WeakPolarHBondContact O-CH2 3.5Å; H731-W874 HydrophobicContact CB-CE3 4.48Å; H731-W874 HydrophobicContact CB-CZ3 4.02Å; N848-W874 HydrophobicContact CB-CZ2 3.92Å; T866-W874 CarbonylContact C-O 3.59Å; T866-W874 WeakPolarHBondContact CA-O 2.94Å; V867-W874 PolarHBondContact N-O 3.45Å; V867-W874 PolarHBondContact O-N 3.19Å; W874-T876 HydrophobicContact CD2-CG2 3.98Å; W874-T876 HydrophobicContact CE3-CG2 3.85Å; W874-T876 HydrophobicContact CH2-CG2 4.27Å; W874-T876 HydrophobicContact CZ2-CG2 4.4Å; W874-T876 HydrophobicContact CZ3-CG2 3.99Å; W874-T876 PolarHBondContact O-N 3.14Å; W874-D879 PolarHBondContact NE1-OD1 2.87Å; W874-Q880 WeakPolarHBondContact CA-O 3.12Å; W874-L881 HydrophobicContact CB-CD2 3.77Å; W874-L881 HydrophobicContact CG-CD2 4.05Å
875	Y	89.9	Confident	86.1	Confident	88 Å²	88	53.5 Å²	53.5	35%	0.345	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	104.7	173	-64.6	-88.3	0	0	0	109.2	E865 T866 Q873 S877 T878 D879 Q880 A882	E865-Y875 CarbonylContact O-C 3.41Å; E865-Y875 WeakPolarHBondContact O-CA 3.46Å; T866-Y875 HydrophobicContact CG2-CD1 4.14Å; T866-Y875 HydrophobicContact CG2-CE1 3.91Å; T866-Y875 HydrophobicContact CG2-CE2 4.5Å; T866-Y875 VanDerWaalsContact OG1-CD1 3.3Å; T866-Y875 WeakPolarHBondContact OG1-CD1 3.33Å; T866-Y875 WeakPolarHBondContact OG1-CE1 3.33Å; Q873-Y875 HydrophobicContact CB-CE2 4.42Å; Y875-S877 VanDerWaalsContact C-N 3.34Å; Y875-S877 PolarHBondContact O-N 2.9Å; Y875-T878 WeakPolarHBondContact CB-OG1 3.41Å; Y875-D879 WeakPolarHBondContact O-CA 3.26Å; Y875-D879 PolarHBondContact O-N 3.31Å; Y875-Q880 HydrophobicContact CD2-CB 4.41Å; Y875-Q880 PolarHBondContact N-O 3.13Å; Y875-Q880 PolarHBondContact O-N 3.09Å; Y875-A882 HydrophobicContact CD2-CB 4.39Å; Y875-A882 HydrophobicContact CE2-CB 3.69Å
876	T	88.8	Confident	85.9	Confident	15 Å²	15	48.8 Å²	48.8	9%	0.092	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-28.1	-170	61.7	0	0	0	0	112.2	V846 N848 E865 V867 W874	V846-T876 HydrophobicContact CG1-CG2 3.54Å; N848-T876 VanDerWaalsContact CA-O 3.27Å; N848-T876 WeakPolarHBondContact CA-O 3.45Å; N848-T876 WeakPolarHBondContact CB-O 3.21Å; E865-T876 PolarHBondContact O-N 2.65Å; E865-T876 PolarHBondContact O-OG1 2.95Å; V867-T876 HydrophobicContact CG2-CG2 4.04Å; W874-T876 HydrophobicContact CD2-CG2 3.98Å; W874-T876 HydrophobicContact CE3-CG2 3.85Å; W874-T876 HydrophobicContact CH2-CG2 4.27Å; W874-T876 HydrophobicContact CZ2-CG2 4.4Å; W874-T876 HydrophobicContact CZ3-CG2 3.99Å; W874-T876 PolarHBondContact O-N 3.14Å
877	S	85.6	Confident	85.2	Confident	69 Å²	69	49.6 Å²	49.6	48%	0.483	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-39.4	179.5	53.6	0	0	0	0	112.8	Y875	Y875-S877 VanDerWaalsContact C-N 3.34Å; Y875-S877 PolarHBondContact O-N 2.9Å
878	T	89.1	Confident	84.2	Confident	78 Å²	78	54.5 Å²	54.5	48%	0.479	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-6.5	-179.1	57	0	0	0	0	113.6	Y875 Q880	Y875-T878 WeakPolarHBondContact CB-OG1 3.41Å; T878-Q880 VanDerWaalsContact C-N 3.34Å; T878-Q880 PolarHBondContact O-N 2.6Å; T878-Q880 PolarHBondContact OG1-OE1 3.17Å
879	D	90.3	Very high	83	Confident	30 Å²	30	56.9 Å²	56.9	16%	0.16	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	47	-171.8	-169.3	41.9	0	0	0	113.6	R724 N848 W874 Y875	R724-D879 IonicContact CZ-OD2 4Å; R724-D879 VanDerWaalsContact NH1-CG 3.33Å; R724-D879 IonicContact NH1-OD1 3.5Å; R724-D879 PolarHBondContact NH1-OD1 3.31Å; R724-D879 IonicContact NH1-OD2 3.39Å; R724-D879 PolarHBondContact NH1-OD2 2.89Å; R724-D879 PolarHBondContact NH2-O 3.39Å; R724-D879 IonicContact NH2-OD2 2.66Å; R724-D879 PolarHBondContact NH2-OD2 3.11Å; N848-D879 PolarHBondContact ND2-OD1 3.16Å; W874-D879 PolarHBondContact NE1-OD1 2.87Å; Y875-D879 WeakPolarHBondContact O-CA 3.26Å; Y875-D879 PolarHBondContact O-N 3.31Å
880	Q	90.6	Very high	81.8	Confident	118 Å²	118	60 Å²	60	55%	0.551	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.6	179.7	-68.7	175.9	-17	0	0	111.2	W874 Y875 T878	W874-Q880 WeakPolarHBondContact CA-O 3.12Å; Y875-Q880 HydrophobicContact CD2-CB 4.41Å; Y875-Q880 PolarHBondContact N-O 3.13Å; Y875-Q880 PolarHBondContact O-N 3.09Å; T878-Q880 VanDerWaalsContact C-N 3.34Å; T878-Q880 PolarHBondContact O-N 2.6Å; T878-Q880 PolarHBondContact OG1-OE1 3.17Å
881	L	89.7	Confident	80.7	Confident	35 Å²	35	65.9 Å²	65.9	18%	0.183	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.7	167.1	-69.6	178.3	0	0	0	109.4	F723 R724 L872 Q873 W874 L910	F723-L881 HydrophobicContact CE1-CD2 4.31Å; R724-L881 HydrophobicContact CG-CD1 3.71Å; L872-L881 HydrophobicContact CD1-CD1 4.12Å; Q873-L881 CarbonylContact O-C 3.55Å; Q873-L881 WeakPolarHBondContact O-CA 3.47Å; W874-L881 HydrophobicContact CB-CD2 3.77Å; W874-L881 HydrophobicContact CG-CD2 4.05Å; L881-L910 HydrophobicContact CD1-CD1 4.47Å
882	A	88.9	Confident	79.5	Confident	30 Å²	30	70.4 Å²	70.4	25%	0.248	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.3	173	0	0	0	0	0	111	Q873 Y875	Q873-A882 HydrophobicContact CB-CB 4.36Å; Q873-A882 PolarHBondContact N-O 2.85Å; Q873-A882 PolarHBondContact O-N 2.83Å; Y875-A882 HydrophobicContact CD2-CB 4.39Å; Y875-A882 HydrophobicContact CE2-CB 3.69Å
883	L	85.8	Confident	78.4	Confident	40 Å²	40	75 Å²	75	21%	0.209	39%	0.388	C	S	.	.			trans	-73.2	154.2	172.2	-61.1	169	0	0	0	109.9	L872 H885 F907 D908 I913	L872-L883 HydrophobicContact CD2-CD2 3.68Å; L883-H885 PolarHBondContact O-N 3.09Å; L883-F907 WeakPolarHBondContact CD2-O 3.44Å; L883-D908 HydrophobicContact CD1-CB 4.46Å; L883-D908 HydrophobicContact CD2-CB 3.9Å; L883-I913 HydrophobicContact CD1-CB 4.2Å; L883-I913 HydrophobicContact CD1-CD1 3.43Å; L883-I913 VanDerWaalsContact CD1-CD1 3.43Å; L883-I913 HydrophobicContact CD1-CG1 3.51Å; L883-I913 HydrophobicContact CD1-CG2 3.67Å
884	N	78	Confident	77.8	Confident	50 Å²	50	72.8 Å²	72.8	27%	0.267	38%	0.377	S	S	.	.			trans	-60.4	138.2	169.6	-66.6	-38.8	0	0	0	109	G871 Q873 V886	G871-N884 PolarHBondContact O-ND2 3.26Å; Q873-N884 PolarHBondContact NE2-OD1 3.32Å; N884-V886 PolarHBondContact O-N 2.97Å
885	H	71.4	Confident	77.5	Confident	173 Å²	173	73.3 Å²	73.3	80%	0.801	38%	0.381	S	S	*	.			trans	-62.3	108.2	177.8	-179.3	-73.3	0	0	0	110.2	L883	L883-H885 PolarHBondContact O-N 3.09Å
886	V	67.2	Low	77.3	Confident	24 Å²	24	69.4 Å²	69.4	15%	0.145	37%	0.366	C	S	.	.			trans	-92.9	121.4	169.8	-177.6	0	0	0	0	107.8	N884 W888 E905 V906	N884-V886 PolarHBondContact O-N 2.97Å; V886-W888 HydrophobicContact CG1-CD2 4.46Å; V886-W888 PolarHBondContact O-N 2.88Å; V886-W888 VanDerWaalsContact O-N 3.11Å; V886-E905 HydrophobicContact CG1-CB 4.18Å; V886-V906 HydrophobicContact CG1-CG2 4.4Å; V886-V906 HydrophobicContact CG2-CG2 4.12Å
887	S	66	Low	77.1	Confident	65 Å²	65	74.4 Å²	74.4	46%	0.455	38%	0.383	S	S	.	.			trans	-77.7	95.3	175.9	169.7	0	0	0	0	109.5	K889	S887-K889 PolarHBondContact O-N 3Å
888	W	64.9	Low	77.1	Confident	126 Å²	126	73 Å²	73	48%	0.477	37%	0.369	S	S	.	.			trans	-73.6	44.9	175.5	-60.9	92.9	0	0	0	113.6	V886 L890 T902 V906 L917	V886-W888 HydrophobicContact CG1-CD2 4.46Å; V886-W888 PolarHBondContact O-N 2.88Å; V886-W888 VanDerWaalsContact O-N 3.11Å; W888-L890 PolarHBondContact O-N 3.37Å; W888-L890 VanDerWaalsContact O-N 3.12Å; W888-T902 HydrophobicContact CD2-CG2 4.05Å; W888-T902 HydrophobicContact CE3-CG2 3.29Å; W888-T902 HydrophobicContact CH2-CG2 4.42Å; W888-T902 HydrophobicContact CZ3-CG2 3.5Å; W888-V906 HydrophobicContact CH2-CG2 3.45Å; W888-V906 VanDerWaalsContact CH2-CG2 3.45Å; W888-V906 HydrophobicContact CZ2-CG2 3.21Å; W888-L917 HydrophobicContact CH2-CD2 4.04Å; W888-L917 HydrophobicContact CZ2-CD2 4.32Å
889	K	63.1	Low	76.8	Confident	178 Å²	178	69.6 Å²	69.6	77%	0.774	35%	0.349	S	S	*	.			trans	-82.8	89.3	170.7	-69.5	-174.6	-178.5	-177.6	0	107.7	S887 E891	S887-K889 PolarHBondContact O-N 3Å; K889-E891 PolarHBondContact O-N 3.41Å
890	L	63.4	Low	76.5	Confident	66 Å²	66	69.6 Å²	69.6	35%	0.346	35%	0.348	S	S	.	.			trans	-59.4	120.9	163.5	-123.3	74.3	0	0	0	107	W888 A894 F943	W888-L890 PolarHBondContact O-N 3.37Å; W888-L890 VanDerWaalsContact O-N 3.12Å; L890-A894 HydrophobicContact CD2-CB 3.36Å; L890-A894 HydrophobicContact CG-CB 3.76Å; L890-F943 HydrophobicContact CD2-CE2 4.5Å
891	E	64.5	Low	76.2	Confident	133 Å²	133	70.3 Å²	70.3	62%	0.621	35%	0.349	S	S	*	.			trans	-57.1	156.1	172.7	-66.2	-179.8	-179.7	0	0	109.4	K889 I893	K889-E891 PolarHBondContact O-N 3.41Å; E891-I893 CarbonylContact O-C 3.18Å; E891-I893 PolarHBondContact O-N 3.34Å
892	S	62.8	Low	75.8	Confident	111 Å²	111	69.3 Å²	69.3	78%	0.776	35%	0.345	S	S	*	.	S	Bend	trans	-54	-19.4	-179.8	52.8	0	0	0	0	113.3
893	I	65.3	Low	75.5	Confident	99 Å²	99	68.8 Å²	68.8	51%	0.508	34%	0.338	S	S	.	.	S	Bend	trans	-121.7	97.1	171.9	-56.3	175.1	0	0	0	107.6	E891 I898 P937	E891-I893 CarbonylContact O-C 3.18Å; E891-I893 PolarHBondContact O-N 3.34Å; I893-I898 WeakPolarHBondContact O-CD1 3.39Å; I893-P937 HydrophobicContact CG2-CB 3.83Å; I893-P937 HydrophobicContact CG2-CG 3.87Å
894	A	76.9	Confident	75.2	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.354	C	S	.	.			trans	-84.1	144.4	170.9	0	0	0	0	0	110	L890 P937 L938 F943	L890-A894 HydrophobicContact CD2-CB 3.36Å; L890-A894 HydrophobicContact CG-CB 3.76Å; A894-P937 CarbonylContact O-C 3.55Å; A894-L938 HydrophobicContact CB-CB 4.39Å; A894-L938 HydrophobicContact CB-CD1 3.82Å; A894-L938 HydrophobicContact CB-CG 4.22Å; A894-L938 WeakPolarHBondContact O-CB 3.04Å; A894-L938 WeakPolarHBondContact O-CG 3.39Å; A894-L938 PolarHBondContact O-N 2.63Å; A894-F943 HydrophobicContact CB-CD2 4.03Å; A894-F943 HydrophobicContact CB-CE2 3.9Å
895	T	85.9	Confident	75.4	Confident	12 Å²	12	72.9 Å²	72.9	7%	0.074	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-127.2	166.9	174.1	67.6	0	0	0	0	109.6	R897 I898 V899 W934 D935	T895-R897 PolarHBondContact O-N 3.39Å; T895-R897 PolarHBondContact OG1-N 3.13Å; T895-I898 HydrophobicContact CG2-CD1 4.33Å; T895-I898 PolarHBondContact O-N 3.34Å; T895-I898 VanDerWaalsContact O-N 3.11Å; T895-I898 WeakPolarHBondContact OG1-CG1 3.13Å; T895-I898 PolarHBondContact OG1-N 2.73Å; T895-V899 PolarHBondContact O-N 3.47Å; T895-W934 WeakPolarHBondContact CB-O 3.41Å; T895-W934 PolarHBondContact OG1-O 3.14Å; T895-D935 WeakPolarHBondContact CG2-O 3.23Å
896	K	85.3	Confident	75.9	Confident	6 Å²	6	65.7 Å²	65.7	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-54.6	-39.2	174.2	176.1	-179.4	-86.8	172.4	0	111.7	L900 L924 M927 W928 K932 W934	K896-L900 WeakPolarHBondContact O-CB 3.34Å; K896-L900 PolarHBondContact O-N 3.33Å; K896-L924 HydrophobicContact CG-CD1 4.06Å; K896-M927 HydrophobicContact CB-SD 3.84Å; K896-M927 HydrophobicContact CG-SD 4.22Å; K896-M927 PolarHBondContact NZ-O 2.94Å; K896-W928 HydrophobicContact CD-CD2 4.18Å; K896-W928 HydrophobicContact CD-CE3 4.01Å; K896-W928 HydrophobicContact CD-CH2 3.7Å; K896-W928 HydrophobicContact CD-CZ2 3.87Å; K896-W928 HydrophobicContact CD-CZ3 3.8Å; K896-W928 HydrophobicContact CG-CH2 4.12Å; K896-W928 HydrophobicContact CG-CZ3 4.03Å; K896-K932 PolarHBondContact NZ-O 3.35Å; K896-W934 HydrophobicContact CD-CE3 4.13Å; K896-W934 HydrophobicContact CD-CZ3 4.36Å; K896-W934 HydrophobicContact CG-CE3 4.04Å; K896-W934 HydrophobicContact CG-CZ3 4.22Å; K896-W934 PolarHBondContact N-O 3.01Å
897	R	85.2	Confident	76.8	Confident	120 Å²	120	69.2 Å²	69.2	45%	0.453	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-46.4	175.7	-174.3	-173.4	-55.9	-77.7	0.3	112.3	T895 L900 K901 W934 D935	T895-R897 PolarHBondContact O-N 3.39Å; T895-R897 PolarHBondContact OG1-N 3.13Å; R897-L900 PolarHBondContact O-N 3.17Å; R897-K901 WeakPolarHBondContact O-CB 3.29Å; R897-K901 PolarHBondContact O-N 2.86Å; R897-W934 HydrophobicContact CB-CE3 4.34Å; R897-W934 WeakPolarHBondContact CB-O 3.44Å; R897-W934 PolarHBondContact N-O 3Å; R897-D935 IonicContact CZ-OD1 3.05Å; R897-D935 IonicContact CZ-OD2 2.99Å; R897-D935 IonicContact NE-OD1 2.62Å; R897-D935 PolarHBondContact NE-OD1 3.15Å; R897-D935 IonicContact NE-OD2 2.69Å; R897-D935 IonicContact NH2-OD1 2.55Å; R897-D935 IonicContact NH2-OD2 2.81Å; R897-D935 PolarHBondContact NH2-OD2 3.29Å
898	I	84.3	Confident	77.7	Confident	38 Å²	38	67.2 Å²	67.2	20%	0.195	33%	0.329	C	S	.	.	H	α-helix	trans	-62.6	-47	179.8	-67.8	169	0	0	0	109.9	I893 T895 L900 K901 T902	I893-I898 WeakPolarHBondContact O-CD1 3.39Å; T895-I898 HydrophobicContact CG2-CD1 4.33Å; T895-I898 PolarHBondContact O-N 3.34Å; T895-I898 VanDerWaalsContact O-N 3.11Å; T895-I898 WeakPolarHBondContact OG1-CG1 3.13Å; T895-I898 PolarHBondContact OG1-N 2.73Å; I898-L900 PolarHBondContact O-N 3.05Å; I898-K901 WeakPolarHBondContact O-CB 3.35Å; I898-K901 PolarHBondContact O-N 2.82Å; I898-T902 PolarHBondContact O-N 3.09Å; I898-T902 PolarHBondContact O-OG1 3.3Å
899	V	82.9	Confident	78.6	Confident	8 Å²	8	62 Å²	62	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-44.9	179.2	176.4	0	0	0	0	111.6	T895 K901 T902 L903 L924 M927 L938	T895-V899 PolarHBondContact O-N 3.47Å; V899-K901 PolarHBondContact O-N 3.31Å; V899-T902 PolarHBondContact O-N 2.82Å; V899-L903 HydrophobicContact CG1-CD1 4.07Å; V899-L903 WeakPolarHBondContact O-CB 3.43Å; V899-L903 WeakPolarHBondContact O-CG 3.48Å; V899-L903 PolarHBondContact O-N 3.27Å; V899-L924 HydrophobicContact CG1-CD1 4.32Å; V899-M927 HydrophobicContact CB-CE 3.65Å; V899-M927 HydrophobicContact CG1-CE 3.54Å; V899-M927 HydrophobicContact CG2-CE 3.77Å; V899-L938 HydrophobicContact CG2-CD1 3.83Å
900	L	84.7	Confident	79.6	Confident	29 Å²	29	55.3 Å²	55.3	15%	0.152	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-42.7	175.9	177.4	62.6	0	0	0	112.1	L566 I569 K896 R897 I898 L903 S904 L924 W934	L566-L900 HydrophobicContact CD2-CD1 4.1Å; L566-L900 HydrophobicContact CD2-CD2 4.05Å; I569-L900 HydrophobicContact CD1-CD1 3.99Å; K896-L900 WeakPolarHBondContact O-CB 3.34Å; K896-L900 PolarHBondContact O-N 3.33Å; R897-L900 PolarHBondContact O-N 3.17Å; I898-L900 PolarHBondContact O-N 3.05Å; L900-L903 PolarHBondContact O-N 3.49Å; L900-S904 WeakPolarHBondContact O-CB 3.22Å; L900-S904 PolarHBondContact O-N 3.41Å; L900-S904 PolarHBondContact O-OG 3.38Å; L900-L924 HydrophobicContact CB-CD1 4.2Å; L900-L924 HydrophobicContact CB-CD2 4.48Å; L900-L924 HydrophobicContact CD1-CD2 3.81Å; L900-W934 HydrophobicContact CD2-CH2 3.91Å; L900-W934 HydrophobicContact CD2-CZ3 3.67Å
901	K	84.2	Confident	80.6	Confident	133 Å²	133	53.4 Å²	53.4	58%	0.578	28%	0.28	S	S	*	.	H	α-helix	trans	-59.5	-51.4	177.5	-179.6	-172.2	170.9	-166.1	0	110.5	R897 I898 V899 L903 S904 E905	R897-K901 WeakPolarHBondContact O-CB 3.29Å; R897-K901 PolarHBondContact O-N 2.86Å; I898-K901 WeakPolarHBondContact O-CB 3.35Å; I898-K901 PolarHBondContact O-N 2.82Å; V899-K901 PolarHBondContact O-N 3.31Å; K901-L903 VanDerWaalsContact C-N 3.35Å; K901-L903 PolarHBondContact O-N 2.94Å; K901-S904 PolarHBondContact O-N 2.79Å; K901-E905 VanDerWaalsContact CE-OE1 3.25Å; K901-E905 WeakPolarHBondContact CE-OE1 3.24Å; K901-E905 WeakPolarHBondContact O-CG 2.92Å; K901-E905 PolarHBondContact O-N 3.32Å; K901-E905 VanDerWaalsContact O-N 3.11Å
902	T	81.8	Confident	81.6	Confident	15 Å²	15	51.7 Å²	51.7	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-43.3	-179.7	-48.9	0	0	0	0	111.6	W888 I898 V899 S904 E905	W888-T902 HydrophobicContact CD2-CG2 4.05Å; W888-T902 HydrophobicContact CE3-CG2 3.29Å; W888-T902 HydrophobicContact CH2-CG2 4.42Å; W888-T902 HydrophobicContact CZ3-CG2 3.5Å; I898-T902 PolarHBondContact O-N 3.09Å; I898-T902 PolarHBondContact O-OG1 3.3Å; V899-T902 PolarHBondContact O-N 2.82Å; T902-S904 VanDerWaalsContact C-N 3.27Å; T902-S904 PolarHBondContact O-N 3.05Å; T902-E905 PolarHBondContact O-N 3.36Å
903	L	81.7	Confident	82.7	Confident	19 Å²	19	48.5 Å²	48.5	10%	0.099	25%	0.248	C	C	.	.	H	α-helix	trans	-58.5	-38.9	173.7	-82.8	171.7	0	0	0	112.7	V899 L900 K901 E905 V906 L917 A920 K921 L924	V899-L903 HydrophobicContact CG1-CD1 4.07Å; V899-L903 WeakPolarHBondContact O-CB 3.43Å; V899-L903 WeakPolarHBondContact O-CG 3.48Å; V899-L903 PolarHBondContact O-N 3.27Å; L900-L903 PolarHBondContact O-N 3.49Å; K901-L903 VanDerWaalsContact C-N 3.35Å; K901-L903 PolarHBondContact O-N 2.94Å; L903-E905 VanDerWaalsContact C-N 3.33Å; L903-V906 PolarHBondContact O-N 3.12Å; L903-L917 HydrophobicContact CD2-CD2 4.2Å; L903-A920 HydrophobicContact CD1-CB 4.1Å; L903-A920 HydrophobicContact CD2-CB 3.3Å; L903-A920 HydrophobicContact CG-CB 3.98Å; L903-K921 HydrophobicContact CD1-CG 4.44Å; L903-L924 HydrophobicContact CD1-CB 4.34Å; L903-L924 HydrophobicContact CD1-CD2 4.2Å
904	S	80.8	Confident	83.6	Confident	77 Å²	77	45.5 Å²	45.5	54%	0.538	24%	0.238	S	C	.	.	H	α-helix	trans	-77.9	-15.2	-177.3	-54	0	0	0	0	113.6	L900 K901 T902 V906	L900-S904 WeakPolarHBondContact O-CB 3.22Å; L900-S904 PolarHBondContact O-N 3.41Å; L900-S904 PolarHBondContact O-OG 3.38Å; K901-S904 PolarHBondContact O-N 2.79Å; T902-S904 VanDerWaalsContact C-N 3.27Å; T902-S904 PolarHBondContact O-N 3.05Å; S904-V906 VanDerWaalsContact C-N 3.3Å
905	E	82	Confident	83.9	Confident	99 Å²	99	49.9 Å²	49.9	46%	0.463	27%	0.267	S	S	.	.	H	α-helix	trans	-76	-19.8	174.9	-74.3	175.9	-173.7	0	0	112.5	V886 K901 T902 L903 F907	V886-E905 HydrophobicContact CG1-CB 4.18Å; K901-E905 VanDerWaalsContact CE-OE1 3.25Å; K901-E905 WeakPolarHBondContact CE-OE1 3.24Å; K901-E905 WeakPolarHBondContact O-CG 2.92Å; K901-E905 PolarHBondContact O-N 3.32Å; K901-E905 VanDerWaalsContact O-N 3.11Å; T902-E905 PolarHBondContact O-N 3.36Å; L903-E905 VanDerWaalsContact C-N 3.33Å; E905-F907 PolarHBondContact O-N 2.9Å
906	V	82	Confident	83.8	Confident	22 Å²	22	56.3 Å²	56.3	13%	0.133	29%	0.294	C	S	.	.			trans	-79	117.1	180	-174	0	0	0	0	110.2	V886 W888 L903 S904 D908 I913 L917	V886-V906 HydrophobicContact CG1-CG2 4.4Å; V886-V906 HydrophobicContact CG2-CG2 4.12Å; W888-V906 HydrophobicContact CH2-CG2 3.45Å; W888-V906 VanDerWaalsContact CH2-CG2 3.45Å; W888-V906 HydrophobicContact CZ2-CG2 3.21Å; L903-V906 PolarHBondContact O-N 3.12Å; S904-V906 VanDerWaalsContact C-N 3.3Å; V906-D908 HydrophobicContact CG1-CB 4.28Å; V906-I913 HydrophobicContact CG1-CD1 3.8Å; V906-L917 HydrophobicContact CB-CD2 4.2Å; V906-L917 HydrophobicContact CG1-CD1 4.02Å; V906-L917 HydrophobicContact CG1-CD2 4.06Å; V906-L917 HydrophobicContact CG2-CD2 4.04Å
907	F	84.4	Confident	83.6	Confident	97 Å²	97	57.1 Å²	57.1	43%	0.425	30%	0.298	S	S	.	.			trans	-105.3	97.3	172.5	-173.7	-107.9	0	0	0	110	L716 L883 E905 P909	L716-F907 HydrophobicContact CD2-CE1 4.27Å; L716-F907 HydrophobicContact CD2-CZ 3.6Å; L883-F907 WeakPolarHBondContact CD2-O 3.44Å; E905-F907 PolarHBondContact O-N 2.9Å; F907-P909 HydrophobicContact CD1-CG 4.22Å; F907-P909 HydrophobicContact CE1-CB 4.24Å; F907-P909 HydrophobicContact CE1-CG 3.75Å; F907-P909 HydrophobicContact CZ-CB 4.19Å; F907-P909 HydrophobicContact CZ-CG 4.21Å; F907-P909 WeakPolarHBondContact O-CD 3.4Å
908	D	84.9	Confident	83.5	Confident	23 Å²	23	54.7 Å²	54.7	12%	0.123	30%	0.297	C	S	.	.			trans	-120.2	74	-179.2	-177.7	18.7	0	0	0	111.1	L883 V906 L910 G911 L912 I913 L917	L883-D908 HydrophobicContact CD1-CB 4.46Å; L883-D908 HydrophobicContact CD2-CB 3.9Å; V906-D908 HydrophobicContact CG1-CB 4.28Å; D908-L910 PolarHBondContact O-N 3.31Å; D908-G911 PolarHBondContact O-N 2.82Å; D908-G911 VanDerWaalsContact O-N 3.14Å; D908-G911 PolarHBondContact OD1-N 2.96Å; D908-G911 VanDerWaalsContact OD1-N 3.12Å; D908-G911 WeakPolarHBondContact OD2-CA 3.48Å; D908-L912 VanDerWaalsContact CG-N 3.26Å; D908-L912 PolarHBondContact OD1-N 3.17Å; D908-L912 PolarHBondContact OD2-N 3.42Å; D908-I913 HydrophobicContact CB-CG1 4.23Å; D908-I913 VanDerWaalsContact OD2-CG1 3.26Å; D908-I913 WeakPolarHBondContact OD2-CG1 3.29Å; D908-I913 PolarHBondContact OD2-N 3.37Å; D908-L917 HydrophobicContact CB-CD1 4.37Å
909	P	83.9	Confident	83.5	Confident	18 Å²	18	59.5 Å²	59.5	12%	0.117	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.5	-174.5	26.2	-36	0	0	0	113.5	L716 V717 L720 L872 F907	L716-P909 HydrophobicContact CD2-CB 3.91Å; V717-P909 VanDerWaalsContact CG2-O 3.3Å; V717-P909 WeakPolarHBondContact CG2-O 3.4Å; L720-P909 HydrophobicContact CD1-CB 4.02Å; L720-P909 HydrophobicContact CD1-CG 3.63Å; L872-P909 HydrophobicContact CD1-CG 4.34Å; L872-P909 HydrophobicContact CD2-CG 4.17Å; L872-P909 HydrophobicContact CG-CG 4.26Å; F907-P909 HydrophobicContact CD1-CG 4.22Å; F907-P909 HydrophobicContact CE1-CB 4.24Å; F907-P909 HydrophobicContact CE1-CG 3.75Å; F907-P909 HydrophobicContact CZ-CB 4.19Å; F907-P909 HydrophobicContact CZ-CG 4.21Å; F907-P909 WeakPolarHBondContact O-CD 3.4Å
910	L	85.4	Confident	83.4	Confident	37 Å²	37	60.2 Å²	60.2	19%	0.194	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-4.1	179.9	-69.1	176.9	0	0	0	113	V717 L720 L721 L872 L881 D908 L912	V717-L910 HydrophobicContact CG1-CD2 4.13Å; L720-L910 HydrophobicContact CB-CD1 4.32Å; L720-L910 HydrophobicContact CB-CD2 3.86Å; L720-L910 HydrophobicContact CB-CG 4.3Å; L720-L910 HydrophobicContact CD1-CD1 4.44Å; L720-L910 HydrophobicContact CD1-CD2 4.23Å; L720-L910 HydrophobicContact CD1-CG 4.02Å; L721-L910 HydrophobicContact CD2-CD2 4.31Å; L721-L910 HydrophobicContact CG-CD2 4.42Å; L872-L910 HydrophobicContact CD1-CD1 4.32Å; L881-L910 HydrophobicContact CD1-CD1 4.47Å; D908-L910 PolarHBondContact O-N 3.31Å; L910-L912 VanDerWaalsContact C-N 3.28Å; L910-L912 HydrophobicContact CB-CD1 4.43Å; L910-L912 HydrophobicContact CB-CD2 3.97Å; L910-L912 HydrophobicContact CB-CG 3.83Å; L910-L912 HydrophobicContact CD1-CD1 4.47Å; L910-L912 PolarHBondContact O-N 2.99Å
911	G	84.8	Confident	83.3	Confident	25 Å²	25	61.1 Å²	61.1	26%	0.258	33%	0.328	S	S	.	.			trans	66.2	25.3	-176.8	0	0	0	0	0	114.3	D908 I913 A914	D908-G911 PolarHBondContact O-N 2.82Å; D908-G911 VanDerWaalsContact O-N 3.14Å; D908-G911 PolarHBondContact OD1-N 2.96Å; D908-G911 VanDerWaalsContact OD1-N 3.12Å; D908-G911 WeakPolarHBondContact OD2-CA 3.48Å; G911-I913 PolarHBondContact O-N 3.46Å; G911-A914 VanDerWaalsContact O-CB 3.3Å; G911-A914 WeakPolarHBondContact O-CB 3.49Å; G911-A914 PolarHBondContact O-N 3.22Å
912	L	83.9	Confident	83.3	Confident	97 Å²	97	60.4 Å²	60.4	51%	0.508	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.5	-175.8	-59.6	177.6	0	0	0	113.3	D908 L910	D908-L912 VanDerWaalsContact CG-N 3.26Å; D908-L912 PolarHBondContact OD1-N 3.17Å; D908-L912 PolarHBondContact OD2-N 3.42Å; L910-L912 VanDerWaalsContact C-N 3.28Å; L910-L912 HydrophobicContact CB-CD1 4.43Å; L910-L912 HydrophobicContact CB-CD2 3.97Å; L910-L912 HydrophobicContact CB-CG 3.83Å; L910-L912 HydrophobicContact CD1-CD1 4.47Å; L910-L912 PolarHBondContact O-N 2.99Å
913	I	86.2	Confident	83.4	Confident	44 Å²	44	60.7 Å²	60.7	23%	0.226	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	16.8	178.7	64.8	164.8	0	0	0	112.2	L883 V906 D908 G911 P915 F916 L917	L883-I913 HydrophobicContact CD1-CB 4.2Å; L883-I913 HydrophobicContact CD1-CD1 3.43Å; L883-I913 VanDerWaalsContact CD1-CD1 3.43Å; L883-I913 HydrophobicContact CD1-CG1 3.51Å; L883-I913 HydrophobicContact CD1-CG2 3.67Å; V906-I913 HydrophobicContact CG1-CD1 3.8Å; D908-I913 HydrophobicContact CB-CG1 4.23Å; D908-I913 VanDerWaalsContact OD2-CG1 3.26Å; D908-I913 WeakPolarHBondContact OD2-CG1 3.29Å; D908-I913 PolarHBondContact OD2-N 3.37Å; G911-I913 PolarHBondContact O-N 3.46Å; I913-P915 VanDerWaalsContact C-N 3.26Å; I913-F916 HydrophobicContact CB-CD2 3.93Å; I913-F916 HydrophobicContact CG2-CD2 4.32Å; I913-F916 WeakPolarHBondContact O-CB 3.45Å; I913-F916 PolarHBondContact O-N 3.4Å; I913-L917 HydrophobicContact CD1-CD1 4.37Å; I913-L917 HydrophobicContact CD1-CD2 4.28Å; I913-L917 HydrophobicContact CD1-CG 4.23Å; I913-L917 HydrophobicContact CG1-CD1 4.09Å; I913-L917 HydrophobicContact CG1-CG 4.13Å; I913-L917 PolarHBondContact O-N 2.92Å; I913-L917 VanDerWaalsContact O-N 3.11Å
914	A	84.3	Confident	83.5	Confident	36 Å²	36	60 Å²	60	30%	0.298	33%	0.325	S	S	.	.	H	α-helix	trans	-48.8	-41.2	177.6	0	0	0	0	0	113.3	G911 F916 L917 V918	G911-A914 VanDerWaalsContact O-CB 3.3Å; G911-A914 WeakPolarHBondContact O-CB 3.49Å; G911-A914 PolarHBondContact O-N 3.22Å; A914-F916 VanDerWaalsContact C-N 3.27Å; A914-F916 PolarHBondContact O-N 2.98Å; A914-L917 PolarHBondContact O-N 3.23Å; A914-L917 VanDerWaalsContact O-N 3.11Å; A914-V918 WeakPolarHBondContact O-CG2 3.32Å; A914-V918 PolarHBondContact O-N 3.16Å
915	P	83.7	Confident	83.6	Confident	92 Å²	92	59.7 Å²	59.7	60%	0.597	32%	0.315	S	S	*	.	H	α-helix	trans	-55.6	-38.2	176	-27.5	36.6	0	0	0	114	I913	I913-P915 VanDerWaalsContact C-N 3.26Å
916	F	83	Confident	83.7	Confident	148 Å²	148	57.9 Å²	57.9	65%	0.649	31%	0.308	S	S	*	.	H	α-helix	trans	-76	-37.1	177.5	-56.5	-81.4	0	0	0	111.9	I913 A914 V918 E919	I913-F916 HydrophobicContact CB-CD2 3.93Å; I913-F916 HydrophobicContact CG2-CD2 4.32Å; I913-F916 WeakPolarHBondContact O-CB 3.45Å; I913-F916 PolarHBondContact O-N 3.4Å; A914-F916 VanDerWaalsContact C-N 3.27Å; A914-F916 PolarHBondContact O-N 2.98Å; F916-V918 VanDerWaalsContact C-N 3.32Å; F916-V918 PolarHBondContact O-N 3.27Å; F916-E919 PolarHBondContact O-N 3.4Å
917	L	82.5	Confident	83.8	Confident	22 Å²	22	56.8 Å²	56.8	12%	0.115	30%	0.302	C	S	.	.	H	α-helix	trans	-68	-32.1	177.8	-64.3	178.6	0	0	0	112.4	W888 L903 V906 D908 I913 A914 E919 A920 K921	W888-L917 HydrophobicContact CH2-CD2 4.04Å; W888-L917 HydrophobicContact CZ2-CD2 4.32Å; L903-L917 HydrophobicContact CD2-CD2 4.2Å; V906-L917 HydrophobicContact CB-CD2 4.2Å; V906-L917 HydrophobicContact CG1-CD1 4.02Å; V906-L917 HydrophobicContact CG1-CD2 4.06Å; V906-L917 HydrophobicContact CG2-CD2 4.04Å; D908-L917 HydrophobicContact CB-CD1 4.37Å; I913-L917 HydrophobicContact CD1-CD1 4.37Å; I913-L917 HydrophobicContact CD1-CD2 4.28Å; I913-L917 HydrophobicContact CD1-CG 4.23Å; I913-L917 HydrophobicContact CG1-CD1 4.09Å; I913-L917 HydrophobicContact CG1-CG 4.13Å; I913-L917 PolarHBondContact O-N 2.92Å; I913-L917 VanDerWaalsContact O-N 3.11Å; A914-L917 PolarHBondContact O-N 3.23Å; A914-L917 VanDerWaalsContact O-N 3.11Å; L917-E919 VanDerWaalsContact C-N 3.32Å; L917-E919 PolarHBondContact O-N 2.91Å; L917-A920 PolarHBondContact O-N 3.43Å; L917-K921 WeakPolarHBondContact O-CG 3.4Å; L917-K921 PolarHBondContact O-N 3.42Å
918	V	82.7	Confident	83.6	Confident	69 Å²	69	55.1 Å²	55.1	42%	0.418	29%	0.293	S	S	.	.	H	α-helix	trans	-60	-42.4	176.3	169	0	0	0	0	111	A914 F916 A920 K921 M922	A914-V918 WeakPolarHBondContact O-CG2 3.32Å; A914-V918 PolarHBondContact O-N 3.16Å; F916-V918 VanDerWaalsContact C-N 3.32Å; F916-V918 PolarHBondContact O-N 3.27Å; V918-A920 PolarHBondContact O-N 3.42Å; V918-K921 CarbonylContact O-C 3.48Å; V918-K921 PolarHBondContact O-N 3.32Å; V918-M922 HydrophobicContact CG1-CG 4.22Å; V918-M922 HydrophobicContact CG1-SD 3.96Å; V918-M922 VanDerWaalsContact O-CG 3.28Å; V918-M922 WeakPolarHBondContact O-CG 3.41Å; V918-M922 PolarHBondContact O-N 3.34Å
919	E	82.9	Confident	83.3	Confident	139 Å²	139	61.5 Å²	61.5	65%	0.65	32%	0.319	S	S	*	.	H	α-helix	trans	-60.1	-45.4	178.3	-64.1	-173	164.8	0	0	111.8	F916 L917 K921 M922 L923	F916-E919 PolarHBondContact O-N 3.4Å; L917-E919 VanDerWaalsContact C-N 3.32Å; L917-E919 PolarHBondContact O-N 2.91Å; E919-K921 PolarHBondContact O-N 3Å; E919-M922 WeakPolarHBondContact O-CB 3.49Å; E919-M922 PolarHBondContact O-N 2.85Å; E919-L923 PolarHBondContact O-N 3.1Å
920	A	80.8	Confident	83.2	Confident	24 Å²	24	65.4 Å²	65.4	20%	0.198	34%	0.338	C	S	.	.	H	α-helix	trans	-67.2	-35.2	176.6	0	0	0	0	0	112.3	L903 L917 V918 L923 L924	L903-A920 HydrophobicContact CD1-CB 4.1Å; L903-A920 HydrophobicContact CD2-CB 3.3Å; L903-A920 HydrophobicContact CG-CB 3.98Å; L917-A920 PolarHBondContact O-N 3.43Å; V918-A920 PolarHBondContact O-N 3.42Å; A920-L923 WeakPolarHBondContact O-CB 3.43Å; A920-L923 PolarHBondContact O-N 2.95Å; A920-L924 PolarHBondContact O-N 2.86Å
921	K	83.2	Confident	82.9	Confident	47 Å²	47	66.7 Å²	66.7	20%	0.204	36%	0.359	C	S	.	.	H	α-helix	trans	-66.4	-37.1	171.5	-72	177.6	-175.5	-170.6	0	112	D573 L903 L917 V918 E919 L924 Q925	D573-K921 IonicContact OD1-NZ 3.06Å; D573-K921 PolarHBondContact OD1-NZ 2.92Å; D573-K921 IonicContact OD2-NZ 3.19Å; D573-K921 PolarHBondContact OD2-NZ 2.75Å; L903-K921 HydrophobicContact CD1-CG 4.44Å; L917-K921 WeakPolarHBondContact O-CG 3.4Å; L917-K921 PolarHBondContact O-N 3.42Å; V918-K921 CarbonylContact O-C 3.48Å; V918-K921 PolarHBondContact O-N 3.32Å; E919-K921 PolarHBondContact O-N 3Å; K921-L924 WeakPolarHBondContact O-CB 3.42Å; K921-L924 PolarHBondContact O-N 3.4Å; K921-Q925 WeakPolarHBondContact O-CB 3.43Å; K921-Q925 PolarHBondContact O-N 2.88Å
922	M	84.6	Confident	82.6	Confident	119 Å²	119	66.6 Å²	66.6	59%	0.586	35%	0.352	S	S	*	.	H	α-helix	trans	-65.2	-40.7	173.1	-71.7	173.5	66.7	0	0	111.4	V918 E919 L924 Q925 L926	V918-M922 HydrophobicContact CG1-CG 4.22Å; V918-M922 HydrophobicContact CG1-SD 3.96Å; V918-M922 VanDerWaalsContact O-CG 3.28Å; V918-M922 WeakPolarHBondContact O-CG 3.41Å; V918-M922 PolarHBondContact O-N 3.34Å; E919-M922 WeakPolarHBondContact O-CB 3.49Å; E919-M922 PolarHBondContact O-N 2.85Å; M922-L924 VanDerWaalsContact C-N 3.32Å; M922-L924 PolarHBondContact O-N 3.39Å; M922-Q925 PolarHBondContact O-N 3.3Å; M922-L926 WeakPolarHBondContact O-CB 3.36Å; M922-L926 PolarHBondContact O-N 2.87Å
923	L	83.8	Confident	82.5	Confident	20 Å²	20	67 Å²	67	11%	0.105	36%	0.355	C	S	.	.	H	α-helix	trans	-59.4	-45.8	172.7	-180	64.6	0	0	0	110.7	E919 A920 Q925 L926 M927 L942 K945	E919-L923 PolarHBondContact O-N 3.1Å; A920-L923 WeakPolarHBondContact O-CB 3.43Å; A920-L923 PolarHBondContact O-N 2.95Å; L923-Q925 PolarHBondContact O-N 3.1Å; L923-L926 WeakPolarHBondContact O-CB 3.5Å; L923-L926 PolarHBondContact O-N 2.77Å; L923-M927 HydrophobicContact CD2-CE 4.22Å; L923-M927 HydrophobicContact CG-CE 3.75Å; L923-M927 WeakPolarHBondContact O-CG 3.45Å; L923-M927 PolarHBondContact O-N 3.48Å; L923-L942 HydrophobicContact CD1-CD2 3.88Å; L923-K945 HydrophobicContact CD1-CB 4.26Å
924	L	84.6	Confident	82.4	Confident	4 Å²	4	68 Å²	68	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-59.3	-47.1	175.7	-167.2	68.8	0	0	0	111.9	K896 V899 L900 L903 A920 K921 M922 L926 M927 W928	K896-L924 HydrophobicContact CG-CD1 4.06Å; V899-L924 HydrophobicContact CG1-CD1 4.32Å; L900-L924 HydrophobicContact CB-CD1 4.2Å; L900-L924 HydrophobicContact CB-CD2 4.48Å; L900-L924 HydrophobicContact CD1-CD2 3.81Å; L903-L924 HydrophobicContact CD1-CB 4.34Å; L903-L924 HydrophobicContact CD1-CD2 4.2Å; A920-L924 PolarHBondContact O-N 2.86Å; K921-L924 WeakPolarHBondContact O-CB 3.42Å; K921-L924 PolarHBondContact O-N 3.4Å; M922-L924 VanDerWaalsContact C-N 3.32Å; M922-L924 PolarHBondContact O-N 3.39Å; L924-L926 VanDerWaalsContact C-N 3.3Å; L924-L926 PolarHBondContact O-N 3.33Å; L924-M927 HydrophobicContact CB-CE 4.3Å; L924-M927 HydrophobicContact CD1-CE 3.86Å; L924-M927 PolarHBondContact O-N 2.93Å; L924-W928 HydrophobicContact CD1-CE3 4.13Å; L924-W928 HydrophobicContact CD1-CZ3 3.53Å; L924-W928 HydrophobicContact CD2-CZ3 3.87Å; L924-W928 HydrophobicContact CG-CE3 3.81Å; L924-W928 HydrophobicContact CG-CZ3 3.46Å; L924-W928 VanDerWaalsContact CG-CZ3 3.46Å; L924-W928 PolarHBondContact O-N 3.02Å; L924-W928 VanDerWaalsContact O-N 3.1Å
925	Q	82.6	Confident	82.4	Confident	72 Å²	72	70.6 Å²	70.6	34%	0.336	36%	0.364	S	S	.	.	H	α-helix	trans	-58.8	-41.7	174.3	-175.5	-171.5	87.8	0	0	111.8	W570 K921 M922 L923 W928 K929	W570-Q925 HydrophobicContact CH2-CB 4Å; W570-Q925 HydrophobicContact CH2-CG 3.79Å; W570-Q925 HydrophobicContact CZ2-CB 4.37Å; W570-Q925 HydrophobicContact CZ3-CG 4.28Å; K921-Q925 WeakPolarHBondContact O-CB 3.43Å; K921-Q925 PolarHBondContact O-N 2.88Å; M922-Q925 PolarHBondContact O-N 3.3Å; L923-Q925 PolarHBondContact O-N 3.1Å; Q925-W928 WeakPolarHBondContact O-CB 3.22Å; Q925-W928 PolarHBondContact O-N 3.25Å; Q925-W928 VanDerWaalsContact O-N 3.17Å; Q925-K929 HydrophobicContact CG-CD 4.32Å; Q925-K929 PolarHBondContact O-N 3.27Å
926	L	84.1	Confident	82.4	Confident	60 Å²	60	69.8 Å²	69.8	31%	0.314	35%	0.353	S	S	.	.	H	α-helix	trans	-63.1	-45.4	178.1	-178	63.3	0	0	0	111.3	M922 L923 L924 W928 K929 M930 L942	M922-L926 WeakPolarHBondContact O-CB 3.36Å; M922-L926 PolarHBondContact O-N 2.87Å; L923-L926 WeakPolarHBondContact O-CB 3.5Å; L923-L926 PolarHBondContact O-N 2.77Å; L924-L926 VanDerWaalsContact C-N 3.3Å; L924-L926 PolarHBondContact O-N 3.33Å; L926-W928 PolarHBondContact O-N 3.42Å; L926-K929 PolarHBondContact O-N 3.22Å; L926-M930 HydrophobicContact CD1-CG 4.48Å; L926-M930 HydrophobicContact CD1-SD 4.36Å; L926-M930 HydrophobicContact CG-SD 4.08Å; L926-M930 WeakPolarHBondContact O-CB 3.3Å; L926-M930 VanDerWaalsContact O-CG 3.28Å; L926-M930 WeakPolarHBondContact O-CG 3.34Å; L926-M930 PolarHBondContact O-N 3.44Å; L926-L942 HydrophobicContact CD2-CD2 3.5Å; L926-L942 HydrophobicContact CG-CD2 4.02Å
927	M	83.7	Confident	82.5	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58	-34.5	173.6	-66.8	180	-109.4	0	0	112.2	K896 V899 L923 L924 G931 K932 L938	K896-M927 HydrophobicContact CB-SD 3.84Å; K896-M927 HydrophobicContact CG-SD 4.22Å; K896-M927 PolarHBondContact NZ-O 2.94Å; V899-M927 HydrophobicContact CB-CE 3.65Å; V899-M927 HydrophobicContact CG1-CE 3.54Å; V899-M927 HydrophobicContact CG2-CE 3.77Å; L923-M927 HydrophobicContact CD2-CE 4.22Å; L923-M927 HydrophobicContact CG-CE 3.75Å; L923-M927 WeakPolarHBondContact O-CG 3.45Å; L923-M927 PolarHBondContact O-N 3.48Å; L924-M927 HydrophobicContact CB-CE 4.3Å; L924-M927 HydrophobicContact CD1-CE 3.86Å; L924-M927 PolarHBondContact O-N 2.93Å; M927-G931 PolarHBondContact O-N 3.45Å; M927-K932 HydrophobicContact CB-CB 4.35Å; M927-K932 WeakPolarHBondContact O-CB 3.4Å; M927-K932 PolarHBondContact O-N 3.48Å; M927-K932 VanDerWaalsContact O-N 3.12Å; M927-L938 HydrophobicContact CE-CD1 4.39Å; M927-L938 HydrophobicContact CG-CD2 3.84Å; M927-L938 HydrophobicContact SD-CD1 4.1Å; M927-L938 HydrophobicContact SD-CD2 3.48Å; M927-L938 WeakPolarHBondContact SD-CD2 3.46Å; M927-L938 HydrophobicContact SD-CG 4.38Å
928	W	79.8	Confident	82.3	Confident	62 Å²	62	65.6 Å²	65.6	24%	0.235	34%	0.341	C	S	.	.	H	α-helix	trans	-68.3	-48.4	173.3	-109.1	-78.5	0	0	0	113.2	L566 K896 L924 Q925 L926 M930 G931 W934	L566-W928 HydrophobicContact CD1-CH2 3.25Å; L566-W928 HydrophobicContact CD1-CZ2 3.06Å; L566-W928 HydrophobicContact CD1-CZ3 4.18Å; L566-W928 HydrophobicContact CD2-CH2 3.53Å; L566-W928 HydrophobicContact CD2-CZ2 4.24Å; L566-W928 HydrophobicContact CD2-CZ3 3.86Å; L566-W928 HydrophobicContact CG-CH2 4.03Å; L566-W928 HydrophobicContact CG-CZ2 4.26Å; K896-W928 HydrophobicContact CD-CD2 4.18Å; K896-W928 HydrophobicContact CD-CE3 4.01Å; K896-W928 HydrophobicContact CD-CH2 3.7Å; K896-W928 HydrophobicContact CD-CZ2 3.87Å; K896-W928 HydrophobicContact CD-CZ3 3.8Å; K896-W928 HydrophobicContact CG-CH2 4.12Å; K896-W928 HydrophobicContact CG-CZ3 4.03Å; L924-W928 HydrophobicContact CD1-CE3 4.13Å; L924-W928 HydrophobicContact CD1-CZ3 3.53Å; L924-W928 HydrophobicContact CD2-CZ3 3.87Å; L924-W928 HydrophobicContact CG-CE3 3.81Å; L924-W928 HydrophobicContact CG-CZ3 3.46Å; L924-W928 VanDerWaalsContact CG-CZ3 3.46Å; L924-W928 PolarHBondContact O-N 3.02Å; L924-W928 VanDerWaalsContact O-N 3.1Å; Q925-W928 WeakPolarHBondContact O-CB 3.22Å; Q925-W928 PolarHBondContact O-N 3.25Å; Q925-W928 VanDerWaalsContact O-N 3.17Å; L926-W928 PolarHBondContact O-N 3.42Å; W928-M930 PolarHBondContact O-N 2.94Å; W928-G931 PolarHBondContact O-N 3.3Å; W928-W934 AromaticContact CH2-CH2 3.39Å; W928-W934 HydrophobicContact CH2-CH2 3.39Å; W928-W934 HydrophobicContact CH2-CZ2 4.05Å; W928-W934 AromaticContact CH2-CZ3 3.69Å; W928-W934 HydrophobicContact CH2-CZ3 3.69Å; W928-W934 AromaticContact CZ2-CH2 3.56Å; W928-W934 HydrophobicContact CZ2-CH2 3.56Å; W928-W934 AromaticContact CZ2-CZ2 3.71Å; W928-W934 HydrophobicContact CZ2-CZ2 3.71Å; W928-W934 HydrophobicContact CZ2-CZ3 4.16Å
929	K	78.9	Confident	81.9	Confident	156 Å²	156	66 Å²	66	68%	0.678	34%	0.343	S	S	*	.	H	α-helix	trans	-59.2	-30.7	176.8	-74	173.6	171.9	169.8	0	112.1	Q925 L926 G931	Q925-K929 HydrophobicContact CG-CD 4.32Å; Q925-K929 PolarHBondContact O-N 3.27Å; L926-K929 PolarHBondContact O-N 3.22Å; K929-G931 VanDerWaalsContact C-N 3.31Å
930	M	81.2	Confident	81	Confident	101 Å²	101	67.1 Å²	67.1	50%	0.498	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.4	176.5	-69.7	178.2	71	0	0	114.5	L926 W928 K932 L942	L926-M930 HydrophobicContact CD1-CG 4.48Å; L926-M930 HydrophobicContact CD1-SD 4.36Å; L926-M930 HydrophobicContact CG-SD 4.08Å; L926-M930 WeakPolarHBondContact O-CB 3.3Å; L926-M930 VanDerWaalsContact O-CG 3.28Å; L926-M930 WeakPolarHBondContact O-CG 3.34Å; L926-M930 PolarHBondContact O-N 3.44Å; W928-M930 PolarHBondContact O-N 2.94Å; M930-K932 VanDerWaalsContact C-N 3.27Å; M930-K932 HydrophobicContact CB-CG 4.19Å; M930-K932 PolarHBondContact O-N 2.97Å; M930-L942 HydrophobicContact CE-CD1 3.9Å; M930-L942 HydrophobicContact SD-CD1 3.76Å; M930-L942 HydrophobicContact SD-CD2 4.01Å; M930-L942 HydrophobicContact SD-CG 4.27Å
931	G	79.5	Confident	80.3	Confident	63 Å²	63	70.7 Å²	70.7	65%	0.649	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	21.5	-177.7	0	0	0	0	0	114.3	M927 W928 K929 D933	M927-G931 PolarHBondContact O-N 3.45Å; W928-G931 PolarHBondContact O-N 3.3Å; K929-G931 VanDerWaalsContact C-N 3.31Å; G931-D933 PolarHBondContact O-N 2.91Å
932	K	79.3	Confident	79.5	Confident	24 Å²	24	68.8 Å²	68.8	10%	0.104	36%	0.362	C	S	.	.			trans	-62	132.9	177	-70.6	-68.6	-170.4	169.4	0	110.9	K896 M927 M930 E936	K896-K932 PolarHBondContact NZ-O 3.35Å; M927-K932 HydrophobicContact CB-CB 4.35Å; M927-K932 WeakPolarHBondContact O-CB 3.4Å; M927-K932 PolarHBondContact O-N 3.48Å; M927-K932 VanDerWaalsContact O-N 3.12Å; M930-K932 VanDerWaalsContact C-N 3.27Å; M930-K932 HydrophobicContact CB-CG 4.19Å; M930-K932 PolarHBondContact O-N 2.97Å; K932-E936 WeakPolarHBondContact CA-OE2 3.27Å; K932-E936 HydrophobicContact CD-CG 4.2Å; K932-E936 VanDerWaalsContact CD-OE1 3.24Å; K932-E936 WeakPolarHBondContact CD-OE1 3.26Å; K932-E936 WeakPolarHBondContact CD-OE2 3.49Å; K932-E936 WeakPolarHBondContact CE-OE1 3.41Å; K932-E936 IonicContact NZ-OE1 2.79Å; K932-E936 PolarHBondContact NZ-OE1 3.44Å
933	D	80.5	Confident	78.4	Confident	106 Å²	106	66.7 Å²	66.7	57%	0.567	35%	0.35	S	S	*	.			trans	-73.3	165.1	174.1	-148.6	-21.8	0	0	0	111.2	G931 D935 E936	G931-D933 PolarHBondContact O-N 2.91Å; D933-D935 VanDerWaalsContact C-N 3.31Å; D933-D935 PolarHBondContact O-N 3.23Å; D933-E936 HydrophobicContact CB-CB 4.15Å; D933-E936 PolarHBondContact N-OE2 2.76Å; D933-E936 VanDerWaalsContact N-OE2 3.14Å; D933-E936 PolarHBondContact O-N 2.79Å
934	W	84.7	Confident	77.3	Confident	65 Å²	65	69 Å²	69	25%	0.246	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-42.5	-174.2	-76.3	105.4	0	0	0	113.7	A562 L566 T895 K896 R897 L900 W928	A562-W934 HydrophobicContact CB-CZ2 3.87Å; L566-W934 HydrophobicContact CD1-CH2 3.96Å; L566-W934 HydrophobicContact CD1-CZ2 4.25Å; T895-W934 WeakPolarHBondContact CB-O 3.41Å; T895-W934 PolarHBondContact OG1-O 3.14Å; K896-W934 HydrophobicContact CD-CE3 4.13Å; K896-W934 HydrophobicContact CD-CZ3 4.36Å; K896-W934 HydrophobicContact CG-CE3 4.04Å; K896-W934 HydrophobicContact CG-CZ3 4.22Å; K896-W934 PolarHBondContact N-O 3.01Å; R897-W934 HydrophobicContact CB-CE3 4.34Å; R897-W934 WeakPolarHBondContact CB-O 3.44Å; R897-W934 PolarHBondContact N-O 3Å; L900-W934 HydrophobicContact CD2-CH2 3.91Å; L900-W934 HydrophobicContact CD2-CZ3 3.67Å; W928-W934 AromaticContact CH2-CH2 3.39Å; W928-W934 HydrophobicContact CH2-CH2 3.39Å; W928-W934 HydrophobicContact CH2-CZ2 4.05Å; W928-W934 AromaticContact CH2-CZ3 3.69Å; W928-W934 HydrophobicContact CH2-CZ3 3.69Å; W928-W934 AromaticContact CZ2-CH2 3.56Å; W928-W934 HydrophobicContact CZ2-CH2 3.56Å; W928-W934 AromaticContact CZ2-CZ2 3.71Å; W928-W934 HydrophobicContact CZ2-CZ2 3.71Å; W928-W934 HydrophobicContact CZ2-CZ3 4.16Å
935	D	85.5	Confident	76.1	Confident	90 Å²	90	77.1 Å²	77.1	48%	0.481	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	7.9	-173.7	-60	-54.6	0	0	0	111.9	T895 R897 D933 P937	T895-D935 WeakPolarHBondContact CG2-O 3.23Å; R897-D935 IonicContact CZ-OD1 3.05Å; R897-D935 IonicContact CZ-OD2 2.99Å; R897-D935 IonicContact NE-OD1 2.62Å; R897-D935 PolarHBondContact NE-OD1 3.15Å; R897-D935 IonicContact NE-OD2 2.69Å; R897-D935 IonicContact NH2-OD1 2.55Å; R897-D935 IonicContact NH2-OD2 2.81Å; R897-D935 PolarHBondContact NH2-OD2 3.29Å; D933-D935 VanDerWaalsContact C-N 3.31Å; D933-D935 PolarHBondContact O-N 3.23Å; D935-P937 WeakPolarHBondContact O-CD 3.36Å
936	E	83.4	Confident	75.8	Confident	75 Å²	75	77.4 Å²	77.4	35%	0.35	42%	0.417	S	S	.	.			trans	-69.8	124.8	173.7	-167.6	-173.5	159	0	0	110.2	K932 D933	K932-E936 WeakPolarHBondContact CA-OE2 3.27Å; K932-E936 HydrophobicContact CD-CG 4.2Å; K932-E936 VanDerWaalsContact CD-OE1 3.24Å; K932-E936 WeakPolarHBondContact CD-OE1 3.26Å; K932-E936 WeakPolarHBondContact CD-OE2 3.49Å; K932-E936 WeakPolarHBondContact CE-OE1 3.41Å; K932-E936 IonicContact NZ-OE1 2.79Å; K932-E936 PolarHBondContact NZ-OE1 3.44Å; D933-E936 HydrophobicContact CB-CB 4.15Å; D933-E936 PolarHBondContact N-OE2 2.76Å; D933-E936 VanDerWaalsContact N-OE2 3.14Å; D933-E936 PolarHBondContact O-N 2.79Å
937	P	84.4	Confident	75.3	Confident	67 Å²	67	78.3 Å²	78.3	44%	0.435	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-56.6	138.4	176.5	-30.7	38.7	0	0	0	113.9	I893 A894 D935 T939	I893-P937 HydrophobicContact CG2-CB 3.83Å; I893-P937 HydrophobicContact CG2-CG 3.87Å; A894-P937 CarbonylContact O-C 3.55Å; D935-P937 WeakPolarHBondContact O-CD 3.36Å; P937-T939 PolarHBondContact O-N 3.09Å
938	L	79.3	Confident	74.9	Confident	14 Å²	14	82.7 Å²	82.7	7%	0.073	45%	0.446	C	S	.	.			trans	-72.3	111.6	170.8	-62.2	-174	0	0	0	109.9	A894 V899 M927 L942 F943	A894-L938 HydrophobicContact CB-CB 4.39Å; A894-L938 HydrophobicContact CB-CD1 3.82Å; A894-L938 HydrophobicContact CB-CG 4.22Å; A894-L938 WeakPolarHBondContact O-CB 3.04Å; A894-L938 WeakPolarHBondContact O-CG 3.39Å; A894-L938 PolarHBondContact O-N 2.63Å; V899-L938 HydrophobicContact CG2-CD1 3.83Å; M927-L938 HydrophobicContact CE-CD1 4.39Å; M927-L938 HydrophobicContact CG-CD2 3.84Å; M927-L938 HydrophobicContact SD-CD1 4.1Å; M927-L938 HydrophobicContact SD-CD2 3.48Å; M927-L938 WeakPolarHBondContact SD-CD2 3.46Å; M927-L938 HydrophobicContact SD-CG 4.38Å; L938-L942 HydrophobicContact CB-CB 4.43Å; L938-L942 HydrophobicContact CD2-CD1 4.28Å; L938-F943 HydrophobicContact CB-CD2 4.49Å
939	T	74.1	Confident	74.6	Confident	78 Å²	78	83.9 Å²	83.9	48%	0.479	46%	0.458	S	S	.	.			trans	-84.8	147.4	172.5	54.7	0	0	0	0	110.3	P937 L942	P937-T939 PolarHBondContact O-N 3.09Å; T939-L942 WeakPolarHBondContact O-CB 3.43Å; T939-L942 PolarHBondContact O-N 2.65Å
940	Q	63	Low	74.3	Confident	162 Å²	162	79.4 Å²	79.4	76%	0.757	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	140.1	168.6	-76.1	-162.2	-5	0	0	111.1	F943	Q940-F943 HydrophobicContact CG-CB 4.44Å
941	P	65.9	Low	73.8	Confident	100 Å²	100	77.9 Å²	77.9	65%	0.649	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.6	-2.2	11.6	34.1	-35	0	0	0	115.4	F943 G944 K945	P941-F943 PolarHBondContact O-N 3.1Å; P941-G944 PolarHBondContact O-N 2.94Å; P941-K945 PolarHBondContact O-N 3.31Å
942	L	65.8	Low	73.4	Confident	6 Å²	6	79 Å²	79	3%	0.031	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-29.7	-176.7	-68.8	170.1	0	0	0	113.5	L923 L926 M930 L938 T939 G944 K945	L923-L942 HydrophobicContact CD1-CD2 3.88Å; L926-L942 HydrophobicContact CD2-CD2 3.5Å; L926-L942 HydrophobicContact CG-CD2 4.02Å; M930-L942 HydrophobicContact CE-CD1 3.9Å; M930-L942 HydrophobicContact SD-CD1 3.76Å; M930-L942 HydrophobicContact SD-CD2 4.01Å; M930-L942 HydrophobicContact SD-CG 4.27Å; L938-L942 HydrophobicContact CB-CB 4.43Å; L938-L942 HydrophobicContact CD2-CD1 4.28Å; T939-L942 WeakPolarHBondContact O-CB 3.43Å; T939-L942 PolarHBondContact O-N 2.65Å; L942-G944 VanDerWaalsContact C-N 3.3Å; L942-K945 VanDerWaalsContact O-OXT 3.08Å
943	F	63.3	Low	73	Confident	76 Å²	76	83.2 Å²	83.2	33%	0.333	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.9	176.8	-167.6	-90.1	0	0	0	113.1	L890 A894 L938 Q940 P941	L890-F943 HydrophobicContact CD2-CE2 4.5Å; A894-F943 HydrophobicContact CB-CD2 4.03Å; A894-F943 HydrophobicContact CB-CE2 3.9Å; L938-F943 HydrophobicContact CB-CD2 4.49Å; Q940-F943 HydrophobicContact CG-CB 4.44Å; P941-F943 PolarHBondContact O-N 3.1Å
944	G	60.5	Low	72.4	Confident	68 Å²	68	81.3 Å²	81.3	70%	0.701	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-6.9	179.6	0	0	0	0	0	114.2	P941 L942	P941-G944 PolarHBondContact O-N 2.94Å; L942-G944 VanDerWaalsContact C-N 3.3Å
945	K	58.6	Low	71.3	Confident	175 Å²	175	82.8 Å²	82.8	76%	0.761	46%	0.459	S	S	*	.			trans	-93.2	0	165.3	-71.5	-169.8	174.4	-166.8	0	108.1	L923 P941 L942	L923-K945 HydrophobicContact CD1-CB 4.26Å; P941-K945 PolarHBondContact O-N 3.31Å; L942-K945 VanDerWaalsContact O-OXT 3.08Å

Retrieved 945 of 945 residues in 973.7 ms (Link to these results)

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