A0A3Q0KN22_SCHMA Loading...

Eps8-related protein

AlphaFold DB , UniProt , Accession A0A3Q0KN22, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 797 aa.

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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	29.9	Very low	39.3	Very low	242 Å²	242	175.9 Å²	175.9	100%	1.192	81%	0.81	S	S	*	*				0	133.8	0	-68.1	175.9	171.4	0	0	107.6
2	R	33.5	Very low	43	Very low	228 Å²	228	165.4 Å²	165.4	86%	0.86	78%	0.777	S	S	*	*			cis	-121.6	147.5	-4.2	-59.9	175.3	-178.8	162.9	0.8	108
3	N	28.7	Very low	46.3	Very low	162 Å²	162	154.8 Å²	154.8	87%	0.866	73%	0.726	S	S	*	*			trans	-63	138.2	157.9	-66.4	-1.2	0	0	0	107.3
4	R	32.1	Very low	49.2	Very low	218 Å²	218	153.4 Å²	153.4	82%	0.823	72%	0.717	S	S	*	*			trans	-114.5	140.7	158.3	-68.4	-168	-171.9	-170.1	4.8	107.2	F6	R4-F6 PolarHBondContact O-N 3Å
5	D	27.6	Very low	51.7	Low	145 Å²	145	143.5 Å²	143.5	78%	0.775	67%	0.671	S	S	*	*			trans	-74.3	117.4	-169.8	-55.5	-89.4	0	0	0	111.1	N7	D5-N7 PolarHBondContact O-N 3.36Å
6	F	32.6	Very low	53.7	Low	213 Å²	213	135.7 Å²	135.7	93%	0.934	64%	0.635	S	S	*	*			trans	-74	54	176.2	-87	-92.4	0	0	0	111.9	R4	R4-F6 PolarHBondContact O-N 3Å
7	N	29.2	Very low	55.4	Low	136 Å²	136	130.2 Å²	130.2	73%	0.727	61%	0.609	S	S	*	*	S	Bend	trans	-135.8	112.4	-177.2	-90.6	-52.9	0	0	0	111.6	D5	D5-N7 PolarHBondContact O-N 3.36Å
8	K	36.7	Very low	56.6	Low	210 Å²	210	123.4 Å²	123.4	91%	0.913	58%	0.577	S	S	*	*	S	Bend	trans	70.6	49	169.7	-53.6	-178.2	171.7	-174.1	0	117.8
9	E	45.9	Very low	57.7	Low	191 Å²	191	117.6 Å²	117.6	89%	0.893	55%	0.552	S	S	*	*			trans	-116.6	134.3	150.9	-72.2	-174.5	152.4	0	0	109.1
10	E	58.7	Low	58.6	Low	121 Å²	121	114.5 Å²	114.5	57%	0.565	54%	0.544	S	S	*	.			trans	-104.8	109.4	-173.4	-162	172.7	-155.3	0	0	107.6	A12 R54	E10-A12 PolarHBondContact O-N 2.74Å; E10-A12 VanDerWaalsContact O-N 3.09Å; E10-R54 HydrophobicContact CG-CG 3.98Å; E10-R54 IonicContact OE1-CZ 3.6Å; E10-R54 IonicContact OE1-NH1 3.64Å; E10-R54 PolarHBondContact OE1-NH1 3.46Å
11	L	76.9	Confident	59.2	Low	69 Å²	69	110.3 Å²	110.3	36%	0.361	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	108.4	-167	-67.7	174.3	0	0	0	110.3	F13 R54 L55	L11-F13 HydrophobicContact CB-CE2 3.93Å; L11-F13 HydrophobicContact CB-CZ 4.47Å; L11-R54 CarbonylContact O-C 3.58Å; L11-R54 WeakPolarHBondContact O-CA 3.39Å; L11-L55 HydrophobicContact CB-CB 4.35Å; L11-L55 HydrophobicContact CB-CD1 4.35Å; L11-L55 HydrophobicContact CB-CG 4.48Å; L11-L55 PolarHBondContact O-N 2.97Å
12	A	84	Confident	61.1	Low	50 Å²	50	104.1 Å²	104.1	41%	0.413	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.4	-178.3	0	0	0	0	0	111.2	E10 K52 V53 R54	E10-A12 PolarHBondContact O-N 2.74Å; E10-A12 VanDerWaalsContact O-N 3.09Å; A12-K52 HydrophobicContact CB-CG 4.33Å; A12-V53 WeakPolarHBondContact CA-O 3.29Å; A12-R54 HydrophobicContact CB-CB 4.32Å; A12-R54 HydrophobicContact CB-CG 4.32Å
13	F	86.2	Confident	62.8	Low	27 Å²	27	94 Å²	94	12%	0.118	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.2	-175	-60.1	-93.1	0	0	0	110.4	L11 K52 V53 L55 L129 L130	L11-F13 HydrophobicContact CB-CE2 3.93Å; L11-F13 HydrophobicContact CB-CZ 4.47Å; F13-K52 CarbonylContact O-C 3.47Å; F13-K52 VanDerWaalsContact O-CA 3.31Å; F13-K52 WeakPolarHBondContact O-CA 3.39Å; F13-V53 PolarHBondContact N-O 3.41Å; F13-V53 PolarHBondContact O-N 2.95Å; F13-L55 HydrophobicContact CD2-CD1 4.46Å; F13-L55 HydrophobicContact CE2-CD1 3.81Å; F13-L55 HydrophobicContact CE2-CG 4.28Å; F13-L129 HydrophobicContact CE1-CB 3.86Å; F13-L130 HydrophobicContact CB-CD1 4.41Å; F13-L130 HydrophobicContact CB-CD2 4.16Å; F13-L130 HydrophobicContact CD1-CB 3.93Å; F13-L130 HydrophobicContact CD2-CB 4.28Å; F13-L130 HydrophobicContact CD2-CD1 3.59Å; F13-L130 HydrophobicContact CD2-CG 4.4Å; F13-L130 HydrophobicContact CE1-CB 4.18Å; F13-L130 HydrophobicContact CE2-CB 4.48Å; F13-L130 HydrophobicContact CE2-CD1 3.97Å; F13-L130 HydrophobicContact CG-CB 3.98Å; F13-L130 HydrophobicContact CG-CD1 4.01Å; F13-L130 HydrophobicContact CG-CD2 4.42Å; F13-L130 HydrophobicContact CG-CG 4.35Å; F13-L130 HydrophobicContact CZ-CB 4.45Å
14	K	86.6	Confident	64.7	Low	136 Å²	136	89.1 Å²	89.1	59%	0.591	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	134.6	171.2	-64.9	174.4	-174.4	167.3	0	109.4	C121	K14-C121 PolarHBondContact O-SG 3.22Å
15	A	86.5	Confident	65.9	Low	4 Å²	4	88.1 Å²	88.1	3%	0.033	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	171	174.7	0	0	0	0	0	110.9	C51 V53 F119 S120	A15-C51 PolarHBondContact N-O 2.84Å; A15-C51 VanDerWaalsContact N-O 3.08Å; A15-C51 CarbonylContact O-C 3.51Å; A15-C51 PolarHBondContact O-N 2.59Å; A15-C51 PolarHBondContact O-SG 2.65Å; A15-C51 VanDerWaalsContact O-SG 3.4Å; A15-V53 HydrophobicContact CB-CG2 3.98Å; A15-F119 HydrophobicContact CB-CB 4.2Å; A15-F119 HydrophobicContact CB-CD1 4.27Å; A15-S120 CarbonylContact C-O 3.51Å; A15-S120 WeakPolarHBondContact CA-O 3.46Å; A15-S120 WeakPolarHBondContact CB-O 3.31Å
16	H	84	Confident	67.3	Low	19 Å²	19	84 Å²	84	9%	0.088	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.6	162.1	-53.7	81.9	0	0	0	107.7	I18 E48 T49 F119 S120	H16-I18 HydrophobicContact CB-CD1 4.28Å; H16-E48 HydrophobicContact CB-CB 4.33Å; H16-T49 CarbonylContact C-O 3.2Å; H16-T49 WeakPolarHBondContact CA-O 3.37Å; H16-F119 CarbonylContact O-C 3.57Å; H16-F119 WeakPolarHBondContact O-CA 3.32Å; H16-S120 PolarHBondContact N-O 3.48Å; H16-S120 PolarHBondContact O-N 2.63Å
17	H	82	Confident	69	Low	42 Å²	42	79.6 Å²	79.6	19%	0.194	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	135.1	167.8	176.7	-95.1	0	0	0	108.8	S20 E48 T49 F119	H17-S20 PolarHBondContact NE2-OG 3.26Å; H17-E48 WeakPolarHBondContact O-CA 3.38Å; H17-T49 PolarHBondContact N-O 3.35Å; H17-T49 PolarHBondContact O-N 3.18Å; H17-F119 HydrophobicContact CB-CD1 4.01Å; H17-F119 HydrophobicContact CB-CE1 3.81Å; H17-F119 AromaticContact CD2-CE1 3.79Å; H17-F119 AromaticContact CD2-CZ 3.78Å
18	I	78.5	Confident	70.8	Confident	8 Å²	8	74.4 Å²	74.4	4%	0.041	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-47.2	-172.2	-56	-59.8	0	0	0	110.8	H16 I37 I46 E48 L97 V118	H16-I18 HydrophobicContact CB-CD1 4.28Å; I18-I37 HydrophobicContact CG2-CG2 3.72Å; I18-I46 HydrophobicContact CG2-CD1 4.08Å; I18-I46 HydrophobicContact CG2-CG2 4.11Å; I18-E48 HydrophobicContact CD1-CB 4.18Å; I18-E48 HydrophobicContact CD1-CG 3.67Å; I18-L97 HydrophobicContact CG1-CD2 4.04Å; I18-V118 PolarHBondContact N-O 3.28Å
19	A	77	Confident	72.4	Confident	13 Å²	13	68.2 Å²	68.2	11%	0.107	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	155.3	179.3	0	0	0	0	0	111	F21 V118	A19-F21 HydrophobicContact CB-CD2 4.27Å; A19-F21 HydrophobicContact CB-CE1 4.49Å; A19-F21 HydrophobicContact CB-CE2 3.52Å; A19-F21 HydrophobicContact CB-CZ 3.65Å; A19-V118 PolarHBondContact N-O 2.71Å; A19-V118 PolarHBondContact O-N 3.15Å
20	S	74.6	Confident	73.4	Confident	55 Å²	55	61 Å²	61	39%	0.385	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.8	164.2	-57.5	0	0	0	0	109.3	H17 V116 H117	H17-S20 PolarHBondContact NE2-OG 3.26Å; S20-V116 CarbonylContact C-O 3.54Å; S20-V116 WeakPolarHBondContact CA-O 3.43Å; S20-H117 PolarHBondContact OG-CE1 3.13Å; S20-H117 PolarHBondContact OG-ND1 3.08Å
21	F	71.4	Confident	73.6	Confident	28 Å²	28	57.6 Å²	57.6	12%	0.123	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132	-175.8	-58.1	-85.8	0	0	0	110.7	A19 L28 V33 H36 I37 L40 E115 V116 V118	A19-F21 HydrophobicContact CB-CD2 4.27Å; A19-F21 HydrophobicContact CB-CE1 4.49Å; A19-F21 HydrophobicContact CB-CE2 3.52Å; A19-F21 HydrophobicContact CB-CZ 3.65Å; F21-L28 HydrophobicContact CB-CD1 3.7Å; F21-L28 HydrophobicContact CG-CD1 4.34Å; F21-V33 HydrophobicContact CD2-CG1 4.37Å; F21-V33 HydrophobicContact CE2-CG1 4.07Å; F21-H36 HydrophobicContact CE1-CB 3.74Å; F21-H36 HydrophobicContact CZ-CB 3.92Å; F21-I37 HydrophobicContact CE2-CD1 4.3Å; F21-I37 HydrophobicContact CE2-CG1 3.84Å; F21-I37 HydrophobicContact CZ-CG1 3.74Å; F21-L40 HydrophobicContact CE1-CD1 3.98Å; F21-L40 HydrophobicContact CZ-CD1 4.24Å; F21-E115 CarbonylContact O-C 3.57Å; F21-E115 VanDerWaalsContact O-CA 3.3Å; F21-E115 WeakPolarHBondContact O-CA 3.5Å; F21-V116 HydrophobicContact CB-CB 4.42Å; F21-V116 PolarHBondContact N-O 3.09Å; F21-V116 PolarHBondContact O-N 3.33Å; F21-V118 HydrophobicContact CD2-CG2 4.29Å; F21-V118 HydrophobicContact CE2-CG2 4.15Å
22	I	70.9	Confident	73.2	Confident	112 Å²	112	55.9 Å²	55.9	57%	0.574	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.4	168.8	-55.9	173.9	0	0	0	108.2
23	E	69.3	Low	72.5	Confident	14 Å²	14	53.5 Å²	53.5	7%	0.065	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	140.1	171	-54.4	-172.6	120	0	0	109.8	K27 L28 R101 S114 V116	E23-K27 VanDerWaalsContact OE1-CG 3.26Å; E23-K27 WeakPolarHBondContact OE1-CG 3.47Å; E23-L28 HydrophobicContact CG-CB 4.25Å; E23-L28 HydrophobicContact CG-CD1 4.14Å; E23-L28 HydrophobicContact CG-CG 4.06Å; E23-L28 PolarHBondContact OE1-N 3.22Å; E23-R101 IonicContact OE1-CZ 2.7Å; E23-R101 IonicContact OE1-NE 2.69Å; E23-R101 PolarHBondContact OE1-NE 3.09Å; E23-R101 IonicContact OE1-NH2 2.95Å; E23-R101 WeakPolarHBondContact OE2-CD 3.26Å; E23-R101 IonicContact OE2-NE 2.72Å; E23-R101 PolarHBondContact OE2-NE 3.09Å; E23-S114 WeakPolarHBondContact CB-O 3.34Å; E23-S114 PolarHBondContact N-O 2.95Å; E23-S114 WeakPolarHBondContact OE2-CB 3.41Å; E23-S114 PolarHBondContact OE2-OG 2.87Å; E23-V116 HydrophobicContact CG-CG2 3.71Å; E23-V116 WeakPolarHBondContact OE1-CG2 3.48Å
24	G	68.2	Low	71.8	Confident	61 Å²	61	53.9 Å²	53.9	63%	0.629	30%	0.297	S	S	*	.			trans	-91.5	-145.5	179.4	0	0	0	0	0	112.6	E26	G24-E26 PolarHBondContact O-N 3.35Å
25	E	57.9	Low	70.8	Confident	197 Å²	197	50.9 Å²	50.9	92%	0.921	29%	0.285	S	S	*	.	S	Bend	trans	-62.6	-23.8	169.3	-63.1	177.2	175.4	0	0	112.1
26	E	56.9	Low	69.9	Low	57 Å²	57	53.5 Å²	53.5	27%	0.266	30%	0.296	S	S	.	.	S	Bend	trans	-107	133.3	172.3	-64.4	-177.1	-106	0	0	111	G24 T695 H696 H698	G24-E26 PolarHBondContact O-N 3.35Å; E26-T695 WeakPolarHBondContact OE2-CA 3.47Å; E26-H696 PolarHBondContact OE2-N 3.46Å; E26-H698 IonicContact OE1-CE1 3.31Å; E26-H698 IonicContact OE1-ND1 3.49Å; E26-H698 PolarHBondContact OE1-ND1 2.81Å
27	K	67.8	Low	69.2	Low	121 Å²	121	52.6 Å²	52.6	53%	0.526	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-75.2	129	178.5	-168.9	175	-176	174.2	0	110.7	E23 T29 D81 R101	E23-K27 VanDerWaalsContact OE1-CG 3.26Å; E23-K27 WeakPolarHBondContact OE1-CG 3.47Å; K27-T29 PolarHBondContact O-N 3.37Å; K27-D81 WeakPolarHBondContact CE-OD2 3.38Å; K27-D81 IonicContact NZ-OD1 3.09Å; K27-D81 IonicContact NZ-OD2 2.62Å; K27-D81 PolarHBondContact NZ-OD2 3.18Å; K27-R101 VanDerWaalsContact CE-NE 3.28Å
28	L	67.6	Low	68.5	Low	28 Å²	28	52.9 Å²	52.9	15%	0.147	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-71.4	122.1	-174.1	-70.9	174.4	0	0	0	110.6	F21 E23 V33 R101 V116	F21-L28 HydrophobicContact CB-CD1 3.7Å; F21-L28 HydrophobicContact CG-CD1 4.34Å; E23-L28 HydrophobicContact CG-CB 4.25Å; E23-L28 HydrophobicContact CG-CD1 4.14Å; E23-L28 HydrophobicContact CG-CG 4.06Å; E23-L28 PolarHBondContact OE1-N 3.22Å; L28-V33 HydrophobicContact CB-CG2 3.95Å; L28-R101 PolarHBondContact O-NH2 3.37Å; L28-V116 HydrophobicContact CB-CG2 4.34Å; L28-V116 HydrophobicContact CD1-CG2 4.37Å
29	T	70.4	Confident	67.8	Low	79 Å²	79	56.9 Å²	56.9	49%	0.485	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-71.6	152.5	177.8	63.5	0	0	0	0	111.6	K27 S31 S32 V33	K27-T29 PolarHBondContact O-N 3.37Å; T29-S31 PolarHBondContact O-N 2.93Å; T29-S32 WeakPolarHBondContact O-CA 3.45Å; T29-S32 WeakPolarHBondContact O-CB 3.47Å; T29-S32 PolarHBondContact O-N 2.89Å; T29-S32 WeakPolarHBondContact OG1-CB 3.29Å; T29-S32 PolarHBondContact OG1-N 3.16Å; T29-V33 WeakPolarHBondContact O-CG2 3.41Å; T29-V33 PolarHBondContact O-N 2.92Å
30	P	65.4	Low	67.2	Low	39 Å²	39	58.8 Å²	58.8	25%	0.253	32%	0.324	S	S	.	.	H	α-helix	trans	-44.2	-46.7	172.3	-33.5	38.7	0	0	0	113.8	V33 V34 F86	P30-V33 PolarHBondContact O-N 2.94Å; P30-V34 PolarHBondContact O-N 3.47Å; P30-F86 HydrophobicContact CB-CE1 3.7Å; P30-F86 HydrophobicContact CB-CZ 3.66Å
31	S	62.8	Low	66.8	Low	51 Å²	51	58.9 Å²	58.9	36%	0.357	32%	0.318	S	S	.	.	H	α-helix	trans	-67.1	-37.5	177.5	-40	0	0	0	0	113.3	T29 V33 H35	T29-S31 PolarHBondContact O-N 2.93Å; S31-V33 VanDerWaalsContact C-N 3.33Å; S31-H35 WeakPolarHBondContact O-CB 3.34Å; S31-H35 PolarHBondContact O-N 3.5Å
32	S	68.8	Low	66.1	Low	33 Å²	33	61.2 Å²	61.2	23%	0.231	35%	0.35	C	S	.	.	H	α-helix	trans	-66.4	-36	176.3	-171.5	0	0	0	0	112	T29 H35 H36	T29-S32 WeakPolarHBondContact O-CA 3.45Å; T29-S32 WeakPolarHBondContact O-CB 3.47Å; T29-S32 PolarHBondContact O-N 2.89Å; T29-S32 WeakPolarHBondContact OG1-CB 3.29Å; T29-S32 PolarHBondContact OG1-N 3.16Å; S32-H35 PolarHBondContact O-N 3.45Å; S32-H36 PolarHBondContact O-CD2 3.07Å; S32-H36 PolarHBondContact O-N 3.11Å; S32-H36 PolarHBondContact O-ND1 3.48Å; S32-H36 PolarHBondContact OG-CE1 3.48Å
33	V	70.3	Confident	65.2	Low	0 Å²	0	57.9 Å²	57.9	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.3	-52.8	175.9	174.4	0	0	0	0	109.8	F21 L28 T29 P30 S31 H35 H36 I37 L99 V116 V118	F21-V33 HydrophobicContact CD2-CG1 4.37Å; F21-V33 HydrophobicContact CE2-CG1 4.07Å; L28-V33 HydrophobicContact CB-CG2 3.95Å; T29-V33 WeakPolarHBondContact O-CG2 3.41Å; T29-V33 PolarHBondContact O-N 2.92Å; P30-V33 PolarHBondContact O-N 2.94Å; S31-V33 VanDerWaalsContact C-N 3.33Å; V33-H35 VanDerWaalsContact C-N 3.31Å; V33-H35 PolarHBondContact O-N 3.36Å; V33-H36 PolarHBondContact O-N 2.85Å; V33-I37 HydrophobicContact CG1-CD1 3.84Å; V33-I37 VanDerWaalsContact O-CG1 3.26Å; V33-I37 WeakPolarHBondContact O-CG1 3.38Å; V33-I37 PolarHBondContact O-N 3.16Å; V33-L99 HydrophobicContact CB-CD2 4.49Å; V33-L99 HydrophobicContact CG1-CD2 4.4Å; V33-L99 HydrophobicContact CG2-CD2 4.43Å; V33-V116 HydrophobicContact CG1-CG1 4.3Å; V33-V116 HydrophobicContact CG2-CG1 4.04Å; V33-V118 HydrophobicContact CG1-CG2 3.69Å
34	V	70.1	Confident	64.8	Low	35 Å²	35	60.7 Å²	60.7	21%	0.212	38%	0.376	C	S	.	.	H	α-helix	trans	-58.3	-43.1	176	177	0	0	0	0	111.5	P30 H36 I37 N38 F86	P30-V34 PolarHBondContact O-N 3.47Å; V34-H36 PolarHBondContact O-N 3.48Å; V34-I37 PolarHBondContact O-N 3.18Å; V34-N38 PolarHBondContact O-N 3.42Å; V34-N38 PolarHBondContact O-OD1 2.98Å; V34-N38 VanDerWaalsContact O-OD1 3.05Å; V34-F86 HydrophobicContact CG2-CB 4.44Å; V34-F86 HydrophobicContact CG2-CD1 3.48Å; V34-F86 VanDerWaalsContact CG2-CD1 3.48Å; V34-F86 HydrophobicContact CG2-CD2 4.25Å; V34-F86 HydrophobicContact CG2-CE1 3.6Å; V34-F86 HydrophobicContact CG2-CE2 4.36Å; V34-F86 HydrophobicContact CG2-CG 3.8Å; V34-F86 HydrophobicContact CG2-CZ 4.03Å
35	H	66.3	Low	64.2	Low	73 Å²	73	67.1 Å²	67.1	34%	0.338	38%	0.381	S	S	.	.	H	α-helix	trans	-59.9	-41.7	177.2	-176	63.9	0	0	0	112.9	S31 S32 V33 L39	S31-H35 WeakPolarHBondContact O-CB 3.34Å; S31-H35 PolarHBondContact O-N 3.5Å; S32-H35 PolarHBondContact O-N 3.45Å; V33-H35 VanDerWaalsContact C-N 3.31Å; V33-H35 PolarHBondContact O-N 3.36Å; H35-L39 WeakPolarHBondContact O-CB 3.34Å; H35-L39 PolarHBondContact O-N 3.14Å
36	H	68.7	Low	64.4	Low	59 Å²	59	59 Å²	59	27%	0.273	34%	0.344	S	S	.	.	H	α-helix	trans	-67.1	-38.9	175.5	-65	164.6	0	0	0	112.4	F21 S32 V33 V34 L39 L40	F21-H36 HydrophobicContact CE1-CB 3.74Å; F21-H36 HydrophobicContact CZ-CB 3.92Å; S32-H36 PolarHBondContact O-CD2 3.07Å; S32-H36 PolarHBondContact O-N 3.11Å; S32-H36 PolarHBondContact O-ND1 3.48Å; S32-H36 PolarHBondContact OG-CE1 3.48Å; V33-H36 PolarHBondContact O-N 2.85Å; V34-H36 PolarHBondContact O-N 3.48Å; H36-L39 PolarHBondContact O-N 2.95Å; H36-L40 WeakPolarHBondContact O-CB 3.24Å; H36-L40 VanDerWaalsContact O-CG 3.3Å; H36-L40 WeakPolarHBondContact O-CG 3.44Å; H36-L40 PolarHBondContact O-N 3.17Å
37	I	69.3	Low	64.8	Low	0 Å²	0	62.8 Å²	62.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-63.6	-49.4	176.8	-62.8	166.2	0	0	0	110	I18 F21 V33 V34 L39 L40 H41 I46 F92 L97 V118	I18-I37 HydrophobicContact CG2-CG2 3.72Å; F21-I37 HydrophobicContact CE2-CD1 4.3Å; F21-I37 HydrophobicContact CE2-CG1 3.84Å; F21-I37 HydrophobicContact CZ-CG1 3.74Å; V33-I37 HydrophobicContact CG1-CD1 3.84Å; V33-I37 VanDerWaalsContact O-CG1 3.26Å; V33-I37 WeakPolarHBondContact O-CG1 3.38Å; V33-I37 PolarHBondContact O-N 3.16Å; V34-I37 PolarHBondContact O-N 3.18Å; I37-L39 VanDerWaalsContact C-N 3.3Å; I37-L39 PolarHBondContact O-N 3.33Å; I37-L40 PolarHBondContact O-N 3.22Å; I37-L40 VanDerWaalsContact O-N 3.15Å; I37-H41 WeakPolarHBondContact O-CB 3.44Å; I37-H41 PolarHBondContact O-N 2.97Å; I37-I46 HydrophobicContact CB-CD1 4.31Å; I37-I46 HydrophobicContact CG2-CD1 3.5Å; I37-I46 WeakPolarHBondContact O-CD1 3.41Å; I37-F92 HydrophobicContact CG2-CE1 3.69Å; I37-F92 HydrophobicContact CG2-CZ 3.54Å; I37-L97 HydrophobicContact CD1-CD1 4.34Å; I37-V118 HydrophobicContact CD1-CB 4.25Å; I37-V118 HydrophobicContact CD1-CG1 3.74Å; I37-V118 HydrophobicContact CD1-CG2 4.23Å
38	N	66.9	Low	65	Low	48 Å²	48	58.7 Å²	58.7	26%	0.257	35%	0.349	S	S	.	.	H	α-helix	trans	-58.9	-40.3	176.9	-72.4	40.1	0	0	0	111.9	V34 H41 G42 S89 F92	V34-N38 PolarHBondContact O-N 3.42Å; V34-N38 PolarHBondContact O-OD1 2.98Å; V34-N38 VanDerWaalsContact O-OD1 3.05Å; N38-H41 PolarHBondContact O-N 3.37Å; N38-G42 PolarHBondContact O-N 3.35Å; N38-S89 PolarHBondContact ND2-OG 3.16Å; N38-F92 WeakPolarHBondContact OD1-CE2 3.23Å
39	L	63.5	Low	65.5	Low	91 Å²	91	59.6 Å²	59.6	48%	0.476	36%	0.356	S	S	.	.	H	α-helix	trans	-66.1	-35.9	177.1	-174.5	66.6	0	0	0	113	H35 H36 I37 G43 Y179	H35-L39 WeakPolarHBondContact O-CB 3.34Å; H35-L39 PolarHBondContact O-N 3.14Å; H36-L39 PolarHBondContact O-N 2.95Å; I37-L39 VanDerWaalsContact C-N 3.3Å; I37-L39 PolarHBondContact O-N 3.33Å; L39-G43 PolarHBondContact O-N 3.06Å; L39-Y179 HydrophobicContact CD1-CD2 4.14Å; L39-Y179 HydrophobicContact CD1-CE2 4.21Å
40	L	65.1	Low	66.1	Low	53 Å²	53	58.5 Å²	58.5	28%	0.277	35%	0.35	S	S	.	.	H	α-helix	trans	-75.6	-38.2	175.8	-70.8	168.8	0	0	0	112	F21 H36 I37 G43 G44 R45 I46	F21-L40 HydrophobicContact CE1-CD1 3.98Å; F21-L40 HydrophobicContact CZ-CD1 4.24Å; H36-L40 WeakPolarHBondContact O-CB 3.24Å; H36-L40 VanDerWaalsContact O-CG 3.3Å; H36-L40 WeakPolarHBondContact O-CG 3.44Å; H36-L40 PolarHBondContact O-N 3.17Å; I37-L40 PolarHBondContact O-N 3.22Å; I37-L40 VanDerWaalsContact O-N 3.15Å; L40-G43 CarbonylContact O-C 3.45Å; L40-G43 PolarHBondContact O-N 2.99Å; L40-G44 PolarHBondContact O-N 2.85Å; L40-R45 HydrophobicContact CD2-CB 4.18Å; L40-R45 PolarHBondContact O-N 3.33Å; L40-I46 HydrophobicContact CB-CD1 3.96Å; L40-I46 HydrophobicContact CB-CG1 3.75Å
41	H	65	Low	67	Low	57 Å²	57	56.9 Å²	56.9	26%	0.264	34%	0.339	S	S	.	.	H	α-helix	trans	-66.6	-48.6	177.8	-157.8	87.1	0	0	0	111.4	I37 N38 G43 G44 I46 E48 D91 F92	I37-H41 WeakPolarHBondContact O-CB 3.44Å; I37-H41 PolarHBondContact O-N 2.97Å; N38-H41 PolarHBondContact O-N 3.37Å; H41-G43 PolarHBondContact O-N 3.44Å; H41-G43 VanDerWaalsContact O-N 3.1Å; H41-G44 PolarHBondContact O-N 3.41Å; H41-I46 HydrophobicContact CB-CD1 4.11Å; H41-E48 IonicContact CE1-OE1 2.65Å; H41-D91 PolarHBondContact NE2-O 3.49Å; H41-F92 HydrophobicContact CB-CE1 3.72Å; H41-F92 HydrophobicContact CB-CZ 3.85Å; H41-F92 AromaticContact CE1-CD1 3.8Å; H41-F92 AromaticContact CE1-CE1 3.96Å; H41-F92 AromaticContact CG-CE1 3.49Å; H41-F92 VanDerWaalsContact CG-CE1 3.49Å; H41-F92 AromaticContact CG-CZ 4Å; H41-F92 AromaticContact ND1-CD1 3.65Å; H41-F92 AromaticContact ND1-CE1 3.33Å; H41-F92 VanDerWaalsContact ND1-CE1 3.33Å; H41-F92 WeakPolarHBondContact ND1-CE1 3.2Å
42	G	56.1	Low	68.1	Low	77 Å²	77	58 Å²	58	79%	0.794	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.1	172.8	0	0	0	0	0	114.2	N38	N38-G42 PolarHBondContact O-N 3.35Å
43	G	53.7	Low	68.9	Low	43 Å²	43	56.5 Å²	56.5	44%	0.443	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	1.7	170.9	0	0	0	0	0	115.2	L39 L40 H41 R45	L39-G43 PolarHBondContact O-N 3.06Å; L40-G43 CarbonylContact O-C 3.45Å; L40-G43 PolarHBondContact O-N 2.99Å; H41-G43 PolarHBondContact O-N 3.44Å; H41-G43 VanDerWaalsContact O-N 3.1Å; G43-R45 WeakPolarHBondContact O-CG 3.36Å
44	G	59.3	Low	69.6	Low	73 Å²	73	58.3 Å²	58.3	75%	0.753	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	31.2	-177.8	0	0	0	0	0	114.6	L40 H41	L40-G44 PolarHBondContact O-N 2.85Å; H41-G44 PolarHBondContact O-N 3.41Å
45	R	56.4	Low	70.4	Confident	195 Å²	195	56.7 Å²	56.7	74%	0.736	33%	0.325	S	S	*	.			trans	-116.6	13.5	-172.4	-46.2	-168.3	-162.4	172.7	7	115.1	L40 G43	L40-R45 HydrophobicContact CD2-CB 4.18Å; L40-R45 PolarHBondContact O-N 3.33Å; G43-R45 WeakPolarHBondContact O-CG 3.36Å
46	I	62.8	Low	71.1	Confident	27 Å²	27	54.8 Å²	54.8	14%	0.138	32%	0.317	C	S	.	.			trans	-110.3	128.3	171.9	-66.8	-170.3	0	0	0	107.6	I18 I37 L40 H41 E48 F92	I18-I46 HydrophobicContact CG2-CD1 4.08Å; I18-I46 HydrophobicContact CG2-CG2 4.11Å; I37-I46 HydrophobicContact CB-CD1 4.31Å; I37-I46 HydrophobicContact CG2-CD1 3.5Å; I37-I46 WeakPolarHBondContact O-CD1 3.41Å; L40-I46 HydrophobicContact CB-CD1 3.96Å; L40-I46 HydrophobicContact CB-CG1 3.75Å; H41-I46 HydrophobicContact CB-CD1 4.11Å; I46-E48 HydrophobicContact CG2-CG 3.95Å; I46-F92 HydrophobicContact CD1-CE1 4.48Å
47	D	63.5	Low	71.5	Confident	137 Å²	137	61.2 Å²	61.2	73%	0.733	34%	0.344	S	S	*	.			trans	-117	102.2	172.1	-169.2	14.7	0	0	0	107.7	T49	D47-T49 PolarHBondContact O-N 3.4Å; D47-T49 PolarHBondContact O-OG1 3.33Å
48	E	73.3	Confident	71.8	Confident	34 Å²	34	67.9 Å²	67.9	16%	0.159	37%	0.373	C	S	.	.			trans	-71.2	92.4	-170.1	-64.3	-167.7	-147.3	0	0	110.8	H16 H17 I18 H41 I46 P50 Y94	H16-E48 HydrophobicContact CB-CB 4.33Å; H17-E48 WeakPolarHBondContact O-CA 3.38Å; I18-E48 HydrophobicContact CD1-CB 4.18Å; I18-E48 HydrophobicContact CD1-CG 3.67Å; H41-E48 IonicContact CE1-OE1 2.65Å; I46-E48 HydrophobicContact CG2-CG 3.95Å; E48-P50 VanDerWaalsContact O-CD 3.26Å; E48-P50 WeakPolarHBondContact O-CD 3.16Å; E48-Y94 WeakPolarHBondContact OE2-CD2 3.28Å
49	T	77.8	Confident	72.6	Confident	47 Å²	47	65.6 Å²	65.6	29%	0.288	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	114.2	-167.8	-64.9	0	0	0	0	111.1	H16 H17 D47 C51 L64	H16-T49 CarbonylContact C-O 3.2Å; H16-T49 WeakPolarHBondContact CA-O 3.37Å; H17-T49 PolarHBondContact N-O 3.35Å; H17-T49 PolarHBondContact O-N 3.18Å; D47-T49 PolarHBondContact O-N 3.4Å; D47-T49 PolarHBondContact O-OG1 3.33Å; T49-C51 PolarHBondContact O-N 3.39Å; T49-L64 HydrophobicContact CG2-CD2 3.63Å
50	P	82.6	Confident	73.6	Confident	56 Å²	56	61.3 Å²	61.3	36%	0.364	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	124.4	-176.2	-15.6	29.6	0	0	0	112.1	E48 R65	E48-P50 VanDerWaalsContact O-CD 3.26Å; E48-P50 WeakPolarHBondContact O-CD 3.16Å; P50-R65 HydrophobicContact CB-CB 4.04Å; P50-R65 WeakPolarHBondContact O-CB 3.43Å; P50-R65 PolarHBondContact O-N 3.43Å
51	C	83.9	Confident	74.3	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.034	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	172.4	-174.4	68.4	0	0	0	0	113.2	A15 T49 I62 E63	A15-C51 PolarHBondContact N-O 2.84Å; A15-C51 VanDerWaalsContact N-O 3.08Å; A15-C51 CarbonylContact O-C 3.51Å; A15-C51 PolarHBondContact O-N 2.59Å; A15-C51 PolarHBondContact O-SG 2.65Å; A15-C51 VanDerWaalsContact O-SG 3.4Å; T49-C51 PolarHBondContact O-N 3.39Å; C51-I62 HydrophobicContact CB-CG2 4Å; C51-E63 CarbonylContact C-O 3.58Å; C51-E63 VanDerWaalsContact CA-O 3.26Å; C51-E63 WeakPolarHBondContact CA-O 3.45Å; C51-E63 WeakPolarHBondContact CB-O 3.32Å
52	K	85.9	Confident	75.1	Confident	75 Å²	75	57.2 Å²	57.2	33%	0.326	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.2	176.8	170.6	-174.9	165.2	-145.2	0	107.9	A12 F13 E63	A12-K52 HydrophobicContact CB-CG 4.33Å; F13-K52 CarbonylContact O-C 3.47Å; F13-K52 VanDerWaalsContact O-CA 3.31Å; F13-K52 WeakPolarHBondContact O-CA 3.39Å; K52-E63 HydrophobicContact CB-CB 4.13Å; K52-E63 VanDerWaalsContact CD-OE2 3.31Å; K52-E63 WeakPolarHBondContact CD-OE2 3.28Å; K52-E63 WeakPolarHBondContact CE-OE2 3.38Å; K52-E63 PolarHBondContact N-O 3.18Å; K52-E63 IonicContact NZ-OE2 3.15Å; K52-E63 PolarHBondContact NZ-OE2 2.96Å; K52-E63 PolarHBondContact O-N 3.14Å
53	V	86.5	Confident	75.9	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	108.5	-179.3	-175.9	0	0	0	0	107.8	A12 F13 A15 L55 I60 I62 F119 L130	A12-V53 WeakPolarHBondContact CA-O 3.29Å; F13-V53 PolarHBondContact N-O 3.41Å; F13-V53 PolarHBondContact O-N 2.95Å; A15-V53 HydrophobicContact CB-CG2 3.98Å; V53-L55 HydrophobicContact CG1-CD2 4.13Å; V53-I60 HydrophobicContact CG1-CG2 3.59Å; V53-I62 HydrophobicContact CG1-CD1 4.16Å; V53-I62 HydrophobicContact CG2-CD1 4.06Å; V53-F119 HydrophobicContact CG2-CD1 4.3Å; V53-F119 HydrophobicContact CG2-CE1 4.38Å; V53-L130 HydrophobicContact CB-CD2 4.39Å; V53-L130 HydrophobicContact CG1-CD1 3.97Å; V53-L130 HydrophobicContact CG1-CD2 4.39Å
54	R	85.8	Confident	76.9	Confident	37 Å²	37	54 Å²	54	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.6	-179.5	-176	168.3	58.6	77.3	8	110.7	E10 L11 A12 L61 E63	E10-R54 HydrophobicContact CG-CG 3.98Å; E10-R54 IonicContact OE1-CZ 3.6Å; E10-R54 IonicContact OE1-NH1 3.64Å; E10-R54 PolarHBondContact OE1-NH1 3.46Å; L11-R54 CarbonylContact O-C 3.58Å; L11-R54 WeakPolarHBondContact O-CA 3.39Å; A12-R54 HydrophobicContact CB-CB 4.32Å; A12-R54 HydrophobicContact CB-CG 4.32Å; R54-L61 PolarHBondContact N-O 3.38Å; R54-L61 PolarHBondContact O-N 3.33Å; R54-E63 IonicContact CZ-OE1 2.72Å; R54-E63 IonicContact NE-OE1 2.7Å; R54-E63 PolarHBondContact NE-OE1 2.87Å; R54-E63 IonicContact NE-OE2 2.7Å; R54-E63 IonicContact NH2-OE1 3.68Å; R54-E63 PolarHBondContact NH2-OE1 2.95Å
55	L	86.8	Confident	77.6	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.9	-177.3	-45.1	-179.4	0	0	0	109.4	L11 F13 V53 I60 W76 L130 S133 I134 Q137	L11-L55 HydrophobicContact CB-CB 4.35Å; L11-L55 HydrophobicContact CB-CD1 4.35Å; L11-L55 HydrophobicContact CB-CG 4.48Å; L11-L55 PolarHBondContact O-N 2.97Å; F13-L55 HydrophobicContact CD2-CD1 4.46Å; F13-L55 HydrophobicContact CE2-CD1 3.81Å; F13-L55 HydrophobicContact CE2-CG 4.28Å; V53-L55 HydrophobicContact CG1-CD2 4.13Å; L55-I60 HydrophobicContact CD2-CB 4.33Å; L55-I60 HydrophobicContact CD2-CD1 4.36Å; L55-I60 HydrophobicContact CD2-CG1 3.85Å; L55-I60 HydrophobicContact CD2-CG2 4.04Å; L55-W76 HydrophobicContact CB-CH2 4.32Å; L55-W76 HydrophobicContact CB-CZ2 4.23Å; L55-W76 HydrophobicContact CD2-CH2 4.22Å; L55-L130 HydrophobicContact CD1-CD1 4.23Å; L55-L130 HydrophobicContact CD2-CD1 4.12Å; L55-S133 VanDerWaalsContact CD1-CB 3.43Å; L55-I134 HydrophobicContact CD1-CG1 4.13Å; L55-I134 HydrophobicContact CD2-CG1 3.92Å; L55-Q137 VanDerWaalsContact CB-OE1 3.26Å; L55-Q137 PolarHBondContact O-NE2 3.17Å
56	D	80.6	Confident	78.2	Confident	32 Å²	32	53.4 Å²	53.4	17%	0.171	26%	0.263	C	S	.	.			trans	-116.3	-172.2	-179	102.6	-38.2	0	0	0	112.9	K58 G59 L61 W76 Q137	D56-K58 PolarHBondContact O-N 3.18Å; D56-K58 WeakPolarHBondContact OD1-CA 3.44Å; D56-K58 WeakPolarHBondContact OD1-CB 3.37Å; D56-K58 PolarHBondContact OD1-N 3.01Å; D56-G59 PolarHBondContact N-O 3.03Å; D56-G59 PolarHBondContact OD1-N 2.91Å; D56-L61 HydrophobicContact CB-CD1 3.71Å; D56-W76 PolarHBondContact O-NE1 3.28Å; D56-Q137 VanDerWaalsContact C-NE2 3.27Å; D56-Q137 PolarHBondContact O-NE2 2.93Å
57	K	77.3	Confident	78.6	Confident	194 Å²	194	55 Å²	55	84%	0.843	28%	0.277	S	S	*	.	S	Bend	trans	-74	-9.5	-178.8	-64.3	-172	178.7	-174	0	114.2
58	K	75.5	Confident	79.2	Confident	141 Å²	141	56 Å²	56	61%	0.613	28%	0.278	S	S	*	.	S	Bend	trans	-110.4	-34.5	-178.2	-51.7	175.2	-179.5	175.3	0	112.5	D56 F73 E75 W76	D56-K58 PolarHBondContact O-N 3.18Å; D56-K58 WeakPolarHBondContact OD1-CA 3.44Å; D56-K58 WeakPolarHBondContact OD1-CB 3.37Å; D56-K58 PolarHBondContact OD1-N 3.01Å; K58-F73 HydrophobicContact CB-CE2 4.05Å; K58-F73 HydrophobicContact CB-CZ 3.68Å; K58-F73 HydrophobicContact CD-CZ 4.38Å; K58-E75 WeakPolarHBondContact O-CA 3.43Å; K58-W76 PolarHBondContact O-N 2.76Å
59	G	83.6	Confident	79.1	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179	-157.5	-176.4	0	0	0	0	0	115.3	D56 F74 W76	D56-G59 PolarHBondContact N-O 3.03Å; D56-G59 PolarHBondContact OD1-N 2.91Å; G59-F74 CarbonylContact C-O 3.43Å; G59-F74 WeakPolarHBondContact CA-O 3.37Å; G59-W76 VanDerWaalsContact N-NE1 3.16Å; G59-W76 WeakPolarHBondContact O-CZ2 3.36Å
60	I	83.2	Confident	78.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	132.4	172.3	-54.7	-177.6	0	0	0	108.2	V53 L55 I62 F73 F74 W76 I79 F100 I134	V53-I60 HydrophobicContact CG1-CG2 3.59Å; L55-I60 HydrophobicContact CD2-CB 4.33Å; L55-I60 HydrophobicContact CD2-CD1 4.36Å; L55-I60 HydrophobicContact CD2-CG1 3.85Å; L55-I60 HydrophobicContact CD2-CG2 4.04Å; I60-I62 HydrophobicContact CG2-CD1 3.99Å; I60-F73 CarbonylContact O-C 3.48Å; I60-F73 WeakPolarHBondContact O-CA 3.28Å; I60-F73 WeakPolarHBondContact O-CD2 3.3Å; I60-F74 HydrophobicContact CB-CB 4.43Å; I60-F74 HydrophobicContact CB-CD2 4.5Å; I60-F74 PolarHBondContact N-O 2.66Å; I60-F74 PolarHBondContact O-N 2.92Å; I60-W76 HydrophobicContact CD1-CH2 4.41Å; I60-W76 HydrophobicContact CD1-CZ3 4.14Å; I60-W76 HydrophobicContact CG1-CH2 3.7Å; I60-W76 HydrophobicContact CG1-CZ2 4.46Å; I60-W76 HydrophobicContact CG1-CZ3 3.75Å; I60-I79 HydrophobicContact CD1-CD1 3.55Å; I60-I79 HydrophobicContact CG1-CD1 3.72Å; I60-F100 HydrophobicContact CD1-CE1 4.37Å; I60-I134 HydrophobicContact CD1-CD1 3.79Å; I60-I134 HydrophobicContact CD1-CG1 3.85Å; I60-I134 HydrophobicContact CD1-CG2 4.49Å
61	L	81.3	Confident	78.1	Confident	21 Å²	21	62.1 Å²	62.1	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.9	171.6	-55.5	100.1	0	0	0	109.7	R54 D56 V70 E72 F73	R54-L61 PolarHBondContact N-O 3.38Å; R54-L61 PolarHBondContact O-N 3.33Å; D56-L61 HydrophobicContact CB-CD1 3.71Å; L61-V70 HydrophobicContact CB-CG1 4.19Å; L61-V70 HydrophobicContact CD2-CG1 3.96Å; L61-V70 HydrophobicContact CD2-CG2 4.17Å; L61-E72 WeakPolarHBondContact CA-O 3.45Å; L61-F73 HydrophobicContact CD2-CD2 4.27Å; L61-F73 HydrophobicContact CG-CD2 3.93Å
62	I	81.6	Confident	77.6	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	113.8	174.5	-49.2	-57	0	0	0	108.2	C51 V53 I60 V70 V71 E72 F74 F119	C51-I62 HydrophobicContact CB-CG2 4Å; V53-I62 HydrophobicContact CG1-CD1 4.16Å; V53-I62 HydrophobicContact CG2-CD1 4.06Å; I60-I62 HydrophobicContact CG2-CD1 3.99Å; I62-V70 CarbonylContact O-C 3.58Å; I62-V70 WeakPolarHBondContact O-CA 3.22Å; I62-V71 HydrophobicContact CB-CG2 4.11Å; I62-V71 HydrophobicContact CG2-CG2 3.93Å; I62-V71 WeakPolarHBondContact O-CG2 3.41Å; I62-V71 PolarHBondContact O-N 3.29Å; I62-E72 HydrophobicContact CB-CB 4.13Å; I62-E72 HydrophobicContact CG1-CB 4Å; I62-E72 PolarHBondContact N-O 3.28Å; I62-F74 HydrophobicContact CD1-CE2 4.45Å; I62-F74 HydrophobicContact CG1-CD2 4.46Å; I62-F74 HydrophobicContact CG1-CE2 3.9Å; I62-F119 HydrophobicContact CD1-CE1 3.95Å; I62-F119 HydrophobicContact CD1-CE2 4.4Å; I62-F119 HydrophobicContact CD1-CZ 3.57Å; I62-F119 HydrophobicContact CG1-CZ 4.1Å; I62-F119 HydrophobicContact CG2-CE1 4.23Å
63	E	72.8	Confident	77.1	Confident	13 Å²	13	65.4 Å²	65.4	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.9	178.2	-72.7	165.7	-174.2	0	0	110.4	C51 K52 R54 E69 V70	C51-E63 CarbonylContact C-O 3.58Å; C51-E63 VanDerWaalsContact CA-O 3.26Å; C51-E63 WeakPolarHBondContact CA-O 3.45Å; C51-E63 WeakPolarHBondContact CB-O 3.32Å; K52-E63 HydrophobicContact CB-CB 4.13Å; K52-E63 VanDerWaalsContact CD-OE2 3.31Å; K52-E63 WeakPolarHBondContact CD-OE2 3.28Å; K52-E63 WeakPolarHBondContact CE-OE2 3.38Å; K52-E63 PolarHBondContact N-O 3.18Å; K52-E63 IonicContact NZ-OE2 3.15Å; K52-E63 PolarHBondContact NZ-OE2 2.96Å; K52-E63 PolarHBondContact O-N 3.14Å; R54-E63 IonicContact CZ-OE1 2.72Å; R54-E63 IonicContact NE-OE1 2.7Å; R54-E63 PolarHBondContact NE-OE1 2.87Å; R54-E63 IonicContact NE-OE2 2.7Å; R54-E63 IonicContact NH2-OE1 3.68Å; R54-E63 PolarHBondContact NH2-OE1 2.95Å; E63-E69 CarbonylContact C-O 3.58Å; E63-E69 WeakPolarHBondContact CA-O 3.45Å; E63-V70 HydrophobicContact CG-CB 4.48Å; E63-V70 HydrophobicContact CG-CG2 3.67Å
64	L	74.3	Confident	76.8	Confident	40 Å²	40	65.5 Å²	65.5	21%	0.209	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.2	174.3	-95.5	175	0	0	0	110.5	T49 S66 S67 E68 E69 V71	T49-L64 HydrophobicContact CG2-CD2 3.63Å; L64-S66 PolarHBondContact O-N 3.17Å; L64-S67 WeakPolarHBondContact CB-OG 3.21Å; L64-E68 VanDerWaalsContact O-CA 3.26Å; L64-E68 WeakPolarHBondContact O-CA 3.49Å; L64-E68 PolarHBondContact O-N 2.99Å; L64-E69 PolarHBondContact N-O 3.35Å; L64-V71 HydrophobicContact CB-CG1 4.42Å; L64-V71 HydrophobicContact CD1-CG1 3.5Å; L64-V71 VanDerWaalsContact CD1-CG1 3.5Å; L64-V71 HydrophobicContact CG-CG1 3.67Å; L64-V71 HydrophobicContact CG-CG2 4.47Å
65	R	74.2	Confident	76.5	Confident	148 Å²	148	68.5 Å²	68.5	56%	0.558	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-15.4	179.3	-169.1	174.5	177.2	179	-2.8	113.4	P50	P50-R65 HydrophobicContact CB-CB 4.04Å; P50-R65 WeakPolarHBondContact O-CB 3.43Å; P50-R65 PolarHBondContact O-N 3.43Å
66	S	68.9	Low	76.2	Confident	106 Å²	106	68.8 Å²	68.8	74%	0.741	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-34.1	-178.7	48.8	0	0	0	0	114.2	L64	L64-S66 PolarHBondContact O-N 3.17Å
67	S	71.6	Confident	76	Confident	61 Å²	61	70.9 Å²	70.9	43%	0.427	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-11.3	-176.7	56.5	0	0	0	0	114.5	L64 E69	L64-S67 WeakPolarHBondContact CB-OG 3.21Å; S67-E69 PolarHBondContact O-N 3.38Å; S67-E69 VanDerWaalsContact O-N 3.13Å; S67-E69 VanDerWaalsContact OG-CB 3.3Å; S67-E69 WeakPolarHBondContact OG-CB 3.46Å; S67-E69 PolarHBondContact OG-N 2.93Å
68	E	75.4	Confident	75.9	Confident	159 Å²	159	62.6 Å²	62.6	74%	0.743	32%	0.322	S	S	*	.			trans	55.9	13.9	-165.4	-54.5	-161.7	136.4	0	0	114.2	L64	L64-E68 VanDerWaalsContact O-CA 3.26Å; L64-E68 WeakPolarHBondContact O-CA 3.49Å; L64-E68 PolarHBondContact O-N 2.99Å
69	E	71	Confident	76	Confident	128 Å²	128	56.1 Å²	56.1	60%	0.598	29%	0.294	S	S	*	.			trans	-79.7	136.7	179.1	-171.9	169.5	-157.1	0	0	111.3	E63 L64 S67 V71	E63-E69 CarbonylContact C-O 3.58Å; E63-E69 WeakPolarHBondContact CA-O 3.45Å; L64-E69 PolarHBondContact N-O 3.35Å; S67-E69 PolarHBondContact O-N 3.38Å; S67-E69 VanDerWaalsContact O-N 3.13Å; S67-E69 VanDerWaalsContact OG-CB 3.3Å; S67-E69 WeakPolarHBondContact OG-CB 3.46Å; S67-E69 PolarHBondContact OG-N 2.93Å; E69-V71 PolarHBondContact O-N 3.23Å
70	V	74.3	Confident	75.2	Confident	61 Å²	61	58.5 Å²	58.5	37%	0.37	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	108.7	170.7	178.2	0	0	0	0	108.5	L61 I62 E63 E72	L61-V70 HydrophobicContact CB-CG1 4.19Å; L61-V70 HydrophobicContact CD2-CG1 3.96Å; L61-V70 HydrophobicContact CD2-CG2 4.17Å; I62-V70 CarbonylContact O-C 3.58Å; I62-V70 WeakPolarHBondContact O-CA 3.22Å; E63-V70 HydrophobicContact CG-CB 4.48Å; E63-V70 HydrophobicContact CG-CG2 3.67Å; V70-E72 WeakPolarHBondContact CG1-O 3.4Å
71	V	65.9	Low	74.1	Confident	75 Å²	75	61 Å²	61	46%	0.455	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-34.3	178.2	-69	0	0	0	0	112.9	I62 L64 E69	I62-V71 HydrophobicContact CB-CG2 4.11Å; I62-V71 HydrophobicContact CG2-CG2 3.93Å; I62-V71 WeakPolarHBondContact O-CG2 3.41Å; I62-V71 PolarHBondContact O-N 3.29Å; L64-V71 HydrophobicContact CB-CG1 4.42Å; L64-V71 HydrophobicContact CD1-CG1 3.5Å; L64-V71 VanDerWaalsContact CD1-CG1 3.5Å; L64-V71 HydrophobicContact CG-CG1 3.67Å; L64-V71 HydrophobicContact CG-CG2 4.47Å; E69-V71 PolarHBondContact O-N 3.23Å
72	E	72.6	Confident	72.9	Confident	68 Å²	68	63.6 Å²	63.6	32%	0.318	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	152.7	-177.2	-65.3	-174.2	139.6	0	0	112.1	L61 I62 V70 F74 H117	L61-E72 WeakPolarHBondContact CA-O 3.45Å; I62-E72 HydrophobicContact CB-CB 4.13Å; I62-E72 HydrophobicContact CG1-CB 4Å; I62-E72 PolarHBondContact N-O 3.28Å; V70-E72 WeakPolarHBondContact CG1-O 3.4Å; E72-F74 HydrophobicContact CB-CE2 3.9Å; E72-F74 HydrophobicContact CB-CZ 4.02Å; E72-F74 HydrophobicContact CG-CZ 4.47Å; E72-F74 WeakPolarHBondContact OE2-CZ 3.28Å; E72-H117 IonicContact OE1-CE1 3.94Å
73	F	76.3	Confident	71.5	Confident	82 Å²	82	64.2 Å²	64.2	36%	0.36	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	123.2	177.6	169.1	-117.3	0	0	0	111.1	K58 I60 L61 E75	K58-F73 HydrophobicContact CB-CE2 4.05Å; K58-F73 HydrophobicContact CB-CZ 3.68Å; K58-F73 HydrophobicContact CD-CZ 4.38Å; I60-F73 CarbonylContact O-C 3.48Å; I60-F73 WeakPolarHBondContact O-CA 3.28Å; I60-F73 WeakPolarHBondContact O-CD2 3.3Å; L61-F73 HydrophobicContact CD2-CD2 4.27Å; L61-F73 HydrophobicContact CG-CD2 3.93Å; F73-E75 HydrophobicContact CE1-CG 3.59Å; F73-E75 HydrophobicContact CZ-CG 3.73Å
74	F	79.8	Confident	70.4	Confident	4 Å²	4	65 Å²	65	2%	0.018	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	108.5	-179.7	-54.5	-77.1	0	0	0	110.5	G59 I60 I62 E72 I79 F100 C102 H117	G59-F74 CarbonylContact C-O 3.43Å; G59-F74 WeakPolarHBondContact CA-O 3.37Å; I60-F74 HydrophobicContact CB-CB 4.43Å; I60-F74 HydrophobicContact CB-CD2 4.5Å; I60-F74 PolarHBondContact N-O 2.66Å; I60-F74 PolarHBondContact O-N 2.92Å; I62-F74 HydrophobicContact CD1-CE2 4.45Å; I62-F74 HydrophobicContact CG1-CD2 4.46Å; I62-F74 HydrophobicContact CG1-CE2 3.9Å; E72-F74 HydrophobicContact CB-CE2 3.9Å; E72-F74 HydrophobicContact CB-CZ 4.02Å; E72-F74 HydrophobicContact CG-CZ 4.47Å; E72-F74 WeakPolarHBondContact OE2-CZ 3.28Å; F74-I79 HydrophobicContact CB-CD1 4.17Å; F74-I79 HydrophobicContact CB-CG1 4.2Å; F74-F100 HydrophobicContact CD1-CE2 4.42Å; F74-F100 AromaticContact CD2-CE2 3.91Å; F74-F100 HydrophobicContact CD2-CE2 3.91Å; F74-F100 AromaticContact CD2-CZ 3.72Å; F74-F100 HydrophobicContact CD2-CZ 3.72Å; F74-F100 HydrophobicContact CE2-CE2 4.11Å; F74-F100 AromaticContact CE2-CZ 3.76Å; F74-F100 HydrophobicContact CE2-CZ 3.76Å; F74-F100 HydrophobicContact CG-CE2 4.06Å; F74-F100 HydrophobicContact CG-CZ 4.34Å; F74-F100 HydrophobicContact CZ-CE2 4.45Å; F74-F100 HydrophobicContact CZ-CZ 4.42Å; F74-C102 HydrophobicContact CD1-CB 3.99Å; F74-C102 VanDerWaalsContact CD1-SG 3.55Å; F74-H117 AromaticContact CE1-CD2 3.97Å; F74-H117 AromaticContact CE1-CE1 3.7Å; F74-H117 AromaticContact CE1-NE2 3.46Å; F74-H117 WeakPolarHBondContact CE1-NE2 3.36Å; F74-H117 AromaticContact CZ-CE1 3.41Å; F74-H117 VanDerWaalsContact CZ-CE1 3.41Å; F74-H117 WeakPolarHBondContact CZ-CE1 3.4Å; F74-H117 AromaticContact CZ-ND1 3.7Å; F74-H117 AromaticContact CZ-NE2 3.63Å
75	E	79.6	Confident	69.6	Low	100 Å²	100	65.8 Å²	65.8	47%	0.467	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	147.5	175.9	-69.2	-163.4	164	0	0	112.8	K58 F73 S77 S78 I79	K58-E75 WeakPolarHBondContact O-CA 3.43Å; F73-E75 HydrophobicContact CE1-CG 3.59Å; F73-E75 HydrophobicContact CZ-CG 3.73Å; E75-S77 WeakPolarHBondContact CB-OG 3.5Å; E75-S77 PolarHBondContact O-N 3.39Å; E75-S77 PolarHBondContact OE2-OG 3.38Å; E75-S78 PolarHBondContact O-N 3.22Å; E75-S78 PolarHBondContact O-OG 3.29Å; E75-I79 PolarHBondContact O-N 3.47Å
76	W	81	Confident	68.8	Low	7 Å²	7	60.2 Å²	60.2	3%	0.027	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-16.8	171.4	-62.4	123.8	0	0	0	113.5	L55 D56 K58 G59 I60 I79 I134 Q137 K138 A141	L55-W76 HydrophobicContact CB-CH2 4.32Å; L55-W76 HydrophobicContact CB-CZ2 4.23Å; L55-W76 HydrophobicContact CD2-CH2 4.22Å; D56-W76 PolarHBondContact O-NE1 3.28Å; K58-W76 PolarHBondContact O-N 2.76Å; G59-W76 VanDerWaalsContact N-NE1 3.16Å; G59-W76 WeakPolarHBondContact O-CZ2 3.36Å; I60-W76 HydrophobicContact CD1-CH2 4.41Å; I60-W76 HydrophobicContact CD1-CZ3 4.14Å; I60-W76 HydrophobicContact CG1-CH2 3.7Å; I60-W76 HydrophobicContact CG1-CZ2 4.46Å; I60-W76 HydrophobicContact CG1-CZ3 3.75Å; W76-I79 HydrophobicContact CE3-CD1 3.81Å; W76-I79 HydrophobicContact CZ3-CD1 4.02Å; W76-I134 HydrophobicContact CZ3-CG2 4.25Å; W76-Q137 HydrophobicContact CH2-CB 4Å; W76-Q137 HydrophobicContact CH2-CG 4.24Å; W76-Q137 HydrophobicContact CZ2-CB 3.8Å; W76-Q137 HydrophobicContact CZ2-CG 3.53Å; W76-K138 HydrophobicContact CD2-CB 4.31Å; W76-K138 HydrophobicContact CE3-CB 3.67Å; W76-K138 HydrophobicContact CE3-CG 4.29Å; W76-K138 HydrophobicContact CZ3-CB 4.15Å; W76-A141 HydrophobicContact CB-CB 4.08Å; W76-A141 HydrophobicContact CG-CB 3.74Å
77	S	75.2	Confident	68.1	Low	77 Å²	77	64.1 Å²	64.1	54%	0.538	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-32.4	175.1	65.9	0	0	0	0	113.8	E75	E75-S77 WeakPolarHBondContact CB-OG 3.5Å; E75-S77 PolarHBondContact O-N 3.39Å; E75-S77 PolarHBondContact OE2-OG 3.38Å
78	S	76.9	Confident	67.3	Low	19 Å²	19	68.8 Å²	68.8	13%	0.133	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-29.7	-175.2	74.1	0	0	0	0	112.5	E75 S80 C102 S103	E75-S78 PolarHBondContact O-N 3.22Å; E75-S78 PolarHBondContact O-OG 3.29Å; S78-S80 PolarHBondContact O-N 3.45Å; S78-C102 CarbonylContact O-C 3.59Å; S78-C102 WeakPolarHBondContact O-CA 3.35Å; S78-S103 PolarHBondContact O-N 2.91Å
79	I	76	Confident	66.2	Low	5 Å²	5	63.2 Å²	63.2	3%	0.026	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-64.3	113.4	178.8	-62.7	161.5	0	0	0	109.5	I60 F74 E75 W76 R101 C102 K138	I60-I79 HydrophobicContact CD1-CD1 3.55Å; I60-I79 HydrophobicContact CG1-CD1 3.72Å; F74-I79 HydrophobicContact CB-CD1 4.17Å; F74-I79 HydrophobicContact CB-CG1 4.2Å; E75-I79 PolarHBondContact O-N 3.47Å; W76-I79 HydrophobicContact CE3-CD1 3.81Å; W76-I79 HydrophobicContact CZ3-CD1 4.02Å; I79-R101 CarbonylContact C-O 3.47Å; I79-R101 VanDerWaalsContact CA-O 3.3Å; I79-R101 WeakPolarHBondContact CA-O 3.32Å; I79-C102 HydrophobicContact CG1-CB 4.36Å; I79-K138 HydrophobicContact CG2-CD 4.48Å; I79-K138 WeakPolarHBondContact O-CE 3.25Å; I79-K138 PolarHBondContact O-NZ 3.21Å
80	S	66.9	Low	65.2	Low	50 Å²	50	66.4 Å²	66.4	35%	0.35	34%	0.34	S	S	.	.			trans	-88.9	-72	-177.4	57.2	0	0	0	0	111.3	S78 R101 K138	S78-S80 PolarHBondContact O-N 3.45Å; S80-R101 PolarHBondContact N-O 3.43Å; S80-R101 WeakPolarHBondContact OG-CB 3.34Å; S80-R101 PolarHBondContact OG-O 3.47Å; S80-K138 PolarHBondContact O-NZ 3.16Å
81	D	61.3	Low	64.1	Low	53 Å²	53	68 Å²	68	28%	0.283	35%	0.346	S	S	.	.	S	Bend	trans	-96.9	148.9	-179.3	-67.2	-26.7	0	0	0	113.4	K27 R101	K27-D81 WeakPolarHBondContact CE-OD2 3.38Å; K27-D81 IonicContact NZ-OD1 3.09Å; K27-D81 IonicContact NZ-OD2 2.62Å; K27-D81 PolarHBondContact NZ-OD2 3.18Å; D81-R101 HydrophobicContact CB-CB 4.17Å; D81-R101 HydrophobicContact CB-CG 4.34Å; D81-R101 PolarHBondContact O-N 2.88Å; D81-R101 WeakPolarHBondContact OD2-CD 3.21Å; D81-R101 IonicContact OD2-CZ 2.86Å; D81-R101 IonicContact OD2-NE 3.8Å; D81-R101 IonicContact OD2-NH1 3.8Å; D81-R101 PolarHBondContact OD2-NH1 3.03Å
82	Q	56	Low	63.5	Low	75 Å²	75	65 Å²	65	35%	0.35	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-92.9	165	178	-70.6	155.6	-26.8	0	0	111.8	Y135	Q82-Y135 VanDerWaalsContact CD-CD2 3.49Å; Q82-Y135 VanDerWaalsContact NE2-CD2 3.25Å; Q82-Y135 VanDerWaalsContact OE1-CD2 3.31Å
83	A	50.9	Low	62.6	Low	18 Å²	18	68.6 Å²	68.6	15%	0.149	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-80.5	140.4	-155.9	0	0	0	0	0	116.1	I98 L99 V131	A83-I98 HydrophobicContact CB-CG2 3.71Å; A83-L99 WeakPolarHBondContact CA-O 3.15Å; A83-L99 WeakPolarHBondContact CB-O 3.48Å; A83-V131 HydrophobicContact CB-CB 4.24Å; A83-V131 HydrophobicContact CB-CG1 3.95Å; A83-V131 HydrophobicContact CB-CG2 3.49Å; A83-V131 VanDerWaalsContact CB-CG2 3.49Å
84	A	51.1	Low	61.5	Low	30 Å²	30	70.1 Å²	70.1	25%	0.248	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-92.2	138.1	164.9	0	0	0	0	0	109.9	F86 L99	A84-F86 HydrophobicContact CB-CE2 3.86Å; A84-F86 HydrophobicContact CB-CZ 3.84Å; A84-L99 HydrophobicContact CB-CD1 4.47Å; A84-L99 HydrophobicContact CB-CD2 4.46Å; A84-L99 HydrophobicContact CB-CG 4.23Å
85	I	55.9	Low	60.7	Low	55 Å²	55	70.6 Å²	70.6	28%	0.282	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.6	174.9	-57.8	173.1	0	0	0	108.3	Y96 L97 A127 K128 V131	I85-Y96 HydrophobicContact CG2-CD1 4.06Å; I85-L97 VanDerWaalsContact CA-O 3.3Å; I85-L97 WeakPolarHBondContact CA-O 3.08Å; I85-A127 HydrophobicContact CD1-CB 4.41Å; I85-A127 HydrophobicContact CG2-CB 4.3Å; I85-K128 HydrophobicContact CD1-CB 3.97Å; I85-V131 HydrophobicContact CD1-CG2 4.03Å; I85-V131 HydrophobicContact CG1-CG2 3.85Å
86	F	57.9	Low	60.5	Low	31 Å²	31	69.1 Å²	69.1	14%	0.136	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	144.9	177.2	-50.9	-96.1	0	0	0	111.5	P30 V34 A84 L97 L99	P30-F86 HydrophobicContact CB-CE1 3.7Å; P30-F86 HydrophobicContact CB-CZ 3.66Å; V34-F86 HydrophobicContact CG2-CB 4.44Å; V34-F86 HydrophobicContact CG2-CD1 3.48Å; V34-F86 VanDerWaalsContact CG2-CD1 3.48Å; V34-F86 HydrophobicContact CG2-CD2 4.25Å; V34-F86 HydrophobicContact CG2-CE1 3.6Å; V34-F86 HydrophobicContact CG2-CE2 4.36Å; V34-F86 HydrophobicContact CG2-CG 3.8Å; V34-F86 HydrophobicContact CG2-CZ 4.03Å; A84-F86 HydrophobicContact CB-CE2 3.86Å; A84-F86 HydrophobicContact CB-CZ 3.84Å; F86-L97 HydrophobicContact CB-CB 4.14Å; F86-L97 HydrophobicContact CD2-CB 3.89Å; F86-L97 HydrophobicContact CG-CB 4.46Å; F86-L97 PolarHBondContact N-O 2.97Å; F86-L97 PolarHBondContact O-N 2.85Å; F86-L99 HydrophobicContact CE2-CD2 3.7Å; F86-L99 HydrophobicContact CE2-CG 4.05Å; F86-L99 HydrophobicContact CZ-CD2 3.69Å; F86-L99 HydrophobicContact CZ-CG 4.46Å
87	K	55	Low	60.3	Low	188 Å²	188	69.6 Å²	69.6	82%	0.817	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-77.5	138.6	175.6	-167.2	-177.8	-179.4	-169.9	0	109.6	S89	K87-S89 PolarHBondContact O-N 2.91Å
88	R	53.7	Low	60.5	Low	160 Å²	160	66 Å²	66	60%	0.604	32%	0.323	S	S	*	.			trans	-34	119.3	173.3	-178.1	176.4	-166.8	158.5	9.4	113.5
89	S	52.4	Low	60.7	Low	41 Å²	41	65.3 Å²	65.3	29%	0.287	32%	0.317	S	S	.	.			trans	-78.9	156.6	157.1	-136.9	0	0	0	0	109.2	N38 K87 D91	N38-S89 PolarHBondContact ND2-OG 3.16Å; K87-S89 PolarHBondContact O-N 2.91Å; S89-D91 PolarHBondContact O-N 3.38Å; S89-D91 PolarHBondContact OG-OD2 3.49Å
90	E	51.2	Low	60.9	Low	196 Å²	196	65.2 Å²	65.2	92%	0.916	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-21.5	-177.1	-62.4	-175.3	158.1	0	0	112.3
91	D	51	Low	61.6	Low	93 Å²	93	63.7 Å²	63.7	50%	0.497	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-30.3	-176.1	-41.4	-87.9	0	0	0	113.9	H41 S89	H41-D91 PolarHBondContact NE2-O 3.49Å; S89-D91 PolarHBondContact O-N 3.38Å; S89-D91 PolarHBondContact OG-OD2 3.49Å
92	F	53.4	Low	62.3	Low	12 Å²	12	61.2 Å²	61.2	5%	0.053	29%	0.29	C	S	.	.			trans	-96	128.3	-175.3	-54.3	-88.6	0	0	0	111.1	I37 N38 H41 I46 Y94	I37-F92 HydrophobicContact CG2-CE1 3.69Å; I37-F92 HydrophobicContact CG2-CZ 3.54Å; N38-F92 WeakPolarHBondContact OD1-CE2 3.23Å; H41-F92 HydrophobicContact CB-CE1 3.72Å; H41-F92 HydrophobicContact CB-CZ 3.85Å; H41-F92 AromaticContact CE1-CD1 3.8Å; H41-F92 AromaticContact CE1-CE1 3.96Å; H41-F92 AromaticContact CG-CE1 3.49Å; H41-F92 VanDerWaalsContact CG-CE1 3.49Å; H41-F92 AromaticContact CG-CZ 4Å; H41-F92 AromaticContact ND1-CD1 3.65Å; H41-F92 AromaticContact ND1-CE1 3.33Å; H41-F92 VanDerWaalsContact ND1-CE1 3.33Å; H41-F92 WeakPolarHBondContact ND1-CE1 3.2Å; I46-F92 HydrophobicContact CD1-CE1 4.48Å; F92-Y94 PolarHBondContact O-N 2.94Å
93	Q	53	Low	63.2	Low	145 Å²	145	58.4 Å²	58.4	68%	0.678	28%	0.278	S	S	*	.	S	Bend	trans	-69	-25.9	175.7	-67.4	-168.9	0.3	0	0	112.2
94	Y	52.8	Low	63.9	Low	113 Å²	113	61.2 Å²	61.2	44%	0.443	29%	0.288	S	S	.	.	S	Bend	trans	-119.5	101.6	-168.3	-56.3	-71.6	0	0	0	114.3	E48 F92 S120	E48-Y94 WeakPolarHBondContact OE2-CD2 3.28Å; F92-Y94 PolarHBondContact O-N 2.94Å; Y94-S120 VanDerWaalsContact O-CB 3.22Å; Y94-S120 WeakPolarHBondContact O-CB 3.36Å; Y94-S120 PolarHBondContact O-OG 2.89Å
95	G	63	Low	64.5	Low	15 Å²	15	67.1 Å²	67.1	16%	0.155	31%	0.306	C	S	.	.			trans	88.7	-164.4	141.9	0	0	0	0	0	119.6	C121	G95-C121 CarbonylContact C-O 3.56Å; G95-C121 WeakPolarHBondContact CA-O 3.22Å
96	Y	75.2	Confident	64.7	Low	69 Å²	69	66.3 Å²	66.3	27%	0.271	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.4	175.9	-70.7	-101.7	0	0	0	108.7	I85 S120 C121 T123 K124	I85-Y96 HydrophobicContact CG2-CD1 4.06Å; Y96-S120 WeakPolarHBondContact O-CA 3.28Å; Y96-C121 PolarHBondContact N-O 3.35Å; Y96-C121 PolarHBondContact O-N 3.48Å; Y96-T123 VanDerWaalsContact CD2-C 3.44Å; Y96-K124 HydrophobicContact CD1-CB 4.23Å; Y96-K124 HydrophobicContact CD1-CG 4.28Å; Y96-K124 HydrophobicContact CD2-CB 4.32Å; Y96-K124 VanDerWaalsContact CD2-N 3.33Å; Y96-K124 HydrophobicContact CE1-CB 3.77Å; Y96-K124 HydrophobicContact CE1-CD 4.38Å; Y96-K124 HydrophobicContact CE1-CG 3.89Å; Y96-K124 HydrophobicContact CE2-CB 3.89Å; Y96-K124 VanDerWaalsContact CE2-N 3.28Å; Y96-K124 HydrophobicContact CG-CB 4.48Å
97	L	76.7	Confident	64.2	Low	16 Å²	16	68.4 Å²	68.4	8%	0.084	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	143.5	-179.2	-60.9	173.9	0	0	0	111.5	I18 I37 I85 F86 V118 F119	I18-L97 HydrophobicContact CG1-CD2 4.04Å; I37-L97 HydrophobicContact CD1-CD1 4.34Å; I85-L97 VanDerWaalsContact CA-O 3.3Å; I85-L97 WeakPolarHBondContact CA-O 3.08Å; F86-L97 HydrophobicContact CB-CB 4.14Å; F86-L97 HydrophobicContact CD2-CB 3.89Å; F86-L97 HydrophobicContact CG-CB 4.46Å; F86-L97 PolarHBondContact N-O 2.97Å; F86-L97 PolarHBondContact O-N 2.85Å; L97-V118 HydrophobicContact CD2-CG1 4.44Å; L97-F119 CarbonylContact C-O 3.48Å; L97-F119 WeakPolarHBondContact CA-O 3.43Å
98	I	79.8	Confident	63.7	Low	3 Å²	3	64.8 Å²	64.8	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.1	177.8	-58.5	172.4	0	0	0	106.6	A83 V118 F119 C121 A127 L130 V131	A83-I98 HydrophobicContact CB-CG2 3.71Å; I98-V118 WeakPolarHBondContact O-CA 3.34Å; I98-F119 PolarHBondContact N-O 2.83Å; I98-F119 PolarHBondContact O-N 3.37Å; I98-C121 HydrophobicContact CD1-CB 4.11Å; I98-C121 VanDerWaalsContact CD1-SG 3.52Å; I98-A127 HydrophobicContact CD1-CB 3.77Å; I98-A127 HydrophobicContact CG1-CB 3.97Å; I98-L130 HydrophobicContact CD1-CB 4.36Å; I98-L130 HydrophobicContact CD1-CD2 3.74Å; I98-L130 HydrophobicContact CD1-CG 4.28Å; I98-V131 HydrophobicContact CG2-CG2 4.29Å
99	L	80.9	Confident	63.7	Low	3 Å²	3	61 Å²	61	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	153.6	167.3	64.2	76.2	0	0	0	111.1	V33 A83 A84 F86 V116 H117 V118	V33-L99 HydrophobicContact CB-CD2 4.49Å; V33-L99 HydrophobicContact CG1-CD2 4.4Å; V33-L99 HydrophobicContact CG2-CD2 4.43Å; A83-L99 WeakPolarHBondContact CA-O 3.15Å; A83-L99 WeakPolarHBondContact CB-O 3.48Å; A84-L99 HydrophobicContact CB-CD1 4.47Å; A84-L99 HydrophobicContact CB-CD2 4.46Å; A84-L99 HydrophobicContact CB-CG 4.23Å; F86-L99 HydrophobicContact CE2-CD2 3.7Å; F86-L99 HydrophobicContact CE2-CG 4.05Å; F86-L99 HydrophobicContact CZ-CD2 3.69Å; F86-L99 HydrophobicContact CZ-CG 4.46Å; L99-V116 HydrophobicContact CB-CG1 3.91Å; L99-V116 HydrophobicContact CD2-CG1 4.35Å; L99-H117 CarbonylContact C-O 3.54Å; L99-H117 VanDerWaalsContact CA-O 3.27Å; L99-H117 WeakPolarHBondContact CA-O 3.34Å; L99-V118 HydrophobicContact CB-CG2 4.16Å
100	F	80.9	Confident	63.6	Low	4 Å²	4	61.2 Å²	61.2	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.4	157	61.7	-102.4	0	0	0	110.4	I60 F74 V116 H117 F119	I60-F100 HydrophobicContact CD1-CE1 4.37Å; F74-F100 HydrophobicContact CD1-CE2 4.42Å; F74-F100 AromaticContact CD2-CE2 3.91Å; F74-F100 HydrophobicContact CD2-CE2 3.91Å; F74-F100 AromaticContact CD2-CZ 3.72Å; F74-F100 HydrophobicContact CD2-CZ 3.72Å; F74-F100 HydrophobicContact CE2-CE2 4.11Å; F74-F100 AromaticContact CE2-CZ 3.76Å; F74-F100 HydrophobicContact CE2-CZ 3.76Å; F74-F100 HydrophobicContact CG-CE2 4.06Å; F74-F100 HydrophobicContact CG-CZ 4.34Å; F74-F100 HydrophobicContact CZ-CE2 4.45Å; F74-F100 HydrophobicContact CZ-CZ 4.42Å; F100-V116 WeakPolarHBondContact O-CA 3.4Å; F100-H117 HydrophobicContact CD2-CB 4.26Å; F100-H117 HydrophobicContact CE1-CB 4.24Å; F100-H117 HydrophobicContact CE2-CB 3.8Å; F100-H117 HydrophobicContact CZ-CB 3.78Å; F100-H117 PolarHBondContact N-O 3.12Å; F100-H117 PolarHBondContact O-N 3.23Å; F100-F119 HydrophobicContact CD1-CE2 4.34Å; F100-F119 AromaticContact CE1-CD2 3.97Å; F100-F119 HydrophobicContact CE1-CD2 3.97Å; F100-F119 AromaticContact CE1-CE2 3.44Å; F100-F119 HydrophobicContact CE1-CE2 3.44Å; F100-F119 VanDerWaalsContact CE1-CE2 3.44Å; F100-F119 HydrophobicContact CE1-CZ 4.38Å; F100-F119 AromaticContact CZ-CE2 3.89Å; F100-F119 HydrophobicContact CZ-CE2 3.89Å
101	R	80.6	Confident	64.1	Low	18 Å²	18	56 Å²	56	7%	0.068	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.2	171.9	-70	-171.6	-174.1	77.6	17.3	110.3	E23 K27 L28 I79 S80 D81 E115 V116	E23-R101 IonicContact OE1-CZ 2.7Å; E23-R101 IonicContact OE1-NE 2.69Å; E23-R101 PolarHBondContact OE1-NE 3.09Å; E23-R101 IonicContact OE1-NH2 2.95Å; E23-R101 WeakPolarHBondContact OE2-CD 3.26Å; E23-R101 IonicContact OE2-NE 2.72Å; E23-R101 PolarHBondContact OE2-NE 3.09Å; K27-R101 VanDerWaalsContact CE-NE 3.28Å; L28-R101 PolarHBondContact O-NH2 3.37Å; I79-R101 CarbonylContact C-O 3.47Å; I79-R101 VanDerWaalsContact CA-O 3.3Å; I79-R101 WeakPolarHBondContact CA-O 3.32Å; S80-R101 PolarHBondContact N-O 3.43Å; S80-R101 WeakPolarHBondContact OG-CB 3.34Å; S80-R101 PolarHBondContact OG-O 3.47Å; D81-R101 HydrophobicContact CB-CB 4.17Å; D81-R101 HydrophobicContact CB-CG 4.34Å; D81-R101 PolarHBondContact O-N 2.88Å; D81-R101 WeakPolarHBondContact OD2-CD 3.21Å; D81-R101 IonicContact OD2-CZ 2.86Å; D81-R101 IonicContact OD2-NE 3.8Å; D81-R101 IonicContact OD2-NH1 3.8Å; D81-R101 PolarHBondContact OD2-NH1 3.03Å; R101-E115 VanDerWaalsContact CA-O 3.26Å; R101-E115 WeakPolarHBondContact CA-O 3.38Å; R101-V116 HydrophobicContact CG-CG2 4.01Å
102	C	77.6	Confident	64.7	Low	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	154.6	161.6	67.5	0	0	0	0	109.3	F74 S78 I79 E115 H117	F74-C102 HydrophobicContact CD1-CB 3.99Å; F74-C102 VanDerWaalsContact CD1-SG 3.55Å; S78-C102 CarbonylContact O-C 3.59Å; S78-C102 WeakPolarHBondContact O-CA 3.35Å; I79-C102 HydrophobicContact CG1-CB 4.36Å; C102-E115 PolarHBondContact N-O 2.89Å; C102-E115 PolarHBondContact O-N 3.43Å; C102-E115 PolarHBondContact SG-OE2 3.49Å; C102-E115 VanDerWaalsContact SG-OE2 3.39Å; C102-H117 PolarHBondContact SG-CD2 2.77Å
103	S	74.6	Confident	65.4	Low	16 Å²	16	59.1 Å²	59.1	11%	0.112	30%	0.298	C	S	.	.			trans	-131.6	97.1	-178.3	176.6	0	0	0	0	108.6	S78 K112 E113	S78-S103 PolarHBondContact O-N 2.91Å; S103-K112 WeakPolarHBondContact O-CE 3.41Å; S103-K112 VanDerWaalsContact OG-CD 3.27Å; S103-K112 WeakPolarHBondContact OG-CD 3.14Å; S103-K112 WeakPolarHBondContact OG-CE 3.29Å; S103-K112 WeakPolarHBondContact OG-CG 3.31Å; S103-K112 PolarHBondContact OG-NZ 2.96Å; S103-K112 VanDerWaalsContact OG-NZ 3.07Å; S103-E113 CarbonylContact C-O 3.45Å; S103-E113 WeakPolarHBondContact CA-O 3.32Å; S103-E113 WeakPolarHBondContact CB-O 3.47Å; S103-E113 PolarHBondContact OG-O 2.98Å
104	Q	65.2	Low	66.3	Low	77 Å²	77	53.5 Å²	53.5	36%	0.36	27%	0.274	S	S	.	.			trans	-86.7	147.3	-175.2	-51.3	-150.6	63.1	0	0	110	N106 K112 E113 E115	Q104-N106 PolarHBondContact O-N 3.24Å; Q104-K112 CarbonylContact O-C 3.48Å; Q104-K112 WeakPolarHBondContact O-CA 3.33Å; Q104-K112 WeakPolarHBondContact O-CG 3.13Å; Q104-E113 PolarHBondContact N-O 2.91Å; Q104-E113 PolarHBondContact O-N 2.89Å; Q104-E115 VanDerWaalsContact NE2-CD 3.34Å; Q104-E115 PolarHBondContact NE2-OE1 3.32Å; Q104-E115 VanDerWaalsContact NE2-OE1 3.07Å; Q104-E115 PolarHBondContact NE2-OE2 3.03Å
105	Y	63.6	Low	67.4	Low	155 Å²	155	49.4 Å²	49.4	61%	0.608	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	105.7	171.8	-179.1	-108.2	0	0	0	108.9	A107	Y105-A107 HydrophobicContact CD1-CB 4.15Å; Y105-A107 HydrophobicContact CE1-CB 3.98Å; Y105-A107 PolarHBondContact O-N 3.32Å
106	N	60.4	Low	68.2	Low	38 Å²	38	48.7 Å²	48.7	20%	0.203	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	96	173.5	-173.5	-35.9	0	0	0	108.2	Q104 E108 L109 G110 I111 E113	Q104-N106 PolarHBondContact O-N 3.24Å; N106-E108 PolarHBondContact O-N 3.1Å; N106-E108 WeakPolarHBondContact OD1-CA 3.36Å; N106-E108 VanDerWaalsContact OD1-CB 3.24Å; N106-E108 WeakPolarHBondContact OD1-CB 3.48Å; N106-E108 PolarHBondContact OD1-N 3.1Å; N106-L109 HydrophobicContact CB-CB 4.41Å; N106-L109 PolarHBondContact O-N 3.39Å; N106-L109 PolarHBondContact OD1-N 3.33Å; N106-G110 WeakPolarHBondContact O-CA 3.39Å; N106-G110 PolarHBondContact O-N 2.99Å; N106-I111 WeakPolarHBondContact CB-O 3.43Å; N106-I111 PolarHBondContact N-O 2.73Å; N106-I111 PolarHBondContact O-N 2.63Å; N106-E113 HydrophobicContact CB-CG 4.04Å; N106-E113 VanDerWaalsContact CB-OE2 3.3Å; N106-E113 WeakPolarHBondContact CB-OE2 3.29Å; N106-E113 PolarHBondContact ND2-OE2 2.84Å
107	A	47.4	Very low	68.4	Low	75 Å²	75	45.6 Å²	45.6	62%	0.62	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.7	180	0	0	0	0	0	113.4	Y105	Y105-A107 HydrophobicContact CD1-CB 4.15Å; Y105-A107 HydrophobicContact CE1-CB 3.98Å; Y105-A107 PolarHBondContact O-N 3.32Å
108	E	44.7	Very low	68.5	Low	111 Å²	111	44.9 Å²	44.9	52%	0.519	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-42	179.2	-48.5	-146.8	121.3	0	0	111.1	N106 Y500	N106-E108 PolarHBondContact O-N 3.1Å; N106-E108 WeakPolarHBondContact OD1-CA 3.36Å; N106-E108 VanDerWaalsContact OD1-CB 3.24Å; N106-E108 WeakPolarHBondContact OD1-CB 3.48Å; N106-E108 PolarHBondContact OD1-N 3.1Å; E108-Y500 VanDerWaalsContact CA-CE2 3.48Å; E108-Y500 HydrophobicContact CB-CD1 4.35Å; E108-Y500 HydrophobicContact CB-CD2 3.98Å; E108-Y500 HydrophobicContact CB-CE1 3.87Å; E108-Y500 HydrophobicContact CB-CE2 3.51Å; E108-Y500 HydrophobicContact CB-CG 4.39Å; E108-Y500 VanDerWaalsContact CB-CZ 3.41Å; E108-Y500 VanDerWaalsContact CD-CZ 3.43Å; E108-Y500 VanDerWaalsContact CD-OH 3.24Å; E108-Y500 HydrophobicContact CG-CE1 4Å; E108-Y500 HydrophobicContact CG-CE2 4.24Å; E108-Y500 WeakPolarHBondContact CG-OH 3.45Å; E108-Y500 WeakPolarHBondContact O-CD2 3.46Å; E108-Y500 WeakPolarHBondContact O-CE2 3.18Å; E108-Y500 WeakPolarHBondContact OE1-CE1 3.3Å; E108-Y500 VanDerWaalsContact OE1-CZ 3.24Å; E108-Y500 PolarHBondContact OE1-OH 3.4Å
109	L	52.7	Low	68.7	Low	82 Å²	82	45 Å²	45	43%	0.429	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-13	176.1	-63.9	179	0	0	0	113.5	N106 I111	N106-L109 HydrophobicContact CB-CB 4.41Å; N106-L109 PolarHBondContact O-N 3.39Å; N106-L109 PolarHBondContact OD1-N 3.33Å; L109-I111 HydrophobicContact CB-CB 4.25Å; L109-I111 HydrophobicContact CB-CD1 4.45Å; L109-I111 PolarHBondContact O-N 3.03Å
110	G	51.1	Low	68.7	Low	44 Å²	44	44.8 Å²	44.8	45%	0.454	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	9.7	-172	0	0	0	0	0	113.9	N106	N106-G110 WeakPolarHBondContact O-CA 3.39Å; N106-G110 PolarHBondContact O-N 2.99Å
111	I	61.4	Low	68.7	Low	88 Å²	88	44.7 Å²	44.7	45%	0.451	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.8	-171.9	-69.8	167.3	0	0	0	108.9	N106 L109 E113	N106-I111 WeakPolarHBondContact CB-O 3.43Å; N106-I111 PolarHBondContact N-O 2.73Å; N106-I111 PolarHBondContact O-N 2.63Å; L109-I111 HydrophobicContact CB-CB 4.25Å; L109-I111 HydrophobicContact CB-CD1 4.45Å; L109-I111 PolarHBondContact O-N 3.03Å; I111-E113 HydrophobicContact CG2-CG 4.48Å; I111-E113 PolarHBondContact O-N 3.44Å
112	K	64.4	Low	68.5	Low	125 Å²	125	49.1 Å²	49.1	54%	0.543	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	107.8	170.1	-156.3	-169.3	-172.8	-145.4	0	108.9	S103 Q104	S103-K112 WeakPolarHBondContact O-CE 3.41Å; S103-K112 VanDerWaalsContact OG-CD 3.27Å; S103-K112 WeakPolarHBondContact OG-CD 3.14Å; S103-K112 WeakPolarHBondContact OG-CE 3.29Å; S103-K112 WeakPolarHBondContact OG-CG 3.31Å; S103-K112 PolarHBondContact OG-NZ 2.96Å; S103-K112 VanDerWaalsContact OG-NZ 3.07Å; Q104-K112 CarbonylContact O-C 3.48Å; Q104-K112 WeakPolarHBondContact O-CA 3.33Å; Q104-K112 WeakPolarHBondContact O-CG 3.13Å
113	E	67.1	Low	68.5	Low	44 Å²	44	51.9 Å²	51.9	21%	0.206	27%	0.274	C	S	.	.			trans	-80.5	164.5	177.1	-64.7	-174.6	126.4	0	0	109.9	S103 Q104 N106 I111	S103-E113 CarbonylContact C-O 3.45Å; S103-E113 WeakPolarHBondContact CA-O 3.32Å; S103-E113 WeakPolarHBondContact CB-O 3.47Å; S103-E113 PolarHBondContact OG-O 2.98Å; Q104-E113 PolarHBondContact N-O 2.91Å; Q104-E113 PolarHBondContact O-N 2.89Å; N106-E113 HydrophobicContact CB-CG 4.04Å; N106-E113 VanDerWaalsContact CB-OE2 3.3Å; N106-E113 WeakPolarHBondContact CB-OE2 3.29Å; N106-E113 PolarHBondContact ND2-OE2 2.84Å; I111-E113 HydrophobicContact CG2-CG 4.48Å; I111-E113 PolarHBondContact O-N 3.44Å
114	S	72.7	Confident	68.5	Low	27 Å²	27	55 Å²	55	19%	0.189	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.2	176.8	-170.6	0	0	0	0	107.5	E23	E23-S114 WeakPolarHBondContact CB-O 3.34Å; E23-S114 PolarHBondContact N-O 2.95Å; E23-S114 WeakPolarHBondContact OE2-CB 3.41Å; E23-S114 PolarHBondContact OE2-OG 2.87Å
115	E	75.7	Confident	69	Low	28 Å²	28	56.4 Å²	56.4	13%	0.131	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.8	-172.1	-65.7	164	-160.9	0	0	109.2	F21 R101 C102 Q104 H117	F21-E115 CarbonylContact O-C 3.57Å; F21-E115 VanDerWaalsContact O-CA 3.3Å; F21-E115 WeakPolarHBondContact O-CA 3.5Å; R101-E115 VanDerWaalsContact CA-O 3.26Å; R101-E115 WeakPolarHBondContact CA-O 3.38Å; C102-E115 PolarHBondContact N-O 2.89Å; C102-E115 PolarHBondContact O-N 3.43Å; C102-E115 PolarHBondContact SG-OE2 3.49Å; C102-E115 VanDerWaalsContact SG-OE2 3.39Å; Q104-E115 VanDerWaalsContact NE2-CD 3.34Å; Q104-E115 PolarHBondContact NE2-OE1 3.32Å; Q104-E115 VanDerWaalsContact NE2-OE1 3.07Å; Q104-E115 PolarHBondContact NE2-OE2 3.03Å; E115-H117 IonicContact OE2-CD2 4Å; E115-H117 IonicContact OE2-CE1 3.68Å; E115-H117 IonicContact OE2-NE2 3.7Å; E115-H117 PolarHBondContact OE2-NE2 3.03Å
116	V	78.8	Confident	69.8	Low	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	110.5	168.3	-175.6	0	0	0	0	108.2	S20 F21 E23 L28 V33 L99 F100 R101 V118	S20-V116 CarbonylContact C-O 3.54Å; S20-V116 WeakPolarHBondContact CA-O 3.43Å; F21-V116 HydrophobicContact CB-CB 4.42Å; F21-V116 PolarHBondContact N-O 3.09Å; F21-V116 PolarHBondContact O-N 3.33Å; E23-V116 HydrophobicContact CG-CG2 3.71Å; E23-V116 WeakPolarHBondContact OE1-CG2 3.48Å; L28-V116 HydrophobicContact CB-CG2 4.34Å; L28-V116 HydrophobicContact CD1-CG2 4.37Å; V33-V116 HydrophobicContact CG1-CG1 4.3Å; V33-V116 HydrophobicContact CG2-CG1 4.04Å; L99-V116 HydrophobicContact CB-CG1 3.91Å; L99-V116 HydrophobicContact CD2-CG1 4.35Å; F100-V116 WeakPolarHBondContact O-CA 3.4Å; R101-V116 HydrophobicContact CG-CG2 4.01Å; V116-V118 HydrophobicContact CG1-CG2 3.97Å
117	H	79.3	Confident	70.7	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.019	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.7	172.9	-69	-96.3	0	0	0	109.7	S20 E72 F74 L99 F100 C102 E115 F119	S20-H117 PolarHBondContact OG-CE1 3.13Å; S20-H117 PolarHBondContact OG-ND1 3.08Å; E72-H117 IonicContact OE1-CE1 3.94Å; F74-H117 AromaticContact CE1-CD2 3.97Å; F74-H117 AromaticContact CE1-CE1 3.7Å; F74-H117 AromaticContact CE1-NE2 3.46Å; F74-H117 WeakPolarHBondContact CE1-NE2 3.36Å; F74-H117 AromaticContact CZ-CE1 3.41Å; F74-H117 VanDerWaalsContact CZ-CE1 3.41Å; F74-H117 WeakPolarHBondContact CZ-CE1 3.4Å; F74-H117 AromaticContact CZ-ND1 3.7Å; F74-H117 AromaticContact CZ-NE2 3.63Å; L99-H117 CarbonylContact C-O 3.54Å; L99-H117 VanDerWaalsContact CA-O 3.27Å; L99-H117 WeakPolarHBondContact CA-O 3.34Å; F100-H117 HydrophobicContact CD2-CB 4.26Å; F100-H117 HydrophobicContact CE1-CB 4.24Å; F100-H117 HydrophobicContact CE2-CB 3.8Å; F100-H117 HydrophobicContact CZ-CB 3.78Å; F100-H117 PolarHBondContact N-O 3.12Å; F100-H117 PolarHBondContact O-N 3.23Å; C102-H117 PolarHBondContact SG-CD2 2.77Å; E115-H117 IonicContact OE2-CD2 4Å; E115-H117 IonicContact OE2-CE1 3.68Å; E115-H117 IonicContact OE2-NE2 3.7Å; E115-H117 PolarHBondContact OE2-NE2 3.03Å; H117-F119 HydrophobicContact CB-CE2 3.95Å
118	V	80.3	Confident	72.1	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.8	-173	-167.8	0	0	0	0	112	I18 A19 F21 V33 I37 L97 I98 L99 V116	I18-V118 PolarHBondContact N-O 3.28Å; A19-V118 PolarHBondContact N-O 2.71Å; A19-V118 PolarHBondContact O-N 3.15Å; F21-V118 HydrophobicContact CD2-CG2 4.29Å; F21-V118 HydrophobicContact CE2-CG2 4.15Å; V33-V118 HydrophobicContact CG1-CG2 3.69Å; I37-V118 HydrophobicContact CD1-CB 4.25Å; I37-V118 HydrophobicContact CD1-CG1 3.74Å; I37-V118 HydrophobicContact CD1-CG2 4.23Å; L97-V118 HydrophobicContact CD2-CG1 4.44Å; I98-V118 WeakPolarHBondContact O-CA 3.34Å; L99-V118 HydrophobicContact CB-CG2 4.16Å; V116-V118 HydrophobicContact CG1-CG2 3.97Å
119	F	82.4	Confident	73.8	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	156.5	-177.4	-63.7	-94.5	0	0	0	111.1	A15 H16 H17 V53 I62 L97 I98 F100 H117	A15-F119 HydrophobicContact CB-CB 4.2Å; A15-F119 HydrophobicContact CB-CD1 4.27Å; H16-F119 CarbonylContact O-C 3.57Å; H16-F119 WeakPolarHBondContact O-CA 3.32Å; H17-F119 HydrophobicContact CB-CD1 4.01Å; H17-F119 HydrophobicContact CB-CE1 3.81Å; H17-F119 AromaticContact CD2-CE1 3.79Å; H17-F119 AromaticContact CD2-CZ 3.78Å; V53-F119 HydrophobicContact CG2-CD1 4.3Å; V53-F119 HydrophobicContact CG2-CE1 4.38Å; I62-F119 HydrophobicContact CD1-CE1 3.95Å; I62-F119 HydrophobicContact CD1-CE2 4.4Å; I62-F119 HydrophobicContact CD1-CZ 3.57Å; I62-F119 HydrophobicContact CG1-CZ 4.1Å; I62-F119 HydrophobicContact CG2-CE1 4.23Å; L97-F119 CarbonylContact C-O 3.48Å; L97-F119 WeakPolarHBondContact CA-O 3.43Å; I98-F119 PolarHBondContact N-O 2.83Å; I98-F119 PolarHBondContact O-N 3.37Å; F100-F119 HydrophobicContact CD1-CE2 4.34Å; F100-F119 AromaticContact CE1-CD2 3.97Å; F100-F119 HydrophobicContact CE1-CD2 3.97Å; F100-F119 AromaticContact CE1-CE2 3.44Å; F100-F119 HydrophobicContact CE1-CE2 3.44Å; F100-F119 VanDerWaalsContact CE1-CE2 3.44Å; F100-F119 HydrophobicContact CE1-CZ 4.38Å; F100-F119 AromaticContact CZ-CE2 3.89Å; F100-F119 HydrophobicContact CZ-CE2 3.89Å; H117-F119 HydrophobicContact CB-CE2 3.95Å
120	S	82.3	Confident	75.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	141.3	168.4	79.2	0	0	0	0	111.9	A15 H16 Y94 Y96	A15-S120 CarbonylContact C-O 3.51Å; A15-S120 WeakPolarHBondContact CA-O 3.46Å; A15-S120 WeakPolarHBondContact CB-O 3.31Å; H16-S120 PolarHBondContact N-O 3.48Å; H16-S120 PolarHBondContact O-N 2.63Å; Y94-S120 VanDerWaalsContact O-CB 3.22Å; Y94-S120 WeakPolarHBondContact O-CB 3.36Å; Y94-S120 PolarHBondContact O-OG 2.89Å; Y96-S120 WeakPolarHBondContact O-CA 3.28Å
121	C	80.6	Confident	76.7	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.007	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.1	173.6	-76.7	0	0	0	0	111.3	K14 G95 Y96 I98 T123 D126 A127	K14-C121 PolarHBondContact O-SG 3.22Å; G95-C121 CarbonylContact C-O 3.56Å; G95-C121 WeakPolarHBondContact CA-O 3.22Å; Y96-C121 PolarHBondContact N-O 3.35Å; Y96-C121 PolarHBondContact O-N 3.48Å; I98-C121 HydrophobicContact CD1-CB 4.11Å; I98-C121 VanDerWaalsContact CD1-SG 3.52Å; C121-T123 VanDerWaalsContact C-N 3.33Å; C121-T123 PolarHBondContact O-N 3.18Å; C121-D126 HydrophobicContact CB-CB 4.36Å; C121-A127 HydrophobicContact CB-CB 4.06Å
122	E	76.6	Confident	77.4	Confident	111 Å²	111	44.6 Å²	44.6	52%	0.519	22%	0.222	S	C	.	.	S	Bend	trans	-59.8	-36.7	-170.6	-65.9	173.3	-155	0	0	113.4
123	T	76.6	Confident	78.3	Confident	58 Å²	58	39.6 Å²	39.6	36%	0.356	20%	0.203	S	C	.	.	S	Bend	trans	-125.9	162.1	179.9	82.4	0	0	0	0	113.9	Y96 C121 D125 D126 A127	Y96-T123 VanDerWaalsContact CD2-C 3.44Å; C121-T123 VanDerWaalsContact C-N 3.33Å; C121-T123 PolarHBondContact O-N 3.18Å; T123-D125 VanDerWaalsContact C-N 3.27Å; T123-D125 PolarHBondContact O-N 3.38Å; T123-D125 PolarHBondContact OG1-N 2.98Å; T123-D126 WeakPolarHBondContact CB-OD2 3.34Å; T123-D126 WeakPolarHBondContact CG2-OD2 3.31Å; T123-D126 PolarHBondContact OG1-N 2.91Å; T123-D126 PolarHBondContact OG1-OD2 2.69Å; T123-A127 WeakPolarHBondContact O-CB 3.37Å; T123-A127 PolarHBondContact O-N 3.5Å; T123-A127 VanDerWaalsContact O-N 3.11Å
124	K	74.7	Confident	79	Confident	82 Å²	82	37.6 Å²	37.6	36%	0.357	19%	0.194	S	C	.	.	H	α-helix	trans	-62	-38.3	175.3	-168.8	-176.5	178.4	-174.8	0	111.5	Y96 K128 E164	Y96-K124 HydrophobicContact CD1-CB 4.23Å; Y96-K124 HydrophobicContact CD1-CG 4.28Å; Y96-K124 HydrophobicContact CD2-CB 4.32Å; Y96-K124 VanDerWaalsContact CD2-N 3.33Å; Y96-K124 HydrophobicContact CE1-CB 3.77Å; Y96-K124 HydrophobicContact CE1-CD 4.38Å; Y96-K124 HydrophobicContact CE1-CG 3.89Å; Y96-K124 HydrophobicContact CE2-CB 3.89Å; Y96-K124 VanDerWaalsContact CE2-N 3.28Å; Y96-K124 HydrophobicContact CG-CB 4.48Å; K124-K128 VanDerWaalsContact O-CB 3.29Å; K124-K128 WeakPolarHBondContact O-CB 3.06Å; K124-K128 PolarHBondContact O-N 2.88Å; K124-E164 IonicContact NZ-OE1 3.86Å; K124-E164 PolarHBondContact NZ-OE1 2.84Å
125	D	75.2	Confident	79.3	Confident	107 Å²	107	41.6 Å²	41.6	57%	0.572	21%	0.206	S	C	*	.	H	α-helix	trans	-76.8	-38.8	-175.3	-63.5	-50.4	0	0	0	110.9	T123 A127 K128 L129	T123-D125 VanDerWaalsContact C-N 3.27Å; T123-D125 PolarHBondContact O-N 3.38Å; T123-D125 PolarHBondContact OG1-N 2.98Å; D125-A127 VanDerWaalsContact C-N 3.35Å; D125-A127 PolarHBondContact O-N 3Å; D125-K128 PolarHBondContact O-N 3.29Å; D125-L129 VanDerWaalsContact O-CB 3.28Å; D125-L129 WeakPolarHBondContact O-CB 3.18Å; D125-L129 WeakPolarHBondContact O-CD1 3.31Å; D125-L129 WeakPolarHBondContact O-CG 3.14Å; D125-L129 PolarHBondContact O-N 3.5Å
126	D	81.9	Confident	79.2	Confident	64 Å²	64	44.8 Å²	44.8	34%	0.342	22%	0.224	S	C	.	.	H	α-helix	trans	-59	-47	169.6	-63.9	-55.5	0	0	0	111.2	C121 T123 K128 L129 L130	C121-D126 HydrophobicContact CB-CB 4.36Å; T123-D126 WeakPolarHBondContact CB-OD2 3.34Å; T123-D126 WeakPolarHBondContact CG2-OD2 3.31Å; T123-D126 PolarHBondContact OG1-N 2.91Å; T123-D126 PolarHBondContact OG1-OD2 2.69Å; D126-K128 PolarHBondContact O-N 2.89Å; D126-L129 PolarHBondContact O-N 3.31Å; D126-L130 PolarHBondContact O-N 3.04Å
127	A	78.3	Confident	79.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-48.3	178.5	0	0	0	0	0	111.3	I85 I98 C121 T123 D125 L130 V131	I85-A127 HydrophobicContact CD1-CB 4.41Å; I85-A127 HydrophobicContact CG2-CB 4.3Å; I98-A127 HydrophobicContact CD1-CB 3.77Å; I98-A127 HydrophobicContact CG1-CB 3.97Å; C121-A127 HydrophobicContact CB-CB 4.06Å; T123-A127 WeakPolarHBondContact O-CB 3.37Å; T123-A127 PolarHBondContact O-N 3.5Å; T123-A127 VanDerWaalsContact O-N 3.11Å; D125-A127 VanDerWaalsContact C-N 3.35Å; D125-A127 PolarHBondContact O-N 3Å; A127-L130 PolarHBondContact O-N 3.45Å; A127-V131 VanDerWaalsContact O-CG2 3.31Å; A127-V131 WeakPolarHBondContact O-CG2 3.4Å; A127-V131 PolarHBondContact O-N 3.49Å
128	K	76.6	Confident	79.2	Confident	92 Å²	92	47.7 Å²	47.7	40%	0.4	24%	0.237	S	C	.	.	H	α-helix	trans	-61.8	-44.2	177.2	-175.1	-175.4	172	-169.1	0	112.4	I85 K124 D125 D126 L130 V131 D132	I85-K128 HydrophobicContact CD1-CB 3.97Å; K124-K128 VanDerWaalsContact O-CB 3.29Å; K124-K128 WeakPolarHBondContact O-CB 3.06Å; K124-K128 PolarHBondContact O-N 2.88Å; D125-K128 PolarHBondContact O-N 3.29Å; D126-K128 PolarHBondContact O-N 2.89Å; K128-L130 VanDerWaalsContact C-N 3.3Å; K128-L130 PolarHBondContact O-N 3.21Å; K128-V131 PolarHBondContact O-N 3.22Å; K128-D132 VanDerWaalsContact CE-OD2 3.29Å; K128-D132 WeakPolarHBondContact CE-OD2 3.47Å; K128-D132 WeakPolarHBondContact O-CB 3.24Å; K128-D132 PolarHBondContact O-N 3.31Å
129	L	81.2	Confident	78.9	Confident	96 Å²	96	50 Å²	50	50%	0.503	25%	0.249	S	C	.	.	H	α-helix	trans	-62.6	-36.8	178.1	-73.4	167.1	0	0	0	111.7	F13 D125 D126 S133	F13-L129 HydrophobicContact CE1-CB 3.86Å; D125-L129 VanDerWaalsContact O-CB 3.28Å; D125-L129 WeakPolarHBondContact O-CB 3.18Å; D125-L129 WeakPolarHBondContact O-CD1 3.31Å; D125-L129 WeakPolarHBondContact O-CG 3.14Å; D125-L129 PolarHBondContact O-N 3.5Å; D126-L129 PolarHBondContact O-N 3.31Å; L129-S133 WeakPolarHBondContact O-CB 3.29Å; L129-S133 PolarHBondContact O-N 3.01Å; L129-S133 PolarHBondContact O-OG 3.37Å
130	L	83.3	Confident	78.6	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-65.8	-46.5	172.8	175.7	51.6	0	0	0	111.5	F13 V53 L55 I98 D126 A127 K128 S133 I134	F13-L130 HydrophobicContact CB-CD1 4.41Å; F13-L130 HydrophobicContact CB-CD2 4.16Å; F13-L130 HydrophobicContact CD1-CB 3.93Å; F13-L130 HydrophobicContact CD2-CB 4.28Å; F13-L130 HydrophobicContact CD2-CD1 3.59Å; F13-L130 HydrophobicContact CD2-CG 4.4Å; F13-L130 HydrophobicContact CE1-CB 4.18Å; F13-L130 HydrophobicContact CE2-CB 4.48Å; F13-L130 HydrophobicContact CE2-CD1 3.97Å; F13-L130 HydrophobicContact CG-CB 3.98Å; F13-L130 HydrophobicContact CG-CD1 4.01Å; F13-L130 HydrophobicContact CG-CD2 4.42Å; F13-L130 HydrophobicContact CG-CG 4.35Å; F13-L130 HydrophobicContact CZ-CB 4.45Å; V53-L130 HydrophobicContact CB-CD2 4.39Å; V53-L130 HydrophobicContact CG1-CD1 3.97Å; V53-L130 HydrophobicContact CG1-CD2 4.39Å; L55-L130 HydrophobicContact CD1-CD1 4.23Å; L55-L130 HydrophobicContact CD2-CD1 4.12Å; I98-L130 HydrophobicContact CD1-CB 4.36Å; I98-L130 HydrophobicContact CD1-CD2 3.74Å; I98-L130 HydrophobicContact CD1-CG 4.28Å; D126-L130 PolarHBondContact O-N 3.04Å; A127-L130 PolarHBondContact O-N 3.45Å; K128-L130 VanDerWaalsContact C-N 3.3Å; K128-L130 PolarHBondContact O-N 3.21Å; L130-S133 PolarHBondContact O-N 3.03Å; L130-I134 HydrophobicContact CD1-CD1 3.68Å; L130-I134 HydrophobicContact CD1-CG1 4.03Å; L130-I134 HydrophobicContact CG-CD1 4.06Å; L130-I134 WeakPolarHBondContact O-CB 3.02Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 3.12Å
131	V	80.9	Confident	78	Confident	19 Å²	19	56.5 Å²	56.5	12%	0.115	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-49.9	175.6	179.5	0	0	0	0	111.9	A83 I85 I98 A127 K128 S133 I134 Y135	A83-V131 HydrophobicContact CB-CB 4.24Å; A83-V131 HydrophobicContact CB-CG1 3.95Å; A83-V131 HydrophobicContact CB-CG2 3.49Å; A83-V131 VanDerWaalsContact CB-CG2 3.49Å; I85-V131 HydrophobicContact CD1-CG2 4.03Å; I85-V131 HydrophobicContact CG1-CG2 3.85Å; I98-V131 HydrophobicContact CG2-CG2 4.29Å; A127-V131 VanDerWaalsContact O-CG2 3.31Å; A127-V131 WeakPolarHBondContact O-CG2 3.4Å; A127-V131 PolarHBondContact O-N 3.49Å; K128-V131 PolarHBondContact O-N 3.22Å; V131-S133 VanDerWaalsContact C-N 3.28Å; V131-S133 PolarHBondContact O-N 3.45Å; V131-I134 PolarHBondContact O-N 2.99Å; V131-Y135 PolarHBondContact O-N 3.47Å
132	D	77.2	Confident	77.5	Confident	69 Å²	69	60.2 Å²	60.2	37%	0.369	32%	0.317	S	S	.	.	H	α-helix	trans	-64	-33.6	179.7	-73.8	-19.8	0	0	0	111	K128 Y135 N136	K128-D132 VanDerWaalsContact CE-OD2 3.29Å; K128-D132 WeakPolarHBondContact CE-OD2 3.47Å; K128-D132 WeakPolarHBondContact O-CB 3.24Å; K128-D132 PolarHBondContact O-N 3.31Å; D132-Y135 PolarHBondContact O-N 3.44Å; D132-N136 PolarHBondContact O-N 3.47Å; D132-N136 PolarHBondContact O-ND2 3.19Å
133	S	83.2	Confident	76.7	Confident	20 Å²	20	57 Å²	57	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-71.8	-45.3	176	-60.5	0	0	0	0	112.1	L55 L129 L130 V131 Y135 N136 Q137	L55-S133 VanDerWaalsContact CD1-CB 3.43Å; L129-S133 WeakPolarHBondContact O-CB 3.29Å; L129-S133 PolarHBondContact O-N 3.01Å; L129-S133 PolarHBondContact O-OG 3.37Å; L130-S133 PolarHBondContact O-N 3.03Å; V131-S133 VanDerWaalsContact C-N 3.28Å; V131-S133 PolarHBondContact O-N 3.45Å; S133-Y135 PolarHBondContact O-N 2.87Å; S133-N136 PolarHBondContact O-N 3.07Å; S133-Q137 WeakPolarHBondContact O-CB 3.41Å; S133-Q137 PolarHBondContact O-N 2.78Å
134	I	82	Confident	75.8	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.015	33%	0.325	C	S	.	.	H	α-helix	trans	-54.9	-42	172.1	-74.7	168.7	0	0	0	110.6	L55 I60 W76 L130 V131 K138	L55-I134 HydrophobicContact CD1-CG1 4.13Å; L55-I134 HydrophobicContact CD2-CG1 3.92Å; I60-I134 HydrophobicContact CD1-CD1 3.79Å; I60-I134 HydrophobicContact CD1-CG1 3.85Å; I60-I134 HydrophobicContact CD1-CG2 4.49Å; W76-I134 HydrophobicContact CZ3-CG2 4.25Å; L130-I134 HydrophobicContact CD1-CD1 3.68Å; L130-I134 HydrophobicContact CD1-CG1 4.03Å; L130-I134 HydrophobicContact CG-CD1 4.06Å; L130-I134 WeakPolarHBondContact O-CB 3.02Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 3.12Å; V131-I134 PolarHBondContact O-N 2.99Å; I134-K138 WeakPolarHBondContact O-CB 3.39Å; I134-K138 PolarHBondContact O-N 3.49Å; I134-K138 VanDerWaalsContact O-N 3.1Å
135	Y	77.5	Confident	74.2	Confident	110 Å²	110	61.6 Å²	61.6	43%	0.431	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-57.7	176.1	-178.9	-85.4	0	0	0	112.3	Q82 V131 D132 S133 Q137 I139	Q82-Y135 VanDerWaalsContact CD-CD2 3.49Å; Q82-Y135 VanDerWaalsContact NE2-CD2 3.25Å; Q82-Y135 VanDerWaalsContact OE1-CD2 3.31Å; V131-Y135 PolarHBondContact O-N 3.47Å; D132-Y135 PolarHBondContact O-N 3.44Å; S133-Y135 PolarHBondContact O-N 2.87Å; Y135-Q137 PolarHBondContact O-N 2.95Å; Y135-I139 HydrophobicContact CD1-CD1 3.98Å; Y135-I139 HydrophobicContact CE1-CD1 3.35Å; Y135-I139 HydrophobicContact CE2-CD1 4.16Å; Y135-I139 VanDerWaalsContact CZ-CD1 3.44Å; Y135-I139 PolarHBondContact O-N 2.91Å
136	N	74.5	Confident	72.5	Confident	96 Å²	96	62.3 Å²	62.3	51%	0.513	35%	0.353	S	S	.	.	H	α-helix	trans	-65.5	-38.2	-174.8	-73.9	-59.7	0	0	0	112.3	D132 S133 S140	D132-N136 PolarHBondContact O-N 3.47Å; D132-N136 PolarHBondContact O-ND2 3.19Å; S133-N136 PolarHBondContact O-N 3.07Å; N136-S140 WeakPolarHBondContact O-CB 3.44Å; N136-S140 PolarHBondContact O-N 3.47Å; N136-S140 PolarHBondContact O-OG 3.16Å
137	Q	79.1	Confident	70.1	Confident	37 Å²	37	66.2 Å²	66.2	17%	0.173	37%	0.374	C	S	.	.	H	α-helix	trans	-76	-37.8	-176.5	-158.8	157.7	-19.1	0	0	112.2	L55 D56 W76 S133 Y135 S140 A141	L55-Q137 VanDerWaalsContact CB-OE1 3.26Å; L55-Q137 PolarHBondContact O-NE2 3.17Å; D56-Q137 VanDerWaalsContact C-NE2 3.27Å; D56-Q137 PolarHBondContact O-NE2 2.93Å; W76-Q137 HydrophobicContact CH2-CB 4Å; W76-Q137 HydrophobicContact CH2-CG 4.24Å; W76-Q137 HydrophobicContact CZ2-CB 3.8Å; W76-Q137 HydrophobicContact CZ2-CG 3.53Å; S133-Q137 WeakPolarHBondContact O-CB 3.41Å; S133-Q137 PolarHBondContact O-N 2.78Å; Y135-Q137 PolarHBondContact O-N 2.95Å; Q137-S140 PolarHBondContact O-N 3.13Å; Q137-A141 VanDerWaalsContact O-CB 3.31Å; Q137-A141 WeakPolarHBondContact O-CB 3.39Å; Q137-A141 PolarHBondContact O-N 2.91Å
138	K	78.2	Confident	67.8	Low	27 Å²	27	69.7 Å²	69.7	12%	0.117	41%	0.409	C	S	.	.	H	α-helix	trans	-59.1	-47.3	169.4	-179.8	175.1	169.3	-179.1	0	112	W76 I79 S80 I134 S140 A141 L142	W76-K138 HydrophobicContact CD2-CB 4.31Å; W76-K138 HydrophobicContact CE3-CB 3.67Å; W76-K138 HydrophobicContact CE3-CG 4.29Å; W76-K138 HydrophobicContact CZ3-CB 4.15Å; I79-K138 HydrophobicContact CG2-CD 4.48Å; I79-K138 WeakPolarHBondContact O-CE 3.25Å; I79-K138 PolarHBondContact O-NZ 3.21Å; S80-K138 PolarHBondContact O-NZ 3.16Å; I134-K138 WeakPolarHBondContact O-CB 3.39Å; I134-K138 PolarHBondContact O-N 3.49Å; I134-K138 VanDerWaalsContact O-N 3.1Å; K138-S140 VanDerWaalsContact C-N 3.35Å; K138-S140 PolarHBondContact O-N 3.43Å; K138-A141 PolarHBondContact O-N 2.92Å; K138-L142 HydrophobicContact CD-CD1 4.42Å; K138-L142 HydrophobicContact CG-CD1 3.71Å; K138-L142 HydrophobicContact CG-CG 4.36Å; K138-L142 WeakPolarHBondContact O-CB 3.42Å; K138-L142 VanDerWaalsContact O-CG 3.31Å; K138-L142 WeakPolarHBondContact O-CG 3.37Å; K138-L142 PolarHBondContact O-N 2.86Å
139	I	74.5	Confident	65.6	Low	50 Å²	50	70.6 Å²	70.6	26%	0.256	42%	0.419	S	S	.	.	H	α-helix	trans	-61	-44.5	177.4	-75	179.3	0	0	0	111.4	Y135 G143 L144	Y135-I139 HydrophobicContact CD1-CD1 3.98Å; Y135-I139 HydrophobicContact CE1-CD1 3.35Å; Y135-I139 HydrophobicContact CE2-CD1 4.16Å; Y135-I139 VanDerWaalsContact CZ-CD1 3.44Å; Y135-I139 PolarHBondContact O-N 2.91Å; I139-G143 PolarHBondContact O-N 3.14Å; I139-L144 HydrophobicContact CG2-CB 4.12Å; I139-L144 PolarHBondContact O-N 3.31Å
140	S	75.5	Confident	63.1	Low	92 Å²	92	71.5 Å²	71.5	64%	0.643	44%	0.44	S	S	*	.	H	α-helix	trans	-63.2	-41.3	178	-58	0	0	0	0	112.6	N136 Q137 K138	N136-S140 WeakPolarHBondContact O-CB 3.44Å; N136-S140 PolarHBondContact O-N 3.47Å; N136-S140 PolarHBondContact O-OG 3.16Å; Q137-S140 PolarHBondContact O-N 3.13Å; K138-S140 VanDerWaalsContact C-N 3.35Å; K138-S140 PolarHBondContact O-N 3.43Å
141	A	71.1	Confident	60.6	Low	48 Å²	48	76 Å²	76	40%	0.397	47%	0.471	S	S	.	.	H	α-helix	trans	-74.3	-35.6	-179	0	0	0	0	0	113.3	W76 Q137 K138 G143	W76-A141 HydrophobicContact CB-CB 4.08Å; W76-A141 HydrophobicContact CG-CB 3.74Å; Q137-A141 VanDerWaalsContact O-CB 3.31Å; Q137-A141 WeakPolarHBondContact O-CB 3.39Å; Q137-A141 PolarHBondContact O-N 2.91Å; K138-A141 PolarHBondContact O-N 2.92Å; A141-G143 PolarHBondContact O-N 2.96Å
142	L	68.9	Low	58.1	Low	79 Å²	79	85.2 Å²	85.2	41%	0.414	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	3.6	177	-64.6	176.7	0	0	0	113.5	K138 L144	K138-L142 HydrophobicContact CD-CD1 4.42Å; K138-L142 HydrophobicContact CG-CD1 3.71Å; K138-L142 HydrophobicContact CG-CG 4.36Å; K138-L142 WeakPolarHBondContact O-CB 3.42Å; K138-L142 VanDerWaalsContact O-CG 3.31Å; K138-L142 WeakPolarHBondContact O-CG 3.37Å; K138-L142 PolarHBondContact O-N 2.86Å; L142-L144 HydrophobicContact CB-CD1 4.19Å; L142-L144 HydrophobicContact CB-CG 4.11Å; L142-L144 PolarHBondContact O-N 3.2Å
143	G	61.3	Low	55.7	Low	45 Å²	45	87.4 Å²	87.4	46%	0.464	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	18.3	176.1	0	0	0	0	0	114.6	I139 A141 N145	I139-G143 PolarHBondContact O-N 3.14Å; A141-G143 PolarHBondContact O-N 2.96Å; G143-N145 PolarHBondContact O-N 3.2Å
144	L	56.3	Low	53.1	Low	111 Å²	111	91.8 Å²	91.8	58%	0.581	55%	0.553	S	S	*	*			trans	-77.5	63.5	-177.5	-65.2	175	0	0	0	110.9	I139 L142 S146	I139-L144 HydrophobicContact CG2-CB 4.12Å; I139-L144 PolarHBondContact O-N 3.31Å; L142-L144 HydrophobicContact CB-CD1 4.19Å; L142-L144 HydrophobicContact CB-CG 4.11Å; L142-L144 PolarHBondContact O-N 3.2Å; L144-S146 PolarHBondContact O-N 3.24Å
145	N	42.1	Very low	50.4	Low	125 Å²	125	100.4 Å²	100.4	67%	0.668	59%	0.593	S	S	*	*			trans	-62.4	124.7	-175.4	-73.4	-48.3	0	0	0	112.2	G143 N147	G143-N145 PolarHBondContact O-N 3.2Å; N145-N147 PolarHBondContact O-N 2.67Å
146	S	39	Very low	48	Very low	122 Å²	122	100.4 Å²	100.4	85%	0.853	61%	0.605	S	S	*	*			trans	-75.5	57	173.9	61.4	0	0	0	0	112.6	L144	L144-S146 PolarHBondContact O-N 3.24Å
147	N	31.9	Very low	45.6	Very low	146 Å²	146	103.2 Å²	103.2	78%	0.781	62%	0.62	S	S	*	*			trans	-112.4	75.9	-177.5	-75.2	-19.3	0	0	0	111	N145	N145-N147 PolarHBondContact O-N 2.67Å
148	G	29.5	Very low	43.2	Very low	72 Å²	72	109.3 Å²	109.3	74%	0.742	65%	0.652	S	S	*	*	S	Bend	trans	-179.9	112.1	176.1	0	0	0	0	0	114.3
149	D	29.4	Very low	40.8	Very low	112 Å²	112	119.3 Å²	119.3	60%	0.599	69%	0.689	S	S	*	*			trans	46.3	101.7	164.4	-158.3	-8.6	0	0	0	118.8	S151	D149-S151 PolarHBondContact O-N 2.9Å; D149-S151 WeakPolarHBondContact OD1-CB 3.47Å; D149-S151 PolarHBondContact OD1-N 2.74Å; D149-S151 PolarHBondContact OD1-OG 2.7Å
150	A	30.6	Very low	38.5	Very low	114 Å²	114	128.6 Å²	128.6	94%	0.942	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	20.4	178.8	0	0	0	0	0	115
151	S	30.5	Very low	36.2	Very low	98 Å²	98	127.4 Å²	127.4	69%	0.685	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.8	-13.5	-169.8	-34.9	0	0	0	0	115.5	D149	D149-S151 PolarHBondContact O-N 2.9Å; D149-S151 WeakPolarHBondContact OD1-CB 3.47Å; D149-S151 PolarHBondContact OD1-N 2.74Å; D149-S151 PolarHBondContact OD1-OG 2.7Å
152	R	28.4	Very low	34.2	Very low	213 Å²	213	134.3 Å²	134.3	80%	0.804	74%	0.739	S	S	*	*			trans	-142.4	100.4	-178.8	-77.1	-173.9	169.3	178	-4	112.2	P154	R152-P154 WeakPolarHBondContact O-CD 3.11Å
153	S	25.8	Very low	32.3	Very low	115 Å²	115	135.2 Å²	135.2	80%	0.804	75%	0.752	S	S	*	*			trans	-57.6	121.6	175.5	-50.6	0	0	0	0	112.1	E155	S153-E155 PolarHBondContact O-N 3.27Å
154	P	28.7	Very low	30.8	Very low	112 Å²	112	138.9 Å²	138.9	73%	0.727	76%	0.757	S	S	*	*			trans	-75.5	117.3	170.4	-13.9	30.1	0	0	0	110.4	R152 V156	R152-P154 WeakPolarHBondContact O-CD 3.11Å; P154-V156 VanDerWaalsContact C-N 3.25Å; P154-V156 HydrophobicContact CB-CG2 4.14Å; P154-V156 PolarHBondContact O-N 2.89Å
155	E	25.3	Very low	29.7	Very low	185 Å²	185	139 Å²	139	86%	0.864	75%	0.754	S	S	*	*			trans	-75	71.1	176.8	-68.3	-175.2	106.3	0	0	112.1	S153	S153-E155 PolarHBondContact O-N 3.27Å
156	V	26.8	Very low	29.2	Very low	110 Å²	110	139.7 Å²	139.7	67%	0.667	76%	0.757	S	S	*	*			trans	-108.7	61	179.3	-168.4	0	0	0	0	111.1	P154 L158	P154-V156 VanDerWaalsContact C-N 3.25Å; P154-V156 HydrophobicContact CB-CG2 4.14Å; P154-V156 PolarHBondContact O-N 2.89Å; V156-L158 PolarHBondContact O-N 2.93Å
157	N	24.5	Very low	28.8	Very low	155 Å²	155	137.5 Å²	137.5	83%	0.829	74%	0.735	S	S	*	*			trans	38.7	0.6	153.9	-81.1	-63.4	0	0	0	123.1	R159	N157-R159 PolarHBondContact O-N 3.38Å
158	L	28.7	Very low	28.5	Very low	164 Å²	164	135.5 Å²	135.5	86%	0.859	72%	0.724	S	S	*	*			trans	-75.7	90	169.6	-76	154.1	0	0	0	107.7	V156 R160	V156-L158 PolarHBondContact O-N 2.93Å; L158-R160 PolarHBondContact O-N 3.41Å
159	R	28.3	Very low	28.3	Very low	238 Å²	238	138 Å²	138	90%	0.898	73%	0.73	S	S	*	*			trans	-54.2	111.8	-179	-77.1	-172.3	174	-171.6	-0.6	110	N157 G161	N157-R159 PolarHBondContact O-N 3.38Å; R159-G161 PolarHBondContact O-N 3.34Å
160	R	26.9	Very low	28.3	Very low	245 Å²	245	138.1 Å²	138.1	93%	0.925	74%	0.735	S	S	*	*			trans	-38.7	107.2	163.9	-173.8	-172.2	-157.6	-157.5	7.6	108.7	L158 R162	L158-R160 PolarHBondContact O-N 3.41Å; R160-R162 PolarHBondContact O-N 2.81Å
161	G	26.6	Very low	28.2	Very low	66 Å²	66	135.3 Å²	135.3	68%	0.68	72%	0.718	S	S	*	*			trans	-53.9	129.5	-174	0	0	0	0	0	110.1	R159 S163	R159-G161 PolarHBondContact O-N 3.34Å; G161-S163 PolarHBondContact O-N 2.92Å
162	R	28.5	Very low	28.5	Very low	193 Å²	193	137.9 Å²	137.9	73%	0.728	71%	0.713	S	S	*	*			trans	-64.1	105.2	169.3	-85.9	-179	166.3	168.5	-8.4	106.8	R160 E164 E165	R160-R162 PolarHBondContact O-N 2.81Å; R162-E164 PolarHBondContact O-N 3.48Å; R162-E165 HydrophobicContact CB-CB 4.28Å; R162-E165 IonicContact NH1-OE1 2.66Å; R162-E165 PolarHBondContact O-N 2.89Å
163	S	30	Very low	29.5	Very low	98 Å²	98	131.3 Å²	131.3	69%	0.685	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	25.5	174	60.6	0	0	0	0	113.2	G161	G161-S163 PolarHBondContact O-N 2.92Å
164	E	29.8	Very low	30.2	Very low	122 Å²	122	126 Å²	126	57%	0.57	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177.7	69.9	179.6	-110	161.2	-153.9	0	0	106.1	K124 R162 I166	K124-E164 IonicContact NZ-OE1 3.86Å; K124-E164 PolarHBondContact NZ-OE1 2.84Å; R162-E164 PolarHBondContact O-N 3.48Å; E164-I166 VanDerWaalsContact C-N 3.29Å; E164-I166 PolarHBondContact O-N 2.92Å
165	E	32.2	Very low	30.9	Very low	113 Å²	113	121.6 Å²	121.6	53%	0.528	63%	0.632	S	S	.	*			trans	-79.3	90.7	158.7	-167.8	149.2	-103.4	0	0	107.3	R162 I167	R162-E165 HydrophobicContact CB-CB 4.28Å; R162-E165 IonicContact NH1-OE1 2.66Å; R162-E165 PolarHBondContact O-N 2.89Å; E165-I167 HydrophobicContact CG-CD1 4.46Å; E165-I167 HydrophobicContact CG-CG1 3.87Å; E165-I167 PolarHBondContact O-N 3.31Å
166	I	31.2	Very low	32.1	Very low	140 Å²	140	119.1 Å²	119.1	72%	0.718	62%	0.615	S	S	*	*			trans	-70	81.6	171.7	-55.3	176.2	0	0	0	107	E164 D168	E164-I166 VanDerWaalsContact C-N 3.29Å; E164-I166 PolarHBondContact O-N 2.92Å; I166-D168 PolarHBondContact O-N 3.33Å
167	I	32.1	Very low	33.9	Very low	77 Å²	77	114.2 Å²	114.2	40%	0.395	59%	0.585	S	S	.	*			trans	-71.6	82.2	158.6	-50.8	-173.7	0	0	0	105.7	E165	E165-I167 HydrophobicContact CG-CD1 4.46Å; E165-I167 HydrophobicContact CG-CG1 3.87Å; E165-I167 PolarHBondContact O-N 3.31Å
168	D	24.7	Very low	35.6	Very low	103 Å²	103	107 Å²	107	55%	0.551	55%	0.546	S	S	*	.			trans	-53.6	154.9	156	-170.1	14.3	0	0	0	108.7	I166 T170	I166-D168 PolarHBondContact O-N 3.33Å; D168-T170 PolarHBondContact O-N 2.72Å
169	S	25.9	Very low	37	Very low	124 Å²	124	104.4 Å²	104.4	87%	0.867	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	31.9	-164.6	-59.9	0	0	0	0	114.2
170	T	27.9	Very low	38.9	Very low	115 Å²	115	94.2 Å²	94.2	71%	0.706	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	2.3	-173.7	55.3	0	0	0	0	113	D168 Y172	D168-T170 PolarHBondContact O-N 2.72Å; T170-Y172 PolarHBondContact O-N 2.87Å
171	G	30.1	Very low	41.3	Very low	56 Å²	56	82.5 Å²	82.5	58%	0.577	45%	0.445	S	S	*	.	S	Bend	trans	-71	64.4	179.2	0	0	0	0	0	115.1
172	Y	36.5	Very low	43.4	Very low	152 Å²	152	80 Å²	80	60%	0.596	42%	0.416	S	S	*	.			trans	54.2	101.5	173.1	-138.1	-72.1	0	0	0	115.9	T170 G174 H251	T170-Y172 PolarHBondContact O-N 2.87Å; Y172-G174 PolarHBondContact O-N 3.15Å; Y172-H251 AromaticContact CD1-NE2 3.92Å; Y172-H251 AromaticContact CE1-CD2 3.83Å; Y172-H251 AromaticContact CE1-CE1 3.77Å; Y172-H251 AromaticContact CE1-NE2 3.08Å; Y172-H251 WeakPolarHBondContact CE1-NE2 3.42Å; Y172-H251 AromaticContact CZ-CE1 3.93Å; Y172-H251 AromaticContact CZ-NE2 3.21Å; Y172-H251 PolarHBondContact OH-NE2 3.47Å
173	D	48.8	Very low	45.6	Very low	75 Å²	75	72 Å²	72	40%	0.401	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	7.1	-174.3	-144.8	0.6	0	0	0	114.9	G175 R176 N177	D173-G175 PolarHBondContact O-N 2.96Å; D173-R176 PolarHBondContact O-N 2.8Å; D173-R176 WeakPolarHBondContact OD1-CB 3.49Å; D173-R176 VanDerWaalsContact OD1-CD 3.3Å; D173-R176 WeakPolarHBondContact OD1-CD 3.39Å; D173-R176 WeakPolarHBondContact OD1-CG 3.48Å; D173-R176 IonicContact OD1-CZ 2.81Å; D173-R176 IonicContact OD1-NH1 3.78Å; D173-R176 PolarHBondContact OD1-NH1 2.78Å; D173-R176 IonicContact OD2-NH1 2.67Å; D173-R176 PolarHBondContact OD2-NH1 3.17Å; D173-N177 WeakPolarHBondContact O-CB 3.33Å; D173-N177 PolarHBondContact O-N 2.68Å
174	G	41.5	Very low	48.1	Very low	4 Å²	4	67.3 Å²	67.3	4%	0.041	35%	0.354	C	S	.	.	H	α-helix	trans	-57.1	-48.5	-172.1	0	0	0	0	0	114.1	Y172 R176 N177 F178	Y172-G174 PolarHBondContact O-N 3.15Å; G174-R176 VanDerWaalsContact C-N 3.34Å; G174-R176 PolarHBondContact O-N 3.48Å; G174-N177 PolarHBondContact O-N 3.23Å; G174-F178 WeakPolarHBondContact O-CD2 3.34Å; G174-F178 WeakPolarHBondContact O-CG 3.45Å; G174-F178 PolarHBondContact O-N 2.93Å
175	G	42.3	Very low	50.5	Low	19 Å²	19	62 Å²	62	20%	0.196	33%	0.329	C	S	.	.	H	α-helix	trans	-60.6	-41.2	179	0	0	0	0	0	113.1	D173 Y179	D173-G175 PolarHBondContact O-N 2.96Å; G175-Y179 PolarHBondContact O-N 2.88Å; G175-Y179 VanDerWaalsContact O-N 3.12Å
176	R	51.9	Low	52.5	Low	132 Å²	132	57.9 Å²	57.9	50%	0.498	31%	0.311	S	S	.	.	H	α-helix	trans	-69.2	-44.4	174	171.9	162.2	170.4	-106.3	9.8	111.2	D173 G174 F178 Y179 M180	D173-R176 PolarHBondContact O-N 2.8Å; D173-R176 WeakPolarHBondContact OD1-CB 3.49Å; D173-R176 VanDerWaalsContact OD1-CD 3.3Å; D173-R176 WeakPolarHBondContact OD1-CD 3.39Å; D173-R176 WeakPolarHBondContact OD1-CG 3.48Å; D173-R176 IonicContact OD1-CZ 2.81Å; D173-R176 IonicContact OD1-NH1 3.78Å; D173-R176 PolarHBondContact OD1-NH1 2.78Å; D173-R176 IonicContact OD2-NH1 2.67Å; D173-R176 PolarHBondContact OD2-NH1 3.17Å; G174-R176 VanDerWaalsContact C-N 3.34Å; G174-R176 PolarHBondContact O-N 3.48Å; R176-F178 VanDerWaalsContact C-N 3.3Å; R176-F178 PolarHBondContact O-N 3.36Å; R176-Y179 WeakPolarHBondContact O-CB 3.38Å; R176-Y179 PolarHBondContact O-N 3.2Å; R176-M180 HydrophobicContact CG-CG 4.03Å; R176-M180 WeakPolarHBondContact O-CB 3.38Å; R176-M180 WeakPolarHBondContact O-CG 3.3Å; R176-M180 PolarHBondContact O-N 3.15Å
177	N	64.5	Low	55	Low	7 Å²	7	51.9 Å²	51.9	4%	0.037	28%	0.28	C	S	.	.	H	α-helix	trans	-59.3	-38.3	175.5	-77.4	-7	0	0	0	112.6	D173 G174 L181 L244 Q247 I248	D173-N177 WeakPolarHBondContact O-CB 3.33Å; D173-N177 PolarHBondContact O-N 2.68Å; G174-N177 PolarHBondContact O-N 3.23Å; N177-L181 WeakPolarHBondContact O-CB 3.26Å; N177-L181 PolarHBondContact O-N 3.41Å; N177-L244 HydrophobicContact CB-CD2 3.88Å; N177-L244 VanDerWaalsContact OD1-CD2 3.23Å; N177-L244 WeakPolarHBondContact OD1-CD2 3.26Å; N177-Q247 PolarHBondContact ND2-OE1 2.93Å; N177-I248 HydrophobicContact CB-CG2 3.67Å
178	F	59.5	Low	57.6	Low	4 Å²	4	48.3 Å²	48.3	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-50.3	169.5	-74.2	-61.3	0	0	0	111.9	G174 R176 L181 N182 I248 H251 I252	G174-F178 WeakPolarHBondContact O-CD2 3.34Å; G174-F178 WeakPolarHBondContact O-CG 3.45Å; G174-F178 PolarHBondContact O-N 2.93Å; R176-F178 VanDerWaalsContact C-N 3.3Å; R176-F178 PolarHBondContact O-N 3.36Å; F178-L181 PolarHBondContact O-N 2.81Å; F178-N182 PolarHBondContact O-N 3.4Å; F178-N182 PolarHBondContact O-ND2 3.44Å; F178-N182 PolarHBondContact O-OD1 3Å; F178-I248 HydrophobicContact CD1-CB 4.36Å; F178-I248 HydrophobicContact CD1-CD1 3.86Å; F178-I248 HydrophobicContact CD1-CG2 4.1Å; F178-I248 HydrophobicContact CE1-CB 3.86Å; F178-I248 HydrophobicContact CE1-CD1 3.72Å; F178-I248 HydrophobicContact CE1-CG1 4.21Å; F178-I248 HydrophobicContact CE1-CG2 4.06Å; F178-I248 HydrophobicContact CG-CG2 4.34Å; F178-I248 HydrophobicContact CZ-CB 4.04Å; F178-I248 HydrophobicContact CZ-CG2 4.27Å; F178-H251 HydrophobicContact CZ-CB 4.22Å; F178-I252 HydrophobicContact CE1-CG2 3.45Å; F178-I252 VanDerWaalsContact CE1-CG2 3.45Å; F178-I252 HydrophobicContact CZ-CG2 3.63Å
179	Y	58.7	Low	60.5	Low	109 Å²	109	45.8 Å²	45.8	43%	0.427	25%	0.247	S	C	.	.	H	α-helix	trans	-58.4	-50.4	178.3	174.5	-94.5	0	0	0	112.3	L39 G175 R176 L181 N182 Q183	L39-Y179 HydrophobicContact CD1-CD2 4.14Å; L39-Y179 HydrophobicContact CD1-CE2 4.21Å; G175-Y179 PolarHBondContact O-N 2.88Å; G175-Y179 VanDerWaalsContact O-N 3.12Å; R176-Y179 WeakPolarHBondContact O-CB 3.38Å; R176-Y179 PolarHBondContact O-N 3.2Å; Y179-L181 VanDerWaalsContact C-N 3.29Å; Y179-L181 PolarHBondContact O-N 3.42Å; Y179-N182 WeakPolarHBondContact O-CB 3.34Å; Y179-N182 PolarHBondContact O-N 2.92Å; Y179-Q183 PolarHBondContact O-N 3.42Å
180	M	67.6	Low	62.9	Low	24 Å²	24	43.2 Å²	43.2	12%	0.118	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-38.2	179.6	-60.7	-68.8	-75.4	0	0	111.3	R176 Q183 C184 Y240 L244 P338 F340	R176-M180 HydrophobicContact CG-CG 4.03Å; R176-M180 WeakPolarHBondContact O-CB 3.38Å; R176-M180 WeakPolarHBondContact O-CG 3.3Å; R176-M180 PolarHBondContact O-N 3.15Å; M180-Q183 PolarHBondContact O-N 2.93Å; M180-C184 PolarHBondContact O-N 3.25Å; M180-C184 PolarHBondContact O-SG 2.86Å; M180-Y240 HydrophobicContact CB-CE1 4.17Å; M180-Y240 HydrophobicContact CE-CE1 3.89Å; M180-L244 HydrophobicContact CB-CD1 3.66Å; M180-P338 HydrophobicContact CE-CG 3.57Å; M180-F340 HydrophobicContact CE-CE2 3.67Å; M180-F340 HydrophobicContact CE-CZ 4.16Å; M180-F340 HydrophobicContact SD-CE2 3.76Å; M180-F340 HydrophobicContact SD-CZ 4.46Å
181	L	77	Confident	65.8	Low	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.7	-41.9	176.4	178.3	60.8	0	0	0	112	N177 F178 Y179 Q183 C184 I185 A241 L244 I248 I260	N177-L181 WeakPolarHBondContact O-CB 3.26Å; N177-L181 PolarHBondContact O-N 3.41Å; F178-L181 PolarHBondContact O-N 2.81Å; Y179-L181 VanDerWaalsContact C-N 3.29Å; Y179-L181 PolarHBondContact O-N 3.42Å; L181-Q183 VanDerWaalsContact C-N 3.29Å; L181-Q183 PolarHBondContact O-N 2.9Å; L181-C184 WeakPolarHBondContact O-CB 3.04Å; L181-C184 PolarHBondContact O-N 2.94Å; L181-I185 HydrophobicContact CD1-CD1 4.13Å; L181-I185 HydrophobicContact CD1-CG1 4.42Å; L181-I185 HydrophobicContact CG-CD1 4.04Å; L181-I185 WeakPolarHBondContact O-CG1 3.21Å; L181-I185 PolarHBondContact O-N 2.82Å; L181-A241 HydrophobicContact CD1-CB 3.61Å; L181-L244 HydrophobicContact CB-CB 4.21Å; L181-L244 HydrophobicContact CB-CD1 3.98Å; L181-L244 HydrophobicContact CD1-CB 4.41Å; L181-I248 HydrophobicContact CD2-CD1 3.33Å; L181-I260 HydrophobicContact CD1-CG2 4.39Å; L181-I260 HydrophobicContact CD2-CD1 4.25Å; L181-I260 HydrophobicContact CD2-CG2 4.28Å
182	N	71.8	Confident	68.6	Low	13 Å²	13	36.6 Å²	36.6	7%	0.07	17%	0.174	C	C	.	.	H	α-helix	trans	-59.3	-43.7	176.2	-59.5	-31.6	0	0	0	111.1	F178 Y179 I185 D186 T701 L704 R707	F178-N182 PolarHBondContact O-N 3.4Å; F178-N182 PolarHBondContact O-ND2 3.44Å; F178-N182 PolarHBondContact O-OD1 3Å; Y179-N182 WeakPolarHBondContact O-CB 3.34Å; Y179-N182 PolarHBondContact O-N 2.92Å; N182-I185 PolarHBondContact O-N 3.27Å; N182-D186 PolarHBondContact O-N 3.21Å; N182-T701 WeakPolarHBondContact ND2-CG2 3.47Å; N182-T701 PolarHBondContact ND2-OG1 2.72Å; N182-L704 WeakPolarHBondContact OD1-CB 3.47Å; N182-L704 WeakPolarHBondContact OD1-CD1 3.46Å; N182-L704 WeakPolarHBondContact OD1-CD2 3.38Å; N182-R707 PolarHBondContact O-NH1 2.91Å
183	Q	73.6	Confident	70.8	Confident	24 Å²	24	32 Å²	32	11%	0.112	16%	0.16	C	C	.	.	H	α-helix	trans	-74	-30.7	-179.4	-167.8	62.8	55.5	0	0	112.4	Y179 M180 L181 I185 D186 D187 F340	Y179-Q183 PolarHBondContact O-N 3.42Å; M180-Q183 PolarHBondContact O-N 2.93Å; L181-Q183 VanDerWaalsContact C-N 3.29Å; L181-Q183 PolarHBondContact O-N 2.9Å; Q183-I185 VanDerWaalsContact C-N 3.34Å; Q183-D186 WeakPolarHBondContact O-CB 3.27Å; Q183-D186 PolarHBondContact O-N 3.24Å; Q183-D187 PolarHBondContact NE2-OD1 3.11Å; Q183-D187 PolarHBondContact O-N 2.97Å; Q183-D187 VanDerWaalsContact O-N 3.07Å; Q183-F340 HydrophobicContact CB-CD1 4.04Å; Q183-F340 HydrophobicContact CB-CD2 4.25Å; Q183-F340 HydrophobicContact CB-CE1 4.02Å; Q183-F340 HydrophobicContact CB-CE2 4.22Å; Q183-F340 HydrophobicContact CB-CG 4.15Å; Q183-F340 HydrophobicContact CB-CZ 4.1Å; Q183-F340 HydrophobicContact CG-CB 3.56Å; Q183-F340 HydrophobicContact CG-CD1 3.4Å; Q183-F340 HydrophobicContact CG-CD2 3.72Å; Q183-F340 HydrophobicContact CG-CE1 3.91Å; Q183-F340 HydrophobicContact CG-CE2 4.18Å; Q183-F340 HydrophobicContact CG-CG 3.27Å; Q183-F340 HydrophobicContact CG-CZ 4.27Å
184	C	82.8	Confident	72.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.3	-45.6	164.6	-73.8	0	0	0	0	111.3	M180 L181 D187 I188 K237 A241 F340	M180-C184 PolarHBondContact O-N 3.25Å; M180-C184 PolarHBondContact O-SG 2.86Å; L181-C184 WeakPolarHBondContact O-CB 3.04Å; L181-C184 PolarHBondContact O-N 2.94Å; C184-D187 PolarHBondContact O-N 3.16Å; C184-I188 WeakPolarHBondContact O-CB 3.33Å; C184-I188 VanDerWaalsContact O-CD1 3.28Å; C184-I188 WeakPolarHBondContact O-CD1 3.31Å; C184-I188 WeakPolarHBondContact O-CG1 3.26Å; C184-I188 PolarHBondContact O-N 3.38Å; C184-K237 HydrophobicContact CB-CB 4.46Å; C184-A241 HydrophobicContact CB-CB 3.97Å; C184-F340 HydrophobicContact CB-CE1 4.49Å
185	I	80.6	Confident	74.5	Confident	11 Å²	11	33.1 Å²	33.1	6%	0.056	16%	0.157	C	C	.	.	H	α-helix	trans	-65.6	-40.5	179.7	-67.1	164.9	0	0	0	111.2	L181 N182 Q183 E189 L704	L181-I185 HydrophobicContact CD1-CD1 4.13Å; L181-I185 HydrophobicContact CD1-CG1 4.42Å; L181-I185 HydrophobicContact CG-CD1 4.04Å; L181-I185 WeakPolarHBondContact O-CG1 3.21Å; L181-I185 PolarHBondContact O-N 2.82Å; N182-I185 PolarHBondContact O-N 3.27Å; Q183-I185 VanDerWaalsContact C-N 3.34Å; I185-E189 WeakPolarHBondContact O-CB 3.4Å; I185-E189 WeakPolarHBondContact O-CG 3.29Å; I185-E189 PolarHBondContact O-N 2.97Å; I185-L704 HydrophobicContact CD1-CD1 3.84Å
186	D	73.1	Confident	76.5	Confident	27 Å²	27	35.3 Å²	35.3	14%	0.144	16%	0.162	C	C	.	.	H	α-helix	trans	-53	-55.1	170.3	-95.4	-81.3	0	0	0	111.9	N182 Q183 I188 E189 C190 K343 R707	N182-D186 PolarHBondContact O-N 3.21Å; Q183-D186 WeakPolarHBondContact O-CB 3.27Å; Q183-D186 PolarHBondContact O-N 3.24Å; D186-I188 PolarHBondContact O-N 3.25Å; D186-E189 PolarHBondContact O-N 3.01Å; D186-C190 VanDerWaalsContact O-CB 3.27Å; D186-C190 WeakPolarHBondContact O-CB 3.25Å; D186-C190 PolarHBondContact O-N 2.91Å; D186-K343 WeakPolarHBondContact OD1-CE 3.35Å; D186-K343 IonicContact OD1-NZ 2.7Å; D186-K343 PolarHBondContact OD1-NZ 2.84Å; D186-K343 IonicContact OD2-NZ 2.64Å; D186-R707 VanDerWaalsContact CG-NH1 3.26Å; D186-R707 IonicContact OD1-CZ 3.75Å; D186-R707 IonicContact OD1-NH1 3.9Å; D186-R707 IonicContact OD1-NH2 2.94Å; D186-R707 PolarHBondContact OD1-NH2 3.12Å; D186-R707 VanDerWaalsContact OD1-NH2 3.09Å; D186-R707 IonicContact OD2-CZ 3.15Å; D186-R707 IonicContact OD2-NH1 3.15Å; D186-R707 PolarHBondContact OD2-NH1 3.34Å; D186-R707 IonicContact OD2-NH2 3.2Å; D186-R707 PolarHBondContact OD2-NH2 3.48Å
187	D	83.2	Confident	77.9	Confident	13 Å²	13	32.2 Å²	32.2	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-66.2	-41.2	-174.2	-77.9	29.8	0	0	0	110.5	Q183 C184 C190 F191 I234 K237 F340 A341	Q183-D187 PolarHBondContact NE2-OD1 3.11Å; Q183-D187 PolarHBondContact O-N 2.97Å; Q183-D187 VanDerWaalsContact O-N 3.07Å; C184-D187 PolarHBondContact O-N 3.16Å; D187-C190 PolarHBondContact O-N 3.31Å; D187-F191 WeakPolarHBondContact O-CB 3.37Å; D187-F191 PolarHBondContact O-N 3.41Å; D187-I234 HydrophobicContact CB-CD1 3.86Å; D187-I234 WeakPolarHBondContact O-CD1 3.3Å; D187-K237 HydrophobicContact CB-CD 3.96Å; D187-K237 IonicContact OD2-NZ 3.27Å; D187-K237 PolarHBondContact OD2-NZ 2.71Å; D187-F340 WeakPolarHBondContact OD2-CA 3.4Å; D187-A341 PolarHBondContact OD2-N 3.35Å; D187-A341 VanDerWaalsContact OD2-N 3.13Å
188	I	88.2	Confident	78.5	Confident	3 Å²	3	31.9 Å²	31.9	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-58.4	-51.1	172.8	-69.8	161.2	0	0	0	110.7	C184 D186 C190 F191 E192 I234 V238 L264 T267	C184-I188 WeakPolarHBondContact O-CB 3.33Å; C184-I188 VanDerWaalsContact O-CD1 3.28Å; C184-I188 WeakPolarHBondContact O-CD1 3.31Å; C184-I188 WeakPolarHBondContact O-CG1 3.26Å; C184-I188 PolarHBondContact O-N 3.38Å; D186-I188 PolarHBondContact O-N 3.25Å; I188-C190 VanDerWaalsContact C-N 3.33Å; I188-C190 PolarHBondContact O-N 3.37Å; I188-F191 PolarHBondContact O-N 3.04Å; I188-E192 HydrophobicContact CG2-CG 4.34Å; I188-E192 WeakPolarHBondContact O-CB 3.44Å; I188-E192 WeakPolarHBondContact O-CG 3.48Å; I188-E192 PolarHBondContact O-N 2.64Å; I188-I234 HydrophobicContact CG1-CG2 4.24Å; I188-V238 HydrophobicContact CD1-CB 4.47Å; I188-V238 HydrophobicContact CD1-CG2 3.56Å; I188-V238 HydrophobicContact CG1-CG2 3.84Å; I188-L264 HydrophobicContact CD1-CD2 3.9Å; I188-T267 HydrophobicContact CG2-CG2 3.9Å
189	E	84.5	Confident	79.4	Confident	49 Å²	49	33.7 Å²	33.7	23%	0.229	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-37.7	-179.6	-81.5	178.6	-178	0	0	112.3	I185 D186 N193 R263	I185-E189 WeakPolarHBondContact O-CB 3.4Å; I185-E189 WeakPolarHBondContact O-CG 3.29Å; I185-E189 PolarHBondContact O-N 2.97Å; D186-E189 PolarHBondContact O-N 3.01Å; E189-N193 WeakPolarHBondContact O-CB 3.38Å; E189-N193 PolarHBondContact O-N 3.39Å; E189-N193 PolarHBondContact O-ND2 2.91Å; E189-R263 IonicContact OE1-NE 3.27Å; E189-R263 IonicContact OE1-NH2 3.55Å; E189-R263 PolarHBondContact OE1-NH2 3.2Å
190	C	77.4	Confident	80.3	Confident	71 Å²	71	33.3 Å²	33.3	48%	0.48	16%	0.161	S	C	.	.	H	α-helix	trans	-63.9	-45.5	174.8	-172.8	0	0	0	0	111.7	D186 D187 I188 N193 R194	D186-C190 VanDerWaalsContact O-CB 3.27Å; D186-C190 WeakPolarHBondContact O-CB 3.25Å; D186-C190 PolarHBondContact O-N 2.91Å; D187-C190 PolarHBondContact O-N 3.31Å; I188-C190 VanDerWaalsContact C-N 3.33Å; I188-C190 PolarHBondContact O-N 3.37Å; C190-N193 PolarHBondContact O-N 3.4Å; C190-R194 WeakPolarHBondContact O-CG 3.17Å; C190-R194 PolarHBondContact O-N 3.33Å
191	F	89.1	Confident	80.4	Confident	3 Å²	3	38.5 Å²	38.5	1%	0.013	18%	0.179	C	C	.	.	H	α-helix	trans	-64.5	-51.4	177.5	177.4	-87.4	0	0	0	112.4	D187 I188 N193 R194 L195 P226 D230 A231 I234 L271 Y283	D187-F191 WeakPolarHBondContact O-CB 3.37Å; D187-F191 PolarHBondContact O-N 3.41Å; I188-F191 PolarHBondContact O-N 3.04Å; F191-N193 VanDerWaalsContact C-N 3.26Å; F191-N193 PolarHBondContact O-N 3.28Å; F191-R194 PolarHBondContact O-N 3Å; F191-L195 HydrophobicContact CD1-CD2 4.39Å; F191-L195 HydrophobicContact CE1-CB 4.33Å; F191-L195 HydrophobicContact CE1-CD2 3.46Å; F191-L195 VanDerWaalsContact CE1-CD2 3.46Å; F191-L195 HydrophobicContact CZ-CD2 3.82Å; F191-L195 WeakPolarHBondContact O-CB 3.38Å; F191-L195 PolarHBondContact O-N 2.98Å; F191-P226 HydrophobicContact CD2-CB 3.67Å; F191-P226 HydrophobicContact CD2-CG 4.02Å; F191-P226 HydrophobicContact CE2-CB 3.33Å; F191-P226 HydrophobicContact CE2-CG 3.88Å; F191-P226 HydrophobicContact CZ-CB 4.2Å; F191-P226 HydrophobicContact CZ-CG 4.45Å; F191-D230 HydrophobicContact CD2-CB 4.07Å; F191-D230 HydrophobicContact CE2-CB 3.91Å; F191-A231 VanDerWaalsContact CE2-CA 3.48Å; F191-A231 HydrophobicContact CE2-CB 3.88Å; F191-A231 HydrophobicContact CZ-CB 3.67Å; F191-I234 HydrophobicContact CB-CB 4.47Å; F191-I234 HydrophobicContact CB-CD1 3.73Å; F191-I234 HydrophobicContact CB-CG1 3.68Å; F191-I234 HydrophobicContact CB-CG2 4.21Å; F191-I234 HydrophobicContact CD1-CB 4.44Å; F191-I234 HydrophobicContact CD1-CG1 4.45Å; F191-I234 HydrophobicContact CD1-CG2 3.93Å; F191-I234 HydrophobicContact CD2-CB 4.29Å; F191-I234 HydrophobicContact CD2-CG1 3.7Å; F191-I234 HydrophobicContact CE1-CG2 4.48Å; F191-I234 HydrophobicContact CE2-CG1 4.44Å; F191-I234 HydrophobicContact CG-CB 4.16Å; F191-I234 HydrophobicContact CG-CD1 4.31Å; F191-I234 HydrophobicContact CG-CG1 3.7Å; F191-I234 HydrophobicContact CG-CG2 4.01Å; F191-L271 HydrophobicContact CD1-CD2 4.38Å; F191-L271 HydrophobicContact CE1-CD2 3.68Å; F191-Y283 HydrophobicContact CZ-CE2 4.38Å
192	E	87.2	Confident	79.6	Confident	28 Å²	28	42.5 Å²	42.5	13%	0.131	20%	0.199	C	C	.	.	H	α-helix	trans	-55.6	-44.5	177.3	-72.5	177.4	167.8	0	0	110.5	I188 R194 L195 E196 R263 T267 W270	I188-E192 HydrophobicContact CG2-CG 4.34Å; I188-E192 WeakPolarHBondContact O-CB 3.44Å; I188-E192 WeakPolarHBondContact O-CG 3.48Å; I188-E192 PolarHBondContact O-N 2.64Å; E192-R194 PolarHBondContact O-N 3.47Å; E192-L195 PolarHBondContact O-N 2.87Å; E192-E196 VanDerWaalsContact O-CB 3.29Å; E192-E196 WeakPolarHBondContact O-CB 3.47Å; E192-E196 PolarHBondContact O-N 3.44Å; E192-R263 VanDerWaalsContact CD-NH1 3.27Å; E192-R263 IonicContact OE1-CZ 2.73Å; E192-R263 IonicContact OE1-NH1 3.86Å; E192-R263 PolarHBondContact OE1-NH1 3.14Å; E192-R263 IonicContact OE2-CZ 2.71Å; E192-R263 VanDerWaalsContact OE2-CZ 3.22Å; E192-R263 IonicContact OE2-NH1 4Å; E192-R263 PolarHBondContact OE2-NH1 3.06Å; E192-R263 IonicContact OE2-NH2 3.73Å; E192-R263 PolarHBondContact OE2-NH2 3.15Å; E192-T267 WeakPolarHBondContact OE1-CB 3.14Å; E192-T267 VanDerWaalsContact OE1-CG2 3.29Å; E192-T267 WeakPolarHBondContact OE1-CG2 3.49Å; E192-T267 PolarHBondContact OE1-OG1 3.05Å; E192-W270 HydrophobicContact CB-CH2 4.44Å; E192-W270 HydrophobicContact CB-CZ3 4.24Å; E192-W270 HydrophobicContact CG-CE3 4.17Å; E192-W270 HydrophobicContact CG-CH2 4.44Å; E192-W270 HydrophobicContact CG-CZ3 3.77Å
193	N	82.6	Confident	79	Confident	56 Å²	56	46 Å²	46	30%	0.299	22%	0.224	S	C	.	.	H	α-helix	trans	-63.7	-34.6	175.6	-93.4	-87.4	0	0	0	114.1	E189 C190 F191 K197	E189-N193 WeakPolarHBondContact O-CB 3.38Å; E189-N193 PolarHBondContact O-N 3.39Å; E189-N193 PolarHBondContact O-ND2 2.91Å; C190-N193 PolarHBondContact O-N 3.4Å; F191-N193 VanDerWaalsContact C-N 3.26Å; F191-N193 PolarHBondContact O-N 3.28Å; N193-K197 WeakPolarHBondContact O-CB 3.25Å; N193-K197 WeakPolarHBondContact O-CD 3.35Å; N193-K197 VanDerWaalsContact O-CE 3.28Å; N193-K197 WeakPolarHBondContact O-CE 3.18Å; N193-K197 WeakPolarHBondContact O-CG 3.4Å; N193-K197 PolarHBondContact OD1-NZ 3.27Å
194	R	83.1	Confident	78	Confident	103 Å²	103	52.4 Å²	52.4	39%	0.389	25%	0.253	S	S	.	.	H	α-helix	trans	-71.3	-48.1	175.9	-77.3	168.9	64.2	-149.7	-1.2	110.5	C190 F191 E192 K197 A198 P226 D230	C190-R194 WeakPolarHBondContact O-CG 3.17Å; C190-R194 PolarHBondContact O-N 3.33Å; F191-R194 PolarHBondContact O-N 3Å; E192-R194 PolarHBondContact O-N 3.47Å; R194-K197 PolarHBondContact O-N 3Å; R194-A198 PolarHBondContact O-N 3.05Å; R194-A198 VanDerWaalsContact O-N 3.1Å; R194-P226 HydrophobicContact CB-CG 3.85Å; R194-D230 IonicContact CZ-OD2 3.22Å; R194-D230 IonicContact NH1-OD2 3.78Å; R194-D230 PolarHBondContact NH1-OD2 2.82Å; R194-D230 IonicContact NH2-OD2 2.83Å; R194-D230 PolarHBondContact NH2-OD2 3.46Å
195	L	86.6	Confident	76.2	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.3	-45.6	-177.2	179.5	53.6	0	0	0	112.1	F191 E192 K197 A198 I199 P226 W270 V274 V280 Y283	F191-L195 HydrophobicContact CD1-CD2 4.39Å; F191-L195 HydrophobicContact CE1-CB 4.33Å; F191-L195 HydrophobicContact CE1-CD2 3.46Å; F191-L195 VanDerWaalsContact CE1-CD2 3.46Å; F191-L195 HydrophobicContact CZ-CD2 3.82Å; F191-L195 WeakPolarHBondContact O-CB 3.38Å; F191-L195 PolarHBondContact O-N 2.98Å; E192-L195 PolarHBondContact O-N 2.87Å; L195-K197 VanDerWaalsContact C-N 3.29Å; L195-K197 PolarHBondContact O-N 2.91Å; L195-A198 PolarHBondContact O-N 3.39Å; L195-A198 VanDerWaalsContact O-N 3.1Å; L195-I199 HydrophobicContact CD1-CD1 3.93Å; L195-I199 HydrophobicContact CD1-CG1 4.19Å; L195-I199 HydrophobicContact CG-CD1 3.96Å; L195-I199 WeakPolarHBondContact O-CG1 3.38Å; L195-I199 PolarHBondContact O-N 2.86Å; L195-P226 HydrophobicContact CB-CG 4.19Å; L195-W270 HydrophobicContact CB-CH2 4.06Å; L195-W270 HydrophobicContact CD2-CH2 3.62Å; L195-W270 HydrophobicContact CD2-CZ3 3.8Å; L195-W270 HydrophobicContact CG-CH2 3.79Å; L195-W270 HydrophobicContact CG-CZ3 4.45Å; L195-V274 HydrophobicContact CD2-CG1 4.32Å; L195-V280 HydrophobicContact CD1-CG2 3.65Å; L195-Y283 HydrophobicContact CD1-CE2 4.34Å; L195-Y283 HydrophobicContact CD2-CE2 4.2Å
196	E	83.7	Confident	74.6	Confident	64 Å²	64	64.2 Å²	64.2	30%	0.299	31%	0.313	S	S	.	.	H	α-helix	trans	-60.7	-38.4	177	-161.2	-151.6	-158.8	0	0	111.9	E192 I199 K200 T717	E192-E196 VanDerWaalsContact O-CB 3.29Å; E192-E196 WeakPolarHBondContact O-CB 3.47Å; E192-E196 PolarHBondContact O-N 3.44Å; E196-I199 PolarHBondContact O-N 2.74Å; E196-K200 VanDerWaalsContact CD-CE 3.43Å; E196-K200 HydrophobicContact CG-CD 4.3Å; E196-K200 WeakPolarHBondContact O-CB 3.46Å; E196-K200 WeakPolarHBondContact O-CG 3.42Å; E196-K200 PolarHBondContact O-N 3.46Å; E196-K200 WeakPolarHBondContact OE1-CE 3.44Å; E196-K200 IonicContact OE1-NZ 2.65Å; E196-K200 PolarHBondContact OE1-NZ 3Å; E196-K200 IonicContact OE2-NZ 2.84Å; E196-K200 PolarHBondContact OE2-NZ 2.99Å; E196-T717 WeakPolarHBondContact OE2-CG2 3.21Å
197	K	80.4	Confident	73.3	Confident	68 Å²	68	73.7 Å²	73.7	30%	0.296	35%	0.347	S	S	.	.	H	α-helix	trans	-68	-32.4	175.6	-71.7	167.8	-160.5	151.6	0	112.6	N193 R194 L195 R201	N193-K197 WeakPolarHBondContact O-CB 3.25Å; N193-K197 WeakPolarHBondContact O-CD 3.35Å; N193-K197 VanDerWaalsContact O-CE 3.28Å; N193-K197 WeakPolarHBondContact O-CE 3.18Å; N193-K197 WeakPolarHBondContact O-CG 3.4Å; N193-K197 PolarHBondContact OD1-NZ 3.27Å; R194-K197 PolarHBondContact O-N 3Å; L195-K197 VanDerWaalsContact C-N 3.29Å; L195-K197 PolarHBondContact O-N 2.91Å; K197-R201 WeakPolarHBondContact O-CG 3.47Å; K197-R201 PolarHBondContact O-N 3.36Å
198	A	78.1	Confident	71.4	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-69.8	-48.2	173.7	0	0	0	0	0	111.1	R194 L195 K200 R201 M202 V223 Y225	R194-A198 PolarHBondContact O-N 3.05Å; R194-A198 VanDerWaalsContact O-N 3.1Å; L195-A198 PolarHBondContact O-N 3.39Å; L195-A198 VanDerWaalsContact O-N 3.1Å; A198-K200 PolarHBondContact O-N 3.05Å; A198-R201 PolarHBondContact O-N 2.91Å; A198-M202 PolarHBondContact O-N 2.9Å; A198-V223 HydrophobicContact CB-CG1 4.4Å; A198-Y225 HydrophobicContact CB-CD1 3.53Å; A198-Y225 HydrophobicContact CB-CE1 3.56Å; A198-Y225 HydrophobicContact CB-CG 4.41Å
199	I	78.9	Confident	69.1	Low	42 Å²	42	84.9 Å²	84.9	22%	0.215	42%	0.416	C	S	.	.	H	α-helix	trans	-58.8	-45.3	177.9	-64	168.1	0	0	0	111.4	L195 E196 R201 M202 S203 I279	L195-I199 HydrophobicContact CD1-CD1 3.93Å; L195-I199 HydrophobicContact CD1-CG1 4.19Å; L195-I199 HydrophobicContact CG-CD1 3.96Å; L195-I199 WeakPolarHBondContact O-CG1 3.38Å; L195-I199 PolarHBondContact O-N 2.86Å; E196-I199 PolarHBondContact O-N 2.74Å; I199-R201 VanDerWaalsContact C-N 3.3Å; I199-R201 PolarHBondContact O-N 3.38Å; I199-M202 PolarHBondContact O-N 2.57Å; I199-S203 PolarHBondContact O-N 2.81Å; I199-I279 HydrophobicContact CD1-CG2 4.04Å; I199-I279 HydrophobicContact CG1-CG2 3.85Å; I199-I279 HydrophobicContact CG2-CG2 4.12Å
200	K	76.7	Confident	67.2	Low	100 Å²	100	88.2 Å²	88.2	44%	0.435	44%	0.444	S	S	.	.	H	α-helix	trans	-61.7	-33.8	178.4	-77.4	174.6	178.4	168.2	0	113.2	E196 A198 S203	E196-K200 VanDerWaalsContact CD-CE 3.43Å; E196-K200 HydrophobicContact CG-CD 4.3Å; E196-K200 WeakPolarHBondContact O-CB 3.46Å; E196-K200 WeakPolarHBondContact O-CG 3.42Å; E196-K200 PolarHBondContact O-N 3.46Å; E196-K200 WeakPolarHBondContact OE1-CE 3.44Å; E196-K200 IonicContact OE1-NZ 2.65Å; E196-K200 PolarHBondContact OE1-NZ 3Å; E196-K200 IonicContact OE2-NZ 2.84Å; E196-K200 PolarHBondContact OE2-NZ 2.99Å; A198-K200 PolarHBondContact O-N 3.05Å; K200-S203 PolarHBondContact O-N 3.17Å
201	R	70.8	Confident	65.4	Low	134 Å²	134	88.7 Å²	88.7	51%	0.506	45%	0.453	S	S	.	.	H	α-helix	trans	-66.6	-42.9	177.2	-75.6	173.2	-178.3	134.5	-11.1	112.5	K197 A198 I199 S203 H204	K197-R201 WeakPolarHBondContact O-CG 3.47Å; K197-R201 PolarHBondContact O-N 3.36Å; A198-R201 PolarHBondContact O-N 2.91Å; I199-R201 VanDerWaalsContact C-N 3.3Å; I199-R201 PolarHBondContact O-N 3.38Å; R201-S203 VanDerWaalsContact C-N 3.33Å; R201-S203 PolarHBondContact O-N 3.4Å; R201-H204 PolarHBondContact O-N 3.33Å
202	M	59.8	Low	63.1	Low	84 Å²	84	94.2 Å²	94.2	41%	0.414	48%	0.477	S	S	.	.	H	α-helix	trans	-57.6	-46.3	175.2	-77.1	-159.2	-74.6	0	0	112	A198 I199 H204 H205 Y225 I279	A198-M202 PolarHBondContact O-N 2.9Å; I199-M202 PolarHBondContact O-N 2.57Å; M202-H204 PolarHBondContact O-N 2.95Å; M202-H205 PolarHBondContact O-N 2.92Å; M202-H205 VanDerWaalsContact O-N 3.16Å; M202-Y225 HydrophobicContact CE-CE1 4.16Å; M202-Y225 WeakPolarHBondContact CE-OH 3.46Å; M202-Y225 VanDerWaalsContact CG-OH 3.24Å; M202-Y225 WeakPolarHBondContact CG-OH 3.43Å; M202-Y225 PolarHBondContact SD-OH 2.82Å; M202-I279 HydrophobicContact CE-CG2 4.43Å; M202-I279 WeakPolarHBondContact CE-O 3.28Å
203	S	58.3	Low	60.9	Low	85 Å²	85	99.8 Å²	99.8	59%	0.594	51%	0.507	S	S	*	.	H	α-helix	trans	-57.1	-33.7	-177.5	174.8	0	0	0	0	113.3	I199 K200 R201	I199-S203 PolarHBondContact O-N 2.81Å; K200-S203 PolarHBondContact O-N 3.17Å; R201-S203 VanDerWaalsContact C-N 3.33Å; R201-S203 PolarHBondContact O-N 3.4Å
204	H	51.9	Low	58.7	Low	159 Å²	159	106.3 Å²	106.3	74%	0.736	53%	0.533	S	S	*	.	H	α-helix	trans	-82.1	-17.8	-178.8	-81.5	30.1	0	0	0	114.9	R201 M202	R201-H204 PolarHBondContact O-N 3.33Å; M202-H204 PolarHBondContact O-N 2.95Å
205	H	46.7	Very low	56.8	Low	119 Å²	119	106.5 Å²	106.5	55%	0.551	54%	0.542	S	S	*	.	H	α-helix	trans	-83.4	-19.4	175.8	-82.3	-27.5	0	0	0	113.9	M202 R207	M202-H205 PolarHBondContact O-N 2.92Å; M202-H205 VanDerWaalsContact O-N 3.16Å; H205-R207 PolarHBondContact O-N 3.45Å
206	N	45.4	Very low	54.5	Low	140 Å²	140	109.7 Å²	109.7	75%	0.749	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	43.6	-178.7	-162.1	20.8	0	0	0	114.3
207	R	47.6	Very low	52.4	Low	227 Å²	227	110.2 Å²	110.2	86%	0.857	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.4	-22.2	174.5	-76.1	-169.5	173.1	-175.6	-2.1	115.3	H205	H205-R207 PolarHBondContact O-N 3.45Å
208	N	41.6	Very low	50.4	Low	134 Å²	134	113.8 Å²	113.8	72%	0.717	59%	0.591	S	S	*	*			trans	-119.1	77.7	-177.5	-73.6	0.1	0	0	0	111.6	S210	N208-S210 VanDerWaalsContact C-N 3.28Å; N208-S210 PolarHBondContact O-N 3.41Å; N208-S210 VanDerWaalsContact O-N 3.11Å
209	S	40.1	Very low	48.7	Very low	117 Å²	117	116.9 Å²	116.9	82%	0.818	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	4.3	-164.7	-138.8	0	0	0	0	117
210	S	44.5	Very low	46.9	Very low	119 Å²	119	120.5 Å²	120.5	83%	0.832	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-21.1	-171.9	54.6	0	0	0	0	115.6	N208 F212	N208-S210 VanDerWaalsContact C-N 3.28Å; N208-S210 PolarHBondContact O-N 3.41Å; N208-S210 VanDerWaalsContact O-N 3.11Å; S210-F212 VanDerWaalsContact C-N 3.35Å
211	A	40.3	Very low	45.4	Very low	81 Å²	81	122.4 Å²	122.4	67%	0.669	64%	0.644	S	S	*	*	S	Bend	trans	-89.4	2.2	-177.3	0	0	0	0	0	114	I213	A211-I213 PolarHBondContact O-N 2.94Å
212	F	40.4	Very low	44.1	Very low	118 Å²	118	121.9 Å²	121.9	52%	0.518	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79	-23.9	-156.9	-153.3	-109.6	0	0	0	115.2	S210 L216	S210-F212 VanDerWaalsContact C-N 3.35Å; F212-L216 HydrophobicContact CD1-CD1 3.93Å; F212-L216 HydrophobicContact CE1-CD1 3.44Å; F212-L216 VanDerWaalsContact CE1-CD1 3.44Å; F212-L216 HydrophobicContact CE1-CD2 4.37Å; F212-L216 HydrophobicContact CE2-CD1 4.22Å; F212-L216 HydrophobicContact CZ-CD1 3.6Å
213	I	41.3	Very low	43.7	Very low	146 Å²	146	119.5 Å²	119.5	75%	0.749	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-30.8	-167.5	-66.1	176.3	0	0	0	113.3	A211	A211-I213 PolarHBondContact O-N 2.94Å
214	F	37.2	Very low	43.8	Very low	192 Å²	192	120.1 Å²	120.1	84%	0.842	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-18.6	-170	-75.2	-78.7	0	0	0	115.9
215	N	42.5	Very low	44.7	Very low	108 Å²	108	115.2 Å²	115.2	58%	0.578	62%	0.621	S	S	*	*	S	Bend	trans	-111.6	8.8	-178.4	-83.8	0.2	0	0	0	114.3	A217 E218 V219	N215-A217 PolarHBondContact O-N 3.38Å; N215-E218 PolarHBondContact O-N 2.76Å; N215-V219 PolarHBondContact O-N 3.41Å
216	L	39	Very low	46.3	Very low	67 Å²	67	109.6 Å²	109.6	35%	0.351	60%	0.595	S	S	.	*	H	α-helix	trans	-63.7	-39.3	-166.3	-163.4	61.3	0	0	0	113.6	F212 E218 L220	F212-L216 HydrophobicContact CD1-CD1 3.93Å; F212-L216 HydrophobicContact CE1-CD1 3.44Å; F212-L216 VanDerWaalsContact CE1-CD1 3.44Å; F212-L216 HydrophobicContact CE1-CD2 4.37Å; F212-L216 HydrophobicContact CE2-CD1 4.22Å; F212-L216 HydrophobicContact CZ-CD1 3.6Å; L216-E218 PolarHBondContact O-N 3.36Å; L216-L220 HydrophobicContact CD1-CD1 4.37Å; L216-L220 HydrophobicContact CD1-CG 4.41Å; L216-L220 HydrophobicContact CD2-CD1 4.48Å; L216-L220 HydrophobicContact CG-CD1 3.85Å; L216-L220 HydrophobicContact CG-CG 4.32Å; L216-L220 WeakPolarHBondContact O-CB 3.31Å; L216-L220 VanDerWaalsContact O-CG 3.23Å; L216-L220 WeakPolarHBondContact O-CG 3.39Å; L216-L220 PolarHBondContact O-N 2.77Å
217	A	38.9	Very low	48.2	Very low	74 Å²	74	105.1 Å²	105.1	61%	0.612	58%	0.575	S	S	*	*	H	α-helix	trans	-65.8	-38.2	-177.8	0	0	0	0	0	113.6	N215 N221	N215-A217 PolarHBondContact O-N 3.38Å; A217-N221 PolarHBondContact O-N 3.49Å
218	E	37.8	Very low	50.1	Low	143 Å²	143	97.6 Å²	97.6	67%	0.668	55%	0.548	S	S	*	.	H	α-helix	trans	-78.3	-29.5	-175.3	-164.2	168.6	-136	0	0	112.3	N215 L216 N222	N215-E218 PolarHBondContact O-N 2.76Å; L216-E218 PolarHBondContact O-N 3.36Å; E218-N222 PolarHBondContact O-ND2 3.31Å
219	V	41.9	Very low	52.2	Low	65 Å²	65	98.3 Å²	98.3	39%	0.394	55%	0.547	S	S	.	.	H	α-helix	trans	-80.3	-38.6	175	-179	0	0	0	0	111.8	N215 N221 N222	N215-V219 PolarHBondContact O-N 3.41Å; V219-N221 VanDerWaalsContact C-N 3.29Å; V219-N221 PolarHBondContact O-N 2.67Å; V219-N222 PolarHBondContact O-N 2.83Å
220	L	42.9	Very low	54.4	Low	118 Å²	118	94.9 Å²	94.9	62%	0.618	52%	0.52	S	S	*	.	H	α-helix	trans	-60.9	-37	177.7	-76.9	174.4	0	0	0	112.5	L216 N222 V223	L216-L220 HydrophobicContact CD1-CD1 4.37Å; L216-L220 HydrophobicContact CD1-CG 4.41Å; L216-L220 HydrophobicContact CD2-CD1 4.48Å; L216-L220 HydrophobicContact CG-CD1 3.85Å; L216-L220 HydrophobicContact CG-CG 4.32Å; L216-L220 WeakPolarHBondContact O-CB 3.31Å; L216-L220 VanDerWaalsContact O-CG 3.23Å; L216-L220 WeakPolarHBondContact O-CG 3.39Å; L216-L220 PolarHBondContact O-N 2.77Å; L220-N222 PolarHBondContact O-N 2.97Å; L220-N222 VanDerWaalsContact O-N 3.09Å; L220-V223 PolarHBondContact O-N 3.04Å
221	N	43.5	Very low	56.5	Low	141 Å²	141	89.3 Å²	89.3	75%	0.754	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.8	174.9	-76.1	-14.3	0	0	0	114.3	A217 V219	A217-N221 PolarHBondContact O-N 3.49Å; V219-N221 VanDerWaalsContact C-N 3.29Å; V219-N221 PolarHBondContact O-N 2.67Å
222	N	44.4	Very low	58.9	Low	122 Å²	122	88.8 Å²	88.8	65%	0.652	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	4.4	-173.1	-78.6	-69.8	0	0	0	114.7	E218 V219 L220	E218-N222 PolarHBondContact O-ND2 3.31Å; V219-N222 PolarHBondContact O-N 2.83Å; L220-N222 PolarHBondContact O-N 2.97Å; L220-N222 VanDerWaalsContact O-N 3.09Å
223	V	51.4	Low	61.2	Low	35 Å²	35	85 Å²	85	21%	0.212	45%	0.448	C	S	.	.			trans	-125.4	66.3	176.3	-166.8	0	0	0	0	111.2	A198 L220 Y225	A198-V223 HydrophobicContact CB-CG1 4.4Å; L220-V223 PolarHBondContact O-N 3.04Å; V223-Y225 PolarHBondContact O-N 3.38Å
224	S	61	Low	63.6	Low	97 Å²	97	78.5 Å²	78.5	68%	0.678	42%	0.415	S	S	*	.			trans	-65.2	115.7	168.2	163.6	0	0	0	0	110.5
225	Y	70.1	Confident	66.3	Low	56 Å²	56	69.5 Å²	69.5	22%	0.22	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-64.9	152.5	156.3	-59.3	-83.5	0	0	0	109.1	A198 M202 V223 S227 V280	A198-Y225 HydrophobicContact CB-CD1 3.53Å; A198-Y225 HydrophobicContact CB-CE1 3.56Å; A198-Y225 HydrophobicContact CB-CG 4.41Å; M202-Y225 HydrophobicContact CE-CE1 4.16Å; M202-Y225 WeakPolarHBondContact CE-OH 3.46Å; M202-Y225 VanDerWaalsContact CG-OH 3.24Å; M202-Y225 WeakPolarHBondContact CG-OH 3.43Å; M202-Y225 PolarHBondContact SD-OH 2.82Å; V223-Y225 PolarHBondContact O-N 3.38Å; Y225-S227 PolarHBondContact O-N 3.17Å; Y225-V280 HydrophobicContact CD1-CG1 4.05Å; Y225-V280 HydrophobicContact CD1-CG2 3.76Å; Y225-V280 HydrophobicContact CD2-CG1 4.49Å; Y225-V280 HydrophobicContact CE1-CG2 4.21Å; Y225-V280 HydrophobicContact CG-CG1 3.92Å; Y225-V280 HydrophobicContact CG-CG2 4.46Å
226	P	81.5	Confident	68.7	Low	1 Å²	1	67 Å²	67	1%	0.006	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-54.7	138.5	160.4	-19.8	33.2	0	0	0	109.5	F191 R194 L195 D230 Y283	F191-P226 HydrophobicContact CD2-CB 3.67Å; F191-P226 HydrophobicContact CD2-CG 4.02Å; F191-P226 HydrophobicContact CE2-CB 3.33Å; F191-P226 HydrophobicContact CE2-CG 3.88Å; F191-P226 HydrophobicContact CZ-CB 4.2Å; F191-P226 HydrophobicContact CZ-CG 4.45Å; R194-P226 HydrophobicContact CB-CG 3.85Å; L195-P226 HydrophobicContact CB-CG 4.19Å; P226-D230 HydrophobicContact CB-CB 3.72Å; P226-Y283 WeakPolarHBondContact O-CE1 3.43Å; P226-Y283 PolarHBondContact O-OH 3.41Å
227	S	84.3	Confident	71.2	Confident	46 Å²	46	64.2 Å²	64.2	32%	0.322	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-65.3	166.8	-175.6	80.2	0	0	0	0	111.9	Y225 Q229 D230 A231	Y225-S227 PolarHBondContact O-N 3.17Å; S227-Q229 PolarHBondContact O-N 2.79Å; S227-Q229 PolarHBondContact OG-N 2.7Å; S227-Q229 VanDerWaalsContact OG-N 3.14Å; S227-D230 VanDerWaalsContact CB-OD1 3.27Å; S227-D230 WeakPolarHBondContact CB-OD1 3.22Å; S227-D230 VanDerWaalsContact N-CG 3.26Å; S227-D230 PolarHBondContact N-OD1 3.4Å; S227-D230 WeakPolarHBondContact O-CB 3.37Å; S227-D230 PolarHBondContact O-N 2.87Å; S227-D230 VanDerWaalsContact O-N 3.11Å; S227-D230 PolarHBondContact OG-N 3.39Å; S227-D230 PolarHBondContact OG-OD1 3.42Å; S227-A231 PolarHBondContact O-N 2.88Å
228	K	86.6	Confident	73.8	Confident	70 Å²	70	60.8 Å²	60.8	30%	0.304	32%	0.315	S	S	.	.	H	α-helix	trans	-54	-35.6	168.7	-173.8	176.6	-177.3	163.8	0	111.8	A231 Q232 D282 D284 M287	K228-A231 PolarHBondContact O-N 2.83Å; K228-Q232 WeakPolarHBondContact O-CB 3.22Å; K228-Q232 VanDerWaalsContact O-CG 3.25Å; K228-Q232 WeakPolarHBondContact O-CG 3.33Å; K228-Q232 PolarHBondContact O-N 3.03Å; K228-D282 WeakPolarHBondContact CD-O 3.47Å; K228-D284 WeakPolarHBondContact CE-OD2 3.27Å; K228-D284 IonicContact NZ-OD1 2.58Å; K228-D284 PolarHBondContact NZ-OD1 2.71Å; K228-D284 IonicContact NZ-OD2 2.7Å; K228-D284 PolarHBondContact NZ-OD2 2.74Å; K228-M287 HydrophobicContact CG-SD 3.98Å
229	Q	86.7	Confident	76.4	Confident	148 Å²	148	54 Å²	54	69%	0.692	28%	0.283	S	S	*	.	H	α-helix	trans	-71.9	-39.3	176.4	-64.7	176.4	-17.3	0	0	112.2	S227 A231 Q232 E233	S227-Q229 PolarHBondContact O-N 2.79Å; S227-Q229 PolarHBondContact OG-N 2.7Å; S227-Q229 VanDerWaalsContact OG-N 3.14Å; Q229-A231 VanDerWaalsContact C-N 3.28Å; Q229-A231 PolarHBondContact O-N 3.04Å; Q229-Q232 PolarHBondContact O-N 2.95Å; Q229-E233 WeakPolarHBondContact O-CB 3.12Å; Q229-E233 PolarHBondContact O-N 2.69Å
230	D	86.1	Confident	78.8	Confident	46 Å²	46	52.7 Å²	52.7	25%	0.246	27%	0.271	C	S	.	.	H	α-helix	trans	-56.3	-47.2	171.4	-61.4	40.9	0	0	0	109.7	F191 R194 P226 S227 I234	F191-D230 HydrophobicContact CD2-CB 4.07Å; F191-D230 HydrophobicContact CE2-CB 3.91Å; R194-D230 IonicContact CZ-OD2 3.22Å; R194-D230 IonicContact NH1-OD2 3.78Å; R194-D230 PolarHBondContact NH1-OD2 2.82Å; R194-D230 IonicContact NH2-OD2 2.83Å; R194-D230 PolarHBondContact NH2-OD2 3.46Å; P226-D230 HydrophobicContact CB-CB 3.72Å; S227-D230 VanDerWaalsContact CB-OD1 3.27Å; S227-D230 WeakPolarHBondContact CB-OD1 3.22Å; S227-D230 VanDerWaalsContact N-CG 3.26Å; S227-D230 PolarHBondContact N-OD1 3.4Å; S227-D230 WeakPolarHBondContact O-CB 3.37Å; S227-D230 PolarHBondContact O-N 2.87Å; S227-D230 VanDerWaalsContact O-N 3.11Å; S227-D230 PolarHBondContact OG-N 3.39Å; S227-D230 PolarHBondContact OG-OD1 3.42Å; D230-I234 WeakPolarHBondContact O-CB 3.16Å; D230-I234 WeakPolarHBondContact O-CG1 3.47Å; D230-I234 PolarHBondContact O-N 2.89Å
231	A	89.1	Confident	81.2	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-43.9	-178.6	0	0	0	0	0	111.9	F191 S227 K228 Q229 I234 I235 Y283 M287	F191-A231 VanDerWaalsContact CE2-CA 3.48Å; F191-A231 HydrophobicContact CE2-CB 3.88Å; F191-A231 HydrophobicContact CZ-CB 3.67Å; S227-A231 PolarHBondContact O-N 2.88Å; K228-A231 PolarHBondContact O-N 2.83Å; Q229-A231 VanDerWaalsContact C-N 3.28Å; Q229-A231 PolarHBondContact O-N 3.04Å; A231-I234 PolarHBondContact O-N 2.89Å; A231-I235 VanDerWaalsContact O-CD1 3.3Å; A231-I235 WeakPolarHBondContact O-CD1 3.35Å; A231-I235 VanDerWaalsContact O-CG1 3.26Å; A231-I235 WeakPolarHBondContact O-CG1 3.4Å; A231-I235 PolarHBondContact O-N 2.86Å; A231-Y283 HydrophobicContact CB-CD1 4.46Å; A231-Y283 HydrophobicContact CB-CE1 3.95Å; A231-Y283 HydrophobicContact CB-CE2 4Å; A231-M287 HydrophobicContact CB-CE 3.58Å; A231-M287 HydrophobicContact CB-SD 4.21Å
232	Q	90.5	Very high	83.5	Confident	69 Å²	69	40.4 Å²	40.4	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-58.6	-53.1	174.8	-75.9	172.4	-25.2	0	0	111.5	K228 Q229 I234 I235 R236 M287 I291	K228-Q232 WeakPolarHBondContact O-CB 3.22Å; K228-Q232 VanDerWaalsContact O-CG 3.25Å; K228-Q232 WeakPolarHBondContact O-CG 3.33Å; K228-Q232 PolarHBondContact O-N 3.03Å; Q229-Q232 PolarHBondContact O-N 2.95Å; Q232-I234 VanDerWaalsContact C-N 3.28Å; Q232-I234 PolarHBondContact O-N 3Å; Q232-I235 PolarHBondContact O-N 2.87Å; Q232-I235 VanDerWaalsContact O-N 3.09Å; Q232-R236 WeakPolarHBondContact O-CG 3.48Å; Q232-R236 PolarHBondContact O-N 3.42Å; Q232-M287 HydrophobicContact CG-CG 4.12Å; Q232-M287 HydrophobicContact CG-SD 3.89Å; Q232-I291 HydrophobicContact CB-CD1 4.11Å; Q232-I291 HydrophobicContact CG-CD1 3.91Å; Q232-I291 HydrophobicContact CG-CG1 4.47Å
233	E	89.6	Confident	85.8	Confident	38 Å²	38	34.9 Å²	34.9	18%	0.178	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-31.7	-179	178.1	61.2	-176.2	0	0	112.6	Q229 R236 K237 Y336 Q339	Q229-E233 WeakPolarHBondContact O-CB 3.12Å; Q229-E233 PolarHBondContact O-N 2.69Å; E233-R236 WeakPolarHBondContact O-CB 3.46Å; E233-R236 PolarHBondContact O-N 3.09Å; E233-R236 WeakPolarHBondContact OE2-CD 3.46Å; E233-R236 IonicContact OE2-NE 3.48Å; E233-K237 HydrophobicContact CG-CD 4.35Å; E233-K237 WeakPolarHBondContact O-CB 3.36Å; E233-K237 WeakPolarHBondContact O-CG 3.27Å; E233-K237 PolarHBondContact O-N 2.55Å; E233-K237 WeakPolarHBondContact OE1-CE 3.2Å; E233-K237 IonicContact OE1-NZ 2.9Å; E233-Y336 PolarHBondContact OE1-OH 3.01Å; E233-Y336 WeakPolarHBondContact OE2-CE2 3.2Å; E233-Y336 PolarHBondContact OE2-OH 3.14Å; E233-Q339 PolarHBondContact OE1-N 3Å
234	I	91.5	Very high	87.5	Confident	10 Å²	10	33.3 Å²	33.3	5%	0.051	17%	0.167	C	C	.	.	H	α-helix	trans	-69.6	-38.1	173.7	-69.8	-74.2	0	0	0	111.6	D187 I188 F191 D230 A231 Q232 K237 V238 L271	D187-I234 HydrophobicContact CB-CD1 3.86Å; D187-I234 WeakPolarHBondContact O-CD1 3.3Å; I188-I234 HydrophobicContact CG1-CG2 4.24Å; F191-I234 HydrophobicContact CB-CB 4.47Å; F191-I234 HydrophobicContact CB-CD1 3.73Å; F191-I234 HydrophobicContact CB-CG1 3.68Å; F191-I234 HydrophobicContact CB-CG2 4.21Å; F191-I234 HydrophobicContact CD1-CB 4.44Å; F191-I234 HydrophobicContact CD1-CG1 4.45Å; F191-I234 HydrophobicContact CD1-CG2 3.93Å; F191-I234 HydrophobicContact CD2-CB 4.29Å; F191-I234 HydrophobicContact CD2-CG1 3.7Å; F191-I234 HydrophobicContact CE1-CG2 4.48Å; F191-I234 HydrophobicContact CE2-CG1 4.44Å; F191-I234 HydrophobicContact CG-CB 4.16Å; F191-I234 HydrophobicContact CG-CD1 4.31Å; F191-I234 HydrophobicContact CG-CG1 3.7Å; F191-I234 HydrophobicContact CG-CG2 4.01Å; D230-I234 WeakPolarHBondContact O-CB 3.16Å; D230-I234 WeakPolarHBondContact O-CG1 3.47Å; D230-I234 PolarHBondContact O-N 2.89Å; A231-I234 PolarHBondContact O-N 2.89Å; Q232-I234 VanDerWaalsContact C-N 3.28Å; Q232-I234 PolarHBondContact O-N 3Å; I234-K237 HydrophobicContact CD1-CD 4.36Å; I234-K237 PolarHBondContact O-N 3.07Å; I234-V238 VanDerWaalsContact O-CG2 3.31Å; I234-V238 WeakPolarHBondContact O-CG2 3.14Å; I234-V238 PolarHBondContact O-N 3.26Å; I234-L271 HydrophobicContact CG2-CD1 4.46Å
235	I	92.8	Very high	88.9	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.015	14%	0.135	C	C	.	.	H	α-helix	trans	-65.6	-40.2	172.6	-63.9	155.7	0	0	0	110.4	A231 Q232 K237 V238 K239 L271 M287 V288 I291 W322	A231-I235 VanDerWaalsContact O-CD1 3.3Å; A231-I235 WeakPolarHBondContact O-CD1 3.35Å; A231-I235 VanDerWaalsContact O-CG1 3.26Å; A231-I235 WeakPolarHBondContact O-CG1 3.4Å; A231-I235 PolarHBondContact O-N 2.86Å; Q232-I235 PolarHBondContact O-N 2.87Å; Q232-I235 VanDerWaalsContact O-N 3.09Å; I235-K237 PolarHBondContact O-N 2.7Å; I235-V238 PolarHBondContact O-N 3.07Å; I235-K239 WeakPolarHBondContact O-CG 3.36Å; I235-K239 PolarHBondContact O-N 3.47Å; I235-K239 VanDerWaalsContact O-N 3.1Å; I235-L271 HydrophobicContact CG1-CD1 3.91Å; I235-M287 HydrophobicContact CD1-CE 4.32Å; I235-M287 HydrophobicContact CD1-CG 4.35Å; I235-V288 HydrophobicContact CD1-CB 4.47Å; I235-V288 HydrophobicContact CD1-CG2 3.8Å; I235-V288 HydrophobicContact CG1-CG2 4.46Å; I235-I291 HydrophobicContact CB-CD1 3.66Å; I235-I291 HydrophobicContact CD1-CD1 3.57Å; I235-I291 HydrophobicContact CG1-CD1 4.22Å; I235-I291 HydrophobicContact CG2-CB 4.16Å; I235-I291 HydrophobicContact CG2-CD1 3.7Å; I235-I291 HydrophobicContact CG2-CG2 4.16Å; I235-W322 HydrophobicContact CG2-CH2 4.39Å; I235-W322 HydrophobicContact CG2-CZ2 3.78Å
236	R	92.3	Very high	89.8	Confident	57 Å²	57	27.3 Å²	27.3	22%	0.215	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-45.3	172	-61.9	178.9	66	115.6	8.1	111.4	Q232 E233 K239 Y240 I291 E293 P294 Y336	Q232-R236 WeakPolarHBondContact O-CG 3.48Å; Q232-R236 PolarHBondContact O-N 3.42Å; E233-R236 WeakPolarHBondContact O-CB 3.46Å; E233-R236 PolarHBondContact O-N 3.09Å; E233-R236 WeakPolarHBondContact OE2-CD 3.46Å; E233-R236 IonicContact OE2-NE 3.48Å; R236-K239 PolarHBondContact O-N 2.86Å; R236-Y240 PolarHBondContact O-N 3.47Å; R236-I291 HydrophobicContact CG-CG2 3.7Å; R236-E293 WeakPolarHBondContact CG-O 3.33Å; R236-E293 IonicContact CZ-OE2 3.5Å; R236-E293 VanDerWaalsContact CZ-OE2 3.27Å; R236-E293 IonicContact NH1-OE2 2.76Å; R236-E293 PolarHBondContact NH1-OE2 2.93Å; R236-E293 VanDerWaalsContact NH2-CB 3.29Å; R236-E293 IonicContact NH2-OE2 3.38Å; R236-E293 PolarHBondContact NH2-OE2 3.35Å; R236-P294 WeakPolarHBondContact O-CD 3.37Å; R236-Y336 HydrophobicContact CB-CE1 3.95Å; R236-Y336 HydrophobicContact CB-CE2 4.08Å; R236-Y336 WeakPolarHBondContact CB-OH 3.41Å; R236-Y336 VanDerWaalsContact NE-CE2 3.25Å
237	K	91.8	Very high	89.9	Confident	8 Å²	8	30.5 Å²	30.5	4%	0.035	15%	0.145	C	C	.	.	H	α-helix	trans	-64.5	-36.3	175.6	-74.8	168.8	-176.8	160	0	113.7	C184 D187 E233 I234 I235 Y240 A241 Y336 P338 Q339 F340	C184-K237 HydrophobicContact CB-CB 4.46Å; D187-K237 HydrophobicContact CB-CD 3.96Å; D187-K237 IonicContact OD2-NZ 3.27Å; D187-K237 PolarHBondContact OD2-NZ 2.71Å; E233-K237 HydrophobicContact CG-CD 4.35Å; E233-K237 WeakPolarHBondContact O-CB 3.36Å; E233-K237 WeakPolarHBondContact O-CG 3.27Å; E233-K237 PolarHBondContact O-N 2.55Å; E233-K237 WeakPolarHBondContact OE1-CE 3.2Å; E233-K237 IonicContact OE1-NZ 2.9Å; I234-K237 HydrophobicContact CD1-CD 4.36Å; I234-K237 PolarHBondContact O-N 3.07Å; I235-K237 PolarHBondContact O-N 2.7Å; K237-Y240 PolarHBondContact O-N 3.31Å; K237-A241 WeakPolarHBondContact O-CB 3.45Å; K237-A241 PolarHBondContact O-N 3.11Å; K237-Y336 WeakPolarHBondContact CG-OH 3.49Å; K237-P338 HydrophobicContact CG-CB 4.28Å; K237-Q339 WeakPolarHBondContact CE-O 3.28Å; K237-Q339 PolarHBondContact NZ-O 2.73Å; K237-F340 HydrophobicContact CD-CD1 4.28Å; K237-F340 HydrophobicContact CD-CE1 4.26Å; K237-F340 HydrophobicContact CG-CE1 4.44Å
238	V	93.7	Very high	89.4	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-45.5	173.7	171.1	0	0	0	0	110.9	I188 I234 I235 A241 F242 T267 V268 W322	I188-V238 HydrophobicContact CD1-CB 4.47Å; I188-V238 HydrophobicContact CD1-CG2 3.56Å; I188-V238 HydrophobicContact CG1-CG2 3.84Å; I234-V238 VanDerWaalsContact O-CG2 3.31Å; I234-V238 WeakPolarHBondContact O-CG2 3.14Å; I234-V238 PolarHBondContact O-N 3.26Å; I235-V238 PolarHBondContact O-N 3.07Å; V238-A241 PolarHBondContact O-N 3.19Å; V238-F242 HydrophobicContact CG1-CD2 4.1Å; V238-F242 HydrophobicContact CG1-CE2 3.84Å; V238-F242 VanDerWaalsContact O-CD2 3.25Å; V238-F242 WeakPolarHBondContact O-CD2 3.45Å; V238-F242 PolarHBondContact O-N 3.01Å; V238-F242 VanDerWaalsContact O-N 3.12Å; V238-T267 HydrophobicContact CG2-CG2 3.69Å; V238-V268 HydrophobicContact CG1-CG2 3.54Å; V238-W322 HydrophobicContact CG1-CH2 4.28Å
239	K	93.6	Very high	89.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.8	-43.4	176	-63.8	179.5	85.2	-169	0	111.6	I235 R236 F242 N243 I291 V292 P294 L296 A321 W322	I235-K239 WeakPolarHBondContact O-CG 3.36Å; I235-K239 PolarHBondContact O-N 3.47Å; I235-K239 VanDerWaalsContact O-N 3.1Å; R236-K239 PolarHBondContact O-N 2.86Å; K239-F242 PolarHBondContact O-N 3.31Å; K239-N243 PolarHBondContact O-N 3.37Å; K239-I291 PolarHBondContact NZ-O 3.05Å; K239-V292 PolarHBondContact NZ-O 2.99Å; K239-P294 HydrophobicContact CB-CG 3.8Å; K239-P294 WeakPolarHBondContact CD-O 3.41Å; K239-P294 WeakPolarHBondContact CE-O 3.23Å; K239-P294 PolarHBondContact NZ-O 3.06Å; K239-L296 HydrophobicContact CB-CD2 4.1Å; K239-L296 VanDerWaalsContact O-CD2 3.31Å; K239-L296 WeakPolarHBondContact O-CD2 3.13Å; K239-A321 VanDerWaalsContact CE-O 3.3Å; K239-A321 WeakPolarHBondContact CE-O 3.49Å; K239-A321 PolarHBondContact NZ-O 3.5Å; K239-W322 HydrophobicContact CD-CD2 4.49Å; K239-W322 HydrophobicContact CD-CH2 4.05Å; K239-W322 HydrophobicContact CD-CZ2 3.9Å; K239-W322 HydrophobicContact CD-CZ3 4.4Å; K239-W322 HydrophobicContact CG-CE3 4.16Å; K239-W322 HydrophobicContact CG-CH2 3.36Å; K239-W322 HydrophobicContact CG-CZ2 3.75Å; K239-W322 HydrophobicContact CG-CZ3 3.59Å
240	Y	91.9	Very high	88.6	Confident	39 Å²	39	25 Å²	25	15%	0.153	12%	0.123	C	C	.	.	H	α-helix	trans	-61.9	-43.9	175.6	-171	-128.8	0	0	0	112.2	M180 R236 K237 F242 N243 L244 Y336 P338	M180-Y240 HydrophobicContact CB-CE1 4.17Å; M180-Y240 HydrophobicContact CE-CE1 3.89Å; R236-Y240 PolarHBondContact O-N 3.47Å; K237-Y240 PolarHBondContact O-N 3.31Å; Y240-F242 VanDerWaalsContact C-N 3.27Å; Y240-F242 PolarHBondContact O-N 2.89Å; Y240-N243 PolarHBondContact O-N 3.5Å; Y240-N243 VanDerWaalsContact O-N 3.16Å; Y240-L244 HydrophobicContact CD1-CD1 3.81Å; Y240-L244 HydrophobicContact CD1-CG 4.32Å; Y240-L244 HydrophobicContact CD2-CG 4.49Å; Y240-L244 HydrophobicContact CE1-CD1 3.57Å; Y240-L244 HydrophobicContact CE1-CD2 4.33Å; Y240-L244 HydrophobicContact CE1-CG 4.1Å; Y240-L244 HydrophobicContact CE2-CD2 4.21Å; Y240-L244 HydrophobicContact CE2-CG 4.27Å; Y240-L244 HydrophobicContact CG-CD1 4.42Å; Y240-L244 HydrophobicContact CG-CG 4.5Å; Y240-L244 WeakPolarHBondContact O-CG 3.34Å; Y240-L244 PolarHBondContact O-N 2.88Å; Y240-Y336 HydrophobicContact CG-CD1 4.35Å; Y240-Y336 HydrophobicContact CG-CE1 4.23Å; Y240-P338 HydrophobicContact CD1-CB 4.41Å; Y240-P338 HydrophobicContact CD1-CG 3.86Å; Y240-P338 HydrophobicContact CE1-CG 3.63Å
241	A	91.9	Very high	87.4	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.5	-30.9	177.1	0	0	0	0	0	113.4	L181 C184 K237 V238 N245 L264	L181-A241 HydrophobicContact CD1-CB 3.61Å; C184-A241 HydrophobicContact CB-CB 3.97Å; K237-A241 WeakPolarHBondContact O-CB 3.45Å; K237-A241 PolarHBondContact O-N 3.11Å; V238-A241 PolarHBondContact O-N 3.19Å; A241-N245 VanDerWaalsContact O-CB 3.26Å; A241-N245 WeakPolarHBondContact O-CB 3.49Å; A241-N245 PolarHBondContact O-N 2.94Å; A241-L264 HydrophobicContact CB-CD1 3.73Å; A241-L264 HydrophobicContact CB-CD2 3.66Å; A241-L264 HydrophobicContact CB-CG 4.37Å
242	F	93.6	Very high	86.4	Confident	1 Å²	1	25.4 Å²	25.4	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-65.3	-47.7	171.7	-85.5	-69.3	0	0	0	112.1	V238 K239 Y240 N245 E246 F261 L264 F265 V268 L296 T300 W315 W322	V238-F242 HydrophobicContact CG1-CD2 4.1Å; V238-F242 HydrophobicContact CG1-CE2 3.84Å; V238-F242 VanDerWaalsContact O-CD2 3.25Å; V238-F242 WeakPolarHBondContact O-CD2 3.45Å; V238-F242 PolarHBondContact O-N 3.01Å; V238-F242 VanDerWaalsContact O-N 3.12Å; K239-F242 PolarHBondContact O-N 3.31Å; Y240-F242 VanDerWaalsContact C-N 3.27Å; Y240-F242 PolarHBondContact O-N 2.89Å; F242-N245 PolarHBondContact O-N 3.09Å; F242-E246 PolarHBondContact O-N 3.05Å; F242-F261 HydrophobicContact CD1-CD2 4.03Å; F242-F261 HydrophobicContact CD1-CE2 4.13Å; F242-F261 AromaticContact CE1-CD2 3.78Å; F242-F261 HydrophobicContact CE1-CD2 3.78Å; F242-F261 AromaticContact CE1-CE2 3.79Å; F242-F261 HydrophobicContact CE1-CE2 3.79Å; F242-F261 HydrophobicContact CE1-CG 4.35Å; F242-F261 HydrophobicContact CE1-CZ 4.37Å; F242-L264 HydrophobicContact CD1-CB 4.31Å; F242-L264 HydrophobicContact CD1-CD1 4.11Å; F242-L264 HydrophobicContact CD2-CB 4.21Å; F242-L264 HydrophobicContact CD2-CD1 4.44Å; F242-L264 HydrophobicContact CE1-CB 3.8Å; F242-L264 HydrophobicContact CE1-CD1 4.4Å; F242-L264 HydrophobicContact CE2-CB 3.69Å; F242-L264 HydrophobicContact CG-CB 4.5Å; F242-L264 HydrophobicContact CG-CD1 4.14Å; F242-L264 HydrophobicContact CZ-CB 3.48Å; F242-L264 VanDerWaalsContact CZ-CB 3.48Å; F242-F265 HydrophobicContact CZ-CB 4.23Å; F242-V268 HydrophobicContact CE2-CG2 4.01Å; F242-L296 HydrophobicContact CB-CD2 3.92Å; F242-T300 HydrophobicContact CB-CG2 3.86Å; F242-W315 HydrophobicContact CD2-CH2 4.28Å; F242-W315 HydrophobicContact CE1-CH2 4.46Å; F242-W315 AromaticContact CE2-CH2 3.72Å; F242-W315 HydrophobicContact CE2-CH2 3.72Å; F242-W315 HydrophobicContact CE2-CZ3 4.26Å; F242-W315 AromaticContact CZ-CH2 3.81Å; F242-W315 HydrophobicContact CZ-CH2 3.81Å; F242-W315 HydrophobicContact CZ-CZ3 4.07Å; F242-W322 HydrophobicContact CD2-CZ3 4.48Å; F242-W322 HydrophobicContact CE2-CZ3 4.35Å
243	N	92.2	Very high	85.5	Confident	6 Å²	6	25.2 Å²	25.2	3%	0.032	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-44.4	176	-69.8	-8	0	0	0	111.2	K239 Y240 N245 E246 Q247 L295 L296 E297 T300	K239-N243 PolarHBondContact O-N 3.37Å; Y240-N243 PolarHBondContact O-N 3.5Å; Y240-N243 VanDerWaalsContact O-N 3.16Å; N243-N245 VanDerWaalsContact C-N 3.34Å; N243-N245 PolarHBondContact O-N 2.7Å; N243-E246 PolarHBondContact O-N 2.92Å; N243-E246 VanDerWaalsContact O-N 3.14Å; N243-Q247 WeakPolarHBondContact O-CG 3.37Å; N243-Q247 PolarHBondContact O-N 3.37Å; N243-L295 PolarHBondContact ND2-O 3.19Å; N243-L296 WeakPolarHBondContact OD1-CA 3.38Å; N243-E297 PolarHBondContact ND2-OE1 3.36Å; N243-E297 PolarHBondContact OD1-N 2.92Å; N243-T300 WeakPolarHBondContact OD1-CB 3.14Å; N243-T300 PolarHBondContact OD1-OG1 2.93Å
244	L	87.3	Confident	84.8	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-58.4	-43.3	175.5	-68.8	-179.9	0	0	0	112.4	N177 M180 L181 Y240 E246 Q247 I248	N177-L244 HydrophobicContact CB-CD2 3.88Å; N177-L244 VanDerWaalsContact OD1-CD2 3.23Å; N177-L244 WeakPolarHBondContact OD1-CD2 3.26Å; M180-L244 HydrophobicContact CB-CD1 3.66Å; L181-L244 HydrophobicContact CB-CB 4.21Å; L181-L244 HydrophobicContact CB-CD1 3.98Å; L181-L244 HydrophobicContact CD1-CB 4.41Å; Y240-L244 HydrophobicContact CD1-CD1 3.81Å; Y240-L244 HydrophobicContact CD1-CG 4.32Å; Y240-L244 HydrophobicContact CD2-CG 4.49Å; Y240-L244 HydrophobicContact CE1-CD1 3.57Å; Y240-L244 HydrophobicContact CE1-CD2 4.33Å; Y240-L244 HydrophobicContact CE1-CG 4.1Å; Y240-L244 HydrophobicContact CE2-CD2 4.21Å; Y240-L244 HydrophobicContact CE2-CG 4.27Å; Y240-L244 HydrophobicContact CG-CD1 4.42Å; Y240-L244 HydrophobicContact CG-CG 4.5Å; Y240-L244 WeakPolarHBondContact O-CG 3.34Å; Y240-L244 PolarHBondContact O-N 2.88Å; L244-E246 VanDerWaalsContact C-N 3.25Å; L244-E246 PolarHBondContact O-N 3.28Å; L244-Q247 PolarHBondContact O-N 3.3Å; L244-I248 WeakPolarHBondContact O-CG1 3.37Å; L244-I248 PolarHBondContact O-N 3.42Å
245	N	89.2	Confident	84.1	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-31.4	177.6	177.5	80	0	0	0	112.9	A241 F242 N243 I248 Q249 S257 I260	A241-N245 VanDerWaalsContact O-CB 3.26Å; A241-N245 WeakPolarHBondContact O-CB 3.49Å; A241-N245 PolarHBondContact O-N 2.94Å; F242-N245 PolarHBondContact O-N 3.09Å; N243-N245 VanDerWaalsContact C-N 3.34Å; N243-N245 PolarHBondContact O-N 2.7Å; N245-I248 WeakPolarHBondContact O-CG1 3.38Å; N245-Q249 PolarHBondContact O-N 3.36Å; N245-S257 PolarHBondContact ND2-OG 2.93Å; N245-S257 PolarHBondContact OD1-OG 3.16Å; N245-I260 HydrophobicContact CB-CG2 4.08Å; N245-I260 WeakPolarHBondContact OD1-CB 3.22Å; N245-I260 VanDerWaalsContact OD1-CG2 3.29Å; N245-I260 WeakPolarHBondContact OD1-CG2 3.39Å
246	E	89.4	Confident	83.1	Confident	27 Å²	27	33 Å²	33	13%	0.126	17%	0.165	C	C	.	.	H	α-helix	trans	-76.8	-43.5	174.2	-162.7	68.2	-177.9	0	0	111.5	F242 N243 L244 I248 Q249 A299 T303	F242-E246 PolarHBondContact O-N 3.05Å; N243-E246 PolarHBondContact O-N 2.92Å; N243-E246 VanDerWaalsContact O-N 3.14Å; L244-E246 VanDerWaalsContact C-N 3.25Å; L244-E246 PolarHBondContact O-N 3.28Å; E246-I248 VanDerWaalsContact C-N 3.3Å; E246-I248 PolarHBondContact O-N 2.83Å; E246-Q249 WeakPolarHBondContact O-CB 3.48Å; E246-Q249 PolarHBondContact O-N 3.26Å; E246-A299 HydrophobicContact CG-CB 4.12Å; E246-T303 WeakPolarHBondContact OE1-CB 3.44Å; E246-T303 PolarHBondContact OE1-OG1 2.85Å; E246-T303 WeakPolarHBondContact OE2-CB 3.43Å; E246-T303 VanDerWaalsContact OE2-CG2 3.25Å; E246-T303 WeakPolarHBondContact OE2-CG2 3.04Å
247	Q	82.9	Confident	82.5	Confident	68 Å²	68	30.2 Å²	30.2	32%	0.318	16%	0.155	S	C	.	.	H	α-helix	trans	-64.5	-30.7	178.7	-68.6	177	17.3	0	0	113.2	N177 N243 L244 E297	N177-Q247 PolarHBondContact ND2-OE1 2.93Å; N243-Q247 WeakPolarHBondContact O-CG 3.37Å; N243-Q247 PolarHBondContact O-N 3.37Å; L244-Q247 PolarHBondContact O-N 3.3Å; Q247-E297 VanDerWaalsContact NE2-CD 3.29Å; Q247-E297 PolarHBondContact NE2-OE1 2.97Å; Q247-E297 PolarHBondContact NE2-OE2 3.31Å
248	I	75	Confident	82.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.8	170.9	70.5	-175.5	0	0	0	113.5	N177 F178 L181 L244 N245 E246 P250 H251 I252	N177-I248 HydrophobicContact CB-CG2 3.67Å; F178-I248 HydrophobicContact CD1-CB 4.36Å; F178-I248 HydrophobicContact CD1-CD1 3.86Å; F178-I248 HydrophobicContact CD1-CG2 4.1Å; F178-I248 HydrophobicContact CE1-CB 3.86Å; F178-I248 HydrophobicContact CE1-CD1 3.72Å; F178-I248 HydrophobicContact CE1-CG1 4.21Å; F178-I248 HydrophobicContact CE1-CG2 4.06Å; F178-I248 HydrophobicContact CG-CG2 4.34Å; F178-I248 HydrophobicContact CZ-CB 4.04Å; F178-I248 HydrophobicContact CZ-CG2 4.27Å; L181-I248 HydrophobicContact CD2-CD1 3.33Å; L244-I248 WeakPolarHBondContact O-CG1 3.37Å; L244-I248 PolarHBondContact O-N 3.42Å; N245-I248 WeakPolarHBondContact O-CG1 3.38Å; E246-I248 VanDerWaalsContact C-N 3.3Å; E246-I248 PolarHBondContact O-N 2.83Å; I248-P250 VanDerWaalsContact C-N 3.3Å; I248-H251 WeakPolarHBondContact O-CA 3.5Å; I248-H251 PolarHBondContact O-N 3.42Å; I248-I252 HydrophobicContact CD1-CD1 3.94Å; I248-I252 HydrophobicContact CG1-CD1 3.84Å; I248-I252 HydrophobicContact CG1-CG1 4.45Å; I248-I252 PolarHBondContact O-N 3.29Å
249	Q	80.9	Confident	81.6	Confident	54 Å²	54	36 Å²	36	25%	0.252	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-53.1	-37.6	-174.3	-163.1	-94.7	-102	0	0	113.5	N245 E246 H251	N245-Q249 PolarHBondContact O-N 3.36Å; E246-Q249 WeakPolarHBondContact O-CB 3.48Å; E246-Q249 PolarHBondContact O-N 3.26Å; Q249-H251 PolarHBondContact O-N 2.89Å
250	P	75.3	Confident	81.2	Confident	93 Å²	93	36.1 Å²	36.1	60%	0.604	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-66.2	-17.1	175.5	-21.4	34.1	0	0	0	114.8	I248	I248-P250 VanDerWaalsContact C-N 3.3Å
251	H	60.9	Low	81.1	Confident	42 Å²	42	34.7 Å²	34.7	19%	0.194	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-108.8	-1.6	-171.9	-60.9	-87.4	0	0	0	113.9	Y172 F178 I248 Q249 H696	Y172-H251 AromaticContact CD1-NE2 3.92Å; Y172-H251 AromaticContact CE1-CD2 3.83Å; Y172-H251 AromaticContact CE1-CE1 3.77Å; Y172-H251 AromaticContact CE1-NE2 3.08Å; Y172-H251 WeakPolarHBondContact CE1-NE2 3.42Å; Y172-H251 AromaticContact CZ-CE1 3.93Å; Y172-H251 AromaticContact CZ-NE2 3.21Å; Y172-H251 PolarHBondContact OH-NE2 3.47Å; F178-H251 HydrophobicContact CZ-CB 4.22Å; I248-H251 WeakPolarHBondContact O-CA 3.5Å; I248-H251 PolarHBondContact O-N 3.42Å; Q249-H251 PolarHBondContact O-N 2.89Å; H251-H696 AromaticContact CG-CE1 3.96Å; H251-H696 AromaticContact ND1-CE1 3.23Å; H251-H696 PolarHBondContact ND1-CE1 3.48Å; H251-H696 AromaticContact ND1-ND1 3.58Å; H251-H696 AromaticContact ND1-NE2 3.5Å
252	I	67.6	Low	80.9	Confident	15 Å²	15	39.1 Å²	39.1	8%	0.077	20%	0.198	C	C	.	.	S	Bend	trans	-123.1	146.9	176.2	55.4	178.9	0	0	0	112	F178 I248 E254 I256 I260	F178-I252 HydrophobicContact CE1-CG2 3.45Å; F178-I252 VanDerWaalsContact CE1-CG2 3.45Å; F178-I252 HydrophobicContact CZ-CG2 3.63Å; I248-I252 HydrophobicContact CD1-CD1 3.94Å; I248-I252 HydrophobicContact CG1-CD1 3.84Å; I248-I252 HydrophobicContact CG1-CG1 4.45Å; I248-I252 PolarHBondContact O-N 3.29Å; I252-E254 PolarHBondContact O-N 2.96Å; I252-I256 HydrophobicContact CD1-CG2 4.12Å; I252-I260 HydrophobicContact CD1-CD1 4.48Å
253	P	71.5	Confident	80.6	Confident	65 Å²	65	41.4 Å²	41.4	42%	0.422	21%	0.206	S	C	.	.			trans	-51.5	133.9	165.9	-25.9	33.6	0	0	0	111.1	E255 I256	P253-E255 PolarHBondContact O-N 3.1Å; P253-I256 HydrophobicContact CB-CD1 4.23Å; P253-I256 HydrophobicContact CG-CD1 4.1Å; P253-I256 WeakPolarHBondContact O-CB 3.44Å; P253-I256 PolarHBondContact O-N 3.28Å
254	E	76.1	Confident	80.6	Confident	74 Å²	74	41.2 Å²	41.2	35%	0.346	21%	0.205	S	C	.	.	H	α-helix	trans	-57.3	-32.6	-168.8	-148	-145	155.1	0	0	113	I252 I256 S257 K258 R307	I252-E254 PolarHBondContact O-N 2.96Å; E254-I256 PolarHBondContact O-N 2.93Å; E254-S257 WeakPolarHBondContact O-CB 3.22Å; E254-S257 PolarHBondContact O-N 3.34Å; E254-K258 WeakPolarHBondContact O-CG 3.32Å; E254-K258 PolarHBondContact O-N 3.38Å; E254-K258 WeakPolarHBondContact OE1-CE 3.46Å; E254-K258 IonicContact OE1-NZ 2.71Å; E254-K258 WeakPolarHBondContact OE2-CE 3.41Å; E254-K258 IonicContact OE2-NZ 2.63Å; E254-K258 PolarHBondContact OE2-NZ 2.74Å; E254-R307 IonicContact OE1-CZ 2.92Å; E254-R307 VanDerWaalsContact OE1-CZ 3.27Å; E254-R307 IonicContact OE1-NH1 3.37Å; E254-R307 PolarHBondContact OE1-NH1 3Å; E254-R307 IonicContact OE1-NH2 3.63Å; E254-R307 PolarHBondContact OE1-NH2 3.33Å
255	E	75.9	Confident	80.8	Confident	113 Å²	113	41.5 Å²	41.5	53%	0.528	21%	0.206	S	C	.	.	H	α-helix	trans	-61.3	-27.4	177.1	-53.6	-44.8	126.8	0	0	114	P253 K258 K259	P253-E255 PolarHBondContact O-N 3.1Å; E255-K258 IonicContact OE1-NZ 2.71Å; E255-K258 PolarHBondContact OE1-NZ 3.12Å; E255-K258 WeakPolarHBondContact OE2-CD 3.48Å; E255-K258 IonicContact OE2-NZ 3.64Å; E255-K259 WeakPolarHBondContact O-CG 3.42Å; E255-K259 PolarHBondContact O-N 3.31Å; E255-K259 VanDerWaalsContact O-N 3.13Å
256	I	71.4	Confident	80.8	Confident	27 Å²	27	44.3 Å²	44.3	14%	0.138	22%	0.222	C	C	.	.	H	α-helix	trans	-77.1	-44.4	175.2	-69.6	158.6	0	0	0	109.8	I252 P253 E254 K258 K259 I260 M700 L708	I252-I256 HydrophobicContact CD1-CG2 4.12Å; P253-I256 HydrophobicContact CB-CD1 4.23Å; P253-I256 HydrophobicContact CG-CD1 4.1Å; P253-I256 WeakPolarHBondContact O-CB 3.44Å; P253-I256 PolarHBondContact O-N 3.28Å; E254-I256 PolarHBondContact O-N 2.93Å; I256-K258 VanDerWaalsContact C-N 3.29Å; I256-K258 PolarHBondContact O-N 2.92Å; I256-K259 PolarHBondContact O-N 3.41Å; I256-K259 VanDerWaalsContact O-N 3.16Å; I256-I260 HydrophobicContact CG2-CD1 3.76Å; I256-I260 HydrophobicContact CG2-CG1 4.49Å; I256-I260 WeakPolarHBondContact O-CG1 3.26Å; I256-I260 PolarHBondContact O-N 3.39Å; I256-M700 HydrophobicContact CD1-CE 3.47Å; I256-M700 VanDerWaalsContact CD1-CE 3.47Å; I256-M700 HydrophobicContact CD1-SD 4.03Å; I256-L708 HydrophobicContact CG2-CD1 3.62Å
257	S	81.3	Confident	81	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.9	-41.5	173.1	-172.3	0	0	0	0	111.2	N245 E254 I260 F261	N245-S257 PolarHBondContact ND2-OG 2.93Å; N245-S257 PolarHBondContact OD1-OG 3.16Å; E254-S257 WeakPolarHBondContact O-CB 3.22Å; E254-S257 PolarHBondContact O-N 3.34Å; S257-I260 PolarHBondContact O-N 3.35Å; S257-F261 WeakPolarHBondContact O-CB 3.34Å; S257-F261 PolarHBondContact O-N 3.14Å
258	K	85	Confident	81.4	Confident	55 Å²	55	40 Å²	40	24%	0.239	20%	0.201	C	C	.	.	H	α-helix	trans	-58.5	-47.2	173	-72.3	169.5	-165.7	160.1	0	112.3	E254 E255 I256 F261 I262	E254-K258 WeakPolarHBondContact O-CG 3.32Å; E254-K258 PolarHBondContact O-N 3.38Å; E254-K258 WeakPolarHBondContact OE1-CE 3.46Å; E254-K258 IonicContact OE1-NZ 2.71Å; E254-K258 WeakPolarHBondContact OE2-CE 3.41Å; E254-K258 IonicContact OE2-NZ 2.63Å; E254-K258 PolarHBondContact OE2-NZ 2.74Å; E255-K258 IonicContact OE1-NZ 2.71Å; E255-K258 PolarHBondContact OE1-NZ 3.12Å; E255-K258 WeakPolarHBondContact OE2-CD 3.48Å; E255-K258 IonicContact OE2-NZ 3.64Å; I256-K258 VanDerWaalsContact C-N 3.29Å; I256-K258 PolarHBondContact O-N 2.92Å; K258-F261 PolarHBondContact O-N 3.19Å; K258-I262 WeakPolarHBondContact O-CB 3.01Å; K258-I262 WeakPolarHBondContact O-CD1 3.5Å; K258-I262 WeakPolarHBondContact O-CG1 3.48Å; K258-I262 PolarHBondContact O-N 3.39Å
259	K	80.6	Confident	82.1	Confident	74 Å²	74	42.3 Å²	42.3	32%	0.322	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-45.2	179	-78.2	175	179.1	-179.7	0	112.5	E255 I256 I262 R263 L708	E255-K259 WeakPolarHBondContact O-CG 3.42Å; E255-K259 PolarHBondContact O-N 3.31Å; E255-K259 VanDerWaalsContact O-N 3.13Å; I256-K259 PolarHBondContact O-N 3.41Å; I256-K259 VanDerWaalsContact O-N 3.16Å; K259-I262 PolarHBondContact O-N 2.8Å; K259-R263 WeakPolarHBondContact O-CB 3.4Å; K259-R263 PolarHBondContact O-N 2.75Å; K259-L708 HydrophobicContact CB-CD2 4.21Å
260	I	85	Confident	82.5	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-47.1	177.3	-64.7	163.9	0	0	0	110	L181 N245 I252 I256 S257 I262 R263 L264 L704 L708	L181-I260 HydrophobicContact CD1-CG2 4.39Å; L181-I260 HydrophobicContact CD2-CD1 4.25Å; L181-I260 HydrophobicContact CD2-CG2 4.28Å; N245-I260 HydrophobicContact CB-CG2 4.08Å; N245-I260 WeakPolarHBondContact OD1-CB 3.22Å; N245-I260 VanDerWaalsContact OD1-CG2 3.29Å; N245-I260 WeakPolarHBondContact OD1-CG2 3.39Å; I252-I260 HydrophobicContact CD1-CD1 4.48Å; I256-I260 HydrophobicContact CG2-CD1 3.76Å; I256-I260 HydrophobicContact CG2-CG1 4.49Å; I256-I260 WeakPolarHBondContact O-CG1 3.26Å; I256-I260 PolarHBondContact O-N 3.39Å; S257-I260 PolarHBondContact O-N 3.35Å; I260-I262 PolarHBondContact O-N 3.32Å; I260-R263 WeakPolarHBondContact O-CB 3.3Å; I260-R263 PolarHBondContact O-N 3.03Å; I260-L264 HydrophobicContact CG2-CD1 4Å; I260-L264 HydrophobicContact CG2-CG 4.42Å; I260-L264 WeakPolarHBondContact O-CG 3.36Å; I260-L264 PolarHBondContact O-N 3.4Å; I260-L704 HydrophobicContact CD1-CD2 4.44Å; I260-L708 HydrophobicContact CG1-CD2 3.92Å
261	F	90.4	Very high	83.2	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.035	19%	0.188	C	C	.	.	H	α-helix	trans	-56.2	-48.2	176.2	-178.2	-85.4	0	0	0	112.6	F242 S257 K258 R263 L264 F265 I304 R307 L308	F242-F261 HydrophobicContact CD1-CD2 4.03Å; F242-F261 HydrophobicContact CD1-CE2 4.13Å; F242-F261 AromaticContact CE1-CD2 3.78Å; F242-F261 HydrophobicContact CE1-CD2 3.78Å; F242-F261 AromaticContact CE1-CE2 3.79Å; F242-F261 HydrophobicContact CE1-CE2 3.79Å; F242-F261 HydrophobicContact CE1-CG 4.35Å; F242-F261 HydrophobicContact CE1-CZ 4.37Å; S257-F261 WeakPolarHBondContact O-CB 3.34Å; S257-F261 PolarHBondContact O-N 3.14Å; K258-F261 PolarHBondContact O-N 3.19Å; F261-R263 VanDerWaalsContact C-N 3.33Å; F261-R263 PolarHBondContact O-N 2.86Å; F261-L264 PolarHBondContact O-N 3.01Å; F261-F265 VanDerWaalsContact O-CB 3.28Å; F261-F265 WeakPolarHBondContact O-CB 3.31Å; F261-F265 PolarHBondContact O-N 3.3Å; F261-I304 HydrophobicContact CE2-CB 4.34Å; F261-I304 HydrophobicContact CE2-CG1 3.62Å; F261-I304 HydrophobicContact CZ-CB 4.36Å; F261-I304 HydrophobicContact CZ-CG1 4Å; F261-R307 HydrophobicContact CD1-CB 4.24Å; F261-R307 HydrophobicContact CE1-CB 3.71Å; F261-R307 HydrophobicContact CZ-CB 3.91Å; F261-L308 HydrophobicContact CE1-CD2 3.76Å; F261-L308 HydrophobicContact CE1-CG 3.91Å; F261-L308 HydrophobicContact CZ-CD1 4.27Å; F261-L308 HydrophobicContact CZ-CD2 4.25Å; F261-L308 HydrophobicContact CZ-CG 3.89Å
262	I	87.1	Confident	84.5	Confident	94 Å²	94	37.6 Å²	37.6	48%	0.482	18%	0.179	S	C	.	.	H	α-helix	trans	-63.9	-39.2	178.3	-69.5	163.9	0	0	0	111	K258 K259 I260 F265 N266	K258-I262 WeakPolarHBondContact O-CB 3.01Å; K258-I262 WeakPolarHBondContact O-CD1 3.5Å; K258-I262 WeakPolarHBondContact O-CG1 3.48Å; K258-I262 PolarHBondContact O-N 3.39Å; K259-I262 PolarHBondContact O-N 2.8Å; I260-I262 PolarHBondContact O-N 3.32Å; I262-F265 PolarHBondContact O-N 2.94Å; I262-N266 WeakPolarHBondContact O-CB 3.48Å; I262-N266 PolarHBondContact O-N 3.01Å; I262-N266 PolarHBondContact O-ND2 3.4Å
263	R	87.4	Confident	85.4	Confident	48 Å²	48	42.3 Å²	42.3	18%	0.181	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-51.9	175.8	173.6	59.4	173.4	121.4	-11	111.8	E189 E192 K259 I260 F261 F265 N266 T267 M711	E189-R263 IonicContact OE1-NE 3.27Å; E189-R263 IonicContact OE1-NH2 3.55Å; E189-R263 PolarHBondContact OE1-NH2 3.2Å; E192-R263 VanDerWaalsContact CD-NH1 3.27Å; E192-R263 IonicContact OE1-CZ 2.73Å; E192-R263 IonicContact OE1-NH1 3.86Å; E192-R263 PolarHBondContact OE1-NH1 3.14Å; E192-R263 IonicContact OE2-CZ 2.71Å; E192-R263 VanDerWaalsContact OE2-CZ 3.22Å; E192-R263 IonicContact OE2-NH1 4Å; E192-R263 PolarHBondContact OE2-NH1 3.06Å; E192-R263 IonicContact OE2-NH2 3.73Å; E192-R263 PolarHBondContact OE2-NH2 3.15Å; K259-R263 WeakPolarHBondContact O-CB 3.4Å; K259-R263 PolarHBondContact O-N 2.75Å; I260-R263 WeakPolarHBondContact O-CB 3.3Å; I260-R263 PolarHBondContact O-N 3.03Å; F261-R263 VanDerWaalsContact C-N 3.33Å; F261-R263 PolarHBondContact O-N 2.86Å; R263-F265 PolarHBondContact O-N 3.03Å; R263-N266 PolarHBondContact O-N 3.26Å; R263-T267 PolarHBondContact NH1-OG1 3.19Å; R263-T267 PolarHBondContact O-N 2.96Å; R263-T267 PolarHBondContact O-OG1 2.95Å; R263-M711 HydrophobicContact CB-CE 3.73Å; R263-M711 HydrophobicContact CG-CE 4.03Å; R263-M711 HydrophobicContact CG-SD 4.33Å
264	L	92.4	Very high	86.1	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-62.5	-42.2	178.2	-66	172.8	0	0	0	111.5	I188 A241 F242 I260 F261 N266 T267 V268	I188-L264 HydrophobicContact CD1-CD2 3.9Å; A241-L264 HydrophobicContact CB-CD1 3.73Å; A241-L264 HydrophobicContact CB-CD2 3.66Å; A241-L264 HydrophobicContact CB-CG 4.37Å; F242-L264 HydrophobicContact CD1-CB 4.31Å; F242-L264 HydrophobicContact CD1-CD1 4.11Å; F242-L264 HydrophobicContact CD2-CB 4.21Å; F242-L264 HydrophobicContact CD2-CD1 4.44Å; F242-L264 HydrophobicContact CE1-CB 3.8Å; F242-L264 HydrophobicContact CE1-CD1 4.4Å; F242-L264 HydrophobicContact CE2-CB 3.69Å; F242-L264 HydrophobicContact CG-CB 4.5Å; F242-L264 HydrophobicContact CG-CD1 4.14Å; F242-L264 HydrophobicContact CZ-CB 3.48Å; F242-L264 VanDerWaalsContact CZ-CB 3.48Å; I260-L264 HydrophobicContact CG2-CD1 4Å; I260-L264 HydrophobicContact CG2-CG 4.42Å; I260-L264 WeakPolarHBondContact O-CG 3.36Å; I260-L264 PolarHBondContact O-N 3.4Å; F261-L264 PolarHBondContact O-N 3.01Å; L264-N266 PolarHBondContact O-N 2.58Å; L264-T267 WeakPolarHBondContact O-CB 3.41Å; L264-T267 PolarHBondContact O-N 3.26Å; L264-V268 PolarHBondContact O-N 3.06Å
265	F	92.1	Very high	86.6	Confident	7 Å²	7	36 Å²	36	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-42.9	176.4	175.5	-99	0	0	0	112.2	F242 F261 I262 R263 T267 V268 Q269 L308 K311 F314 W315	F242-F265 HydrophobicContact CZ-CB 4.23Å; F261-F265 VanDerWaalsContact O-CB 3.28Å; F261-F265 WeakPolarHBondContact O-CB 3.31Å; F261-F265 PolarHBondContact O-N 3.3Å; I262-F265 PolarHBondContact O-N 2.94Å; R263-F265 PolarHBondContact O-N 3.03Å; F265-T267 VanDerWaalsContact C-N 3.34Å; F265-T267 PolarHBondContact O-N 3.16Å; F265-V268 PolarHBondContact O-N 3.36Å; F265-Q269 HydrophobicContact CD1-CG 3.95Å; F265-Q269 HydrophobicContact CE1-CG 3.5Å; F265-Q269 HydrophobicContact CE2-CG 4.2Å; F265-Q269 HydrophobicContact CG-CG 4.48Å; F265-Q269 HydrophobicContact CZ-CG 3.64Å; F265-Q269 WeakPolarHBondContact O-CG 3.38Å; F265-Q269 PolarHBondContact O-N 3.25Å; F265-L308 HydrophobicContact CD1-CD2 4.22Å; F265-L308 HydrophobicContact CD2-CD1 3.54Å; F265-L308 HydrophobicContact CD2-CD2 3.78Å; F265-L308 HydrophobicContact CD2-CG 4.32Å; F265-L308 HydrophobicContact CE1-CD2 4.2Å; F265-L308 HydrophobicContact CE2-CD1 3.44Å; F265-L308 VanDerWaalsContact CE2-CD1 3.44Å; F265-L308 HydrophobicContact CE2-CD2 3.77Å; F265-L308 HydrophobicContact CE2-CG 4.28Å; F265-L308 HydrophobicContact CG-CD2 4.01Å; F265-L308 HydrophobicContact CZ-CD1 4.34Å; F265-L308 HydrophobicContact CZ-CD2 3.99Å; F265-K311 HydrophobicContact CE1-CD 3.48Å; F265-K311 VanDerWaalsContact CE1-CD 3.48Å; F265-K311 HydrophobicContact CZ-CB 4Å; F265-K311 HydrophobicContact CZ-CD 3.57Å; F265-K311 HydrophobicContact CZ-CG 4.45Å; F265-F314 AromaticContact CE2-CD1 3.84Å; F265-F314 HydrophobicContact CE2-CD1 3.84Å; F265-F314 AromaticContact CE2-CE1 4Å; F265-F314 HydrophobicContact CE2-CE1 4Å; F265-F314 AromaticContact CZ-CD1 3.93Å; F265-F314 HydrophobicContact CZ-CD1 3.93Å; F265-F314 HydrophobicContact CZ-CE1 4.25Å; F265-W315 AromaticContact CD2-CE3 3.82Å; F265-W315 HydrophobicContact CD2-CE3 3.82Å; F265-W315 AromaticContact CD2-CZ3 3.82Å; F265-W315 HydrophobicContact CD2-CZ3 3.82Å; F265-W315 AromaticContact CE2-CE3 3.9Å; F265-W315 HydrophobicContact CE2-CE3 3.9Å; F265-W315 HydrophobicContact CE2-CZ3 4.35Å
266	N	89.5	Confident	87	Confident	61 Å²	61	35.2 Å²	35.2	33%	0.326	16%	0.157	S	C	.	.	H	α-helix	trans	-64.8	-36.5	175.9	-72.9	-16.6	0	0	0	112.1	I262 R263 L264 Q269 W270	I262-N266 WeakPolarHBondContact O-CB 3.48Å; I262-N266 PolarHBondContact O-N 3.01Å; I262-N266 PolarHBondContact O-ND2 3.4Å; R263-N266 PolarHBondContact O-N 3.26Å; L264-N266 PolarHBondContact O-N 2.58Å; N266-Q269 PolarHBondContact O-N 2.91Å; N266-W270 WeakPolarHBondContact O-CB 3.43Å; N266-W270 PolarHBondContact O-N 3.43Å
267	T	91.7	Very high	87.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-45.9	170.4	-64.5	0	0	0	0	111.4	I188 E192 V238 R263 L264 F265 W270 L271	I188-T267 HydrophobicContact CG2-CG2 3.9Å; E192-T267 WeakPolarHBondContact OE1-CB 3.14Å; E192-T267 VanDerWaalsContact OE1-CG2 3.29Å; E192-T267 WeakPolarHBondContact OE1-CG2 3.49Å; E192-T267 PolarHBondContact OE1-OG1 3.05Å; V238-T267 HydrophobicContact CG2-CG2 3.69Å; R263-T267 PolarHBondContact NH1-OG1 3.19Å; R263-T267 PolarHBondContact O-N 2.96Å; R263-T267 PolarHBondContact O-OG1 2.95Å; L264-T267 WeakPolarHBondContact O-CB 3.41Å; L264-T267 PolarHBondContact O-N 3.26Å; F265-T267 VanDerWaalsContact C-N 3.34Å; F265-T267 PolarHBondContact O-N 3.16Å; T267-W270 PolarHBondContact O-N 3.24Å; T267-L271 HydrophobicContact CG2-CD1 3.71Å; T267-L271 HydrophobicContact CG2-CG 4.17Å; T267-L271 WeakPolarHBondContact O-CB 3.28Å; T267-L271 WeakPolarHBondContact O-CG 3.43Å; T267-L271 PolarHBondContact O-N 2.84Å
268	V	92.4	Very high	87.3	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-46.3	175	-178.9	0	0	0	0	111.5	V238 F242 L264 F265 W270 L271 D272 V288 F314 W315 L318 W322	V238-V268 HydrophobicContact CG1-CG2 3.54Å; F242-V268 HydrophobicContact CE2-CG2 4.01Å; L264-V268 PolarHBondContact O-N 3.06Å; F265-V268 PolarHBondContact O-N 3.36Å; V268-W270 PolarHBondContact O-N 3.43Å; V268-L271 PolarHBondContact O-N 2.89Å; V268-D272 WeakPolarHBondContact O-CB 3.45Å; V268-D272 PolarHBondContact O-N 3.08Å; V268-V288 HydrophobicContact CG1-CG1 4.45Å; V268-F314 HydrophobicContact CG1-CE1 4.46Å; V268-F314 HydrophobicContact CG1-CZ 4.49Å; V268-W315 HydrophobicContact CG2-CZ3 4.49Å; V268-L318 HydrophobicContact CG1-CD1 3.69Å; V268-L318 HydrophobicContact CG1-CD2 4.34Å; V268-W322 HydrophobicContact CG1-CH2 4.23Å; V268-W322 HydrophobicContact CG1-CZ2 4.5Å; V268-W322 HydrophobicContact CG1-CZ3 4.42Å; V268-W322 HydrophobicContact CG2-CH2 3.6Å; V268-W322 HydrophobicContact CG2-CZ3 3.74Å
269	Q	89.3	Confident	86.9	Confident	50 Å²	50	44.3 Å²	44.3	23%	0.234	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-37.1	176.9	-59.1	-126.6	-92	0	0	112.1	F265 N266 K273 F314	F265-Q269 HydrophobicContact CD1-CG 3.95Å; F265-Q269 HydrophobicContact CE1-CG 3.5Å; F265-Q269 HydrophobicContact CE2-CG 4.2Å; F265-Q269 HydrophobicContact CG-CG 4.48Å; F265-Q269 HydrophobicContact CZ-CG 3.64Å; F265-Q269 WeakPolarHBondContact O-CG 3.38Å; F265-Q269 PolarHBondContact O-N 3.25Å; N266-Q269 PolarHBondContact O-N 2.91Å; Q269-K273 VanDerWaalsContact O-CB 3.3Å; Q269-K273 WeakPolarHBondContact O-CB 3.43Å; Q269-K273 PolarHBondContact O-N 2.82Å; Q269-F314 HydrophobicContact CB-CZ 4.36Å; Q269-F314 HydrophobicContact CG-CD1 4.44Å; Q269-F314 HydrophobicContact CG-CE1 3.83Å; Q269-F314 HydrophobicContact CG-CZ 4.1Å; Q269-F314 VanDerWaalsContact NE2-CD1 3.28Å
270	W	89.6	Confident	86.7	Confident	81 Å²	81	40.9 Å²	40.9	31%	0.307	19%	0.189	S	C	.	.	H	α-helix	trans	-76.5	-47.3	-179.8	-176.1	79.3	0	0	0	112.5	E192 L195 N266 T267 V268 K273 V274	E192-W270 HydrophobicContact CB-CH2 4.44Å; E192-W270 HydrophobicContact CB-CZ3 4.24Å; E192-W270 HydrophobicContact CG-CE3 4.17Å; E192-W270 HydrophobicContact CG-CH2 4.44Å; E192-W270 HydrophobicContact CG-CZ3 3.77Å; L195-W270 HydrophobicContact CB-CH2 4.06Å; L195-W270 HydrophobicContact CD2-CH2 3.62Å; L195-W270 HydrophobicContact CD2-CZ3 3.8Å; L195-W270 HydrophobicContact CG-CH2 3.79Å; L195-W270 HydrophobicContact CG-CZ3 4.45Å; N266-W270 WeakPolarHBondContact O-CB 3.43Å; N266-W270 PolarHBondContact O-N 3.43Å; T267-W270 PolarHBondContact O-N 3.24Å; V268-W270 PolarHBondContact O-N 3.43Å; W270-K273 WeakPolarHBondContact O-CB 3.09Å; W270-K273 PolarHBondContact O-N 3.19Å; W270-V274 HydrophobicContact CD2-CG2 4.17Å; W270-V274 HydrophobicContact CZ2-CG2 4.19Å; W270-V274 WeakPolarHBondContact O-CG2 3.3Å; W270-V274 PolarHBondContact O-N 3.34Å
271	L	89.3	Confident	86.1	Confident	7 Å²	7	45.6 Å²	45.6	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-45.3	178.9	-68.2	174.6	0	0	0	112.1	F191 I234 I235 T267 V268 K273 V274 C275 V288	F191-L271 HydrophobicContact CD1-CD2 4.38Å; F191-L271 HydrophobicContact CE1-CD2 3.68Å; I234-L271 HydrophobicContact CG2-CD1 4.46Å; I235-L271 HydrophobicContact CG1-CD1 3.91Å; T267-L271 HydrophobicContact CG2-CD1 3.71Å; T267-L271 HydrophobicContact CG2-CG 4.17Å; T267-L271 WeakPolarHBondContact O-CB 3.28Å; T267-L271 WeakPolarHBondContact O-CG 3.43Å; T267-L271 PolarHBondContact O-N 2.84Å; V268-L271 PolarHBondContact O-N 2.89Å; L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 3.07Å; L271-V274 PolarHBondContact O-N 3.23Å; L271-V274 VanDerWaalsContact O-N 3.17Å; L271-C275 PolarHBondContact O-N 3.46Å; L271-C275 PolarHBondContact O-SG 2.7Å; L271-V288 HydrophobicContact CB-CG2 4.15Å
272	D	89.2	Confident	85.6	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-31.4	176	168.9	77.6	0	0	0	111.2	V268 R276 V288 R289 F314 L318	V268-D272 WeakPolarHBondContact O-CB 3.45Å; V268-D272 PolarHBondContact O-N 3.08Å; D272-R276 VanDerWaalsContact CG-NE 3.3Å; D272-R276 VanDerWaalsContact O-CB 3.22Å; D272-R276 WeakPolarHBondContact O-CB 3.45Å; D272-R276 VanDerWaalsContact O-CG 3.28Å; D272-R276 WeakPolarHBondContact O-CG 3.43Å; D272-R276 PolarHBondContact O-N 2.8Å; D272-R276 IonicContact OD1-NE 3.28Å; D272-R276 PolarHBondContact OD1-NE 2.73Å; D272-R276 IonicContact OD2-CZ 3.12Å; D272-R276 IonicContact OD2-NE 2.76Å; D272-R276 PolarHBondContact OD2-NE 2.83Å; D272-R276 IonicContact OD2-NH2 2.66Å; D272-R276 PolarHBondContact OD2-NH2 3.5Å; D272-V288 HydrophobicContact CB-CB 4.29Å; D272-V288 HydrophobicContact CB-CG1 4.18Å; D272-V288 HydrophobicContact CB-CG2 4.29Å; D272-R289 IonicContact OD1-NE 3.87Å; D272-R289 IonicContact OD1-NH2 2.7Å; D272-F314 WeakPolarHBondContact OD2-CE2 3.28Å; D272-L318 HydrophobicContact CB-CD2 4.33Å
273	K	86.9	Confident	85.4	Confident	114 Å²	114	46.3 Å²	46.3	50%	0.496	22%	0.224	S	C	.	.	H	α-helix	trans	-68	-43.1	170.1	-178.4	173.3	-179	-179.6	0	112.7	Q269 W270 L271 H277	Q269-K273 VanDerWaalsContact O-CB 3.3Å; Q269-K273 WeakPolarHBondContact O-CB 3.43Å; Q269-K273 PolarHBondContact O-N 2.82Å; W270-K273 WeakPolarHBondContact O-CB 3.09Å; W270-K273 PolarHBondContact O-N 3.19Å; L271-K273 VanDerWaalsContact C-N 3.26Å; L271-K273 PolarHBondContact O-N 3.07Å; K273-H277 VanDerWaalsContact CE-NE2 3.34Å; K273-H277 WeakPolarHBondContact CE-NE2 3.22Å; K273-H277 VanDerWaalsContact CG-CD2 3.44Å; K273-H277 WeakPolarHBondContact CG-CD2 3.33Å; K273-H277 PolarHBondContact O-CD2 3.33Å; K273-H277 PolarHBondContact O-N 3.33Å
274	V	86	Confident	85.3	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.03	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-45	178	170	0	0	0	0	111.1	L195 W270 L271 N278 I279 Y283	L195-V274 HydrophobicContact CD2-CG1 4.32Å; W270-V274 HydrophobicContact CD2-CG2 4.17Å; W270-V274 HydrophobicContact CZ2-CG2 4.19Å; W270-V274 WeakPolarHBondContact O-CG2 3.3Å; W270-V274 PolarHBondContact O-N 3.34Å; L271-V274 PolarHBondContact O-N 3.23Å; L271-V274 VanDerWaalsContact O-N 3.17Å; V274-N278 PolarHBondContact O-N 3.27Å; V274-I279 HydrophobicContact CG1-CB 4.27Å; V274-I279 HydrophobicContact CG2-CD1 4.38Å; V274-I279 PolarHBondContact O-N 3.13Å; V274-Y283 HydrophobicContact CG1-CD2 4.5Å
275	C	86.6	Confident	84.7	Confident	2 Å²	2	52 Å²	52	1%	0.014	26%	0.255	C	S	.	.	H	α-helix	trans	-68.5	-46.7	178.3	-56.8	0	0	0	0	111.3	L271 H277 N278 V288	L271-C275 PolarHBondContact O-N 3.46Å; L271-C275 PolarHBondContact O-SG 2.7Å; C275-H277 VanDerWaalsContact C-N 3.26Å; C275-H277 PolarHBondContact O-N 2.89Å; C275-N278 PolarHBondContact O-N 3.24Å; C275-V288 HydrophobicContact CB-CG2 4.48Å
276	R	84.4	Confident	84.3	Confident	97 Å²	97	55.8 Å²	55.8	37%	0.366	27%	0.272	S	S	.	.	H	α-helix	trans	-63.4	-27.3	-178.5	-77.2	-168.2	-72	121.7	-3.6	114.6	D272 Q285	D272-R276 VanDerWaalsContact CG-NE 3.3Å; D272-R276 VanDerWaalsContact O-CB 3.22Å; D272-R276 WeakPolarHBondContact O-CB 3.45Å; D272-R276 VanDerWaalsContact O-CG 3.28Å; D272-R276 WeakPolarHBondContact O-CG 3.43Å; D272-R276 PolarHBondContact O-N 2.8Å; D272-R276 IonicContact OD1-NE 3.28Å; D272-R276 PolarHBondContact OD1-NE 2.73Å; D272-R276 IonicContact OD2-CZ 3.12Å; D272-R276 IonicContact OD2-NE 2.76Å; D272-R276 PolarHBondContact OD2-NE 2.83Å; D272-R276 IonicContact OD2-NH2 2.66Å; D272-R276 PolarHBondContact OD2-NH2 3.5Å; R276-Q285 PolarHBondContact O-NE2 3.01Å
277	H	80.5	Confident	84.2	Confident	120 Å²	120	53 Å²	53	56%	0.556	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	1	174.3	-69.5	-55.6	0	0	0	114.4	K273 C275 I279	K273-H277 VanDerWaalsContact CE-NE2 3.34Å; K273-H277 WeakPolarHBondContact CE-NE2 3.22Å; K273-H277 VanDerWaalsContact CG-CD2 3.44Å; K273-H277 WeakPolarHBondContact CG-CD2 3.33Å; K273-H277 PolarHBondContact O-CD2 3.33Å; K273-H277 PolarHBondContact O-N 3.33Å; C275-H277 VanDerWaalsContact C-N 3.26Å; C275-H277 PolarHBondContact O-N 2.89Å; H277-I279 VanDerWaalsContact C-N 3.32Å; H277-I279 HydrophobicContact CB-CD1 4.11Å; H277-I279 HydrophobicContact CB-CG1 3.73Å; H277-I279 PolarHBondContact O-N 3.17Å
278	N	78.6	Confident	84	Confident	99 Å²	99	53 Å²	53	53%	0.529	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	48	-177.3	-166.4	12.1	0	0	0	113.2	V274 C275 V280	V274-N278 PolarHBondContact O-N 3.27Å; C275-N278 PolarHBondContact O-N 3.24Å; N278-V280 VanDerWaalsContact C-N 3.29Å; N278-V280 PolarHBondContact OD1-O 3Å
279	I	76.4	Confident	83.8	Confident	54 Å²	54	56.9 Å²	56.9	28%	0.277	27%	0.272	S	S	.	.			trans	-75.1	-22.4	-177.6	-49.2	-178.7	0	0	0	111.3	I199 M202 V274 H277	I199-I279 HydrophobicContact CD1-CG2 4.04Å; I199-I279 HydrophobicContact CG1-CG2 3.85Å; I199-I279 HydrophobicContact CG2-CG2 4.12Å; M202-I279 HydrophobicContact CE-CG2 4.43Å; M202-I279 WeakPolarHBondContact CE-O 3.28Å; V274-I279 HydrophobicContact CG1-CB 4.27Å; V274-I279 HydrophobicContact CG2-CD1 4.38Å; V274-I279 PolarHBondContact O-N 3.13Å; H277-I279 VanDerWaalsContact C-N 3.32Å; H277-I279 HydrophobicContact CB-CD1 4.11Å; H277-I279 HydrophobicContact CB-CG1 3.73Å; H277-I279 PolarHBondContact O-N 3.17Å
280	V	76.8	Confident	83.6	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.012	29%	0.285	C	S	.	.	S	Bend	trans	-122.8	115.4	174	-178.9	0	0	0	0	107.4	L195 Y225 N278 D282 Y283	L195-V280 HydrophobicContact CD1-CG2 3.65Å; Y225-V280 HydrophobicContact CD1-CG1 4.05Å; Y225-V280 HydrophobicContact CD1-CG2 3.76Å; Y225-V280 HydrophobicContact CD2-CG1 4.49Å; Y225-V280 HydrophobicContact CE1-CG2 4.21Å; Y225-V280 HydrophobicContact CG-CG1 3.92Å; Y225-V280 HydrophobicContact CG-CG2 4.46Å; N278-V280 VanDerWaalsContact C-N 3.29Å; N278-V280 PolarHBondContact OD1-O 3Å; V280-D282 PolarHBondContact O-N 3.16Å; V280-D282 VanDerWaalsContact O-N 3.09Å; V280-Y283 HydrophobicContact CB-CD1 4.17Å; V280-Y283 HydrophobicContact CB-CD2 3.78Å; V280-Y283 HydrophobicContact CB-CE1 4.36Å; V280-Y283 HydrophobicContact CB-CE2 4.01Å; V280-Y283 HydrophobicContact CB-CG 3.85Å; V280-Y283 HydrophobicContact CG1-CD1 3.79Å; V280-Y283 HydrophobicContact CG1-CD2 4.24Å; V280-Y283 HydrophobicContact CG1-CE1 3.76Å; V280-Y283 HydrophobicContact CG1-CE2 4.23Å; V280-Y283 HydrophobicContact CG1-CG 4.01Å; V280-Y283 HydrophobicContact CG2-CD2 4.13Å; V280-Y283 HydrophobicContact CG2-CE2 3.96Å; V280-Y283 PolarHBondContact O-N 2.89Å
281	P	72.5	Confident	83.5	Confident	102 Å²	102	56.7 Å²	56.7	66%	0.662	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.5	-171.9	-29.5	36.4	0	0	0	116	Y283	P281-Y283 VanDerWaalsContact C-N 3.32Å
282	D	78.2	Confident	83.2	Confident	111 Å²	111	58.1 Å²	58.1	59%	0.594	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.2	179.9	-67.4	-4.3	0	0	0	113.7	K228 V280	K228-D282 WeakPolarHBondContact CD-O 3.47Å; V280-D282 PolarHBondContact O-N 3.16Å; V280-D282 VanDerWaalsContact O-N 3.09Å
283	Y	84.3	Confident	82.8	Confident	7 Å²	7	60.1 Å²	60.1	3%	0.027	29%	0.293	C	S	.	.	S	Bend	trans	-101.1	112.7	-174.6	-69.4	7.5	0	0	0	110.8	F191 L195 P226 A231 V274 V280 P281 Q285 M287	F191-Y283 HydrophobicContact CZ-CE2 4.38Å; L195-Y283 HydrophobicContact CD1-CE2 4.34Å; L195-Y283 HydrophobicContact CD2-CE2 4.2Å; P226-Y283 WeakPolarHBondContact O-CE1 3.43Å; P226-Y283 PolarHBondContact O-OH 3.41Å; A231-Y283 HydrophobicContact CB-CD1 4.46Å; A231-Y283 HydrophobicContact CB-CE1 3.95Å; A231-Y283 HydrophobicContact CB-CE2 4Å; V274-Y283 HydrophobicContact CG1-CD2 4.5Å; V280-Y283 HydrophobicContact CB-CD1 4.17Å; V280-Y283 HydrophobicContact CB-CD2 3.78Å; V280-Y283 HydrophobicContact CB-CE1 4.36Å; V280-Y283 HydrophobicContact CB-CE2 4.01Å; V280-Y283 HydrophobicContact CB-CG 3.85Å; V280-Y283 HydrophobicContact CG1-CD1 3.79Å; V280-Y283 HydrophobicContact CG1-CD2 4.24Å; V280-Y283 HydrophobicContact CG1-CE1 3.76Å; V280-Y283 HydrophobicContact CG1-CE2 4.23Å; V280-Y283 HydrophobicContact CG1-CG 4.01Å; V280-Y283 HydrophobicContact CG2-CD2 4.13Å; V280-Y283 HydrophobicContact CG2-CE2 3.96Å; V280-Y283 PolarHBondContact O-N 2.89Å; P281-Y283 VanDerWaalsContact C-N 3.32Å; Y283-Q285 PolarHBondContact O-N 3Å; Y283-M287 HydrophobicContact CD1-CE 4.11Å; Y283-M287 HydrophobicContact CD2-CE 3.84Å; Y283-M287 HydrophobicContact CG-CE 3.63Å
284	D	83.7	Confident	82.7	Confident	59 Å²	59	55.5 Å²	55.5	32%	0.316	28%	0.275	S	S	.	.			trans	-59.5	140.7	-179.1	-43.4	-37.8	0	0	0	111.2	K228 H286 M287	K228-D284 WeakPolarHBondContact CE-OD2 3.27Å; K228-D284 IonicContact NZ-OD1 2.58Å; K228-D284 PolarHBondContact NZ-OD1 2.71Å; K228-D284 IonicContact NZ-OD2 2.7Å; K228-D284 PolarHBondContact NZ-OD2 2.74Å; D284-H286 PolarHBondContact O-N 3.34Å; D284-M287 HydrophobicContact CB-CB 4.13Å; D284-M287 VanDerWaalsContact O-CB 3.31Å; D284-M287 WeakPolarHBondContact O-CB 3.47Å; D284-M287 PolarHBondContact O-N 2.83Å
285	Q	81.6	Confident	82.8	Confident	109 Å²	109	55.9 Å²	55.9	51%	0.509	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.3	-177.3	-155.2	-175.8	24.8	0	0	113.5	R276 Y283	R276-Q285 PolarHBondContact O-NE2 3.01Å; Y283-Q285 PolarHBondContact O-N 3Å
286	H	83.5	Confident	82.9	Confident	87 Å²	87	55.9 Å²	55.9	40%	0.403	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	7.8	-179.8	-60.3	-15.4	0	0	0	113.4	D284 V288 R289 E290	D284-H286 PolarHBondContact O-N 3.34Å; H286-V288 PolarHBondContact O-N 2.76Å; H286-V288 VanDerWaalsContact O-N 3.07Å; H286-R289 WeakPolarHBondContact O-CA 3.47Å; H286-R289 WeakPolarHBondContact O-CB 3.49Å; H286-R289 PolarHBondContact O-N 3.32Å; H286-E290 HydrophobicContact CB-CG 4.33Å; H286-E290 WeakPolarHBondContact CB-OE1 3.04Å; H286-E290 PolarHBondContact O-N 2.72Å; H286-E290 VanDerWaalsContact O-N 3.12Å
287	M	86.9	Confident	83.1	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-50.6	-39.7	-177.3	-179.1	172.6	63.4	0	0	113.4	K228 A231 Q232 I235 Y283 D284 R289 I291	K228-M287 HydrophobicContact CG-SD 3.98Å; A231-M287 HydrophobicContact CB-CE 3.58Å; A231-M287 HydrophobicContact CB-SD 4.21Å; Q232-M287 HydrophobicContact CG-CG 4.12Å; Q232-M287 HydrophobicContact CG-SD 3.89Å; I235-M287 HydrophobicContact CD1-CE 4.32Å; I235-M287 HydrophobicContact CD1-CG 4.35Å; Y283-M287 HydrophobicContact CD1-CE 4.11Å; Y283-M287 HydrophobicContact CD2-CE 3.84Å; Y283-M287 HydrophobicContact CG-CE 3.63Å; D284-M287 HydrophobicContact CB-CB 4.13Å; D284-M287 VanDerWaalsContact O-CB 3.31Å; D284-M287 WeakPolarHBondContact O-CB 3.47Å; D284-M287 PolarHBondContact O-N 2.83Å; M287-R289 VanDerWaalsContact C-N 3.27Å; M287-R289 PolarHBondContact O-N 2.88Å; M287-I291 HydrophobicContact CG-CD1 4.11Å; M287-I291 WeakPolarHBondContact O-CD1 3.34Å; M287-I291 VanDerWaalsContact O-CG1 3.27Å; M287-I291 WeakPolarHBondContact O-CG1 3.48Å
288	V	86.9	Confident	83.4	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-30.9	177.2	-177.3	0	0	0	0	112.4	I235 V268 L271 D272 C275 H286 W322	I235-V288 HydrophobicContact CD1-CB 4.47Å; I235-V288 HydrophobicContact CD1-CG2 3.8Å; I235-V288 HydrophobicContact CG1-CG2 4.46Å; V268-V288 HydrophobicContact CG1-CG1 4.45Å; L271-V288 HydrophobicContact CB-CG2 4.15Å; D272-V288 HydrophobicContact CB-CB 4.29Å; D272-V288 HydrophobicContact CB-CG1 4.18Å; D272-V288 HydrophobicContact CB-CG2 4.29Å; C275-V288 HydrophobicContact CB-CG2 4.48Å; H286-V288 PolarHBondContact O-N 2.76Å; H286-V288 VanDerWaalsContact O-N 3.07Å; V288-W322 HydrophobicContact CG1-CZ2 4Å; V288-W322 PolarHBondContact O-NE1 3.1Å
289	R	87.6	Confident	83.8	Confident	83 Å²	83	51.5 Å²	51.5	31%	0.313	27%	0.267	S	S	.	.	H	α-helix	trans	-85.7	-27.2	-175.4	-54.9	-179.8	178	-149	-13.1	112.9	D272 H286 M287 G317 L318 A321	D272-R289 IonicContact OD1-NE 3.87Å; D272-R289 IonicContact OD1-NH2 2.7Å; H286-R289 WeakPolarHBondContact O-CA 3.47Å; H286-R289 WeakPolarHBondContact O-CB 3.49Å; H286-R289 PolarHBondContact O-N 3.32Å; M287-R289 VanDerWaalsContact C-N 3.27Å; M287-R289 PolarHBondContact O-N 2.88Å; R289-G317 PolarHBondContact NH1-O 3.12Å; R289-G317 PolarHBondContact NH2-O 2.96Å; R289-L318 VanDerWaalsContact CB-O 3.31Å; R289-L318 WeakPolarHBondContact CB-O 3.33Å; R289-L318 WeakPolarHBondContact CG-O 3.24Å; R289-A321 WeakPolarHBondContact O-CB 3.49Å
290	E	85.9	Confident	84.5	Confident	110 Å²	110	49.1 Å²	49.1	51%	0.514	26%	0.255	S	S	.	.	H	α-helix	trans	-84.6	-18.9	-175.5	-70.2	166.8	-176.6	0	0	113.5	H286 V292	H286-E290 HydrophobicContact CB-CG 4.33Å; H286-E290 WeakPolarHBondContact CB-OE1 3.04Å; H286-E290 PolarHBondContact O-N 2.72Å; H286-E290 VanDerWaalsContact O-N 3.12Å; E290-V292 WeakPolarHBondContact O-CG2 3.33Å; E290-V292 PolarHBondContact O-N 3.12Å
291	I	86.7	Confident	85.1	Confident	17 Å²	17	50.2 Å²	50.2	9%	0.087	26%	0.261	C	S	.	.			trans	-76	96.2	-176.8	-67.2	162.2	0	0	0	110.6	Q232 I235 R236 K239 M287 E293	Q232-I291 HydrophobicContact CB-CD1 4.11Å; Q232-I291 HydrophobicContact CG-CD1 3.91Å; Q232-I291 HydrophobicContact CG-CG1 4.47Å; I235-I291 HydrophobicContact CB-CD1 3.66Å; I235-I291 HydrophobicContact CD1-CD1 3.57Å; I235-I291 HydrophobicContact CG1-CD1 4.22Å; I235-I291 HydrophobicContact CG2-CB 4.16Å; I235-I291 HydrophobicContact CG2-CD1 3.7Å; I235-I291 HydrophobicContact CG2-CG2 4.16Å; R236-I291 HydrophobicContact CG-CG2 3.7Å; K239-I291 PolarHBondContact NZ-O 3.05Å; M287-I291 HydrophobicContact CG-CD1 4.11Å; M287-I291 WeakPolarHBondContact O-CD1 3.34Å; M287-I291 VanDerWaalsContact O-CG1 3.27Å; M287-I291 WeakPolarHBondContact O-CG1 3.48Å; I291-E293 WeakPolarHBondContact CG2-O 3.23Å
292	V	83.1	Confident	85.9	Confident	37 Å²	37	48.2 Å²	48.2	22%	0.224	25%	0.253	C	S	.	.			trans	-71.6	-49.2	-177.9	-169.1	0	0	0	0	112.3	K239 E290 P294 L295 W329 L333	K239-V292 PolarHBondContact NZ-O 2.99Å; E290-V292 WeakPolarHBondContact O-CG2 3.33Å; E290-V292 PolarHBondContact O-N 3.12Å; V292-P294 CarbonylContact O-C 3.48Å; V292-P294 VanDerWaalsContact O-O 3.13Å; V292-L295 HydrophobicContact CG1-CD2 3.76Å; V292-L295 HydrophobicContact CG1-CG 4.17Å; V292-L295 WeakPolarHBondContact O-CD2 3.38Å; V292-L295 PolarHBondContact O-N 3.34Å; V292-W329 HydrophobicContact CB-CZ2 4.38Å; V292-W329 HydrophobicContact CG1-CD2 4.15Å; V292-W329 HydrophobicContact CG1-CE3 4.48Å; V292-W329 HydrophobicContact CG1-CH2 3.84Å; V292-W329 HydrophobicContact CG1-CZ2 3.42Å; V292-W329 VanDerWaalsContact CG1-CZ2 3.42Å; V292-W329 HydrophobicContact CG1-CZ3 4.34Å; V292-W329 HydrophobicContact CG2-CH2 4.33Å; V292-W329 HydrophobicContact CG2-CZ2 3.97Å; V292-L333 HydrophobicContact CB-CD1 4.45Å; V292-L333 HydrophobicContact CG1-CD1 3.5Å; V292-L333 VanDerWaalsContact CG1-CD1 3.5Å
293	E	81.7	Confident	86.4	Confident	42 Å²	42	43.5 Å²	43.5	20%	0.196	23%	0.228	C	C	.	.	S	Bend	trans	-84.9	146.3	-177	-64.5	-179.1	154.9	0	0	112.8	R236 I291 L333 A334	R236-E293 WeakPolarHBondContact CG-O 3.33Å; R236-E293 IonicContact CZ-OE2 3.5Å; R236-E293 VanDerWaalsContact CZ-OE2 3.27Å; R236-E293 IonicContact NH1-OE2 2.76Å; R236-E293 PolarHBondContact NH1-OE2 2.93Å; R236-E293 VanDerWaalsContact NH2-CB 3.29Å; R236-E293 IonicContact NH2-OE2 3.38Å; R236-E293 PolarHBondContact NH2-OE2 3.35Å; I291-E293 WeakPolarHBondContact CG2-O 3.23Å; E293-L333 HydrophobicContact CG-CB 4.24Å; E293-L333 HydrophobicContact CG-CD1 4.09Å; E293-L333 HydrophobicContact CG-CD2 4.45Å; E293-L333 HydrophobicContact CG-CG 4.5Å; E293-A334 PolarHBondContact OE1-N 3.46Å
294	P	85.5	Confident	86.6	Confident	17 Å²	17	43.3 Å²	43.3	11%	0.11	23%	0.227	C	C	.	.	S	Bend	cis	-66.2	150.9	-24.3	32.3	-34.5	0	0	0	110.2	R236 K239 V292 Y336	R236-P294 WeakPolarHBondContact O-CD 3.37Å; K239-P294 HydrophobicContact CB-CG 3.8Å; K239-P294 WeakPolarHBondContact CD-O 3.41Å; K239-P294 WeakPolarHBondContact CE-O 3.23Å; K239-P294 PolarHBondContact NZ-O 3.06Å; V292-P294 CarbonylContact O-C 3.48Å; V292-P294 VanDerWaalsContact O-O 3.13Å; P294-Y336 HydrophobicContact CB-CD1 4.04Å; P294-Y336 HydrophobicContact CG-CD1 3.69Å; P294-Y336 HydrophobicContact CG-CE1 4.24Å
295	L	87.7	Confident	86.9	Confident	14 Å²	14	43 Å²	43	7%	0.073	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-76.2	156.8	167.7	-71	171.9	0	0	0	110.5	N243 V292 P326 W329 L333	N243-L295 PolarHBondContact ND2-O 3.19Å; V292-L295 HydrophobicContact CG1-CD2 3.76Å; V292-L295 HydrophobicContact CG1-CG 4.17Å; V292-L295 WeakPolarHBondContact O-CD2 3.38Å; V292-L295 PolarHBondContact O-N 3.34Å; L295-P326 HydrophobicContact CB-CG 3.95Å; L295-W329 HydrophobicContact CD1-CB 3.53Å; L295-W329 HydrophobicContact CD1-CD2 3.86Å; L295-W329 HydrophobicContact CD1-CE3 4Å; L295-W329 HydrophobicContact CD1-CG 3.63Å; L295-W329 HydrophobicContact CD2-CD2 4.34Å; L295-W329 HydrophobicContact CD2-CE3 3.86Å; L295-W329 HydrophobicContact CD2-CZ3 4.14Å; L295-L333 HydrophobicContact CD1-CD1 3.68Å; L295-L333 HydrophobicContact CG-CD1 4.02Å
296	L	89.2	Confident	87.1	Confident	1 Å²	1	44 Å²	44	1%	0.005	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-90.1	126.5	-178.1	-63.9	174.6	0	0	0	110	K239 F242 N243 T300 L301 I304 W315 W322 P325 P326	K239-L296 HydrophobicContact CB-CD2 4.1Å; K239-L296 VanDerWaalsContact O-CD2 3.31Å; K239-L296 WeakPolarHBondContact O-CD2 3.13Å; F242-L296 HydrophobicContact CB-CD2 3.92Å; N243-L296 WeakPolarHBondContact OD1-CA 3.38Å; L296-T300 HydrophobicContact CD2-CG2 4.4Å; L296-L301 HydrophobicContact CB-CD2 3.78Å; L296-L301 HydrophobicContact CB-CG 4Å; L296-L301 HydrophobicContact CD1-CD2 4.03Å; L296-I304 HydrophobicContact CD1-CD1 3.9Å; L296-W315 HydrophobicContact CD1-CZ2 3.67Å; L296-W322 HydrophobicContact CD1-CE3 3.98Å; L296-P325 VanDerWaalsContact O-CA 3.28Å; L296-P325 WeakPolarHBondContact O-CA 3.08Å; L296-P325 WeakPolarHBondContact O-CB 3.38Å; L296-P326 WeakPolarHBondContact O-CD 3.33Å
297	E	88.1	Confident	87.1	Confident	65 Å²	65	42.2 Å²	42.2	30%	0.304	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-62.8	151.8	-177.1	-71.4	158.7	-157.6	0	0	111.3	N243 Q247 A299 T300 L301	N243-E297 PolarHBondContact ND2-OE1 3.36Å; N243-E297 PolarHBondContact OD1-N 2.92Å; Q247-E297 VanDerWaalsContact NE2-CD 3.29Å; Q247-E297 PolarHBondContact NE2-OE1 2.97Å; Q247-E297 PolarHBondContact NE2-OE2 3.31Å; E297-A299 PolarHBondContact O-N 2.98Å; E297-T300 WeakPolarHBondContact O-CA 3.41Å; E297-T300 VanDerWaalsContact O-CB 3.28Å; E297-T300 WeakPolarHBondContact O-CB 3.49Å; E297-T300 PolarHBondContact O-N 2.82Å; E297-L301 PolarHBondContact O-N 2.7Å
298	E	87.4	Confident	87	Confident	103 Å²	103	42.6 Å²	42.6	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-59.8	-33.3	-174.9	-179.7	151.9	-106.4	0	0	112.9	L301 A302 P325 K328	E298-L301 PolarHBondContact O-N 2.92Å; E298-A302 WeakPolarHBondContact O-CB 3.19Å; E298-A302 PolarHBondContact O-N 3.34Å; E298-P325 HydrophobicContact CB-CB 4.16Å; E298-P325 HydrophobicContact CB-CG 4.41Å; E298-K328 IonicContact OE1-NZ 3.74Å; E298-K328 PolarHBondContact OE1-NZ 2.77Å; E298-K328 IonicContact OE2-NZ 3.81Å
299	A	87	Confident	86.6	Confident	57 Å²	57	49.8 Å²	49.8	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-48	170.6	0	0	0	0	0	112	E246 E297 L301 A302 T303	E246-A299 HydrophobicContact CG-CB 4.12Å; E297-A299 PolarHBondContact O-N 2.98Å; A299-L301 VanDerWaalsContact C-N 3.34Å; A299-L301 PolarHBondContact O-N 2.87Å; A299-A302 PolarHBondContact O-N 3.32Å; A299-T303 PolarHBondContact O-N 3.21Å
300	T	90.3	Very high	86.1	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-46	176.4	-43.6	0	0	0	0	111	F242 N243 L296 E297 T303 I304	F242-T300 HydrophobicContact CB-CG2 3.86Å; N243-T300 WeakPolarHBondContact OD1-CB 3.14Å; N243-T300 PolarHBondContact OD1-OG1 2.93Å; L296-T300 HydrophobicContact CD2-CG2 4.4Å; E297-T300 WeakPolarHBondContact O-CA 3.41Å; E297-T300 VanDerWaalsContact O-CB 3.28Å; E297-T300 WeakPolarHBondContact O-CB 3.49Å; E297-T300 PolarHBondContact O-N 2.82Å; T300-T303 PolarHBondContact O-N 3.28Å; T300-I304 HydrophobicContact CG2-CD1 3.94Å; T300-I304 WeakPolarHBondContact O-CB 3.25Å; T300-I304 WeakPolarHBondContact O-CD1 3.46Å; T300-I304 WeakPolarHBondContact O-CG1 3.21Å; T300-I304 PolarHBondContact O-N 2.98Å
301	L	90	Very high	86	Confident	26 Å²	26	47.4 Å²	47.4	14%	0.136	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-39.3	177.3	-68.9	179.6	0	0	0	112.6	L296 E297 E298 A299 I304 A305 W322 P325	L296-L301 HydrophobicContact CB-CD2 3.78Å; L296-L301 HydrophobicContact CB-CG 4Å; L296-L301 HydrophobicContact CD1-CD2 4.03Å; E297-L301 PolarHBondContact O-N 2.7Å; E298-L301 PolarHBondContact O-N 2.92Å; A299-L301 VanDerWaalsContact C-N 3.34Å; A299-L301 PolarHBondContact O-N 2.87Å; L301-I304 HydrophobicContact CD2-CD1 4.15Å; L301-I304 PolarHBondContact O-N 3.33Å; L301-A305 WeakPolarHBondContact O-CB 3.46Å; L301-A305 PolarHBondContact O-N 2.87Å; L301-W322 WeakPolarHBondContact CD2-O 3.3Å; L301-P325 HydrophobicContact CD1-CB 3.8Å; L301-P325 HydrophobicContact CD1-CG 4.12Å
302	A	88.6	Confident	85.9	Confident	60 Å²	60	48.5 Å²	48.5	50%	0.496	26%	0.261	S	S	.	.	H	α-helix	trans	-63.7	-43.6	174.8	0	0	0	0	0	111.8	E298 A299 A305 K306	E298-A302 WeakPolarHBondContact O-CB 3.19Å; E298-A302 PolarHBondContact O-N 3.34Å; A299-A302 PolarHBondContact O-N 3.32Å; A302-A305 PolarHBondContact O-N 2.78Å; A302-K306 VanDerWaalsContact O-CB 3.31Å; A302-K306 WeakPolarHBondContact O-CB 3.49Å; A302-K306 PolarHBondContact O-N 3.02Å
303	T	88.2	Confident	86	Confident	11 Å²	11	54.9 Å²	54.9	7%	0.067	29%	0.288	C	S	.	.	H	α-helix	trans	-70.2	-34.8	175.7	-77.4	0	0	0	0	112.5	E246 A299 T300 K306 R307	E246-T303 WeakPolarHBondContact OE1-CB 3.44Å; E246-T303 PolarHBondContact OE1-OG1 2.85Å; E246-T303 WeakPolarHBondContact OE2-CB 3.43Å; E246-T303 VanDerWaalsContact OE2-CG2 3.25Å; E246-T303 WeakPolarHBondContact OE2-CG2 3.04Å; A299-T303 PolarHBondContact O-N 3.21Å; T300-T303 PolarHBondContact O-N 3.28Å; T303-K306 PolarHBondContact O-N 3.4Å; T303-R307 HydrophobicContact CG2-CG 4.06Å; T303-R307 WeakPolarHBondContact O-CB 3.45Å; T303-R307 VanDerWaalsContact O-CG 3.31Å; T303-R307 WeakPolarHBondContact O-CG 3Å; T303-R307 PolarHBondContact O-N 3.42Å
304	I	89.7	Confident	86.3	Confident	3 Å²	3	55 Å²	55	2%	0.015	29%	0.288	C	S	.	.	H	α-helix	trans	-57.2	-51.9	169.7	-73.2	159.7	0	0	0	110.4	F261 L296 T300 L301 K306 R307 L308 W315	F261-I304 HydrophobicContact CE2-CB 4.34Å; F261-I304 HydrophobicContact CE2-CG1 3.62Å; F261-I304 HydrophobicContact CZ-CB 4.36Å; F261-I304 HydrophobicContact CZ-CG1 4Å; L296-I304 HydrophobicContact CD1-CD1 3.9Å; T300-I304 HydrophobicContact CG2-CD1 3.94Å; T300-I304 WeakPolarHBondContact O-CB 3.25Å; T300-I304 WeakPolarHBondContact O-CD1 3.46Å; T300-I304 WeakPolarHBondContact O-CG1 3.21Å; T300-I304 PolarHBondContact O-N 2.98Å; L301-I304 HydrophobicContact CD2-CD1 4.15Å; L301-I304 PolarHBondContact O-N 3.33Å; I304-K306 VanDerWaalsContact C-N 3.33Å; I304-K306 PolarHBondContact O-N 3.28Å; I304-R307 PolarHBondContact O-N 3.04Å; I304-L308 HydrophobicContact CG2-CD1 3.88Å; I304-L308 WeakPolarHBondContact O-CB 3.49Å; I304-L308 PolarHBondContact O-N 3.21Å; I304-W315 HydrophobicContact CD1-CH2 4.19Å; I304-W315 HydrophobicContact CD1-CZ2 3.5Å; I304-W315 HydrophobicContact CG1-CZ2 4.26Å; I304-W315 HydrophobicContact CG2-CD2 3.88Å; I304-W315 HydrophobicContact CG2-CG 3.99Å; I304-W315 HydrophobicContact CG2-CZ2 4.16Å
305	A	88.5	Confident	86.4	Confident	52 Å²	52	54.3 Å²	54.3	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-39.9	178.6	0	0	0	0	0	112.5	L301 A302 I312	L301-A305 WeakPolarHBondContact O-CB 3.46Å; L301-A305 PolarHBondContact O-N 2.87Å; A302-A305 PolarHBondContact O-N 2.78Å; A305-I312 HydrophobicContact CB-CD1 4.44Å
306	K	86.7	Confident	86.4	Confident	131 Å²	131	60.2 Å²	60.2	57%	0.57	31%	0.308	S	S	*	.	H	α-helix	trans	-65.9	-37.2	176.9	-177.3	-178.1	175.8	-173.7	0	113.1	A302 T303 I304 Q309	A302-K306 VanDerWaalsContact O-CB 3.31Å; A302-K306 WeakPolarHBondContact O-CB 3.49Å; A302-K306 PolarHBondContact O-N 3.02Å; T303-K306 PolarHBondContact O-N 3.4Å; I304-K306 VanDerWaalsContact C-N 3.33Å; I304-K306 PolarHBondContact O-N 3.28Å; K306-Q309 WeakPolarHBondContact O-CG 3.23Å; K306-Q309 PolarHBondContact O-NE2 3.2Å
307	R	84.6	Confident	86.3	Confident	50 Å²	50	61.9 Å²	61.9	19%	0.189	33%	0.326	C	S	.	.	H	α-helix	trans	-89.6	-31.5	-176.1	-68.1	-173.3	-169.5	-61.7	-0.5	114.1	E254 F261 T303 I304 Q309	E254-R307 IonicContact OE1-CZ 2.92Å; E254-R307 VanDerWaalsContact OE1-CZ 3.27Å; E254-R307 IonicContact OE1-NH1 3.37Å; E254-R307 PolarHBondContact OE1-NH1 3Å; E254-R307 IonicContact OE1-NH2 3.63Å; E254-R307 PolarHBondContact OE1-NH2 3.33Å; F261-R307 HydrophobicContact CD1-CB 4.24Å; F261-R307 HydrophobicContact CE1-CB 3.71Å; F261-R307 HydrophobicContact CZ-CB 3.91Å; T303-R307 HydrophobicContact CG2-CG 4.06Å; T303-R307 WeakPolarHBondContact O-CB 3.45Å; T303-R307 VanDerWaalsContact O-CG 3.31Å; T303-R307 WeakPolarHBondContact O-CG 3Å; T303-R307 PolarHBondContact O-N 3.42Å; I304-R307 PolarHBondContact O-N 3.04Å; R307-Q309 PolarHBondContact O-N 3.3Å
308	L	84.7	Confident	86.2	Confident	10 Å²	10	58.8 Å²	58.8	5%	0.052	31%	0.311	C	S	.	.			trans	-96	31.5	-175.9	-64.8	-177.6	0	0	0	114.6	F261 F265 I304 N310 K311 I312 W315	F261-L308 HydrophobicContact CE1-CD2 3.76Å; F261-L308 HydrophobicContact CE1-CG 3.91Å; F261-L308 HydrophobicContact CZ-CD1 4.27Å; F261-L308 HydrophobicContact CZ-CD2 4.25Å; F261-L308 HydrophobicContact CZ-CG 3.89Å; F265-L308 HydrophobicContact CD1-CD2 4.22Å; F265-L308 HydrophobicContact CD2-CD1 3.54Å; F265-L308 HydrophobicContact CD2-CD2 3.78Å; F265-L308 HydrophobicContact CD2-CG 4.32Å; F265-L308 HydrophobicContact CE1-CD2 4.2Å; F265-L308 HydrophobicContact CE2-CD1 3.44Å; F265-L308 VanDerWaalsContact CE2-CD1 3.44Å; F265-L308 HydrophobicContact CE2-CD2 3.77Å; F265-L308 HydrophobicContact CE2-CG 4.28Å; F265-L308 HydrophobicContact CG-CD2 4.01Å; F265-L308 HydrophobicContact CZ-CD1 4.34Å; F265-L308 HydrophobicContact CZ-CD2 3.99Å; I304-L308 HydrophobicContact CG2-CD1 3.88Å; I304-L308 WeakPolarHBondContact O-CB 3.49Å; I304-L308 PolarHBondContact O-N 3.21Å; L308-N310 PolarHBondContact O-N 3.25Å; L308-K311 CarbonylContact O-C 3.44Å; L308-K311 PolarHBondContact O-N 3.18Å; L308-I312 WeakPolarHBondContact O-CB 3.37Å; L308-I312 PolarHBondContact O-N 3.32Å; L308-W315 HydrophobicContact CD1-CB 4.22Å; L308-W315 HydrophobicContact CD1-CD2 4.08Å; L308-W315 HydrophobicContact CD1-CE3 3.79Å; L308-W315 HydrophobicContact CD1-CG 4.28Å
309	Q	77.5	Confident	86.1	Confident	153 Å²	153	55 Å²	55	72%	0.715	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-34.8	-173.6	-61.3	176.6	18.8	0	0	114.2	K306 R307	K306-Q309 WeakPolarHBondContact O-CG 3.23Å; K306-Q309 PolarHBondContact O-NE2 3.2Å; R307-Q309 PolarHBondContact O-N 3.3Å
310	N	76.9	Confident	86.1	Confident	90 Å²	90	56.2 Å²	56.2	48%	0.481	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-1.4	179.3	64.3	-6.5	0	0	0	115.3	L308	L308-N310 PolarHBondContact O-N 3.25Å
311	K	83.4	Confident	85.9	Confident	54 Å²	54	56.1 Å²	56.1	24%	0.235	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	11	-179.6	-71.1	-169.2	175.9	-173	0	113.3	F265 L308 E313 F314 W315	F265-K311 HydrophobicContact CE1-CD 3.48Å; F265-K311 VanDerWaalsContact CE1-CD 3.48Å; F265-K311 HydrophobicContact CZ-CB 4Å; F265-K311 HydrophobicContact CZ-CD 3.57Å; F265-K311 HydrophobicContact CZ-CG 4.45Å; L308-K311 CarbonylContact O-C 3.44Å; L308-K311 PolarHBondContact O-N 3.18Å; K311-E313 PolarHBondContact O-N 2.97Å; K311-F314 WeakPolarHBondContact O-CB 3.08Å; K311-F314 PolarHBondContact O-N 3.19Å; K311-F314 VanDerWaalsContact O-N 3.16Å; K311-W315 PolarHBondContact O-N 3.23Å
312	I	85.2	Confident	85.9	Confident	40 Å²	40	55 Å²	55	21%	0.205	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-28.7	-174.1	-166.2	61.7	0	0	0	113.1	A305 L308 W315 K316	A305-I312 HydrophobicContact CB-CD1 4.44Å; L308-I312 WeakPolarHBondContact O-CB 3.37Å; L308-I312 PolarHBondContact O-N 3.32Å; I312-W315 PolarHBondContact O-N 2.71Å; I312-K316 HydrophobicContact CG1-CD 4.37Å; I312-K316 WeakPolarHBondContact O-CG 3.48Å; I312-K316 PolarHBondContact O-N 3.43Å
313	E	84.7	Confident	85.8	Confident	170 Å²	170	54.6 Å²	54.6	79%	0.794	29%	0.286	S	S	*	.	H	α-helix	trans	-64.2	-42.5	176.7	-59.8	-176.5	158.3	0	0	112.2	K311 W315 K316 G317	K311-E313 PolarHBondContact O-N 2.97Å; E313-W315 VanDerWaalsContact C-N 3.32Å; E313-W315 PolarHBondContact O-N 2.79Å; E313-K316 PolarHBondContact O-N 3.31Å; E313-G317 PolarHBondContact O-N 3.22Å
314	F	88.5	Confident	85.7	Confident	45 Å²	45	55.8 Å²	55.8	20%	0.197	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-43.8	173.8	165.7	-95.6	0	0	0	110.9	F265 V268 Q269 D272 K311 G317 L318	F265-F314 AromaticContact CE2-CD1 3.84Å; F265-F314 HydrophobicContact CE2-CD1 3.84Å; F265-F314 AromaticContact CE2-CE1 4Å; F265-F314 HydrophobicContact CE2-CE1 4Å; F265-F314 AromaticContact CZ-CD1 3.93Å; F265-F314 HydrophobicContact CZ-CD1 3.93Å; F265-F314 HydrophobicContact CZ-CE1 4.25Å; V268-F314 HydrophobicContact CG1-CE1 4.46Å; V268-F314 HydrophobicContact CG1-CZ 4.49Å; Q269-F314 HydrophobicContact CB-CZ 4.36Å; Q269-F314 HydrophobicContact CG-CD1 4.44Å; Q269-F314 HydrophobicContact CG-CE1 3.83Å; Q269-F314 HydrophobicContact CG-CZ 4.1Å; Q269-F314 VanDerWaalsContact NE2-CD1 3.28Å; D272-F314 WeakPolarHBondContact OD2-CE2 3.28Å; K311-F314 WeakPolarHBondContact O-CB 3.08Å; K311-F314 PolarHBondContact O-N 3.19Å; K311-F314 VanDerWaalsContact O-N 3.16Å; F314-G317 CarbonylContact O-C 3.52Å; F314-G317 WeakPolarHBondContact O-CA 3.35Å; F314-G317 PolarHBondContact O-N 3Å; F314-L318 HydrophobicContact CE1-CD1 4.29Å; F314-L318 HydrophobicContact CE1-CD2 4.47Å; F314-L318 HydrophobicContact CE2-CD2 4.41Å; F314-L318 HydrophobicContact CZ-CD2 4.01Å; F314-L318 PolarHBondContact O-N 2.81Å
315	W	88	Confident	85.4	Confident	3 Å²	3	56 Å²	56	1%	0.011	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-43.8	-179.2	-166.7	-86.7	0	0	0	112.6	F242 F265 V268 L296 I304 L308 K311 I312 E313 G317 L318 W322 N323	F242-W315 HydrophobicContact CD2-CH2 4.28Å; F242-W315 HydrophobicContact CE1-CH2 4.46Å; F242-W315 AromaticContact CE2-CH2 3.72Å; F242-W315 HydrophobicContact CE2-CH2 3.72Å; F242-W315 HydrophobicContact CE2-CZ3 4.26Å; F242-W315 AromaticContact CZ-CH2 3.81Å; F242-W315 HydrophobicContact CZ-CH2 3.81Å; F242-W315 HydrophobicContact CZ-CZ3 4.07Å; F265-W315 AromaticContact CD2-CE3 3.82Å; F265-W315 HydrophobicContact CD2-CE3 3.82Å; F265-W315 AromaticContact CD2-CZ3 3.82Å; F265-W315 HydrophobicContact CD2-CZ3 3.82Å; F265-W315 AromaticContact CE2-CE3 3.9Å; F265-W315 HydrophobicContact CE2-CE3 3.9Å; F265-W315 HydrophobicContact CE2-CZ3 4.35Å; V268-W315 HydrophobicContact CG2-CZ3 4.49Å; L296-W315 HydrophobicContact CD1-CZ2 3.67Å; I304-W315 HydrophobicContact CD1-CH2 4.19Å; I304-W315 HydrophobicContact CD1-CZ2 3.5Å; I304-W315 HydrophobicContact CG1-CZ2 4.26Å; I304-W315 HydrophobicContact CG2-CD2 3.88Å; I304-W315 HydrophobicContact CG2-CG 3.99Å; I304-W315 HydrophobicContact CG2-CZ2 4.16Å; L308-W315 HydrophobicContact CD1-CB 4.22Å; L308-W315 HydrophobicContact CD1-CD2 4.08Å; L308-W315 HydrophobicContact CD1-CE3 3.79Å; L308-W315 HydrophobicContact CD1-CG 4.28Å; K311-W315 PolarHBondContact O-N 3.23Å; I312-W315 PolarHBondContact O-N 2.71Å; E313-W315 VanDerWaalsContact C-N 3.32Å; E313-W315 PolarHBondContact O-N 2.79Å; W315-G317 PolarHBondContact O-N 2.96Å; W315-L318 HydrophobicContact CD2-CD1 4.15Å; W315-L318 HydrophobicContact CE3-CD1 3.98Å; W315-L318 HydrophobicContact CZ3-CD1 4.35Å; W315-L318 WeakPolarHBondContact O-CB 3.48Å; W315-L318 PolarHBondContact O-N 3.43Å; W315-L318 VanDerWaalsContact O-N 3.14Å; W315-W322 AromaticContact CH2-CE3 3.58Å; W315-W322 HydrophobicContact CH2-CE3 3.58Å; W315-W322 AromaticContact CH2-CZ3 3.76Å; W315-W322 HydrophobicContact CH2-CZ3 3.76Å; W315-W322 AromaticContact CZ2-CE3 3.56Å; W315-W322 HydrophobicContact CZ2-CE3 3.56Å; W315-W322 HydrophobicContact CZ2-CZ3 4.19Å; W315-W322 HydrophobicContact CZ3-CE3 4.38Å; W315-W322 PolarHBondContact NE1-O 2.7Å; W315-N323 PolarHBondContact O-ND2 2.96Å
316	K	86.4	Confident	85	Confident	137 Å²	137	56.1 Å²	56.1	60%	0.596	29%	0.292	S	S	*	.	H	α-helix	trans	-60.4	-36.6	171.5	-72.3	175.5	175.2	-179.8	0	111.6	I312 E313 L318 G319	I312-K316 HydrophobicContact CG1-CD 4.37Å; I312-K316 WeakPolarHBondContact O-CG 3.48Å; I312-K316 PolarHBondContact O-N 3.43Å; E313-K316 PolarHBondContact O-N 3.31Å; K316-L318 PolarHBondContact O-N 2.93Å; K316-G319 PolarHBondContact O-N 3.19Å
317	G	87.1	Confident	84.6	Confident	36 Å²	36	56.1 Å²	56.1	37%	0.371	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-7.3	175.2	0	0	0	0	0	116	R289 E313 F314 W315 G319	R289-G317 PolarHBondContact NH1-O 3.12Å; R289-G317 PolarHBondContact NH2-O 2.96Å; E313-G317 PolarHBondContact O-N 3.22Å; F314-G317 CarbonylContact O-C 3.52Å; F314-G317 WeakPolarHBondContact O-CA 3.35Å; F314-G317 PolarHBondContact O-N 3Å; W315-G317 PolarHBondContact O-N 2.96Å; G317-G319 VanDerWaalsContact C-N 3.3Å
318	L	86.5	Confident	84.3	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-11.3	171.3	-62.3	173.1	0	0	0	113.2	V268 D272 R289 F314 W315 K316 W322	V268-L318 HydrophobicContact CG1-CD1 3.69Å; V268-L318 HydrophobicContact CG1-CD2 4.34Å; D272-L318 HydrophobicContact CB-CD2 4.33Å; R289-L318 VanDerWaalsContact CB-O 3.31Å; R289-L318 WeakPolarHBondContact CB-O 3.33Å; R289-L318 WeakPolarHBondContact CG-O 3.24Å; F314-L318 HydrophobicContact CE1-CD1 4.29Å; F314-L318 HydrophobicContact CE1-CD2 4.47Å; F314-L318 HydrophobicContact CE2-CD2 4.41Å; F314-L318 HydrophobicContact CZ-CD2 4.01Å; F314-L318 PolarHBondContact O-N 2.81Å; W315-L318 HydrophobicContact CD2-CD1 4.15Å; W315-L318 HydrophobicContact CE3-CD1 3.98Å; W315-L318 HydrophobicContact CZ3-CD1 4.35Å; W315-L318 WeakPolarHBondContact O-CB 3.48Å; W315-L318 PolarHBondContact O-N 3.43Å; W315-L318 VanDerWaalsContact O-N 3.14Å; K316-L318 PolarHBondContact O-N 2.93Å; L318-W322 HydrophobicContact CB-CB 3.91Å; L318-W322 HydrophobicContact CB-CG 3.84Å; L318-W322 HydrophobicContact CD1-CB 4.28Å; L318-W322 HydrophobicContact CD1-CD2 4.03Å; L318-W322 HydrophobicContact CD1-CE3 4.33Å; L318-W322 HydrophobicContact CD1-CG 4.01Å
319	G	86.4	Confident	84	Confident	25 Å²	25	61.9 Å²	61.9	26%	0.258	32%	0.318	S	S	.	.			trans	88.6	-176.5	177.3	0	0	0	0	0	114.8	K316 G317 A321 W322 N323	K316-G319 PolarHBondContact O-N 3.19Å; G317-G319 VanDerWaalsContact C-N 3.3Å; G319-A321 VanDerWaalsContact C-N 3.33Å; G319-A321 PolarHBondContact O-N 3.29Å; G319-W322 PolarHBondContact O-N 3.17Å; G319-N323 PolarHBondContact O-ND2 3.11Å
320	P	85.3	Confident	83.4	Confident	81 Å²	81	60.8 Å²	60.8	53%	0.526	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-64.4	-33.6	-166.9	25.1	-34.5	0	0	0	113.3	W322 N323 T324 W329	P320-W322 PolarHBondContact O-N 3.48Å; P320-N323 PolarHBondContact O-N 3.01Å; P320-T324 WeakPolarHBondContact O-CB 3.48Å; P320-T324 PolarHBondContact O-N 3.39Å; P320-T324 PolarHBondContact O-OG1 2.78Å; P320-W329 HydrophobicContact CB-CH2 4.28Å; P320-W329 HydrophobicContact CB-CZ3 4.04Å; P320-W329 HydrophobicContact CG-CH2 4.46Å
321	A	86.3	Confident	83.1	Confident	2 Å²	2	62.4 Å²	62.4	2%	0.017	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-58	-18.2	178.8	0	0	0	0	0	114.7	K239 R289 G319	K239-A321 VanDerWaalsContact CE-O 3.3Å; K239-A321 WeakPolarHBondContact CE-O 3.49Å; K239-A321 PolarHBondContact NZ-O 3.5Å; R289-A321 WeakPolarHBondContact O-CB 3.49Å; G319-A321 VanDerWaalsContact C-N 3.33Å; G319-A321 PolarHBondContact O-N 3.29Å
322	W	89.9	Confident	81.9	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.008	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-112.4	-0.7	178.3	-68.2	85.6	0	0	0	114	I235 V238 K239 F242 V268 V288 L296 L301 W315 L318 G319 P320	I235-W322 HydrophobicContact CG2-CH2 4.39Å; I235-W322 HydrophobicContact CG2-CZ2 3.78Å; V238-W322 HydrophobicContact CG1-CH2 4.28Å; K239-W322 HydrophobicContact CD-CD2 4.49Å; K239-W322 HydrophobicContact CD-CH2 4.05Å; K239-W322 HydrophobicContact CD-CZ2 3.9Å; K239-W322 HydrophobicContact CD-CZ3 4.4Å; K239-W322 HydrophobicContact CG-CE3 4.16Å; K239-W322 HydrophobicContact CG-CH2 3.36Å; K239-W322 HydrophobicContact CG-CZ2 3.75Å; K239-W322 HydrophobicContact CG-CZ3 3.59Å; F242-W322 HydrophobicContact CD2-CZ3 4.48Å; F242-W322 HydrophobicContact CE2-CZ3 4.35Å; V268-W322 HydrophobicContact CG1-CH2 4.23Å; V268-W322 HydrophobicContact CG1-CZ2 4.5Å; V268-W322 HydrophobicContact CG1-CZ3 4.42Å; V268-W322 HydrophobicContact CG2-CH2 3.6Å; V268-W322 HydrophobicContact CG2-CZ3 3.74Å; V288-W322 HydrophobicContact CG1-CZ2 4Å; V288-W322 PolarHBondContact O-NE1 3.1Å; L296-W322 HydrophobicContact CD1-CE3 3.98Å; L301-W322 WeakPolarHBondContact CD2-O 3.3Å; W315-W322 AromaticContact CH2-CE3 3.58Å; W315-W322 HydrophobicContact CH2-CE3 3.58Å; W315-W322 AromaticContact CH2-CZ3 3.76Å; W315-W322 HydrophobicContact CH2-CZ3 3.76Å; W315-W322 AromaticContact CZ2-CE3 3.56Å; W315-W322 HydrophobicContact CZ2-CE3 3.56Å; W315-W322 HydrophobicContact CZ2-CZ3 4.19Å; W315-W322 HydrophobicContact CZ3-CE3 4.38Å; W315-W322 PolarHBondContact NE1-O 2.7Å; L318-W322 HydrophobicContact CB-CB 3.91Å; L318-W322 HydrophobicContact CB-CG 3.84Å; L318-W322 HydrophobicContact CD1-CB 4.28Å; L318-W322 HydrophobicContact CD1-CD2 4.03Å; L318-W322 HydrophobicContact CD1-CE3 4.33Å; L318-W322 HydrophobicContact CD1-CG 4.01Å; G319-W322 PolarHBondContact O-N 3.17Å; P320-W322 PolarHBondContact O-N 3.48Å
323	N	87.3	Confident	80.9	Confident	52 Å²	52	70 Å²	70	28%	0.278	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-12.1	-170.2	-70	-89.8	0	0	0	113.7	W315 G319 P320	W315-N323 PolarHBondContact O-ND2 2.96Å; G319-N323 PolarHBondContact O-ND2 3.11Å; P320-N323 PolarHBondContact O-N 3.01Å
324	T	85.5	Confident	79.5	Confident	36 Å²	36	65.4 Å²	65.4	22%	0.221	36%	0.359	C	S	.	.	S	Bend	trans	-105.8	126.7	175.6	-54.3	0	0	0	0	110	P320 K328 W329	P320-T324 WeakPolarHBondContact O-CB 3.48Å; P320-T324 PolarHBondContact O-N 3.39Å; P320-T324 PolarHBondContact O-OG1 2.78Å; T324-K328 HydrophobicContact CG2-CB 3.84Å; T324-K328 WeakPolarHBondContact CG2-O 3.34Å; T324-W329 HydrophobicContact CG2-CE3 3.8Å; T324-W329 HydrophobicContact CG2-CZ3 4.42Å
325	P	84.6	Confident	78.4	Confident	7 Å²	7	75 Å²	75	5%	0.045	39%	0.394	C	S	.	.			trans	-80.6	164.5	176.2	34.4	-36.4	0	0	0	112.5	L296 E298 L301 E327 K328 W329	L296-P325 VanDerWaalsContact O-CA 3.28Å; L296-P325 WeakPolarHBondContact O-CA 3.08Å; L296-P325 WeakPolarHBondContact O-CB 3.38Å; E298-P325 HydrophobicContact CB-CB 4.16Å; E298-P325 HydrophobicContact CB-CG 4.41Å; L301-P325 HydrophobicContact CD1-CB 3.8Å; L301-P325 HydrophobicContact CD1-CG 4.12Å; P325-E327 WeakPolarHBondContact CB-OE2 3.26Å; P325-E327 PolarHBondContact O-N 2.76Å; P325-E327 VanDerWaalsContact O-N 3.15Å; P325-K328 HydrophobicContact CG-CB 4.2Å; P325-K328 HydrophobicContact CG-CD 3.8Å; P325-K328 HydrophobicContact CG-CG 4.17Å; P325-K328 PolarHBondContact O-N 3.2Å; P325-W329 PolarHBondContact O-N 3.39Å
326	P	80.4	Confident	77.9	Confident	55 Å²	55	76.1 Å²	76.1	36%	0.357	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-50.7	-39.7	-176.3	-25.3	31.5	0	0	0	114.6	L295 L296 K328 W329	L295-P326 HydrophobicContact CB-CG 3.95Å; L296-P326 WeakPolarHBondContact O-CD 3.33Å; P326-K328 PolarHBondContact O-N 2.85Å; P326-W329 PolarHBondContact O-N 3.11Å
327	E	77.5	Confident	77.3	Confident	131 Å²	131	74.1 Å²	74.1	61%	0.612	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-71	-12.3	-175.8	-53.3	74	-161	0	0	113.1	P325	P325-E327 WeakPolarHBondContact CB-OE2 3.26Å; P325-E327 PolarHBondContact O-N 2.76Å; P325-E327 VanDerWaalsContact O-N 3.15Å
328	K	77.5	Confident	76.7	Confident	126 Å²	126	73 Å²	73	55%	0.548	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-118.2	8.5	-177.5	-63.8	171.4	-172	163.8	0	112	E298 T324 P325 P326	E298-K328 IonicContact OE1-NZ 3.74Å; E298-K328 PolarHBondContact OE1-NZ 2.77Å; E298-K328 IonicContact OE2-NZ 3.81Å; T324-K328 HydrophobicContact CG2-CB 3.84Å; T324-K328 WeakPolarHBondContact CG2-O 3.34Å; P325-K328 HydrophobicContact CG-CB 4.2Å; P325-K328 HydrophobicContact CG-CD 3.8Å; P325-K328 HydrophobicContact CG-CG 4.17Å; P325-K328 PolarHBondContact O-N 3.2Å; P326-K328 PolarHBondContact O-N 2.85Å
329	W	78.9	Confident	76.1	Confident	55 Å²	55	80.8 Å²	80.8	21%	0.208	42%	0.424	C	S	.	.			trans	-89.5	137.6	171.2	-157.5	-97.9	0	0	0	110.5	V292 L295 P320 T324 P325 P326 E331 L333	V292-W329 HydrophobicContact CB-CZ2 4.38Å; V292-W329 HydrophobicContact CG1-CD2 4.15Å; V292-W329 HydrophobicContact CG1-CE3 4.48Å; V292-W329 HydrophobicContact CG1-CH2 3.84Å; V292-W329 HydrophobicContact CG1-CZ2 3.42Å; V292-W329 VanDerWaalsContact CG1-CZ2 3.42Å; V292-W329 HydrophobicContact CG1-CZ3 4.34Å; V292-W329 HydrophobicContact CG2-CH2 4.33Å; V292-W329 HydrophobicContact CG2-CZ2 3.97Å; L295-W329 HydrophobicContact CD1-CB 3.53Å; L295-W329 HydrophobicContact CD1-CD2 3.86Å; L295-W329 HydrophobicContact CD1-CE3 4Å; L295-W329 HydrophobicContact CD1-CG 3.63Å; L295-W329 HydrophobicContact CD2-CD2 4.34Å; L295-W329 HydrophobicContact CD2-CE3 3.86Å; L295-W329 HydrophobicContact CD2-CZ3 4.14Å; P320-W329 HydrophobicContact CB-CH2 4.28Å; P320-W329 HydrophobicContact CB-CZ3 4.04Å; P320-W329 HydrophobicContact CG-CH2 4.46Å; T324-W329 HydrophobicContact CG2-CE3 3.8Å; T324-W329 HydrophobicContact CG2-CZ3 4.42Å; P325-W329 PolarHBondContact O-N 3.39Å; P326-W329 PolarHBondContact O-N 3.11Å; W329-E331 PolarHBondContact NE1-OE2 3.1Å; W329-E331 PolarHBondContact O-N 2.94Å; W329-L333 HydrophobicContact CG-CD1 4.42Å
330	S	66.1	Low	75.4	Confident	130 Å²	130	82 Å²	82	91%	0.909	42%	0.423	S	S	*	.	S	Bend	trans	-74.5	-10.9	-174.6	-52.5	0	0	0	0	114.4
331	E	69.1	Low	74	Confident	123 Å²	123	81.1 Å²	81.1	58%	0.575	42%	0.422	S	S	*	.	S	Bend	trans	-118.8	137.2	-174.1	-56.4	169.3	136.8	0	0	110.2	W329 L333	W329-E331 PolarHBondContact NE1-OE2 3.1Å; W329-E331 PolarHBondContact O-N 2.94Å; E331-L333 HydrophobicContact CB-CD2 4.29Å; E331-L333 PolarHBondContact O-N 2.84Å
332	H	58.6	Low	71.7	Confident	201 Å²	201	85.8 Å²	85.8	93%	0.931	46%	0.455	S	S	*	.			trans	-82.1	85.1	177	-163.8	77.9	0	0	0	110.3
333	L	63.8	Low	69.5	Low	54 Å²	54	92 Å²	92	28%	0.283	48%	0.482	S	S	.	.			trans	-67.9	154.8	-177.3	-60.6	175.4	0	0	0	112.7	V292 E293 L295 W329 E331	V292-L333 HydrophobicContact CB-CD1 4.45Å; V292-L333 HydrophobicContact CG1-CD1 3.5Å; V292-L333 VanDerWaalsContact CG1-CD1 3.5Å; E293-L333 HydrophobicContact CG-CB 4.24Å; E293-L333 HydrophobicContact CG-CD1 4.09Å; E293-L333 HydrophobicContact CG-CD2 4.45Å; E293-L333 HydrophobicContact CG-CG 4.5Å; L295-L333 HydrophobicContact CD1-CD1 3.68Å; L295-L333 HydrophobicContact CG-CD1 4.02Å; W329-L333 HydrophobicContact CG-CD1 4.42Å; E331-L333 HydrophobicContact CB-CD2 4.29Å; E331-L333 PolarHBondContact O-N 2.84Å
334	A	56.6	Low	66.7	Low	72 Å²	72	93.2 Å²	93.2	60%	0.595	50%	0.495	S	S	*	.			trans	-72.2	145.3	178.7	0	0	0	0	0	110.7	E293 Y336	E293-A334 PolarHBondContact OE1-N 3.46Å; A334-Y336 PolarHBondContact O-N 2.9Å
335	R	65.1	Low	63.9	Low	248 Å²	248	98 Å²	98	94%	0.936	52%	0.524	S	S	*	.			trans	-69.3	100.8	175.7	-164.8	177.6	-157.2	162.8	7.2	109.4	S337	R335-S337 PolarHBondContact O-N 3.23Å
336	Y	77.1	Confident	61.2	Low	26 Å²	26	104 Å²	104	10%	0.102	56%	0.555	C	S	.	*			trans	-53.9	126.1	178.9	172.7	-124.9	0	0	0	111.6	E233 R236 K237 Y240 P294 A334 P338	E233-Y336 PolarHBondContact OE1-OH 3.01Å; E233-Y336 WeakPolarHBondContact OE2-CE2 3.2Å; E233-Y336 PolarHBondContact OE2-OH 3.14Å; R236-Y336 HydrophobicContact CB-CE1 3.95Å; R236-Y336 HydrophobicContact CB-CE2 4.08Å; R236-Y336 WeakPolarHBondContact CB-OH 3.41Å; R236-Y336 VanDerWaalsContact NE-CE2 3.25Å; K237-Y336 WeakPolarHBondContact CG-OH 3.49Å; Y240-Y336 HydrophobicContact CG-CD1 4.35Å; Y240-Y336 HydrophobicContact CG-CE1 4.23Å; P294-Y336 HydrophobicContact CB-CD1 4.04Å; P294-Y336 HydrophobicContact CG-CD1 3.69Å; P294-Y336 HydrophobicContact CG-CE1 4.24Å; A334-Y336 PolarHBondContact O-N 2.9Å; Y336-P338 HydrophobicContact CE1-CB 3.95Å; Y336-P338 HydrophobicContact CE2-CB 4.41Å; Y336-P338 WeakPolarHBondContact OH-CB 3.34Å
337	S	73.2	Confident	58.6	Low	95 Å²	95	106.6 Å²	106.6	66%	0.664	56%	0.561	S	S	*	*			trans	-114.8	116.1	168.3	-169.2	0	0	0	0	107.5	R335	R335-S337 PolarHBondContact O-N 3.23Å
338	P	75.6	Confident	56.1	Low	12 Å²	12	107.6 Å²	107.6	8%	0.078	56%	0.559	C	S	.	*			trans	-69.7	137.3	-175.1	29.1	-36.9	0	0	0	112	M180 K237 Y240 Y336 F340	M180-P338 HydrophobicContact CE-CG 3.57Å; K237-P338 HydrophobicContact CG-CB 4.28Å; Y240-P338 HydrophobicContact CD1-CB 4.41Å; Y240-P338 HydrophobicContact CD1-CG 3.86Å; Y240-P338 HydrophobicContact CE1-CG 3.63Å; Y336-P338 HydrophobicContact CE1-CB 3.95Å; Y336-P338 HydrophobicContact CE2-CB 4.41Å; Y336-P338 WeakPolarHBondContact OH-CB 3.34Å; P338-F340 HydrophobicContact CB-CD1 4.44Å; P338-F340 HydrophobicContact CB-CE1 3.9Å; P338-F340 HydrophobicContact CB-CE2 4.17Å; P338-F340 HydrophobicContact CB-CZ 3.76Å; P338-F340 HydrophobicContact CG-CD2 4.43Å; P338-F340 HydrophobicContact CG-CE1 4.11Å; P338-F340 HydrophobicContact CG-CE2 3.62Å; P338-F340 HydrophobicContact CG-CZ 3.43Å; P338-F340 VanDerWaalsContact CG-CZ 3.43Å
339	Q	73.9	Confident	53.8	Low	163 Å²	163	109.5 Å²	109.5	76%	0.762	57%	0.57	S	S	*	*			trans	-96.4	95.7	175.7	-67.2	-171.3	4.7	0	0	109.6	E233 K237	E233-Q339 PolarHBondContact OE1-N 3Å; K237-Q339 WeakPolarHBondContact CE-O 3.28Å; K237-Q339 PolarHBondContact NZ-O 2.73Å
340	F	71.3	Confident	51.2	Low	50 Å²	50	112.8 Å²	112.8	22%	0.219	60%	0.596	C	S	.	*			trans	-76.6	144.5	-177.4	-62.4	-59.6	0	0	0	113.2	M180 Q183 C184 D187 K237 P338 S342	M180-F340 HydrophobicContact CE-CE2 3.67Å; M180-F340 HydrophobicContact CE-CZ 4.16Å; M180-F340 HydrophobicContact SD-CE2 3.76Å; M180-F340 HydrophobicContact SD-CZ 4.46Å; Q183-F340 HydrophobicContact CB-CD1 4.04Å; Q183-F340 HydrophobicContact CB-CD2 4.25Å; Q183-F340 HydrophobicContact CB-CE1 4.02Å; Q183-F340 HydrophobicContact CB-CE2 4.22Å; Q183-F340 HydrophobicContact CB-CG 4.15Å; Q183-F340 HydrophobicContact CB-CZ 4.1Å; Q183-F340 HydrophobicContact CG-CB 3.56Å; Q183-F340 HydrophobicContact CG-CD1 3.4Å; Q183-F340 HydrophobicContact CG-CD2 3.72Å; Q183-F340 HydrophobicContact CG-CE1 3.91Å; Q183-F340 HydrophobicContact CG-CE2 4.18Å; Q183-F340 HydrophobicContact CG-CG 3.27Å; Q183-F340 HydrophobicContact CG-CZ 4.27Å; C184-F340 HydrophobicContact CB-CE1 4.49Å; D187-F340 WeakPolarHBondContact OD2-CA 3.4Å; K237-F340 HydrophobicContact CD-CD1 4.28Å; K237-F340 HydrophobicContact CD-CE1 4.26Å; K237-F340 HydrophobicContact CG-CE1 4.44Å; P338-F340 HydrophobicContact CB-CD1 4.44Å; P338-F340 HydrophobicContact CB-CE1 3.9Å; P338-F340 HydrophobicContact CB-CE2 4.17Å; P338-F340 HydrophobicContact CB-CZ 3.76Å; P338-F340 HydrophobicContact CG-CD2 4.43Å; P338-F340 HydrophobicContact CG-CE1 4.11Å; P338-F340 HydrophobicContact CG-CE2 3.62Å; P338-F340 HydrophobicContact CG-CZ 3.43Å; P338-F340 VanDerWaalsContact CG-CZ 3.43Å; F340-S342 PolarHBondContact O-N 3.26Å
341	A	55.5	Low	49.4	Very low	63 Å²	63	117 Å²	117	52%	0.521	59%	0.593	S	S	.	*			trans	-69.8	100.3	175.4	0	0	0	0	0	110.3	D187 K343	D187-A341 PolarHBondContact OD2-N 3.35Å; D187-A341 VanDerWaalsContact OD2-N 3.13Å; A341-K343 PolarHBondContact O-N 3.27Å
342	S	39.1	Very low	47.5	Very low	101 Å²	101	118.3 Å²	118.3	71%	0.706	60%	0.598	S	S	*	*			trans	-53.6	127.9	171	-176.5	0	0	0	0	109.7	F340 S344	F340-S342 PolarHBondContact O-N 3.26Å; S342-S344 PolarHBondContact O-N 2.94Å; S342-S344 PolarHBondContact O-OG 3.42Å
343	K	42.5	Very low	46	Very low	131 Å²	131	113.8 Å²	113.8	57%	0.57	60%	0.596	S	S	*	*			trans	-75.1	71	175.2	-71.1	170.7	178.7	164.8	0	108.4	D186 A341 V345	D186-K343 WeakPolarHBondContact OD1-CE 3.35Å; D186-K343 IonicContact OD1-NZ 2.7Å; D186-K343 PolarHBondContact OD1-NZ 2.84Å; D186-K343 IonicContact OD2-NZ 2.64Å; A341-K343 PolarHBondContact O-N 3.27Å; K343-V345 PolarHBondContact O-N 3.41Å; K343-V345 VanDerWaalsContact O-N 3.11Å
344	S	28.7	Very low	44.3	Very low	78 Å²	78	119 Å²	119	55%	0.545	62%	0.618	S	S	.	*			trans	-47.8	115.6	-169.1	-60.5	0	0	0	0	112.3	S342 N346	S342-S344 PolarHBondContact O-N 2.94Å; S342-S344 PolarHBondContact O-OG 3.42Å; S344-N346 PolarHBondContact O-N 3.24Å
345	V	27.9	Very low	43	Very low	137 Å²	137	120.2 Å²	120.2	83%	0.83	63%	0.629	S	S	*	*			trans	-72.2	74	176.4	-175.9	0	0	0	0	108.8	K343 K347	K343-V345 PolarHBondContact O-N 3.41Å; K343-V345 VanDerWaalsContact O-N 3.11Å; V345-K347 PolarHBondContact O-N 2.79Å
346	N	26.6	Very low	41.5	Very low	132 Å²	132	116 Å²	116	71%	0.706	63%	0.625	S	S	*	*			trans	-78.6	65.9	-173.2	-93.3	-31.1	0	0	0	112.1	S344	S344-N346 PolarHBondContact O-N 3.24Å
347	K	26.6	Very low	39.2	Very low	111 Å²	111	122.4 Å²	122.4	48%	0.483	66%	0.659	S	S	.	*	S	Bend		-170.7	120.7	129.2	-100.3	150.4	-164.7	-172.4	0	112.2	V345 I724 S726	V345-K347 PolarHBondContact O-N 2.79Å; K347-I724 HydrophobicContact CD-CB 4.38Å; K347-I724 HydrophobicContact CD-CG2 4.16Å; K347-I724 WeakPolarHBondContact CD-O 3.39Å; K347-I724 PolarHBondContact NZ-O 2.81Å; K347-S726 WeakPolarHBondContact CD-OG 3.26Å
348	R	24.8	Very low	37.4	Very low	152 Å²	152	124.4 Å²	124.4	57%	0.574	67%	0.667	S	S	*	*	S	Bend	trans	65.4	83.9	167.6	-56.5	-178	178.7	-161	-0.4	117.2	S726	R348-S726 PolarHBondContact NH2-O 2.93Å; R348-S726 VanDerWaalsContact NH2-O 3.1Å
349	Q	28.8	Very low	35.3	Very low	165 Å²	165	129.8 Å²	129.8	77%	0.771	70%	0.7	S	S	*	*				-167	98.7	114.1	-103.3	177.9	27.5	0	0	110.5
350	T	25.3	Very low	33.2	Very low	124 Å²	124	128.1 Å²	128.1	76%	0.761	70%	0.703	S	S	*	*			trans	-93.3	91	169.4	45.6	0	0	0	0	109.1
351	W	27.5	Very low	31.3	Very low	220 Å²	220	131.4 Å²	131.4	83%	0.833	73%	0.732	S	S	*	*			trans	-86.9	124.2	162.4	-73.1	112.5	0	0	0	108.6	A353	W351-A353 PolarHBondContact O-N 2.93Å
352	H	29.2	Very low	30.1	Very low	150 Å²	150	134.9 Å²	134.9	69%	0.694	75%	0.746	S	S	*	*			trans	-74	121.6	-168.5	-79.8	-124.7	0	0	0	111.7	E354	H352-E354 PolarHBondContact O-N 3.29Å
353	A	27.1	Very low	29.8	Very low	106 Å²	106	133.4 Å²	133.4	88%	0.876	75%	0.747	S	S	*	*			trans	-81.3	64.4	169.3	0	0	0	0	0	111.1	W351	W351-A353 PolarHBondContact O-N 2.93Å
354	E	27.5	Very low	29.2	Very low	163 Å²	163	134 Å²	134	76%	0.762	76%	0.757	S	S	*	*			trans	-116.9	74.2	171.1	-74	-168.3	124	0	0	110.9	H352	H352-E354 PolarHBondContact O-N 3.29Å
355	A	30.4	Very low	29.2	Very low	98 Å²	98	136.2 Å²	136.2	81%	0.81	77%	0.767	S	S	*	*			trans	-108.9	48.8	167.5	0	0	0	0	0	110.5
356	N	33.9	Very low	29.1	Very low	160 Å²	160	137.6 Å²	137.6	86%	0.856	76%	0.764	S	S	*	*			trans	-70.1	129.5	174.7	-108.8	-30.3	0	0	0	110.2	V358	N356-V358 PolarHBondContact O-N 3.38Å
357	I	28.9	Very low	29	Very low	160 Å²	160	138.6 Å²	138.6	82%	0.821	77%	0.768	S	S	*	*			trans	-78	111.1	-169	-58.8	162.5	0	0	0	110.7
358	V	33.5	Very low	29.1	Very low	137 Å²	137	142.9 Å²	142.9	83%	0.83	79%	0.786	S	S	*	*			trans	-139.6	142.1	156.9	-172.5	0	0	0	0	109.9	N356	N356-V358 PolarHBondContact O-N 3.38Å
359	T	31.8	Very low	29	Very low	124 Å²	124	141.6 Å²	141.6	76%	0.761	80%	0.795	S	S	*	*			trans	-77.3	160.2	-176.3	36.6	0	0	0	0	114
360	P	29.4	Very low	28.9	Very low	129 Å²	129	140 Å²	140	84%	0.838	80%	0.797	S	S	*	*			trans	-85.5	151.5	-166.5	33.6	-37.2	0	0	0	114.9
361	S	31.5	Very low	28.9	Very low	118 Å²	118	142.1 Å²	142.1	83%	0.825	80%	0.798	S	S	*	*			trans	-149.6	122.2	158.8	-176.2	0	0	0	0	112.7
362	V	31.3	Very low	28.8	Very low	136 Å²	136	137.3 Å²	137.3	82%	0.824	79%	0.793	S	S	*	*			trans	-12.9	138	159.4	-170.6	0	0	0	0	117.5
363	G	32	Very low	28.9	Very low	70 Å²	70	137.5 Å²	137.5	72%	0.722	80%	0.798	S	S	*	*			trans	172.2	41	171	0	0	0	0	0	120.4
364	D	30.2	Very low	28.8	Very low	144 Å²	144	137.6 Å²	137.6	77%	0.77	79%	0.792	S	S	*	*			trans	27.5	128	153.2	-67.9	-39.3	0	0	0	124.6
365	V	28.3	Very low	29.1	Very low	124 Å²	124	134.8 Å²	134.8	75%	0.752	79%	0.788	S	S	*	*				96.5	130.4	126.7	165	0	0	0	0	123.4
366	E	27.6	Very low	29.1	Very low	167 Å²	167	140.2 Å²	140.2	78%	0.78	79%	0.788	S	S	*	*			trans	54	88.9	156.9	-76.6	-176.4	122	0	0	124.1
367	I	24	Very low	29.1	Very low	152 Å²	152	140 Å²	140	78%	0.779	78%	0.781	S	S	*	*				12.9	121.9	110.4	-51.6	169.9	0	0	0	117.3
368	K	28	Very low	29.1	Very low	202 Å²	202	137 Å²	137	88%	0.878	77%	0.774	S	S	*	*			trans	-154.3	135.3	134.2	-128.5	162.5	-169.9	159.3	0	114.5
369	V	22.4	Very low	29.3	Very low	124 Å²	124	136 Å²	136	75%	0.752	77%	0.77	S	S	*	*			trans	-111.2	131.5	178.9	174.4	0	0	0	0	109.6
370	T	27.1	Very low	29.3	Very low	133 Å²	133	137.7 Å²	137.7	82%	0.816	77%	0.773	S	S	*	*			trans	-147.1	140.3	158.7	-52.8	0	0	0	0	109.4
371	Q	25.2	Very low	29.7	Very low	167 Å²	167	136.8 Å²	136.8	78%	0.78	77%	0.767	S	S	*	*			trans	-93.8	-174.2	178.3	-65.3	176.9	-28.9	0	0	112.3
372	T	26.2	Very low	29.6	Very low	119 Å²	119	136.5 Å²	136.5	73%	0.73	77%	0.766	S	S	*	*				123.5	140	127.8	-20.1	0	0	0	0	116.9
373	I	30.2	Very low	29.7	Very low	154 Å²	154	137.2 Å²	137.2	79%	0.79	76%	0.76	S	S	*	*			trans	76.5	108.4	161	-46.7	-172.7	0	0	0	118.9
374	S	26.6	Very low	29.8	Very low	109 Å²	109	143.5 Å²	143.5	76%	0.762	76%	0.762	S	S	*	*			trans	-91.4	168.9	150.3	-38.4	0	0	0	0	109.8
375	P	33.9	Very low	29.9	Very low	104 Å²	104	142.5 Å²	142.5	68%	0.675	76%	0.76	S	S	*	*				-166	179.6	92.8	43.9	-23.2	0	0	0	119
376	R	30.5	Very low	30.1	Very low	212 Å²	212	148 Å²	148	80%	0.8	77%	0.768	S	S	*	*			trans	71.5	154.9	163.5	-51.6	175.2	-172.7	-174	0.5	116
377	H	33.9	Very low	30.4	Very low	155 Å²	155	146 Å²	146	72%	0.718	77%	0.767	S	S	*	*			cis	-128.6	162.9	4.9	-95	-63.4	0	0	0	109.3
378	S	29	Very low	31.1	Very low	97 Å²	97	144.6 Å²	144.6	68%	0.678	77%	0.768	S	S	*	*			cis	101.7	145.7	36.4	-52.4	0	0	0	0	114.1
379	P	37.3	Very low	31.2	Very low	115 Å²	115	140.1 Å²	140.1	75%	0.747	76%	0.762	S	S	*	*			trans	-135.6	-164.6	-141.8	40.6	-20.9	0	0	0	117.3
380	I	31.7	Very low	32.1	Very low	161 Å²	161	140 Å²	140	83%	0.826	76%	0.764	S	S	*	*			trans	97.6	144.3	159	-70.8	165.2	0	0	0	118.3
381	P	36.2	Very low	32.5	Very low	109 Å²	109	139.5 Å²	139.5	71%	0.708	76%	0.76	S	S	*	*			trans	-123	175.9	-164.8	43.6	-29.5	0	0	0	116
382	S	29.9	Very low	33	Very low	113 Å²	113	142.9 Å²	142.9	79%	0.79	77%	0.766	S	S	*	*			trans	178.9	175.4	151.8	-85.8	0	0	0	0	114.1
383	E	33.5	Very low	33.5	Very low	150 Å²	150	144.7 Å²	144.7	70%	0.701	77%	0.766	S	S	*	*			trans	78.8	144.2	160.6	-59	-107.9	99.9	0	0	118.5
384	R	34.7	Very low	33.7	Very low	202 Å²	202	145 Å²	145	76%	0.762	77%	0.768	S	S	*	*			cis	-159.9	151.2	-17	178.8	-177.7	-72.7	-178.7	-0.1	110.2
385	V	31	Very low	34	Very low	123 Å²	123	143 Å²	143	75%	0.745	77%	0.765	S	S	*	*			trans	-82.5	145.9	-176.4	170.7	0	0	0	0	114.5
386	R	34.3	Very low	33.9	Very low	240 Å²	240	144.5 Å²	144.5	91%	0.906	77%	0.772	S	S	*	*			trans	-170.4	162.8	137.4	-102.7	154.1	-160	-130.5	1	116.5
387	T	32.2	Very low	34.1	Very low	126 Å²	126	142.4 Å²	142.4	77%	0.773	77%	0.771	S	S	*	*			trans	-101.3	-168.2	-169.2	50.9	0	0	0	0	111.4
388	P	38.5	Very low	34.1	Very low	122 Å²	122	140.5 Å²	140.5	79%	0.792	77%	0.771	S	S	*	*			cis	-144.4	-163.2	11.2	44.6	-22	0	0	0	117.9
389	S	32.1	Very low	34.5	Very low	108 Å²	108	143.2 Å²	143.2	76%	0.755	78%	0.776	S	S	*	*			trans	-105.2	175.2	-174	-36.8	0	0	0	0	115.1
390	P	40.6	Very low	34.5	Very low	122 Å²	122	143.1 Å²	143.1	79%	0.792	78%	0.775	S	S	*	*			trans	-127.2	140.6	134.6	35.8	-26.1	0	0	0	111.5
391	V	34.4	Very low	34.5	Very low	122 Å²	122	141.2 Å²	141.2	74%	0.739	77%	0.771	S	S	*	*			cis	97.2	104.1	38.9	171.9	0	0	0	0	114.2
392	R	37.2	Very low	34.4	Very low	238 Å²	238	143.4 Å²	143.4	90%	0.898	78%	0.777	S	S	*	*			trans	165.8	126	146	-93.4	166.1	-177.2	-165.6	-0.2	107.7
393	Q	36.7	Very low	34.7	Very low	157 Å²	157	144.5 Å²	144.5	73%	0.734	77%	0.774	S	S	*	*			cis	105.8	116.6	26.6	-88.7	-164	-38.5	0	0	114.2
394	I	34.3	Very low	34.9	Very low	161 Å²	161	143.5 Å²	143.5	83%	0.826	78%	0.778	S	S	*	*			trans	69.5	138.6	148.2	-53.9	162.9	0	0	0	115.9
395	G	32.9	Very low	34.8	Very low	67 Å²	67	140.4 Å²	140.4	69%	0.691	78%	0.776	S	S	*	*			cis	-173.4	-167.2	2.3	0	0	0	0	0	114.1
396	T	31.5	Very low	34.6	Very low	135 Å²	135	140.3 Å²	140.3	83%	0.828	78%	0.776	S	S	*	*			trans	-49.6	168.1	-177.7	48.6	0	0	0	0	117
397	E	33.4	Very low	34.6	Very low	168 Å²	168	135.3 Å²	135.3	79%	0.785	77%	0.773	S	S	*	*			cis	-160.5	166.9	45.6	-68.1	-179.1	123.9	0	0	115.6
398	T	34.3	Very low	34.4	Very low	115 Å²	115	134.6 Å²	134.6	71%	0.706	77%	0.768	S	S	*	*			trans	50.2	133.4	152.6	50.3	0	0	0	0	122.7
399	I	36.8	Very low	34	Very low	154 Å²	154	136.7 Å²	136.7	79%	0.79	77%	0.772	S	S	*	*			cis	78.5	138.5	45.9	-64	169.7	0	0	0	112.2
400	P	38.5	Very low	33.8	Very low	113 Å²	113	137.6 Å²	137.6	73%	0.734	77%	0.768	S	S	*	*			cis	-132.9	-175.7	16.2	30.4	-5.9	0	0	0	119.2
401	T	32.1	Very low	33.1	Very low	120 Å²	120	137.5 Å²	137.5	74%	0.736	77%	0.765	S	S	*	*			trans	-34.5	160.5	169.9	57.2	0	0	0	0	122.4
402	D	34.4	Very low	32.8	Very low	155 Å²	155	138.4 Å²	138.4	83%	0.829	77%	0.77	S	S	*	*				-155.4	169.6	111.2	-127.7	-29.2	0	0	0	115.4
403	N	36.3	Very low	32.2	Very low	136 Å²	136	132.9 Å²	132.9	73%	0.727	76%	0.764	S	S	*	*			trans	-95.9	170.4	-167.5	-71.5	-73.6	0	0	0	116.5
404	V	36.3	Very low	31.8	Very low	130 Å²	130	132 Å²	132	79%	0.788	77%	0.769	S	S	*	*				-171	122.8	116.9	161.6	0	0	0	0	112.4
405	N	32.3	Very low	31.3	Very low	137 Å²	137	130.2 Å²	130.2	73%	0.733	77%	0.765	S	S	*	*			trans	16.1	143.2	147.7	-46	-20.6	0	0	0	122
406	T	28.5	Very low	31	Very low	120 Å²	120	132.2 Å²	132.2	74%	0.736	76%	0.764	S	S	*	*			cis	96.1	104.8	20.9	-58.2	0	0	0	0	117.1	V408	T406-V408 HydrophobicContact CG2-CG2 4.46Å
407	T	33.9	Very low	30.7	Very low	136 Å²	136	132.8 Å²	132.8	83%	0.834	76%	0.757	S	S	*	*			trans	-177.1	132	146.5	27.5	0	0	0	0	107.5
408	V	27.2	Very low	30.4	Very low	110 Å²	110	132.7 Å²	132.7	67%	0.667	75%	0.754	S	S	*	*			cis	85.7	109.5	18.3	-170.3	0	0	0	0	116.1	T406	T406-V408 HydrophobicContact CG2-CG2 4.46Å
409	L	30.3	Very low	30	Very low	167 Å²	167	132.4 Å²	132.4	87%	0.874	76%	0.757	S	S	*	*			trans	-178.5	101.2	153.3	-98.6	167.7	0	0	0	106.3
410	N	28	Very low	29.7	Very low	127 Å²	127	129.7 Å²	129.7	68%	0.679	75%	0.749	S	S	*	*				52.5	100.6	69.9	-73	-0.9	0	0	0	113.7
411	V	25.4	Very low	29.1	Very low	120 Å²	120	131.9 Å²	131.9	73%	0.727	75%	0.75	S	S	*	*				81.8	118.6	81.2	165.3	0	0	0	0	113.1
412	T	29	Very low	28.7	Very low	140 Å²	140	133.7 Å²	133.7	86%	0.859	75%	0.75	S	S	*	*			trans	-150	131.9	145.4	-58.8	0	0	0	0	109
413	T	24.9	Very low	28.3	Very low	123 Å²	123	136.7 Å²	136.7	76%	0.755	75%	0.749	S	S	*	*			trans	-98.8	141.3	178.3	48.8	0	0	0	0	111.3
414	V	27.3	Very low	27.8	Very low	138 Å²	138	136 Å²	136	84%	0.836	75%	0.75	S	S	*	*			trans	-138.1	130.4	147.9	-158.7	0	0	0	0	109
415	T	24.4	Very low	27.2	Very low	124 Å²	124	138.7 Å²	138.7	76%	0.761	75%	0.751	S	S	*	*			trans	-76.8	174	170.4	38.4	0	0	0	0	110
416	V	25.5	Very low	26.9	Very low	108 Å²	108	136.5 Å²	136.5	66%	0.655	75%	0.746	S	S	*	*				176	122.3	79.4	158.7	0	0	0	0	107.5
417	E	26.4	Very low	26.9	Very low	148 Å²	148	135.5 Å²	135.5	69%	0.692	75%	0.75	S	S	*	*			trans	60.9	156.7	152.3	-61.1	-174.9	168.4	0	0	120.2
418	K	27.6	Very low	26.7	Very low	165 Å²	165	135.8 Å²	135.8	72%	0.717	75%	0.747	S	S	*	*			cis	-150.1	154.3	-13.4	-119.6	160.9	-166.3	151.2	0	109.7
419	S	24.1	Very low	26.8	Very low	110 Å²	110	135.7 Å²	135.7	77%	0.769	75%	0.749	S	S	*	*			trans	-82.3	-174	168.6	-40.2	0	0	0	0	110.4
420	P	30.8	Very low	26.8	Very low	96 Å²	96	138.1 Å²	138.1	62%	0.623	75%	0.746	S	S	*	*			cis	-137.9	-158.2	0.3	40.3	-18.9	0	0	0	113.8
421	E	26.6	Very low	26.9	Very low	160 Å²	160	136.2 Å²	136.2	75%	0.748	74%	0.742	S	S	*	*			trans	70.5	148.7	154.2	-74.3	167.8	-150.3	0	0	118.5
422	Q	24.7	Very low	27	Very low	158 Å²	158	136 Å²	136	74%	0.738	75%	0.746	S	S	*	*			cis	-162.5	170.6	-23.7	-127.2	-177.4	52.5	0	0	109.1
423	R	25.7	Very low	26.9	Very low	217 Å²	217	137.9 Å²	137.9	82%	0.819	74%	0.739	S	S	*	*			trans	73.3	85.1	148.2	-156.7	172.1	-166.6	165.8	3.1	121.3
424	V	24.3	Very low	26.9	Very low	121 Å²	121	138.2 Å²	138.2	73%	0.733	74%	0.743	S	S	*	*				72.5	122.8	116.1	169.2	0	0	0	0	121.5
425	K	25.4	Very low	27.3	Very low	187 Å²	187	135.5 Å²	135.5	81%	0.813	72%	0.721	S	S	*	*			trans	85.4	96.6	148.1	-83.4	171.6	-173.5	-173.5	0	123.5
426	S	25.6	Very low	27.9	Very low	91 Å²	91	138.2 Å²	138.2	64%	0.636	72%	0.718	S	S	*	*				78	141.8	104.8	70.5	0	0	0	0	124.8
427	A	27.9	Very low	28.5	Very low	99 Å²	99	143.6 Å²	143.6	82%	0.818	73%	0.726	S	S	*	*			trans	101.1	123.1	145.1	0	0	0	0	0	119.3
428	D	29.5	Very low	29.7	Very low	143 Å²	143	139.9 Å²	139.9	77%	0.765	71%	0.706	S	S	*	*			trans	-153.5	132.1	165.4	-166.6	13.1	0	0	0	108.8
429	P	30.8	Very low	30.5	Very low	108 Å²	108	137.2 Å²	137.2	70%	0.701	70%	0.699	S	S	*	*			trans	-119.3	149	-170.1	39.4	-29.5	0	0	0	115.7
430	R	29.6	Very low	31.5	Very low	218 Å²	218	138.3 Å²	138.3	82%	0.823	71%	0.707	S	S	*	*			trans	-175.2	112.1	150.4	-104.8	152.5	-170.3	175.3	6.4	114
431	S	29.5	Very low	32.4	Very low	86 Å²	86	141.7 Å²	141.7	60%	0.601	72%	0.715	S	S	*	*			trans	-150.7	126	152.6	-171.3	0	0	0	0	107.4
432	S	27.5	Very low	33.8	Very low	116 Å²	116	135.9 Å²	135.9	81%	0.811	69%	0.688	S	S	*	*			trans	-129.5	76.8	-166.5	178.9	0	0	0	0	112.6
433	Y	26.8	Very low	36	Very low	180 Å²	180	135.1 Å²	135.1	71%	0.706	68%	0.682	S	S	*	*	S	Bend	trans	-90.2	150.7	143.3	-69.9	-78.6	0	0	0	108.5	Q435	Y433-Q435 PolarHBondContact O-N 3.23Å
434	P	26.1	Very low	38.6	Very low	130 Å²	130	127.1 Å²	127.1	84%	0.844	65%	0.652	S	S	*	*			trans	-76.9	65.1	179.7	33.2	-36.4	0	0	0	111.7
435	Q	35.1	Very low	41.4	Very low	80 Å²	80	121.3 Å²	121.3	37%	0.374	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-60.8	144.7	148.4	-77	173.9	-81.2	0	0	107.2	Y433 R437 A492 L495	Y433-Q435 PolarHBondContact O-N 3.23Å; Q435-R437 PolarHBondContact O-N 3.06Å; Q435-A492 PolarHBondContact NE2-O 2.83Å; Q435-L495 PolarHBondContact NE2-O 2.78Å
436	R	37.5	Very low	44.1	Very low	181 Å²	181	113.9 Å²	113.9	68%	0.683	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-53.3	143.7	170.8	-65.7	-175.8	-165.2	168.4	4.5	108	W438	R436-W438 PolarHBondContact O-N 3.08Å
437	R	38.3	Very low	46.7	Very low	221 Å²	221	109.6 Å²	109.6	83%	0.834	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-58.1	118	168.4	-79.3	-176.3	173.4	176	-2.3	107.5	Q435 D439	Q435-R437 PolarHBondContact O-N 3.06Å; R437-D439 PolarHBondContact O-N 2.86Å; R437-D439 VanDerWaalsContact O-N 3.14Å
438	W	50.4	Low	48.9	Very low	70 Å²	70	107.5 Å²	107.5	27%	0.265	53%	0.532	S	S	.	.			trans	-68.4	103	164.4	-67.4	-75.3	0	0	0	107.6	R436 E442 W478 A492 L495	R436-W438 PolarHBondContact O-N 3.08Å; W438-E442 WeakPolarHBondContact CA-OE2 3.46Å; W438-E442 VanDerWaalsContact CD1-OE2 3.3Å; W438-W478 AromaticContact CD2-CH2 3.43Å; W438-W478 HydrophobicContact CD2-CH2 3.43Å; W438-W478 VanDerWaalsContact CD2-CH2 3.43Å; W438-W478 HydrophobicContact CD2-CZ2 4.38Å; W438-W478 HydrophobicContact CD2-CZ3 4.06Å; W438-W478 AromaticContact CE2-CH2 3.66Å; W438-W478 AromaticContact CE2-CZ3 3.83Å; W438-W478 AromaticContact CE3-CH2 3.35Å; W438-W478 HydrophobicContact CE3-CH2 3.35Å; W438-W478 AromaticContact CE3-CZ2 3.85Å; W438-W478 HydrophobicContact CE3-CZ2 3.85Å; W438-W478 HydrophobicContact CE3-CZ3 4.32Å; W438-W478 HydrophobicContact CG-CH2 4.04Å; W438-W478 AromaticContact CH2-CH2 3.66Å; W438-W478 HydrophobicContact CH2-CH2 3.66Å; W438-W478 HydrophobicContact CH2-CZ2 4.04Å; W438-W478 HydrophobicContact CH2-CZ3 4.1Å; W438-W478 AromaticContact CZ2-CH2 3.78Å; W438-W478 HydrophobicContact CZ2-CH2 3.78Å; W438-W478 AromaticContact CZ2-CZ3 3.86Å; W438-W478 HydrophobicContact CZ2-CZ3 3.86Å; W438-W478 AromaticContact CZ3-CH2 3.46Å; W438-W478 HydrophobicContact CZ3-CH2 3.46Å; W438-W478 VanDerWaalsContact CZ3-CH2 3.46Å; W438-W478 AromaticContact CZ3-CZ2 3.67Å; W438-W478 HydrophobicContact CZ3-CZ2 3.67Å; W438-W478 HydrophobicContact CZ3-CZ3 4.34Å; W438-A492 HydrophobicContact CH2-CB 4.17Å; W438-L495 HydrophobicContact CZ2-CB 4.41Å
439	D	44.8	Very low	50.8	Low	109 Å²	109	101 Å²	101	58%	0.583	50%	0.497	S	S	*	.			trans	-69.9	147.6	173.8	-75.6	-33.4	0	0	0	109.4	R437 E441 E442	R437-D439 PolarHBondContact O-N 2.86Å; R437-D439 VanDerWaalsContact O-N 3.14Å; D439-E441 PolarHBondContact O-N 2.92Å; D439-E442 WeakPolarHBondContact O-CB 3.19Å; D439-E442 PolarHBondContact O-N 2.8Å
440	S	44.5	Very low	52.8	Low	133 Å²	133	98.6 Å²	98.6	93%	0.93	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	4	-165.1	59	0	0	0	0	116.1
441	E	50.4	Low	55.1	Low	168 Å²	168	88.6 Å²	88.6	79%	0.785	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-15.5	172.8	-56.2	-164	164.4	0	0	113	D439 K443	D439-E441 PolarHBondContact O-N 2.92Å; E441-K443 VanDerWaalsContact C-N 3.35Å; E441-K443 PolarHBondContact O-N 2.91Å
442	E	55.9	Low	57.5	Low	38 Å²	38	89.1 Å²	89.1	18%	0.178	44%	0.44	C	S	.	.			trans	-72.3	84.5	178.9	-66.1	-176.5	168.1	0	0	110.7	W438 D439 W444 A497 N499	W438-E442 WeakPolarHBondContact CA-OE2 3.46Å; W438-E442 VanDerWaalsContact CD1-OE2 3.3Å; D439-E442 WeakPolarHBondContact O-CB 3.19Å; D439-E442 PolarHBondContact O-N 2.8Å; E442-W444 PolarHBondContact O-N 3.17Å; E442-A497 WeakPolarHBondContact OE2-CB 3.46Å; E442-N499 PolarHBondContact OE1-ND2 3.03Å
443	K	71.5	Confident	59.8	Low	141 Å²	141	84.7 Å²	84.7	61%	0.613	41%	0.413	S	S	*	.			trans	-76.3	-4.2	176.6	-70.9	-171.1	177.2	-176.3	0	114.6	E441 Q468 I469	E441-K443 VanDerWaalsContact C-N 3.35Å; E441-K443 PolarHBondContact O-N 2.91Å; K443-Q468 CarbonylContact O-C 3.54Å; K443-Q468 WeakPolarHBondContact O-CA 3.39Å; K443-Q468 WeakPolarHBondContact O-CG 3.16Å; K443-I469 PolarHBondContact O-N 3.22Å
444	W	80	Confident	61.6	Low	49 Å²	49	80.2 Å²	80.2	19%	0.186	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146.2	-172.4	-59.4	99.7	0	0	0	111.4	E442 V466 L467 Q468 Y498 P502	E442-W444 PolarHBondContact O-N 3.17Å; W444-V466 HydrophobicContact CE3-CG1 3.92Å; W444-L467 WeakPolarHBondContact CA-O 3.33Å; W444-Q468 HydrophobicContact CD2-CB 4.38Å; W444-Q468 HydrophobicContact CE3-CB 3.79Å; W444-Q468 HydrophobicContact CE3-CG 4.43Å; W444-Q468 HydrophobicContact CH2-CB 4.1Å; W444-Q468 HydrophobicContact CZ3-CB 3.65Å; W444-Q468 HydrophobicContact CZ3-CG 4.42Å; W444-Y498 HydrophobicContact CB-CD1 3.94Å; W444-Y498 PolarHBondContact O-N 2.83Å; W444-P502 HydrophobicContact CD2-CG 4.43Å; W444-P502 HydrophobicContact CH2-CG 4.14Å; W444-P502 HydrophobicContact CZ2-CG 3.87Å
445	C	83.1	Confident	63.9	Low	0 Å²	0	79.4 Å²	79.4	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	150.5	176.6	60.7	0	0	0	0	111.2	L467 I469 L495 K496	C445-L467 PolarHBondContact N-O 2.99Å; C445-L467 PolarHBondContact O-N 3.2Å; C445-L467 PolarHBondContact SG-O 2.92Å; C445-L467 VanDerWaalsContact SG-O 3.42Å; C445-I469 HydrophobicContact CB-CD1 4.11Å; C445-I469 HydrophobicContact CB-CG1 4.22Å; C445-L495 HydrophobicContact CB-CB 4.12Å; C445-K496 CarbonylContact C-O 3.53Å; C445-K496 WeakPolarHBondContact CA-O 3.27Å; C445-K496 WeakPolarHBondContact CB-O 3.4Å
446	V	82.3	Confident	65.7	Low	30 Å²	30	82.5 Å²	82.5	18%	0.182	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.5	177.4	64.8	0	0	0	0	110.8	N448 D465 V466 L495 K496 Y498	V446-N448 PolarHBondContact O-ND2 3.42Å; V446-D465 WeakPolarHBondContact CA-O 3.27Å; V446-V466 HydrophobicContact CG2-CG2 4.38Å; V446-L495 WeakPolarHBondContact O-CA 3.4Å; V446-K496 HydrophobicContact CG1-CB 4.02Å; V446-K496 PolarHBondContact N-O 2.96Å; V446-K496 PolarHBondContact O-N 2.99Å; V446-Y498 HydrophobicContact CB-CD2 3.96Å; V446-Y498 HydrophobicContact CB-CG 4.39Å; V446-Y498 HydrophobicContact CG1-CD2 4.31Å
447	V	80.2	Confident	67.7	Low	1 Å²	1	79.9 Å²	79.9	1%	0.006	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	129.3	-179.8	177.1	0	0	0	0	109.8	V449 V461 Q462 P463 G464 D465 L467 L495	V447-V449 WeakPolarHBondContact CG1-O 3.18Å; V447-V461 HydrophobicContact CG1-CB 4.42Å; V447-V461 HydrophobicContact CG1-CG2 3.96Å; V447-V461 HydrophobicContact CG2-CB 4.05Å; V447-V461 HydrophobicContact CG2-CG2 3.77Å; V447-Q462 VanDerWaalsContact CB-O 3.23Å; V447-Q462 WeakPolarHBondContact CB-O 3.09Å; V447-Q462 WeakPolarHBondContact CG1-O 3.5Å; V447-P463 CarbonylContact O-C 3.57Å; V447-P463 WeakPolarHBondContact O-CA 3.42Å; V447-G464 PolarHBondContact O-N 3.21Å; V447-D465 HydrophobicContact CB-CB 4.2Å; V447-D465 HydrophobicContact CG2-CB 4.07Å; V447-D465 WeakPolarHBondContact CG2-O 3.34Å; V447-D465 PolarHBondContact N-O 3.45Å; V447-L467 HydrophobicContact CG2-CD1 3.33Å; V447-L467 HydrophobicContact CG2-CG 3.84Å; V447-L495 HydrophobicContact CG2-CD2 4.1Å
448	N	72.8	Confident	69.9	Low	55 Å²	55	70.2 Å²	70.2	29%	0.294	38%	0.383	S	S	.	.	S	Bend	trans	-104	-17.7	-177.7	-74.4	-110	0	0	0	118.1	V446 K494 K496 R702	V446-N448 PolarHBondContact O-ND2 3.42Å; N448-K494 PolarHBondContact N-O 2.83Å; N448-K494 VanDerWaalsContact N-O 3.07Å; N448-K496 WeakPolarHBondContact ND2-CG 3.46Å; N448-K496 PolarHBondContact ND2-N 2.86Å; N448-K496 VanDerWaalsContact OD1-CD 3.25Å; N448-K496 WeakPolarHBondContact OD1-CD 3.19Å; N448-K496 WeakPolarHBondContact OD1-CE 3.21Å; N448-K496 PolarHBondContact OD1-NZ 2.88Å; N448-R702 PolarHBondContact O-NE 3.45Å
449	V	70.6	Confident	71.4	Confident	8 Å²	8	67.4 Å²	67.4	5%	0.048	37%	0.373	C	S	.	.	S	Bend	cis	141.3	6.6	-10.8	-89.5	0	0	0	0	115	V447 H451 W493 K494 R702 E706	V447-V449 WeakPolarHBondContact CG1-O 3.18Å; V449-H451 PolarHBondContact O-N 2.95Å; V449-W493 HydrophobicContact CG1-CH2 3.62Å; V449-W493 HydrophobicContact CG1-CZ2 4.5Å; V449-W493 HydrophobicContact CG1-CZ3 3.98Å; V449-W493 HydrophobicContact CG2-CZ3 4.12Å; V449-K494 HydrophobicContact CB-CB 3.65Å; V449-K494 HydrophobicContact CB-CD 4.05Å; V449-K494 HydrophobicContact CB-CG 3.88Å; V449-K494 WeakPolarHBondContact CB-O 3.34Å; V449-K494 HydrophobicContact CG1-CB 4.11Å; V449-K494 HydrophobicContact CG1-CD 3.63Å; V449-K494 HydrophobicContact CG1-CG 3.73Å; V449-K494 HydrophobicContact CG2-CB 4.2Å; V449-K494 VanDerWaalsContact CG2-O 3.3Å; V449-K494 WeakPolarHBondContact CG2-O 3.39Å; V449-K494 WeakPolarHBondContact O-CD 3.45Å; V449-R702 HydrophobicContact CG1-CG 3.82Å; V449-R702 HydrophobicContact CG2-CG 4.37Å; V449-E706 WeakPolarHBondContact CG1-OE1 3.32Å
450	L	71.2	Confident	73.3	Confident	57 Å²	57	65.6 Å²	65.6	30%	0.298	37%	0.366	S	S	.	.			trans	-35.9	117.9	176.6	174.8	55.3	0	0	0	111.3	V452 V461 P463 K494 R702	L450-V452 HydrophobicContact CD1-CG2 4.1Å; L450-V452 HydrophobicContact CG-CG2 4.45Å; L450-V461 CarbonylContact C-O 3.41Å; L450-V461 WeakPolarHBondContact CA-O 3.46Å; L450-V461 WeakPolarHBondContact CD1-O 3.46Å; L450-P463 HydrophobicContact CB-CG 4.04Å; L450-K494 PolarHBondContact O-NZ 3.39Å; L450-R702 PolarHBondContact O-NH2 3.34Å
451	H	77.8	Confident	75	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.037	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-123.1	130.5	175.5	-168.5	35.1	0	0	0	107.9	V449 E458 L459 T460 V461 W477 E489 V490 K494	V449-H451 PolarHBondContact O-N 2.95Å; H451-E458 IonicContact CE1-OE2 3.65Å; H451-E458 PolarHBondContact CE1-OE2 3.46Å; H451-E458 WeakPolarHBondContact NE2-CB 3.37Å; H451-E458 WeakPolarHBondContact NE2-CG 3.37Å; H451-E458 IonicContact NE2-OE2 3.76Å; H451-E458 PolarHBondContact NE2-OE2 3.1Å; H451-E458 VanDerWaalsContact NE2-OE2 3.15Å; H451-L459 PolarHBondContact CD2-O 3.17Å; H451-T460 CarbonylContact O-C 3.55Å; H451-T460 WeakPolarHBondContact O-CA 3.49Å; H451-V461 HydrophobicContact CB-CG2 3.77Å; H451-V461 PolarHBondContact N-O 3.23Å; H451-V461 PolarHBondContact O-N 3.31Å; H451-W477 AromaticContact CE1-CH2 3.6Å; H451-W477 AromaticContact CE1-CZ3 3.69Å; H451-W477 AromaticContact NE2-CZ3 3.32Å; H451-W477 VanDerWaalsContact NE2-CZ3 3.32Å; H451-W477 WeakPolarHBondContact NE2-CZ3 3.44Å; H451-E489 PolarHBondContact NE2-O 2.96Å; H451-V490 HydrophobicContact CB-CG1 4.31Å; H451-K494 HydrophobicContact CB-CD 3.68Å; H451-K494 PolarHBondContact ND1-NZ 2.91Å; H451-K494 VanDerWaalsContact ND1-NZ 3.2Å
452	V	80.4	Confident	76.1	Confident	97 Å²	97	56.2 Å²	56.2	59%	0.588	31%	0.308	S	S	*	.			trans	-115.8	116.3	172.3	-178.5	0	0	0	0	104.9	L450 A454	L450-V452 HydrophobicContact CD1-CG2 4.1Å; L450-V452 HydrophobicContact CG-CG2 4.45Å; V452-A454 PolarHBondContact O-N 3.25Å
453	G	76.1	Confident	77.2	Confident	23 Å²	23	57.5 Å²	57.5	24%	0.237	32%	0.319	C	S	.	.			trans	-63.8	118.5	-174	0	0	0	0	0	111	T460	G453-T460 PolarHBondContact N-OG1 2.98Å
454	A	64.9	Low	77.1	Confident	86 Å²	86	53.2 Å²	53.2	71%	0.711	32%	0.315	S	S	*	.	S	Bend	trans	-87.6	-10.4	179.9	0	0	0	0	0	112.9	V452 E458	V452-A454 PolarHBondContact O-N 3.25Å; A454-E458 PolarHBondContact N-OE2 3.06Å
455	K	74.1	Confident	77	Confident	113 Å²	113	53.4 Å²	53.4	49%	0.491	32%	0.32	S	S	.	.	S	Bend	trans	-132.9	156.9	178.5	-52.5	-175.5	-155.9	85.9	0	109.7	Q457 E458	K455-Q457 PolarHBondContact O-N 3.04Å; K455-E458 HydrophobicContact CB-CG 4.17Å; K455-E458 WeakPolarHBondContact CG-OE1 3.5Å; K455-E458 IonicContact NZ-OE1 3.18Å; K455-E458 PolarHBondContact NZ-OE1 3.37Å; K455-E458 PolarHBondContact O-N 3.42Å
456	P	73.3	Confident	77	Confident	145 Å²	145	55.2 Å²	55.2	94%	0.942	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-3.5	175	-22.3	33.9	0	0	0	115.7
457	Q	79.9	Confident	77	Confident	125 Å²	125	53.9 Å²	53.9	58%	0.584	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-6.5	176.5	-68.5	172.8	-9.2	0	0	112.3	K455 G488 E489	K455-Q457 PolarHBondContact O-N 3.04Å; Q457-G488 CarbonylContact O-C 3.46Å; Q457-G488 WeakPolarHBondContact O-CA 3.11Å; Q457-E489 WeakPolarHBondContact O-CB 3.44Å; Q457-E489 PolarHBondContact O-N 3.09Å
458	E	84.4	Confident	77.2	Confident	19 Å²	19	56.8 Å²	56.8	9%	0.089	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-104	135.1	-174.5	-63.5	178.2	-158.3	0	0	111.4	H451 A454 K455 W477 E489	H451-E458 IonicContact CE1-OE2 3.65Å; H451-E458 PolarHBondContact CE1-OE2 3.46Å; H451-E458 WeakPolarHBondContact NE2-CB 3.37Å; H451-E458 WeakPolarHBondContact NE2-CG 3.37Å; H451-E458 IonicContact NE2-OE2 3.76Å; H451-E458 PolarHBondContact NE2-OE2 3.1Å; H451-E458 VanDerWaalsContact NE2-OE2 3.15Å; A454-E458 PolarHBondContact N-OE2 3.06Å; K455-E458 HydrophobicContact CB-CG 4.17Å; K455-E458 WeakPolarHBondContact CG-OE1 3.5Å; K455-E458 IonicContact NZ-OE1 3.18Å; K455-E458 PolarHBondContact NZ-OE1 3.37Å; K455-E458 PolarHBondContact O-N 3.42Å; E458-W477 VanDerWaalsContact CD-CZ3 3.46Å; E458-W477 HydrophobicContact CG-CE3 4.37Å; E458-W477 HydrophobicContact CG-CH2 4.28Å; E458-W477 HydrophobicContact CG-CZ3 3.63Å; E458-E489 VanDerWaalsContact CA-O 3.29Å; E458-E489 WeakPolarHBondContact CA-O 3.33Å
459	L	82	Confident	77.9	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.052	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-83.7	137	-179.4	-160.6	64.1	0	0	0	111.2	H451 V461 L467 N482 E486 E489 V490	H451-L459 PolarHBondContact CD2-O 3.17Å; L459-V461 HydrophobicContact CB-CG1 4.36Å; L459-V461 HydrophobicContact CD2-CG1 3.69Å; L459-V461 HydrophobicContact CG-CG1 3.74Å; L459-L467 HydrophobicContact CD2-CD1 4.47Å; L459-L467 HydrophobicContact CD2-CD2 4.31Å; L459-N482 HydrophobicContact CD2-CB 4.28Å; L459-E486 HydrophobicContact CD1-CB 3.62Å; L459-E486 WeakPolarHBondContact CD1-O 3.3Å; L459-E489 PolarHBondContact N-O 2.98Å; L459-V490 HydrophobicContact CB-CG2 3.73Å; L459-V490 HydrophobicContact CD2-CG2 4.47Å
460	T	84.6	Confident	78.5	Confident	71 Å²	71	58.7 Å²	58.7	44%	0.436	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-92.9	120.7	173	-65.3	0	0	0	0	109.6	H451 G453	H451-T460 CarbonylContact O-C 3.55Å; H451-T460 WeakPolarHBondContact O-CA 3.49Å; G453-T460 PolarHBondContact N-OG1 2.98Å
461	V	78.7	Confident	78.9	Confident	1 Å²	1	59 Å²	59	1%	0.006	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-146.6	140.3	-169.6	-67.5	0	0	0	0	112.3	V447 L450 H451 L459 D465 L467 V490	V447-V461 HydrophobicContact CG1-CB 4.42Å; V447-V461 HydrophobicContact CG1-CG2 3.96Å; V447-V461 HydrophobicContact CG2-CB 4.05Å; V447-V461 HydrophobicContact CG2-CG2 3.77Å; L450-V461 CarbonylContact C-O 3.41Å; L450-V461 WeakPolarHBondContact CA-O 3.46Å; L450-V461 WeakPolarHBondContact CD1-O 3.46Å; H451-V461 HydrophobicContact CB-CG2 3.77Å; H451-V461 PolarHBondContact N-O 3.23Å; H451-V461 PolarHBondContact O-N 3.31Å; L459-V461 HydrophobicContact CB-CG1 4.36Å; L459-V461 HydrophobicContact CD2-CG1 3.69Å; L459-V461 HydrophobicContact CG-CG1 3.74Å; V461-D465 VanDerWaalsContact CA-OD2 3.22Å; V461-D465 WeakPolarHBondContact CA-OD2 3.13Å; V461-D465 HydrophobicContact CB-CB 4.29Å; V461-D465 WeakPolarHBondContact CB-OD2 3.24Å; V461-L467 HydrophobicContact CB-CD1 4.31Å; V461-L467 HydrophobicContact CG1-CD1 3.87Å; V461-L467 HydrophobicContact CG1-CD2 3.78Å; V461-L467 HydrophobicContact CG1-CG 4.46Å; V461-L467 HydrophobicContact CG2-CD1 4.2Å; V461-V490 HydrophobicContact CG2-CG1 4.3Å; V461-V490 HydrophobicContact CG2-CG2 4.21Å
462	Q	74.7	Confident	79.2	Confident	104 Å²	104	61.9 Å²	61.9	49%	0.486	37%	0.365	S	S	.	.			trans	-90.6	160.2	-178	-60.6	-65	-23.9	0	0	112.6	V447 G464 D465	V447-Q462 VanDerWaalsContact CB-O 3.23Å; V447-Q462 WeakPolarHBondContact CB-O 3.09Å; V447-Q462 WeakPolarHBondContact CG1-O 3.5Å; Q462-G464 PolarHBondContact O-N 2.92Å; Q462-D465 WeakPolarHBondContact CB-OD1 3.24Å; Q462-D465 VanDerWaalsContact N-CG 3.31Å; Q462-D465 PolarHBondContact N-OD2 2.9Å; Q462-D465 WeakPolarHBondContact O-CB 3.31Å; Q462-D465 PolarHBondContact O-N 2.73Å
463	P	78	Confident	78.5	Confident	65 Å²	65	60.6 Å²	60.6	42%	0.422	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	125.3	168.8	-13.8	30.2	0	0	0	110	V447 L450	V447-P463 CarbonylContact O-C 3.57Å; V447-P463 WeakPolarHBondContact O-CA 3.42Å; L450-P463 HydrophobicContact CB-CG 4.04Å
464	G	70.6	Confident	77.8	Confident	51 Å²	51	65 Å²	65	53%	0.526	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	107	-19.9	-172.8	0	0	0	0	0	113.9	V447 Q462 V466	V447-G464 PolarHBondContact O-N 3.21Å; Q462-G464 PolarHBondContact O-N 2.92Å; G464-V466 PolarHBondContact O-N 2.99Å
465	D	76.5	Confident	77.9	Confident	53 Å²	53	63.1 Å²	63.1	28%	0.283	36%	0.363	S	S	.	.			trans	-62	128.7	179.6	-68.6	6.6	0	0	0	111	V446 V447 V461 Q462 L467	V446-D465 WeakPolarHBondContact CA-O 3.27Å; V447-D465 HydrophobicContact CB-CB 4.2Å; V447-D465 HydrophobicContact CG2-CB 4.07Å; V447-D465 WeakPolarHBondContact CG2-O 3.34Å; V447-D465 PolarHBondContact N-O 3.45Å; V461-D465 VanDerWaalsContact CA-OD2 3.22Å; V461-D465 WeakPolarHBondContact CA-OD2 3.13Å; V461-D465 HydrophobicContact CB-CB 4.29Å; V461-D465 WeakPolarHBondContact CB-OD2 3.24Å; Q462-D465 WeakPolarHBondContact CB-OD1 3.24Å; Q462-D465 VanDerWaalsContact N-CG 3.31Å; Q462-D465 PolarHBondContact N-OD2 2.9Å; Q462-D465 WeakPolarHBondContact O-CB 3.31Å; Q462-D465 PolarHBondContact O-N 2.73Å; D465-L467 HydrophobicContact CB-CD2 4.12Å
466	V	82.9	Confident	78.1	Confident	38 Å²	38	62.4 Å²	62.4	23%	0.23	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	120.6	174.5	176	0	0	0	0	108.6	W444 V446 G464 Y498	W444-V466 HydrophobicContact CE3-CG1 3.92Å; V446-V466 HydrophobicContact CG2-CG2 4.38Å; G464-V466 PolarHBondContact O-N 2.99Å; V466-Y498 HydrophobicContact CB-CD1 4.49Å; V466-Y498 HydrophobicContact CB-CE1 4.42Å; V466-Y498 HydrophobicContact CG1-CD1 3.47Å; V466-Y498 VanDerWaalsContact CG1-CD1 3.47Å; V466-Y498 HydrophobicContact CG1-CE1 3.59Å; V466-Y498 HydrophobicContact CG1-CG 4.01Å; V466-Y498 HydrophobicContact CG2-CD1 4.15Å; V466-Y498 HydrophobicContact CG2-CD2 3.9Å; V466-Y498 HydrophobicContact CG2-CE1 3.93Å; V466-Y498 HydrophobicContact CG2-CE2 3.68Å; V466-Y498 HydrophobicContact CG2-CG 4.12Å
467	L	84.2	Confident	78.6	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.9	-173.3	-48.6	177	0	0	0	110.6	W444 C445 V447 L459 V461 D465 L480 Q481 N482 V490	W444-L467 WeakPolarHBondContact CA-O 3.33Å; C445-L467 PolarHBondContact N-O 2.99Å; C445-L467 PolarHBondContact O-N 3.2Å; C445-L467 PolarHBondContact SG-O 2.92Å; C445-L467 VanDerWaalsContact SG-O 3.42Å; V447-L467 HydrophobicContact CG2-CD1 3.33Å; V447-L467 HydrophobicContact CG2-CG 3.84Å; L459-L467 HydrophobicContact CD2-CD1 4.47Å; L459-L467 HydrophobicContact CD2-CD2 4.31Å; V461-L467 HydrophobicContact CB-CD1 4.31Å; V461-L467 HydrophobicContact CG1-CD1 3.87Å; V461-L467 HydrophobicContact CG1-CD2 3.78Å; V461-L467 HydrophobicContact CG1-CG 4.46Å; V461-L467 HydrophobicContact CG2-CD1 4.2Å; D465-L467 HydrophobicContact CB-CD2 4.12Å; L467-L480 HydrophobicContact CB-CB 4.04Å; L467-L480 HydrophobicContact CB-CD1 4.05Å; L467-L480 HydrophobicContact CD1-CB 4.14Å; L467-L480 HydrophobicContact CD1-CD1 3.4Å; L467-L480 HydrophobicContact CD1-CG 4.43Å; L467-L480 HydrophobicContact CG-CD1 4.39Å; L467-Q481 CarbonylContact C-O 3.38Å; L467-Q481 VanDerWaalsContact CA-O 3.22Å; L467-Q481 WeakPolarHBondContact CA-O 3.49Å; L467-N482 HydrophobicContact CD2-CB 3.59Å; L467-V490 HydrophobicContact CD1-CG2 4.33Å
468	Q	84.4	Confident	79	Confident	62 Å²	62	54.5 Å²	54.5	29%	0.29	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	135	171.1	-168.6	170	95.1	0	0	110.2	K443 W444 L470 L480 Q481	K443-Q468 CarbonylContact O-C 3.54Å; K443-Q468 WeakPolarHBondContact O-CA 3.39Å; K443-Q468 WeakPolarHBondContact O-CG 3.16Å; W444-Q468 HydrophobicContact CD2-CB 4.38Å; W444-Q468 HydrophobicContact CE3-CB 3.79Å; W444-Q468 HydrophobicContact CE3-CG 4.43Å; W444-Q468 HydrophobicContact CH2-CB 4.1Å; W444-Q468 HydrophobicContact CZ3-CB 3.65Å; W444-Q468 HydrophobicContact CZ3-CG 4.42Å; Q468-L470 PolarHBondContact O-N 3.21Å; Q468-L480 CarbonylContact O-C 3.46Å; Q468-L480 WeakPolarHBondContact O-CA 3.3Å; Q468-Q481 HydrophobicContact CB-CB 4.36Å; Q468-Q481 PolarHBondContact N-O 3.44Å; Q468-Q481 PolarHBondContact O-N 2.95Å
469	I	87.1	Confident	79.2	Confident	30 Å²	30	56 Å²	56	15%	0.154	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	106.9	175.4	-57.8	173.1	0	0	0	108.7	K443 C445 T472 W478 L480	K443-I469 PolarHBondContact O-N 3.22Å; C445-I469 HydrophobicContact CB-CD1 4.11Å; C445-I469 HydrophobicContact CB-CG1 4.22Å; I469-T472 HydrophobicContact CG2-CG2 3.47Å; I469-T472 VanDerWaalsContact CG2-CG2 3.47Å; I469-W478 HydrophobicContact CD1-CE3 4.22Å; I469-W478 HydrophobicContact CD1-CZ3 3.72Å; I469-W478 HydrophobicContact CG1-CE3 4.44Å; I469-W478 HydrophobicContact CG1-CZ3 4.41Å; I469-W478 HydrophobicContact CG2-CE3 4.33Å; I469-L480 HydrophobicContact CB-CD2 4.15Å; I469-L480 HydrophobicContact CG1-CD2 3.83Å; I469-L480 HydrophobicContact CG2-CD2 4.27Å
470	L	82.8	Confident	79.5	Confident	73 Å²	73	55.6 Å²	55.6	38%	0.382	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-43.5	177.8	-64	-176.9	0	0	0	112.5	Q468 L479 Q481	Q468-L470 PolarHBondContact O-N 3.21Å; L470-L479 WeakPolarHBondContact CA-O 3.33Å; L470-L479 HydrophobicContact CB-CB 4.47Å; L470-L479 HydrophobicContact CB-CD2 4.11Å; L470-L479 HydrophobicContact CB-CG 4.16Å; L470-L479 WeakPolarHBondContact CB-O 3.42Å; L470-L479 HydrophobicContact CD1-CD2 4.23Å; L470-L479 HydrophobicContact CD1-CG 4.25Å; L470-L479 PolarHBondContact N-O 3.04Å; L470-Q481 HydrophobicContact CD1-CB 3.83Å; L470-Q481 HydrophobicContact CD1-CG 4.32Å; L470-Q481 HydrophobicContact CD2-CB 4.25Å; L470-Q481 HydrophobicContact CG-CB 3.94Å
471	N	80.5	Confident	79.5	Confident	63 Å²	63	55 Å²	55	34%	0.337	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	120.8	179.6	-172.7	16.9	0	0	0	113.5	S473 L479	N471-S473 PolarHBondContact ND2-OG 3.18Å; N471-S473 WeakPolarHBondContact OD1-CB 3.39Å; N471-S473 PolarHBondContact OD1-N 3.35Å; N471-S473 PolarHBondContact OD1-OG 2.74Å; N471-L479 HydrophobicContact CB-CB 4.01Å; N471-L479 HydrophobicContact CB-CD2 4.42Å; N471-L479 PolarHBondContact N-O 2.9Å; N471-L479 PolarHBondContact O-N 3.1Å
472	T	82.5	Confident	79.6	Confident	69 Å²	69	55.8 Å²	55.8	42%	0.423	31%	0.313	S	S	.	.			trans	-93	-1.1	175.3	58.2	0	0	0	0	113.7	I469 K474 W478	I469-T472 HydrophobicContact CG2-CG2 3.47Å; I469-T472 VanDerWaalsContact CG2-CG2 3.47Å; T472-K474 PolarHBondContact O-N 3.15Å; T472-W478 HydrophobicContact CG2-CD2 3.67Å; T472-W478 HydrophobicContact CG2-CE3 3.95Å; T472-W478 HydrophobicContact CG2-CG 4.16Å; T472-W478 HydrophobicContact CG2-CH2 3.93Å; T472-W478 HydrophobicContact CG2-CZ2 3.7Å; T472-W478 HydrophobicContact CG2-CZ3 4.09Å
473	S	67.3	Low	79.4	Confident	71 Å²	71	57 Å²	57	50%	0.497	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	6.5	-169.2	88.1	0	0	0	0	116.2	N471	N471-S473 PolarHBondContact ND2-OG 3.18Å; N471-S473 WeakPolarHBondContact OD1-CB 3.39Å; N471-S473 PolarHBondContact OD1-N 3.35Å; N471-S473 PolarHBondContact OD1-OG 2.74Å
474	K	59.7	Low	79	Confident	115 Å²	115	57.4 Å²	57.4	50%	0.5	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	29.2	-178.2	-80.6	-170.4	174.4	-172	0	112.9	T472 W477 E489	T472-K474 PolarHBondContact O-N 3.15Å; K474-W477 WeakPolarHBondContact CB-O 3.33Å; K474-E489 VanDerWaalsContact CD-OE1 3.28Å; K474-E489 WeakPolarHBondContact CD-OE1 3.33Å; K474-E489 WeakPolarHBondContact CE-OE1 3.32Å; K474-E489 IonicContact NZ-OE1 2.59Å; K474-E489 PolarHBondContact NZ-OE1 2.98Å; K474-E489 IonicContact NZ-OE2 3.98Å
475	G	67.2	Low	79.2	Confident	47 Å²	47	56.8 Å²	56.8	49%	0.485	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	-132.3	178.6	0	0	0	0	0	111.4	W477 W478	G475-W477 PolarHBondContact O-N 3.46Å; G475-W477 VanDerWaalsContact O-N 3.12Å; G475-W478 VanDerWaalsContact O-CD1 3.24Å; G475-W478 PolarHBondContact O-NE1 3.2Å
476	D	79	Confident	79.3	Confident	98 Å²	98	59.5 Å²	59.5	52%	0.524	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-4	-177.6	-74.8	-1.1	0	0	0	114.2	P491 A492	D476-P491 CarbonylContact O-C 3.59Å; D476-P491 WeakPolarHBondContact O-CA 3.24Å; D476-A492 PolarHBondContact O-N 2.97Å
477	W	83.2	Confident	79.4	Confident	79 Å²	79	61.2 Å²	61.2	30%	0.299	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.8	173.9	-69.2	79.9	0	0	0	110.2	H451 E458 K474 G475 E489 P491	H451-W477 AromaticContact CE1-CH2 3.6Å; H451-W477 AromaticContact CE1-CZ3 3.69Å; H451-W477 AromaticContact NE2-CZ3 3.32Å; H451-W477 VanDerWaalsContact NE2-CZ3 3.32Å; H451-W477 WeakPolarHBondContact NE2-CZ3 3.44Å; E458-W477 VanDerWaalsContact CD-CZ3 3.46Å; E458-W477 HydrophobicContact CG-CE3 4.37Å; E458-W477 HydrophobicContact CG-CH2 4.28Å; E458-W477 HydrophobicContact CG-CZ3 3.63Å; K474-W477 WeakPolarHBondContact CB-O 3.33Å; G475-W477 PolarHBondContact O-N 3.46Å; G475-W477 VanDerWaalsContact O-N 3.12Å; W477-E489 HydrophobicContact CE3-CB 4.07Å; W477-P491 HydrophobicContact CD2-CG 4.06Å; W477-P491 HydrophobicContact CE3-CG 3.82Å; W477-P491 HydrophobicContact CH2-CG 3.76Å; W477-P491 HydrophobicContact CZ2-CG 3.97Å; W477-P491 HydrophobicContact CZ3-CG 3.66Å
478	W	88.4	Confident	79.5	Confident	25 Å²	25	61.3 Å²	61.3	10%	0.095	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.7	-176.3	-71.7	5.6	0	0	0	110	W438 I469 T472 G475 L480 E489 V490 A492 L495	W438-W478 AromaticContact CD2-CH2 3.43Å; W438-W478 HydrophobicContact CD2-CH2 3.43Å; W438-W478 VanDerWaalsContact CD2-CH2 3.43Å; W438-W478 HydrophobicContact CD2-CZ2 4.38Å; W438-W478 HydrophobicContact CD2-CZ3 4.06Å; W438-W478 AromaticContact CE2-CH2 3.66Å; W438-W478 AromaticContact CE2-CZ3 3.83Å; W438-W478 AromaticContact CE3-CH2 3.35Å; W438-W478 HydrophobicContact CE3-CH2 3.35Å; W438-W478 AromaticContact CE3-CZ2 3.85Å; W438-W478 HydrophobicContact CE3-CZ2 3.85Å; W438-W478 HydrophobicContact CE3-CZ3 4.32Å; W438-W478 HydrophobicContact CG-CH2 4.04Å; W438-W478 AromaticContact CH2-CH2 3.66Å; W438-W478 HydrophobicContact CH2-CH2 3.66Å; W438-W478 HydrophobicContact CH2-CZ2 4.04Å; W438-W478 HydrophobicContact CH2-CZ3 4.1Å; W438-W478 AromaticContact CZ2-CH2 3.78Å; W438-W478 HydrophobicContact CZ2-CH2 3.78Å; W438-W478 AromaticContact CZ2-CZ3 3.86Å; W438-W478 HydrophobicContact CZ2-CZ3 3.86Å; W438-W478 AromaticContact CZ3-CH2 3.46Å; W438-W478 HydrophobicContact CZ3-CH2 3.46Å; W438-W478 VanDerWaalsContact CZ3-CH2 3.46Å; W438-W478 AromaticContact CZ3-CZ2 3.67Å; W438-W478 HydrophobicContact CZ3-CZ2 3.67Å; W438-W478 HydrophobicContact CZ3-CZ3 4.34Å; I469-W478 HydrophobicContact CD1-CE3 4.22Å; I469-W478 HydrophobicContact CD1-CZ3 3.72Å; I469-W478 HydrophobicContact CG1-CE3 4.44Å; I469-W478 HydrophobicContact CG1-CZ3 4.41Å; I469-W478 HydrophobicContact CG2-CE3 4.33Å; T472-W478 HydrophobicContact CG2-CD2 3.67Å; T472-W478 HydrophobicContact CG2-CE3 3.95Å; T472-W478 HydrophobicContact CG2-CG 4.16Å; T472-W478 HydrophobicContact CG2-CH2 3.93Å; T472-W478 HydrophobicContact CG2-CZ2 3.7Å; T472-W478 HydrophobicContact CG2-CZ3 4.09Å; G475-W478 VanDerWaalsContact O-CD1 3.24Å; G475-W478 PolarHBondContact O-NE1 3.2Å; W478-L480 HydrophobicContact CB-CD2 3.92Å; W478-L480 HydrophobicContact CB-CG 4.33Å; W478-L480 HydrophobicContact CE3-CD2 4.4Å; W478-L480 PolarHBondContact O-N 3.36Å; W478-E489 CarbonylContact O-C 3.58Å; W478-E489 VanDerWaalsContact O-CA 3.28Å; W478-E489 WeakPolarHBondContact O-CA 3.47Å; W478-V490 PolarHBondContact N-O 2.98Å; W478-V490 PolarHBondContact O-N 2.86Å; W478-A492 HydrophobicContact CD2-CB 3.69Å; W478-A492 HydrophobicContact CE3-CB 4.32Å; W478-A492 HydrophobicContact CG-CB 3.94Å; W478-A492 HydrophobicContact CZ2-CB 4.11Å; W478-L495 HydrophobicContact CD2-CD1 4.32Å; W478-L495 HydrophobicContact CE3-CD1 3.58Å; W478-L495 HydrophobicContact CZ3-CD1 4.21Å
479	L	88.1	Confident	79.6	Confident	51 Å²	51	59.6 Å²	59.6	27%	0.267	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	115.9	169.1	-173.3	72	0	0	0	107.7	L470 N471 E489	L470-L479 WeakPolarHBondContact CA-O 3.33Å; L470-L479 HydrophobicContact CB-CB 4.47Å; L470-L479 HydrophobicContact CB-CD2 4.11Å; L470-L479 HydrophobicContact CB-CG 4.16Å; L470-L479 WeakPolarHBondContact CB-O 3.42Å; L470-L479 HydrophobicContact CD1-CD2 4.23Å; L470-L479 HydrophobicContact CD1-CG 4.25Å; L470-L479 PolarHBondContact N-O 3.04Å; N471-L479 HydrophobicContact CB-CB 4.01Å; N471-L479 HydrophobicContact CB-CD2 4.42Å; N471-L479 PolarHBondContact N-O 2.9Å; N471-L479 PolarHBondContact O-N 3.1Å; L479-E489 HydrophobicContact CD1-CG 4.18Å
480	L	88.8	Confident	79.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	165.8	177.7	-52.2	-177.8	0	0	0	110	L467 Q468 I469 W478 S487 G488 V490 L495	L467-L480 HydrophobicContact CB-CB 4.04Å; L467-L480 HydrophobicContact CB-CD1 4.05Å; L467-L480 HydrophobicContact CD1-CB 4.14Å; L467-L480 HydrophobicContact CD1-CD1 3.4Å; L467-L480 HydrophobicContact CD1-CG 4.43Å; L467-L480 HydrophobicContact CG-CD1 4.39Å; Q468-L480 CarbonylContact O-C 3.46Å; Q468-L480 WeakPolarHBondContact O-CA 3.3Å; I469-L480 HydrophobicContact CB-CD2 4.15Å; I469-L480 HydrophobicContact CG1-CD2 3.83Å; I469-L480 HydrophobicContact CG2-CD2 4.27Å; W478-L480 HydrophobicContact CB-CD2 3.92Å; W478-L480 HydrophobicContact CB-CG 4.33Å; W478-L480 HydrophobicContact CE3-CD2 4.4Å; W478-L480 PolarHBondContact O-N 3.36Å; L480-S487 CarbonylContact O-C 3.56Å; L480-S487 VanDerWaalsContact O-CA 3.24Å; L480-S487 WeakPolarHBondContact O-CA 3.49Å; L480-G488 PolarHBondContact N-O 3.46Å; L480-G488 PolarHBondContact O-N 3.33Å; L480-V490 HydrophobicContact CB-CG2 4.46Å; L480-V490 HydrophobicContact CD1-CB 3.65Å; L480-V490 HydrophobicContact CD1-CG1 4.32Å; L480-V490 HydrophobicContact CD1-CG2 3.77Å; L480-V490 HydrophobicContact CG-CB 4.28Å; L480-V490 HydrophobicContact CG-CG2 4.28Å; L480-L495 HydrophobicContact CD1-CD1 3.67Å; L480-L495 HydrophobicContact CD1-CD2 3.62Å; L480-L495 HydrophobicContact CD1-CG 4.29Å; L480-L495 HydrophobicContact CD2-CD1 4.3Å
481	Q	84.9	Confident	79.5	Confident	59 Å²	59	55.1 Å²	55.1	28%	0.276	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.9	170.6	-154.1	171.2	14.3	0	0	109.8	L467 Q468 L470 G485 E486	L467-Q481 CarbonylContact C-O 3.38Å; L467-Q481 VanDerWaalsContact CA-O 3.22Å; L467-Q481 WeakPolarHBondContact CA-O 3.49Å; Q468-Q481 HydrophobicContact CB-CB 4.36Å; Q468-Q481 PolarHBondContact N-O 3.44Å; Q468-Q481 PolarHBondContact O-N 2.95Å; L470-Q481 HydrophobicContact CD1-CB 3.83Å; L470-Q481 HydrophobicContact CD1-CG 4.32Å; L470-Q481 HydrophobicContact CD2-CB 4.25Å; L470-Q481 HydrophobicContact CG-CB 3.94Å; Q481-G485 PolarHBondContact NE2-O 2.75Å; Q481-E486 VanDerWaalsContact CA-O 3.31Å; Q481-E486 WeakPolarHBondContact CA-O 3.37Å
482	N	80.9	Confident	79.6	Confident	18 Å²	18	52.4 Å²	52.4	10%	0.096	31%	0.307	C	S	.	.			trans	-77.8	172.5	168.2	61.2	12.5	0	0	0	111.3	L459 L467 A484 G485 E486	L459-N482 HydrophobicContact CD2-CB 4.28Å; L467-N482 HydrophobicContact CD2-CB 3.59Å; N482-A484 PolarHBondContact O-N 3.4Å; N482-A484 WeakPolarHBondContact OD1-CB 3.48Å; N482-A484 PolarHBondContact OD1-N 3.48Å; N482-G485 PolarHBondContact O-N 3.39Å; N482-G485 PolarHBondContact OD1-N 3.39Å; N482-E486 PolarHBondContact N-O 3.06Å; N482-E486 VanDerWaalsContact N-O 3.17Å; N482-E486 PolarHBondContact ND2-OE2 2.93Å; N482-E486 WeakPolarHBondContact OD1-CB 3.44Å; N482-E486 PolarHBondContact OD1-N 2.97Å; N482-E486 PolarHBondContact OD1-O 3.46Å
483	D	71	Confident	79.5	Confident	129 Å²	129	53.3 Å²	53.3	69%	0.69	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.5	173.9	65.7	-32	0	0	0	112.9	G485	D483-G485 PolarHBondContact O-N 3.18Å
484	A	69.7	Low	80.2	Confident	74 Å²	74	50 Å²	50	61%	0.612	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-11.8	169.1	0	0	0	0	0	113.9	N482	N482-A484 PolarHBondContact O-N 3.4Å; N482-A484 WeakPolarHBondContact OD1-CB 3.48Å; N482-A484 PolarHBondContact OD1-N 3.48Å
485	G	74.7	Confident	81.3	Confident	37 Å²	37	44.8 Å²	44.8	38%	0.381	26%	0.256	S	S	.	.			trans	87.8	2.5	177.4	0	0	0	0	0	114.9	Q481 N482 D483 S487	Q481-G485 PolarHBondContact NE2-O 2.75Å; N482-G485 PolarHBondContact O-N 3.39Å; N482-G485 PolarHBondContact OD1-N 3.39Å; D483-G485 PolarHBondContact O-N 3.18Å; G485-S487 PolarHBondContact O-N 2.78Å
486	E	78.7	Confident	81.8	Confident	110 Å²	110	48.6 Å²	48.6	51%	0.514	26%	0.26	S	S	.	.			trans	-71.7	125.2	174.4	-58.4	-179.7	110.7	0	0	110.2	L459 Q481 N482	L459-E486 HydrophobicContact CD1-CB 3.62Å; L459-E486 WeakPolarHBondContact CD1-O 3.3Å; Q481-E486 VanDerWaalsContact CA-O 3.31Å; Q481-E486 WeakPolarHBondContact CA-O 3.37Å; N482-E486 PolarHBondContact N-O 3.06Å; N482-E486 VanDerWaalsContact N-O 3.17Å; N482-E486 PolarHBondContact ND2-OE2 2.93Å; N482-E486 WeakPolarHBondContact OD1-CB 3.44Å; N482-E486 PolarHBondContact OD1-N 2.97Å; N482-E486 PolarHBondContact OD1-O 3.46Å
487	S	83.9	Confident	81.5	Confident	74 Å²	74	44.9 Å²	44.9	52%	0.517	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.6	177.2	65.6	0	0	0	0	111.7	L480 G485	L480-S487 CarbonylContact O-C 3.56Å; L480-S487 VanDerWaalsContact O-CA 3.24Å; L480-S487 WeakPolarHBondContact O-CA 3.49Å; G485-S487 PolarHBondContact O-N 2.78Å
488	G	86.2	Confident	80.7	Confident	3 Å²	3	44 Å²	44	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	167.1	176.6	0	0	0	0	0	113.9	Q457 L480	Q457-G488 CarbonylContact O-C 3.46Å; Q457-G488 WeakPolarHBondContact O-CA 3.11Å; L480-G488 PolarHBondContact N-O 3.46Å; L480-G488 PolarHBondContact O-N 3.33Å
489	E	88.1	Confident	78.8	Confident	27 Å²	27	47.4 Å²	47.4	13%	0.126	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.9	-173.1	-66.2	179.2	-171.4	0	0	111.4	H451 Q457 E458 L459 K474 W477 W478 L479	H451-E489 PolarHBondContact NE2-O 2.96Å; Q457-E489 WeakPolarHBondContact O-CB 3.44Å; Q457-E489 PolarHBondContact O-N 3.09Å; E458-E489 VanDerWaalsContact CA-O 3.29Å; E458-E489 WeakPolarHBondContact CA-O 3.33Å; L459-E489 PolarHBondContact N-O 2.98Å; K474-E489 VanDerWaalsContact CD-OE1 3.28Å; K474-E489 WeakPolarHBondContact CD-OE1 3.33Å; K474-E489 WeakPolarHBondContact CE-OE1 3.32Å; K474-E489 IonicContact NZ-OE1 2.59Å; K474-E489 PolarHBondContact NZ-OE1 2.98Å; K474-E489 IonicContact NZ-OE2 3.98Å; W477-E489 HydrophobicContact CE3-CB 4.07Å; W478-E489 CarbonylContact O-C 3.58Å; W478-E489 VanDerWaalsContact O-CA 3.28Å; W478-E489 WeakPolarHBondContact O-CA 3.47Å; L479-E489 HydrophobicContact CD1-CG 4.18Å
490	V	84.2	Confident	76.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.2	176.2	-172.3	0	0	0	0	108.1	H451 L459 V461 L467 W478 L480 A492 K494 L495	H451-V490 HydrophobicContact CB-CG1 4.31Å; L459-V490 HydrophobicContact CB-CG2 3.73Å; L459-V490 HydrophobicContact CD2-CG2 4.47Å; V461-V490 HydrophobicContact CG2-CG1 4.3Å; V461-V490 HydrophobicContact CG2-CG2 4.21Å; L467-V490 HydrophobicContact CD1-CG2 4.33Å; W478-V490 PolarHBondContact N-O 2.98Å; W478-V490 PolarHBondContact O-N 2.86Å; L480-V490 HydrophobicContact CB-CG2 4.46Å; L480-V490 HydrophobicContact CD1-CB 3.65Å; L480-V490 HydrophobicContact CD1-CG1 4.32Å; L480-V490 HydrophobicContact CD1-CG2 3.77Å; L480-V490 HydrophobicContact CG-CB 4.28Å; L480-V490 HydrophobicContact CG-CG2 4.28Å; V490-A492 PolarHBondContact O-N 3.35Å; V490-K494 HydrophobicContact CG1-CB 3.98Å; V490-K494 HydrophobicContact CG1-CD 4.32Å; V490-L495 HydrophobicContact CG1-CD2 3.95Å
491	P	83.5	Confident	74.4	Confident	9 Å²	9	54.8 Å²	54.8	6%	0.058	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	131.7	179	-19.3	28.6	0	0	0	112.1	D476 W477 W493 K494	D476-P491 CarbonylContact O-C 3.59Å; D476-P491 WeakPolarHBondContact O-CA 3.24Å; W477-P491 HydrophobicContact CD2-CG 4.06Å; W477-P491 HydrophobicContact CE3-CG 3.82Å; W477-P491 HydrophobicContact CH2-CG 3.76Å; W477-P491 HydrophobicContact CZ2-CG 3.97Å; W477-P491 HydrophobicContact CZ3-CG 3.66Å; P491-W493 VanDerWaalsContact C-N 3.25Å; P491-W493 PolarHBondContact O-N 3.37Å; P491-W493 VanDerWaalsContact O-N 3.12Å; P491-K494 HydrophobicContact CB-CG 4.12Å; P491-K494 HydrophobicContact CG-CD 4.33Å; P491-K494 HydrophobicContact CG-CG 4.28Å; P491-K494 WeakPolarHBondContact O-CA 3.49Å; P491-K494 WeakPolarHBondContact O-CB 3.3Å; P491-K494 WeakPolarHBondContact O-CG 3.49Å; P491-K494 PolarHBondContact O-N 3.26Å
492	A	81.3	Confident	72.3	Confident	6 Å²	6	55.7 Å²	55.7	5%	0.05	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-58.5	-31.4	-171	0	0	0	0	0	114.5	Q435 W438 D476 W478 V490 K494 L495	Q435-A492 PolarHBondContact NE2-O 2.83Å; W438-A492 HydrophobicContact CH2-CB 4.17Å; D476-A492 PolarHBondContact O-N 2.97Å; W478-A492 HydrophobicContact CD2-CB 3.69Å; W478-A492 HydrophobicContact CE3-CB 4.32Å; W478-A492 HydrophobicContact CG-CB 3.94Å; W478-A492 HydrophobicContact CZ2-CB 4.11Å; V490-A492 PolarHBondContact O-N 3.35Å; A492-K494 PolarHBondContact O-N 2.95Å; A492-L495 WeakPolarHBondContact O-CB 3.21Å; A492-L495 PolarHBondContact O-N 2.93Å
493	W	80.3	Confident	70	Confident	87 Å²	87	59.9 Å²	59.9	33%	0.33	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-69.3	-13.3	176.2	76.2	-91.6	0	0	0	112.8	V449 P491 L495 E706	V449-W493 HydrophobicContact CG1-CH2 3.62Å; V449-W493 HydrophobicContact CG1-CZ2 4.5Å; V449-W493 HydrophobicContact CG1-CZ3 3.98Å; V449-W493 HydrophobicContact CG2-CZ3 4.12Å; P491-W493 VanDerWaalsContact C-N 3.25Å; P491-W493 PolarHBondContact O-N 3.37Å; P491-W493 VanDerWaalsContact O-N 3.12Å; W493-L495 PolarHBondContact O-N 3.03Å; W493-E706 HydrophobicContact CH2-CG 3.21Å; W493-E706 HydrophobicContact CZ2-CG 3.45Å; W493-E706 VanDerWaalsContact CZ2-CG 3.45Å; W493-E706 HydrophobicContact CZ3-CG 4.38Å
494	K	81.6	Confident	67.9	Low	3 Å²	3	59.7 Å²	59.7	1%	0.013	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-73.3	-6.5	172.6	-66.9	-147.7	164.7	-164.1	0	113.9	N448 V449 L450 H451 V490 P491 A492 E706	N448-K494 PolarHBondContact N-O 2.83Å; N448-K494 VanDerWaalsContact N-O 3.07Å; V449-K494 HydrophobicContact CB-CB 3.65Å; V449-K494 HydrophobicContact CB-CD 4.05Å; V449-K494 HydrophobicContact CB-CG 3.88Å; V449-K494 WeakPolarHBondContact CB-O 3.34Å; V449-K494 HydrophobicContact CG1-CB 4.11Å; V449-K494 HydrophobicContact CG1-CD 3.63Å; V449-K494 HydrophobicContact CG1-CG 3.73Å; V449-K494 HydrophobicContact CG2-CB 4.2Å; V449-K494 VanDerWaalsContact CG2-O 3.3Å; V449-K494 WeakPolarHBondContact CG2-O 3.39Å; V449-K494 WeakPolarHBondContact O-CD 3.45Å; L450-K494 PolarHBondContact O-NZ 3.39Å; H451-K494 HydrophobicContact CB-CD 3.68Å; H451-K494 PolarHBondContact ND1-NZ 2.91Å; H451-K494 VanDerWaalsContact ND1-NZ 3.2Å; V490-K494 HydrophobicContact CG1-CB 3.98Å; V490-K494 HydrophobicContact CG1-CD 4.32Å; P491-K494 HydrophobicContact CB-CG 4.12Å; P491-K494 HydrophobicContact CG-CD 4.33Å; P491-K494 HydrophobicContact CG-CG 4.28Å; P491-K494 WeakPolarHBondContact O-CA 3.49Å; P491-K494 WeakPolarHBondContact O-CB 3.3Å; P491-K494 WeakPolarHBondContact O-CG 3.49Å; P491-K494 PolarHBondContact O-N 3.26Å; A492-K494 PolarHBondContact O-N 2.95Å; K494-E706 VanDerWaalsContact CE-CD 3.48Å; K494-E706 WeakPolarHBondContact CE-OE1 3.34Å; K494-E706 WeakPolarHBondContact CE-OE2 3.25Å; K494-E706 IonicContact NZ-OE1 2.78Å; K494-E706 PolarHBondContact NZ-OE1 3.44Å; K494-E706 IonicContact NZ-OE2 2.7Å; K494-E706 PolarHBondContact NZ-OE2 3.29Å
495	L	83.2	Confident	65.8	Low	4 Å²	4	61.6 Å²	61.6	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.4	-164	-45.3	171.5	0	0	0	110.8	Q435 W438 C445 V446 V447 W478 L480 V490 A492 W493	Q435-L495 PolarHBondContact NE2-O 2.78Å; W438-L495 HydrophobicContact CZ2-CB 4.41Å; C445-L495 HydrophobicContact CB-CB 4.12Å; V446-L495 WeakPolarHBondContact O-CA 3.4Å; V447-L495 HydrophobicContact CG2-CD2 4.1Å; W478-L495 HydrophobicContact CD2-CD1 4.32Å; W478-L495 HydrophobicContact CE3-CD1 3.58Å; W478-L495 HydrophobicContact CZ3-CD1 4.21Å; L480-L495 HydrophobicContact CD1-CD1 3.67Å; L480-L495 HydrophobicContact CD1-CD2 3.62Å; L480-L495 HydrophobicContact CD1-CG 4.29Å; L480-L495 HydrophobicContact CD2-CD1 4.3Å; V490-L495 HydrophobicContact CG1-CD2 3.95Å; A492-L495 WeakPolarHBondContact O-CB 3.21Å; A492-L495 PolarHBondContact O-N 2.93Å; W493-L495 PolarHBondContact O-N 3.03Å
496	K	77.4	Confident	63.5	Low	127 Å²	127	65.2 Å²	65.2	55%	0.552	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	155.1	155.6	-74.1	174.6	-173.7	154.2	0	108.5	C445 V446 N448 Y498	C445-K496 CarbonylContact C-O 3.53Å; C445-K496 WeakPolarHBondContact CA-O 3.27Å; C445-K496 WeakPolarHBondContact CB-O 3.4Å; V446-K496 HydrophobicContact CG1-CB 4.02Å; V446-K496 PolarHBondContact N-O 2.96Å; V446-K496 PolarHBondContact O-N 2.99Å; N448-K496 WeakPolarHBondContact ND2-CG 3.46Å; N448-K496 PolarHBondContact ND2-N 2.86Å; N448-K496 VanDerWaalsContact OD1-CD 3.25Å; N448-K496 WeakPolarHBondContact OD1-CD 3.19Å; N448-K496 WeakPolarHBondContact OD1-CE 3.21Å; N448-K496 PolarHBondContact OD1-NZ 2.88Å; K496-Y498 PolarHBondContact O-N 3.03Å
497	A	73.9	Confident	60.9	Low	20 Å²	20	66.2 Å²	66.2	17%	0.165	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	136.9	162.4	0	0	0	0	0	110.4	E442 N499	E442-A497 WeakPolarHBondContact OE2-CB 3.46Å; A497-N499 VanDerWaalsContact CB-OD1 3.26Å; A497-N499 WeakPolarHBondContact CB-OD1 3.35Å
498	Y	65.9	Low	58.1	Low	61 Å²	61	67.4 Å²	67.4	24%	0.239	36%	0.362	C	S	.	.			trans	-118.6	96.1	172.1	-178.2	-98.6	0	0	0	107.7	W444 V446 V466 K496 Y500	W444-Y498 HydrophobicContact CB-CD1 3.94Å; W444-Y498 PolarHBondContact O-N 2.83Å; V446-Y498 HydrophobicContact CB-CD2 3.96Å; V446-Y498 HydrophobicContact CB-CG 4.39Å; V446-Y498 HydrophobicContact CG1-CD2 4.31Å; V466-Y498 HydrophobicContact CB-CD1 4.49Å; V466-Y498 HydrophobicContact CB-CE1 4.42Å; V466-Y498 HydrophobicContact CG1-CD1 3.47Å; V466-Y498 VanDerWaalsContact CG1-CD1 3.47Å; V466-Y498 HydrophobicContact CG1-CE1 3.59Å; V466-Y498 HydrophobicContact CG1-CG 4.01Å; V466-Y498 HydrophobicContact CG2-CD1 4.15Å; V466-Y498 HydrophobicContact CG2-CD2 3.9Å; V466-Y498 HydrophobicContact CG2-CE1 3.93Å; V466-Y498 HydrophobicContact CG2-CE2 3.68Å; V466-Y498 HydrophobicContact CG2-CG 4.12Å; K496-Y498 PolarHBondContact O-N 3.03Å; Y498-Y500 WeakPolarHBondContact CD1-O 3.31Å; Y498-Y500 VanDerWaalsContact CE1-O 3.23Å; Y498-Y500 WeakPolarHBondContact CE1-O 3.32Å; Y498-Y500 PolarHBondContact O-N 2.92Å; Y498-Y500 VanDerWaalsContact O-N 3.16Å
499	N	48.9	Very low	55.2	Low	96 Å²	96	70 Å²	70	51%	0.513	39%	0.388	S	S	.	.			trans	-83	10.1	-166.8	-63.2	53.6	0	0	0	113	E442 A497	E442-N499 PolarHBondContact OE1-ND2 3.03Å; A497-N499 VanDerWaalsContact CB-OD1 3.26Å; A497-N499 WeakPolarHBondContact CB-OD1 3.35Å
500	Y	43.8	Very low	52.2	Low	45 Å²	45	76.8 Å²	76.8	18%	0.176	43%	0.425	C	S	.	.			trans	-99.5	133.5	178.8	-144.7	-122.3	0	0	0	110.6	E108 Y498	E108-Y500 VanDerWaalsContact CA-CE2 3.48Å; E108-Y500 HydrophobicContact CB-CD1 4.35Å; E108-Y500 HydrophobicContact CB-CD2 3.98Å; E108-Y500 HydrophobicContact CB-CE1 3.87Å; E108-Y500 HydrophobicContact CB-CE2 3.51Å; E108-Y500 HydrophobicContact CB-CG 4.39Å; E108-Y500 VanDerWaalsContact CB-CZ 3.41Å; E108-Y500 VanDerWaalsContact CD-CZ 3.43Å; E108-Y500 VanDerWaalsContact CD-OH 3.24Å; E108-Y500 HydrophobicContact CG-CE1 4Å; E108-Y500 HydrophobicContact CG-CE2 4.24Å; E108-Y500 WeakPolarHBondContact CG-OH 3.45Å; E108-Y500 WeakPolarHBondContact O-CD2 3.46Å; E108-Y500 WeakPolarHBondContact O-CE2 3.18Å; E108-Y500 WeakPolarHBondContact OE1-CE1 3.3Å; E108-Y500 VanDerWaalsContact OE1-CZ 3.24Å; E108-Y500 PolarHBondContact OE1-OH 3.4Å; Y498-Y500 WeakPolarHBondContact CD1-O 3.31Å; Y498-Y500 VanDerWaalsContact CE1-O 3.23Å; Y498-Y500 WeakPolarHBondContact CE1-O 3.32Å; Y498-Y500 PolarHBondContact O-N 2.92Å; Y498-Y500 VanDerWaalsContact O-N 3.16Å
501	R	40.6	Very low	49.4	Very low	161 Å²	161	85.7 Å²	85.7	61%	0.608	46%	0.463	S	S	*	.			trans	-83.8	131	169.8	-72	-173.5	-177.6	168.2	2.3	108.3	D503	R501-D503 HydrophobicContact CB-CB 4.42Å; R501-D503 PolarHBondContact O-N 2.87Å
502	P	40.1	Very low	46.6	Very low	79 Å²	79	94.4 Å²	94.4	51%	0.513	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-3.6	168.6	-24.1	35.8	0	0	0	114.9	W444	W444-P502 HydrophobicContact CD2-CG 4.43Å; W444-P502 HydrophobicContact CH2-CG 4.14Å; W444-P502 HydrophobicContact CZ2-CG 3.87Å
503	D	32.7	Very low	43.9	Very low	106 Å²	106	100 Å²	100	57%	0.567	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	0.2	-159.3	-43.4	-53	0	0	0	115.2	R501	R501-D503 HydrophobicContact CB-CB 4.42Å; R501-D503 PolarHBondContact O-N 2.87Å
504	H	28.2	Very low	41.3	Very low	124 Å²	124	101.1 Å²	101.1	57%	0.574	55%	0.553	S	S	*	*			trans	-138.8	109.2	-176.6	-85.7	-69.4	0	0	0	114.8	T506	H504-T506 PolarHBondContact O-N 3.47Å; H504-T506 VanDerWaalsContact O-N 3.1Å
505	P	24.1	Very low	38.6	Very low	114 Å²	114	105.4 Å²	105.4	74%	0.74	58%	0.583	S	S	*	*			trans	-78.8	91.3	172.4	31.6	-33.6	0	0	0	111.2	T507	P505-T507 PolarHBondContact O-N 2.76Å; P505-T507 PolarHBondContact O-OG1 2.77Å
506	T	26.2	Very low	35.8	Very low	113 Å²	113	113.6 Å²	113.6	69%	0.693	62%	0.623	S	S	*	*			trans	-68.9	100.9	-178.4	-57.5	0	0	0	0	111.1	H504 A508	H504-T506 PolarHBondContact O-N 3.47Å; H504-T506 VanDerWaalsContact O-N 3.1Å; T506-A508 PolarHBondContact O-N 3.28Å
507	T	24.2	Very low	33.3	Very low	131 Å²	131	114.9 Å²	114.9	80%	0.804	64%	0.636	S	S	*	*			trans	-81.2	97.9	-168.5	-63	0	0	0	0	112.5	P505	P505-T507 PolarHBondContact O-N 2.76Å; P505-T507 PolarHBondContact O-OG1 2.77Å
508	A	25.9	Very low	31	Very low	100 Å²	100	120.8 Å²	120.8	83%	0.826	67%	0.665	S	S	*	*			trans	-155.1	107.8	165.4	0	0	0	0	0	112	T506	T506-A508 PolarHBondContact O-N 3.28Å
509	G	24.5	Very low	29.1	Very low	57 Å²	57	125.1 Å²	125.1	59%	0.588	69%	0.692	S	S	*	*			cis	158.1	133.5	-15.1	0	0	0	0	0	113.9
510	L	25.5	Very low	28.1	Very low	170 Å²	170	127.7 Å²	127.7	89%	0.89	71%	0.705	S	S	*	*			trans	71.6	133.5	164.2	-47.4	154.6	0	0	0	114
511	K	26.3	Very low	27.3	Very low	186 Å²	186	130.6 Å²	130.6	81%	0.809	73%	0.731	S	S	*	*			cis	-150.5	134.4	20.6	-57.4	163.9	-170.5	166.2	0	107.6
512	K	24.1	Very low	26.8	Very low	192 Å²	192	134.6 Å²	134.6	84%	0.835	75%	0.747	S	S	*	*				42.5	130.9	88.8	-67.5	-169.9	177.4	-177.6	0	113.5
513	T	24.6	Very low	26.3	Very low	125 Å²	125	140 Å²	140	77%	0.767	76%	0.762	S	S	*	*			cis	179.8	-178.5	16.1	13.1	0	0	0	0	108.4
514	P	25.9	Very low	26.3	Very low	110 Å²	110	139.8 Å²	139.8	71%	0.714	77%	0.769	S	S	*	*			cis	-137.7	175.3	-23.6	38.1	-19.2	0	0	0	116.2
515	S	24.9	Very low	26.3	Very low	93 Å²	93	140.2 Å²	140.2	65%	0.65	78%	0.78	S	S	*	*			trans	12.3	129.4	148.1	-52	0	0	0	0	123.6
516	M	24.8	Very low	26.7	Very low	176 Å²	176	143.6 Å²	143.6	87%	0.867	79%	0.786	S	S	*	*				-120.8	150.2	97.4	-63.3	-155.2	-56.7	0	0	106.9
517	N	24.3	Very low	26.9	Very low	154 Å²	154	143.7 Å²	143.7	82%	0.824	79%	0.787	S	S	*	*			cis	-108.3	145.3	27.9	-65.7	-45	0	0	0	115
518	N	26.7	Very low	27.2	Very low	143 Å²	143	147.5 Å²	147.5	77%	0.765	79%	0.792	S	S	*	*			trans	-140	166.7	162.7	-118.5	-30.8	0	0	0	106.5
519	L	25.6	Very low	27.6	Very low	153 Å²	153	145.8 Å²	145.8	80%	0.801	79%	0.785	S	S	*	*			trans	83.2	115.3	-165.2	-53.8	169.1	0	0	0	112
520	L	27.1	Very low	27.8	Very low	150 Å²	150	150 Å²	150	79%	0.785	79%	0.793	S	S	*	*			cis	-136.7	136.2	6.3	-75.4	107.8	0	0	0	115.2
521	S	28.2	Very low	28.2	Very low	106 Å²	106	148 Å²	148	74%	0.741	78%	0.784	S	S	*	*			trans	55.4	87.1	130	-50.9	0	0	0	0	120.9
522	R	28.7	Very low	28.5	Very low	245 Å²	245	143.9 Å²	143.9	93%	0.925	78%	0.779	S	S	*	*				-102	155.6	114.3	-77.5	178.6	169.1	164.8	-1.6	106.8
523	K	29.4	Very low	29	Very low	192 Å²	192	141.5 Å²	141.5	84%	0.835	78%	0.775	S	S	*	*			cis	-152.8	175.6	19.1	-140.1	-178.3	173.7	-164.3	0	105.6
524	S	32.8	Very low	29.5	Very low	102 Å²	102	142.1 Å²	142.1	71%	0.713	77%	0.774	S	S	*	*			cis	-153.3	156.4	20.5	-55	0	0	0	0	112.4
525	T	28.6	Very low	29.8	Very low	133 Å²	133	142 Å²	142	82%	0.816	77%	0.77	S	S	*	*			trans	-103.2	132.2	158.9	28.9	0	0	0	0	110.4
526	E	32.8	Very low	30.3	Very low	185 Å²	185	145.8 Å²	145.8	86%	0.864	78%	0.777	S	S	*	*			trans	-137.4	103.3	145.9	-66	-170	-177.8	0	0	105.5
527	T	29.3	Very low	30.6	Very low	115 Å²	115	141.7 Å²	141.7	71%	0.706	77%	0.766	S	S	*	*				77.7	104.4	88.3	-57.8	0	0	0	0	112.6
528	F	32.4	Very low	31	Very low	210 Å²	210	142.1 Å²	142.1	92%	0.921	76%	0.763	S	S	*	*			trans	-179.2	147.6	134	-98.3	-62.6	0	0	0	111.5
529	G	32.9	Very low	31.4	Very low	64 Å²	64	140.5 Å²	140.5	66%	0.66	76%	0.755	S	S	*	*			trans	63.5	92.6	148.6	0	0	0	0	0	120.2
530	N	29.2	Very low	31.9	Very low	145 Å²	145	141.4 Å²	141.4	78%	0.775	76%	0.755	S	S	*	*				47.8	155.1	118.6	-86.6	51.9	0	0	0	124.6
531	D	34.1	Very low	32.4	Very low	130 Å²	130	138.5 Å²	138.5	70%	0.695	75%	0.746	S	S	*	*			trans	73.8	86	151.4	-53.6	-13.8	0	0	0	120.1
532	S	31.6	Very low	32.7	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	75%	0.747	S	S	*	*				59.3	128	122.6	62.8	0	0	0	0	122.9
533	D	35.3	Very low	32.9	Very low	142 Å²	142	137 Å²	137	76%	0.759	74%	0.74	S	S	*	*			trans	81.6	132.1	137.6	-65.7	0.1	0	0	0	122.4
534	N	34.2	Very low	33.1	Very low	138 Å²	138	135.5 Å²	135.5	74%	0.738	74%	0.736	S	S	*	*			trans	61.2	117.6	151.1	-67.4	-41.7	0	0	0	118.8
535	V	33.2	Very low	33.3	Very low	106 Å²	106	135 Å²	135	64%	0.642	73%	0.733	S	S	*	*			cis	111.6	135.6	46	148.3	0	0	0	0	108.9
536	H	34.7	Very low	33.7	Very low	173 Å²	173	137.1 Å²	137.1	80%	0.801	73%	0.733	S	S	*	*			trans	64.8	160	-178.7	-62.2	-41.4	0	0	0	115.9
537	S	31.1	Very low	33.6	Very low	91 Å²	91	138.6 Å²	138.6	64%	0.636	73%	0.731	S	S	*	*			cis	-175.3	175.6	-33.6	-89.6	0	0	0	0	106.5
538	E	34	Very low	33.9	Very low	163 Å²	163	139.3 Å²	139.3	76%	0.762	73%	0.731	S	S	*	*			trans	80.1	106.9	152.3	-56.1	-132.7	168.7	0	0	121.2
539	N	34.1	Very low	33.8	Very low	108 Å²	108	136.8 Å²	136.8	58%	0.578	73%	0.727	S	S	*	*				75.9	139.2	113.2	-60.6	-29.2	0	0	0	123.8
540	H	37	Very low	33.8	Very low	173 Å²	173	138 Å²	138	80%	0.801	73%	0.725	S	S	*	*			trans	71.2	151.1	150.3	-59.6	-28.3	0	0	0	119.5
541	S	37.6	Very low	34.1	Very low	88 Å²	88	140 Å²	140	62%	0.615	73%	0.73	S	S	*	*			cis	-171.7	153	-20.4	55.6	0	0	0	0	113.7
542	N	32.8	Very low	33.9	Very low	140 Å²	140	138 Å²	138	75%	0.749	73%	0.731	S	S	*	*			trans	68.3	165.5	142.9	-72.6	-14.5	0	0	0	123.7
543	F	33.3	Very low	34.4	Very low	179 Å²	179	138.6 Å²	138.6	79%	0.785	73%	0.732	S	S	*	*			trans	82.5	104	174.4	-63.2	-78.2	0	0	0	117.4
544	Q	34.7	Very low	34.5	Very low	162 Å²	162	141.1 Å²	141.1	76%	0.757	74%	0.737	S	S	*	*			cis	89.2	105.3	23.7	-164.5	-170.4	7.6	0	0	115.7
545	S	37.4	Very low	34.5	Very low	92 Å²	92	138.8 Å²	138.8	64%	0.643	73%	0.731	S	S	*	*			trans	178.6	124.7	134.2	-87.6	0	0	0	0	116.1
546	Q	35.9	Very low	34.3	Very low	176 Å²	176	140.6 Å²	140.6	82%	0.822	74%	0.736	S	S	*	*			trans	60.8	157.6	130.5	-57.9	-175.6	47.8	0	0	122.3
547	R	31.2	Very low	34.2	Very low	216 Å²	216	139.9 Å²	139.9	82%	0.815	74%	0.737	S	S	*	*			cis	-170.6	160	-45	-129.8	-175.8	-179.3	176.7	0.1	110.5
548	N	34.5	Very low	34.1	Very low	131 Å²	131	145.4 Å²	145.4	70%	0.701	74%	0.744	S	S	*	*			trans	76.4	117	153.7	-59.2	-9.5	0	0	0	122.6
549	N	31.4	Very low	34.2	Very low	156 Å²	156	142.6 Å²	142.6	83%	0.834	73%	0.734	S	S	*	*			trans	-5.5	154.5	132.8	-46.9	-17.1	0	0	0	117.8
550	S	32.7	Very low	34.2	Very low	90 Å²	90	145.8 Å²	145.8	63%	0.629	74%	0.743	S	S	*	*			cis	-176.4	173.6	48.3	54	0	0	0	0	115.6
551	H	35.7	Very low	33.8	Very low	187 Å²	187	143 Å²	143	87%	0.866	74%	0.743	S	S	*	*			trans	79.4	155.3	153.7	-63.8	-45.5	0	0	0	122.8
552	A	30.1	Very low	33.8	Very low	87 Å²	87	144.9 Å²	144.9	72%	0.719	75%	0.753	S	S	*	*			trans	-164.8	-172.9	-179.5	0	0	0	0	0	107.2
553	P	42.6	Very low	33.7	Very low	112 Å²	112	144.6 Å²	144.6	73%	0.727	76%	0.756	S	S	*	*			cis	-118.6	-149.5	-32	39.6	-23.9	0	0	0	110.2
554	K	36.1	Very low	33.5	Very low	195 Å²	195	147.4 Å²	147.4	85%	0.848	76%	0.762	S	S	*	*			trans	91.6	147.2	178.5	-57.6	170.1	-176.5	174.6	0	114.4
555	S	33.5	Very low	33.3	Very low	89 Å²	89	148.3 Å²	148.3	62%	0.622	77%	0.766	S	S	*	*			cis	-177.2	164	-16.5	54.1	0	0	0	0	112.2
556	I	31	Very low	33.1	Very low	145 Å²	145	149.3 Å²	149.3	74%	0.744	77%	0.768	S	S	*	*			trans	82.4	145.1	145	-79	162	0	0	0	120.3
557	L	31.8	Very low	32.8	Very low	157 Å²	157	147.3 Å²	147.3	82%	0.822	76%	0.763	S	S	*	*			trans	67.2	156.4	170.6	-103.8	97.9	0	0	0	118.4
558	R	29.8	Very low	33	Very low	207 Å²	207	143.2 Å²	143.2	78%	0.781	76%	0.763	S	S	*	*			cis	173	166.6	-43	177.7	171.3	179.5	165.8	4.8	107.8
559	D	34	Very low	32.9	Very low	105 Å²	105	141.8 Å²	141.8	56%	0.561	76%	0.763	S	S	*	*			trans	76.4	149.4	173.9	-70.2	-12.9	0	0	0	115.5
560	K	35.7	Very low	32.8	Very low	174 Å²	174	140.6 Å²	140.6	76%	0.757	76%	0.761	S	S	*	*			cis	-158.3	152.2	-13.8	-113.1	158.8	-169.4	147.3	0	109.3
561	S	28.9	Very low	32.7	Very low	115 Å²	115	143.5 Å²	143.5	80%	0.804	77%	0.769	S	S	*	*			trans	-72.7	160.5	167.7	-41.9	0	0	0	0	111.6
562	P	37.6	Very low	32.2	Very low	128 Å²	128	141.5 Å²	141.5	83%	0.831	77%	0.765	S	S	*	*				-146	-167.5	108.7	39.9	-24.1	0	0	0	115.6
563	T	30.2	Very low	32.2	Very low	133 Å²	133	144.7 Å²	144.7	82%	0.816	77%	0.768	S	S	*	*			trans	-92.3	137.4	-156.6	44.5	0	0	0	0	118.1
564	R	28.5	Very low	31.5	Very low	238 Å²	238	144 Å²	144	90%	0.898	77%	0.766	S	S	*	*				41.2	105	121	-165.1	-171.5	-163.2	-151.7	5	119.8
565	Q	31	Very low	31.2	Very low	181 Å²	181	141.7 Å²	141.7	85%	0.846	76%	0.762	S	S	*	*			trans	-166.6	162	147.3	-105.4	176.4	-23.3	0	0	107.6
566	T	33.5	Very low	30.9	Very low	113 Å²	113	143 Å²	143	69%	0.693	77%	0.768	S	S	*	*			cis	-144.5	174.4	4.1	-10.7	0	0	0	0	112.6
567	D	29.2	Very low	30.7	Very low	134 Å²	134	142.6 Å²	142.6	72%	0.717	77%	0.767	S	S	*	*			trans	-49.6	155.7	176.7	-49.9	-59.9	0	0	0	120.1
568	T	34.3	Very low	30.5	Very low	131 Å²	131	140.5 Å²	140.5	80%	0.804	77%	0.766	S	S	*	*				-173	135.1	105.6	20.5	0	0	0	0	114.7
569	S	33.1	Very low	30.6	Very low	100 Å²	100	135.9 Å²	135.9	70%	0.699	76%	0.763	S	S	*	*			trans	33.4	139.5	144.9	59	0	0	0	0	121.9
570	V	30.4	Very low	30.3	Very low	132 Å²	132	137.5 Å²	137.5	80%	0.8	78%	0.777	S	S	*	*			cis	-167.4	167.9	-4	-93.2	0	0	0	0	106.4
571	L	30.4	Very low	30.1	Very low	150 Å²	150	133 Å²	133	79%	0.785	78%	0.78	S	S	*	*			cis	-149.9	-178.1	-2.9	-127.1	170.9	0	0	0	108.2
572	N	24.5	Very low	30	Very low	146 Å²	146	136.4 Å²	136.4	78%	0.781	78%	0.783	S	S	*	*			trans	-160.2	-171.8	171.4	-143.7	-27.3	0	0	0	110.6
573	L	29.6	Very low	29.5	Very low	153 Å²	153	137.6 Å²	137.6	80%	0.801	78%	0.782	S	S	*	*			trans	101	144.6	176.6	-56.1	159.7	0	0	0	115.2
574	S	27.8	Very low	29.3	Very low	97 Å²	97	135.4 Å²	135.4	68%	0.678	77%	0.772	S	S	*	*			cis	-166.1	137.5	-24.6	-103	0	0	0	0	113.6
575	I	29.9	Very low	29.2	Very low	148 Å²	148	130.5 Å²	130.5	76%	0.759	76%	0.764	S	S	*	*			trans	-10.9	134	147.6	-67.3	162.9	0	0	0	115.9
576	P	28.6	Very low	29.3	Very low	116 Å²	116	129.5 Å²	129.5	75%	0.753	77%	0.765	S	S	*	*				-155.2	143.3	84.1	39.6	-18.6	0	0	0	121.7
577	N	26.9	Very low	29.1	Very low	136 Å²	136	129.6 Å²	129.6	73%	0.727	76%	0.761	S	S	*	*			trans	30.1	116.4	137.6	-54.7	-7.8	0	0	0	123.9
578	S	26.5	Very low	29.3	Very low	114 Å²	114	131 Å²	131	80%	0.797	77%	0.768	S	S	*	*				61.8	171.4	126.8	-55.4	0	0	0	0	121
579	P	33.2	Very low	28.9	Very low	109 Å²	109	134 Å²	134	71%	0.708	77%	0.765	S	S	*	*			cis	-128.6	-179.5	-17.4	33.9	-14.2	0	0	0	114.8
580	T	26.6	Very low	28.8	Very low	140 Å²	140	136.9 Å²	136.9	86%	0.859	77%	0.771	S	S	*	*			trans	44.3	127.9	148.5	50.7	0	0	0	0	122.7
581	G	31.1	Very low	28.7	Very low	79 Å²	79	137.5 Å²	137.5	81%	0.814	77%	0.766	S	S	*	*			trans	-164.9	125.4	156.8	0	0	0	0	0	113.1
582	Q	26.6	Very low	28.7	Very low	187 Å²	187	137 Å²	137	87%	0.874	77%	0.765	S	S	*	*			trans	-106.6	138.2	173.5	-64.6	174.9	-63.4	0	0	110.4
583	N	28.4	Very low	28.8	Very low	152 Å²	152	136.8 Å²	136.8	81%	0.813	76%	0.763	S	S	*	*			trans	172.8	131	142.8	-88.6	-31.7	0	0	0	107.5
584	S	26.1	Very low	28.6	Very low	88 Å²	88	136.6 Å²	136.6	62%	0.615	76%	0.763	S	S	*	*			cis	95.3	128.1	37.2	84.1	0	0	0	0	113.6
585	N	25.8	Very low	28.7	Very low	135 Å²	135	138.1 Å²	138.1	72%	0.722	77%	0.768	S	S	*	*			trans	46.5	120.7	160.7	-55.5	-1	0	0	0	121.3
586	N	33	Very low	28.5	Very low	160 Å²	160	137.9 Å²	137.9	86%	0.856	77%	0.769	S	S	*	*				-160.8	115	124	-84.4	-49.1	0	0	0	106.1
587	D	28.4	Very low	28.5	Very low	115 Å²	115	138 Å²	138	62%	0.615	77%	0.767	S	S	*	*				68.7	140.4	66.6	-88.1	-56.8	0	0	0	115.4
588	N	34	Very low	28.4	Very low	162 Å²	162	139.2 Å²	139.2	87%	0.866	77%	0.774	S	S	*	*			trans	103.5	90.2	-164.2	-62.7	-34.6	0	0	0	112.2
589	R	26.3	Very low	28.6	Very low	195 Å²	195	138 Å²	138	74%	0.736	77%	0.771	S	S	*	*			cis	72.6	85.4	17.4	-161.6	-176.7	-173.3	177.5	3.2	116.3
590	I	31.1	Very low	28.4	Very low	160 Å²	160	139.1 Å²	139.1	82%	0.821	77%	0.771	S	S	*	*			trans	-166.7	113.4	147.6	-91.2	141.8	0	0	0	103.5
591	M	27.5	Very low	28.4	Very low	145 Å²	145	140 Å²	140	71%	0.714	77%	0.77	S	S	*	*				94.6	142.6	54	-82.6	-178.9	150	0	0	114.1
592	N	30	Very low	28.3	Very low	141 Å²	141	143.8 Å²	143.8	75%	0.754	77%	0.772	S	S	*	*			trans	80.6	77.2	168.5	-60.8	6.8	0	0	0	119.3
593	D	27.1	Very low	28.6	Very low	140 Å²	140	139.8 Å²	139.8	75%	0.749	76%	0.76	S	S	*	*				39.8	132.1	101.6	-58.8	-0.6	0	0	0	122.2
594	N	25.6	Very low	28.8	Very low	150 Å²	150	139.8 Å²	139.8	80%	0.802	76%	0.757	S	S	*	*			trans	78.9	160.7	137	-79.1	-41.8	0	0	0	122.3
595	V	30.4	Very low	29.2	Very low	129 Å²	129	145.3 Å²	145.3	78%	0.782	77%	0.766	S	S	*	*			trans	72.2	91.6	174.1	-163.9	0	0	0	0	114
596	N	25.3	Very low	30.1	Very low	143 Å²	143	142.2 Å²	142.2	77%	0.765	75%	0.748	S	S	*	*				80.5	154.4	67.9	-169.8	27.2	0	0	0	114.1
597	T	28.9	Very low	30.8	Very low	117 Å²	117	137.8 Å²	137.8	72%	0.718	73%	0.727	S	S	*	*			trans	84.9	149.2	171	74	0	0	0	0	119.8
598	N	24.4	Very low	31.7	Very low	162 Å²	162	137.4 Å²	137.4	87%	0.866	73%	0.731	S	S	*	*			trans	-68.2	131	-174.2	-59.7	-35.3	0	0	0	113.7
599	A	30.4	Very low	33	Very low	89 Å²	89	133.7 Å²	133.7	74%	0.736	72%	0.718	S	S	*	*			trans	-149.7	102.8	150.7	0	0	0	0	0	108.9
600	N	28.9	Very low	34.3	Very low	132 Å²	132	129 Å²	129	71%	0.706	70%	0.704	S	S	*	*				60.8	98.8	90.6	-74.3	-11.3	0	0	0	114.7	N602	N600-N602 PolarHBondContact O-N 3.07Å
601	N	26.9	Very low	35.5	Very low	158 Å²	158	123 Å²	123	85%	0.845	67%	0.674	S	S	*	*			trans	20.8	65.9	136	-62.1	-6.5	0	0	0	118.2	V603	N601-V603 PolarHBondContact O-N 2.93Å
602	N	29.9	Very low	36.6	Very low	159 Å²	159	122.3 Å²	122.3	85%	0.85	67%	0.669	S	S	*	*			trans	-78.8	52.7	167.3	-83.3	-20.6	0	0	0	112.4	N600 M604	N600-N602 PolarHBondContact O-N 3.07Å; N602-M604 PolarHBondContact O-N 3.37Å
603	V	32.8	Very low	38	Very low	104 Å²	104	121.5 Å²	121.5	63%	0.63	66%	0.66	S	S	*	*			trans	-89.5	90.7	159.8	-179.7	0	0	0	0	106.8	N601 Y605	N601-V603 PolarHBondContact O-N 2.93Å; V603-Y605 WeakPolarHBondContact O-CD2 3.38Å; V603-Y605 PolarHBondContact O-N 2.83Å; V603-Y605 VanDerWaalsContact O-N 3.16Å
604	M	31.3	Very low	39.2	Very low	151 Å²	151	116.7 Å²	116.7	74%	0.744	64%	0.64	S	S	*	*			trans	-66.1	109.4	175.1	-89.6	-86.8	-77.5	0	0	110.1	N602 I606	N602-M604 PolarHBondContact O-N 3.37Å; M604-I606 HydrophobicContact CE-CG1 4.47Å; M604-I606 PolarHBondContact O-N 2.94Å
605	Y	34.5	Very low	40.6	Very low	205 Å²	205	114.9 Å²	114.9	80%	0.804	63%	0.629	S	S	*	*			trans	-72.1	80.6	170.3	-66.6	-82.8	0	0	0	110.2	V603	V603-Y605 WeakPolarHBondContact O-CD2 3.38Å; V603-Y605 PolarHBondContact O-N 2.83Å; V603-Y605 VanDerWaalsContact O-N 3.16Å
606	I	45	Very low	41.9	Very low	70 Å²	70	116.3 Å²	116.3	36%	0.359	63%	0.625	S	S	.	*			trans	-80.8	130	174.8	-110.9	179.3	0	0	0	109.5	M604 Q610 L611	M604-I606 HydrophobicContact CE-CG1 4.47Å; M604-I606 PolarHBondContact O-N 2.94Å; I606-Q610 HydrophobicContact CD1-CB 4.44Å; I606-Q610 HydrophobicContact CG1-CB 3.94Å; I606-Q610 HydrophobicContact CG2-CB 4.5Å; I606-L611 HydrophobicContact CG2-CB 3.63Å; I606-L611 HydrophobicContact CG2-CD1 4.05Å; I606-L611 HydrophobicContact CG2-CG 4.4Å
607	T	47.9	Very low	43.3	Very low	67 Å²	67	116.3 Å²	116.3	41%	0.411	62%	0.623	S	S	.	*			trans	-71.3	155.2	171.5	60.1	0	0	0	0	110.7	S609 Q610 L611	T607-S609 PolarHBondContact O-N 3.06Å; T607-S609 VanDerWaalsContact O-N 3.08Å; T607-Q610 PolarHBondContact O-N 3.07Å; T607-Q610 VanDerWaalsContact OG1-CD 3.25Å; T607-Q610 WeakPolarHBondContact OG1-CG 3.39Å; T607-Q610 PolarHBondContact OG1-N 2.76Å; T607-Q610 PolarHBondContact OG1-OE1 3.39Å; T607-L611 PolarHBondContact O-N 2.83Å
608	P	48.3	Very low	43.8	Very low	106 Å²	106	115.7 Å²	115.7	69%	0.688	62%	0.615	S	S	*	*	H	α-helix	trans	-53.2	-32.6	176.7	-28.6	36.2	0	0	0	114	Q612	P608-Q612 PolarHBondContact O-N 3.11Å; P608-Q612 VanDerWaalsContact O-N 3.13Å
609	S	60.6	Low	44.7	Very low	85 Å²	85	113 Å²	113	59%	0.594	61%	0.61	S	S	*	*	H	α-helix	trans	-67.7	-45.4	174.9	-47.2	0	0	0	0	112.6	T607 L611 Q612 E613	T607-S609 PolarHBondContact O-N 3.06Å; T607-S609 VanDerWaalsContact O-N 3.08Å; S609-L611 VanDerWaalsContact C-N 3.31Å; S609-L611 PolarHBondContact O-N 3.4Å; S609-Q612 WeakPolarHBondContact O-CB 3.44Å; S609-Q612 PolarHBondContact O-N 2.85Å; S609-E613 PolarHBondContact O-N 3.34Å
610	Q	54.6	Low	45.3	Very low	96 Å²	96	115.1 Å²	115.1	45%	0.449	61%	0.609	S	S	.	*	H	α-helix	trans	-67.4	-33	176.3	-70.5	161.5	-43.1	0	0	111.8	I606 T607 Q612 E613 A614	I606-Q610 HydrophobicContact CD1-CB 4.44Å; I606-Q610 HydrophobicContact CG1-CB 3.94Å; I606-Q610 HydrophobicContact CG2-CB 4.5Å; T607-Q610 PolarHBondContact O-N 3.07Å; T607-Q610 VanDerWaalsContact OG1-CD 3.25Å; T607-Q610 WeakPolarHBondContact OG1-CG 3.39Å; T607-Q610 PolarHBondContact OG1-N 2.76Å; T607-Q610 PolarHBondContact OG1-OE1 3.39Å; Q610-Q612 VanDerWaalsContact C-N 3.33Å; Q610-E613 PolarHBondContact O-N 2.86Å; Q610-A614 PolarHBondContact O-N 3.05Å
611	L	54.8	Low	45.8	Very low	34 Å²	34	113.3 Å²	113.3	18%	0.178	60%	0.602	C	S	.	*	H	α-helix	trans	-61.7	-42.1	172.4	-172.6	68.7	0	0	0	111.1	I606 T607 S609 E613 A614 I615 M623 L625	I606-L611 HydrophobicContact CG2-CB 3.63Å; I606-L611 HydrophobicContact CG2-CD1 4.05Å; I606-L611 HydrophobicContact CG2-CG 4.4Å; T607-L611 PolarHBondContact O-N 2.83Å; S609-L611 VanDerWaalsContact C-N 3.31Å; S609-L611 PolarHBondContact O-N 3.4Å; L611-E613 VanDerWaalsContact C-N 3.27Å; L611-E613 PolarHBondContact O-N 2.8Å; L611-A614 PolarHBondContact O-N 3.36Å; L611-I615 HydrophobicContact CD1-CD1 4.26Å; L611-I615 HydrophobicContact CD2-CD1 4.42Å; L611-I615 HydrophobicContact CG-CD1 3.85Å; L611-I615 WeakPolarHBondContact O-CB 3.26Å; L611-I615 VanDerWaalsContact O-CG1 3.29Å; L611-I615 WeakPolarHBondContact O-CG1 3.42Å; L611-I615 PolarHBondContact O-N 3.47Å; L611-M623 HydrophobicContact CD1-SD 4.36Å; L611-L625 HydrophobicContact CD1-CD1 4.25Å; L611-L625 HydrophobicContact CD1-CD2 3.94Å; L611-L625 HydrophobicContact CD2-CD1 3.72Å; L611-L625 HydrophobicContact CD2-CD2 4.34Å
612	Q	50.8	Low	46.3	Very low	131 Å²	131	111.9 Å²	111.9	61%	0.612	60%	0.601	S	S	*	*	H	α-helix	trans	-65.6	-25	175.6	-79.8	-170.5	-7.9	0	0	113.8	P608 S609 Q610 K616	P608-Q612 PolarHBondContact O-N 3.11Å; P608-Q612 VanDerWaalsContact O-N 3.13Å; S609-Q612 WeakPolarHBondContact O-CB 3.44Å; S609-Q612 PolarHBondContact O-N 2.85Å; Q610-Q612 VanDerWaalsContact C-N 3.33Å; Q612-K616 WeakPolarHBondContact O-CD 3.38Å; Q612-K616 WeakPolarHBondContact O-CE 3.14Å; Q612-K616 VanDerWaalsContact O-CG 3.26Å; Q612-K616 WeakPolarHBondContact O-CG 3.44Å
613	E	59.1	Low	46.8	Very low	123 Å²	123	110.2 Å²	110.2	58%	0.575	59%	0.59	S	S	*	*	H	α-helix	trans	-80.5	-43.1	171.2	-64.8	-162.5	139.6	0	0	111.8	S609 Q610 L611 I615 K616 I617	S609-E613 PolarHBondContact O-N 3.34Å; Q610-E613 PolarHBondContact O-N 2.86Å; L611-E613 VanDerWaalsContact C-N 3.27Å; L611-E613 PolarHBondContact O-N 2.8Å; E613-I615 VanDerWaalsContact C-N 3.32Å; E613-I615 PolarHBondContact O-N 2.93Å; E613-K616 WeakPolarHBondContact O-CB 3.44Å; E613-K616 PolarHBondContact O-N 3.21Å; E613-K616 VanDerWaalsContact O-N 3.09Å; E613-I617 WeakPolarHBondContact O-CD1 3.3Å; E613-I617 WeakPolarHBondContact O-CG1 3.33Å; E613-I617 PolarHBondContact O-N 3Å
614	A	53.5	Low	47	Very low	39 Å²	39	111.7 Å²	111.7	32%	0.322	59%	0.593	S	S	.	*	H	α-helix	trans	-57.4	-43.1	175.9	0	0	0	0	0	112.5	Q610 L611 K616 I617 N618	Q610-A614 PolarHBondContact O-N 3.05Å; L611-A614 PolarHBondContact O-N 3.36Å; A614-K616 VanDerWaalsContact C-N 3.28Å; A614-K616 PolarHBondContact O-N 3.3Å; A614-I617 PolarHBondContact O-N 2.79Å; A614-I617 VanDerWaalsContact O-N 3.14Å; A614-N618 PolarHBondContact O-N 3.07Å
615	I	55.5	Low	47.1	Very low	112 Å²	112	109.5 Å²	109.5	57%	0.574	58%	0.584	S	S	*	*	H	α-helix	trans	-65.4	-27.8	178.2	-69.9	170.1	0	0	0	112.5	L611 E613 I617	L611-I615 HydrophobicContact CD1-CD1 4.26Å; L611-I615 HydrophobicContact CD2-CD1 4.42Å; L611-I615 HydrophobicContact CG-CD1 3.85Å; L611-I615 WeakPolarHBondContact O-CB 3.26Å; L611-I615 VanDerWaalsContact O-CG1 3.29Å; L611-I615 WeakPolarHBondContact O-CG1 3.42Å; L611-I615 PolarHBondContact O-N 3.47Å; E613-I615 VanDerWaalsContact C-N 3.32Å; E613-I615 PolarHBondContact O-N 2.93Å; I615-I617 VanDerWaalsContact C-N 3.29Å; I615-I617 PolarHBondContact O-N 3.21Å
616	K	57.2	Low	47	Very low	160 Å²	160	105.3 Å²	105.3	70%	0.696	57%	0.574	S	S	*	*	H	α-helix	trans	-74	-18.2	175.3	-71.9	167	-171.2	169.5	0	113.5	Q612 E613 A614	Q612-K616 WeakPolarHBondContact O-CD 3.38Å; Q612-K616 WeakPolarHBondContact O-CE 3.14Å; Q612-K616 VanDerWaalsContact O-CG 3.26Å; Q612-K616 WeakPolarHBondContact O-CG 3.44Å; E613-K616 WeakPolarHBondContact O-CB 3.44Å; E613-K616 PolarHBondContact O-N 3.21Å; E613-K616 VanDerWaalsContact O-N 3.09Å; A614-K616 VanDerWaalsContact C-N 3.28Å; A614-K616 PolarHBondContact O-N 3.3Å
617	I	53.3	Low	46.4	Very low	143 Å²	143	107.2 Å²	107.2	73%	0.733	59%	0.591	S	S	*	*	H	α-helix	trans	-99.7	-29.9	-168.2	-66.9	167.2	0	0	0	112.5	E613 A614 I615	E613-I617 WeakPolarHBondContact O-CD1 3.3Å; E613-I617 WeakPolarHBondContact O-CG1 3.33Å; E613-I617 PolarHBondContact O-N 3Å; A614-I617 PolarHBondContact O-N 2.79Å; A614-I617 VanDerWaalsContact O-N 3.14Å; I615-I617 VanDerWaalsContact C-N 3.29Å; I615-I617 PolarHBondContact O-N 3.21Å
618	N	39.8	Very low	45.7	Very low	103 Å²	103	109.9 Å²	109.9	55%	0.551	61%	0.607	S	S	*	*			trans	-150.2	110	-175.9	-159.5	-15.8	0	0	0	113.3	A614	A614-N618 PolarHBondContact O-N 3.07Å
619	S	43.1	Very low	45	Very low	107 Å²	107	109 Å²	109	75%	0.748	60%	0.601	S	S	*	*	S	Bend	trans	-84.7	-9.6	-173.3	55.4	0	0	0	0	115.4
620	N	44.1	Very low	43.6	Very low	133 Å²	133	111.9 Å²	111.9	71%	0.711	61%	0.61	S	S	*	*	S	Bend	trans	-111	19.5	-159.3	-67.7	4.4	0	0	0	114.7
621	V	40	Very low	42.2	Very low	94 Å²	94	113.1 Å²	113.1	57%	0.57	62%	0.619	S	S	*	*	S	Bend	trans	-122.1	119.5	178.9	-175.8	0	0	0	0	110.5	M623	V621-M623 PolarHBondContact O-N 3Å
622	P	36.6	Very low	40.9	Very low	128 Å²	128	121.8 Å²	121.8	83%	0.831	65%	0.651	S	S	*	*			trans	-71.8	102.8	176.5	28.8	-33.2	0	0	0	110.5
623	M	39.6	Very low	39.9	Very low	123 Å²	123	121 Å²	121	61%	0.606	66%	0.659	S	S	*	*			trans	-98.9	125.8	-177.8	-165.5	-179.3	-61.6	0	0	110.9	L611 V621	L611-M623 HydrophobicContact CD1-SD 4.36Å; V621-M623 PolarHBondContact O-N 3Å
624	I	37.6	Very low	38.5	Very low	135 Å²	135	121.8 Å²	121.8	69%	0.692	67%	0.668	S	S	*	*			trans	-95.7	115.5	177.7	-58.5	176.5	0	0	0	109.1	I626	I624-I626 HydrophobicContact CG2-CG1 4.19Å
625	L	33	Very low	37.3	Very low	105 Å²	105	126.2 Å²	126.2	55%	0.55	69%	0.686	S	S	.	*			trans	-95.3	139.7	174.1	-63.6	166.8	0	0	0	109.9	L611	L611-L625 HydrophobicContact CD1-CD1 4.25Å; L611-L625 HydrophobicContact CD1-CD2 3.94Å; L611-L625 HydrophobicContact CD2-CD1 3.72Å; L611-L625 HydrophobicContact CD2-CD2 4.34Å
626	I	32.8	Very low	36.1	Very low	117 Å²	117	128.6 Å²	128.6	60%	0.6	70%	0.7	S	S	*	*			trans	-133.5	115.7	179.7	-56.8	-179.7	0	0	0	108.4	I624	I624-I626 HydrophobicContact CG2-CG1 4.19Å
627	P	32	Very low	34.7	Very low	110 Å²	110	125 Å²	125	71%	0.714	70%	0.695	S	S	*	*			trans	-70.5	135.8	178.5	-20.6	33.5	0	0	0	113.7
628	V	32.4	Very low	33.4	Very low	123 Å²	123	125.3 Å²	125.3	75%	0.745	70%	0.698	S	S	*	*			trans	-158.7	155.3	165.6	-97.7	0	0	0	0	107.7
629	P	34.1	Very low	32.8	Very low	88 Å²	88	128.9 Å²	128.9	57%	0.571	71%	0.714	S	S	*	*			cis	-129.9	-166.7	-6.7	31.9	-9.4	0	0	0	112.3	L631	P629-L631 HydrophobicContact CB-CD1 4.07Å; P629-L631 HydrophobicContact CB-CG 4.49Å; P629-L631 HydrophobicContact CG-CD1 4.47Å
630	N	31.1	Very low	32.1	Very low	145 Å²	145	129 Å²	129	78%	0.775	72%	0.715	S	S	*	*			trans	152.6	112.9	132.4	-74.7	-23.6	0	0	0	109.4
631	L	26.7	Very low	31.1	Very low	122 Å²	122	127.4 Å²	127.4	64%	0.639	72%	0.72	S	S	*	*			cis	84.4	116.6	35.4	-58	171.5	0	0	0	115.3	P629	P629-L631 HydrophobicContact CB-CD1 4.07Å; P629-L631 HydrophobicContact CB-CG 4.49Å; P629-L631 HydrophobicContact CG-CD1 4.47Å
632	Y	27.1	Very low	30.6	Very low	216 Å²	216	129.5 Å²	129.5	85%	0.847	73%	0.726	S	S	*	*			trans	78.8	151.5	161.8	-59.2	-68.3	0	0	0	121.9
633	S	29.5	Very low	30.1	Very low	114 Å²	114	129.1 Å²	129.1	80%	0.797	72%	0.717	S	S	*	*			trans	71.1	133.9	170.9	-91.5	0	0	0	0	119
634	N	29.8	Very low	29.5	Very low	140 Å²	140	132 Å²	132	75%	0.749	72%	0.722	S	S	*	*			cis	-154.5	176.2	-15	-155	-5.5	0	0	0	111.2
635	N	27.8	Very low	29	Very low	133 Å²	133	130.4 Å²	130.4	71%	0.711	72%	0.723	S	S	*	*			trans	-92.9	155.7	-167.7	-55.9	-88.4	0	0	0	114.6
636	N	29.9	Very low	28.8	Very low	162 Å²	162	132.3 Å²	132.3	87%	0.866	73%	0.733	S	S	*	*				167.5	138.8	129.5	-84.5	-14.7	0	0	0	109.8
637	S	28.9	Very low	28.5	Very low	84 Å²	84	132.7 Å²	132.7	59%	0.587	74%	0.736	S	S	*	*			cis	-155.4	170.9	-17.1	61.4	0	0	0	0	109.1
638	D	26.2	Very low	28.4	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	74%	0.739	S	S	*	*			trans	55.6	102.3	162.9	-45.1	-54.6	0	0	0	117.2
639	M	26.3	Very low	28.3	Very low	177 Å²	177	136 Å²	136	87%	0.872	74%	0.742	S	S	*	*	S	Bend	cis	-160.9	133.9	46.5	-148.5	-178.8	-171	0	0	113.1
640	S	27.8	Very low	28	Very low	110 Å²	110	136.4 Å²	136.4	77%	0.769	74%	0.744	S	S	*	*			trans	35.8	91.4	159.8	62.7	0	0	0	0	119.1
641	A	24.5	Very low	28	Very low	100 Å²	100	136.2 Å²	136.2	83%	0.826	74%	0.743	S	S	*	*			trans	-78	155.5	162.2	0	0	0	0	0	112.2
642	I	28.7	Very low	28.3	Very low	137 Å²	137	136.9 Å²	136.9	70%	0.703	75%	0.752	S	S	*	*			trans	-117	118.3	161.8	-65.8	178.1	0	0	0	108
643	N	26.1	Very low	28.4	Very low	120 Å²	120	134.5 Å²	134.5	64%	0.642	75%	0.754	S	S	*	*			trans	-80	129.4	-179.5	-178.6	-12.9	0	0	0	110.4	S645	N643-S645 WeakPolarHBondContact OD1-CB 3.13Å; N643-S645 PolarHBondContact OD1-N 2.81Å; N643-S645 PolarHBondContact OD1-OG 2.62Å
644	W	28.4	Very low	28.4	Very low	185 Å²	185	132.5 Å²	132.5	70%	0.701	75%	0.752	S	S	*	*			trans	-105	5.8	-176.6	-77.8	93.8	0	0	0	114.7
645	S	27	Very low	28.4	Very low	101 Å²	101	130.6 Å²	130.6	71%	0.706	76%	0.756	S	S	*	*			trans	-94.2	8.3	-166.8	-55.9	0	0	0	0	116.4	N643	N643-S645 WeakPolarHBondContact OD1-CB 3.13Å; N643-S645 PolarHBondContact OD1-N 2.81Å; N643-S645 PolarHBondContact OD1-OG 2.62Å
646	N	27.5	Very low	28.5	Very low	145 Å²	145	131.8 Å²	131.8	78%	0.775	76%	0.757	S	S	*	*	S	Bend	trans	-123.3	31.2	-168.4	-89.4	-6.3	0	0	0	115.5
647	L	27.1	Very low	28.4	Very low	124 Å²	124	131.4 Å²	131.4	65%	0.649	75%	0.754	S	S	*	*	S	Bend	trans	-137	147	169.8	-81.1	170.8	0	0	0	111.2
648	I	29.3	Very low	28.5	Very low	153 Å²	153	130.6 Å²	130.6	79%	0.785	75%	0.753	S	S	*	*			trans	73.7	74.1	-176.8	-42.5	172.4	0	0	0	113.9
649	N	30.3	Very low	28.6	Very low	151 Å²	151	134.4 Å²	134.4	81%	0.807	76%	0.756	S	S	*	*			trans	-148.5	100.5	146.3	-164	27.3	0	0	0	110.6
650	P	27.7	Very low	29.1	Very low	96 Å²	96	132 Å²	132	62%	0.623	75%	0.752	S	S	*	*			trans	-92.3	140.5	177.8	34	-30.7	0	0	0	112.5
651	N	32	Very low	29.4	Very low	141 Å²	141	132.1 Å²	132.1	75%	0.754	75%	0.75	S	S	*	*			trans	70	134.7	-176.8	-42.7	-39	0	0	0	112.8
652	T	32.1	Very low	29.8	Very low	135 Å²	135	134.6 Å²	134.6	83%	0.828	75%	0.749	S	S	*	*			cis	-147.8	156.6	36.2	34	0	0	0	0	114.9
653	N	29.6	Very low	30.1	Very low	166 Å²	166	132.4 Å²	132.4	89%	0.888	74%	0.744	S	S	*	*			trans	-45.2	154.3	-178.1	-44.6	-27.4	0	0	0	118.8
654	G	28.8	Very low	30.4	Very low	73 Å²	73	134 Å²	134	75%	0.753	75%	0.752	S	S	*	*			trans	-179.5	122.3	155.3	0	0	0	0	0	114.6
655	A	31.7	Very low	30.7	Very low	99 Å²	99	129.2 Å²	129.2	82%	0.818	75%	0.752	S	S	*	*			trans	64.5	146.6	170.9	0	0	0	0	0	118.3
656	E	28.3	Very low	30.9	Very low	159 Å²	159	133 Å²	133	74%	0.743	76%	0.763	S	S	*	*			cis	-168.7	147.5	-15.3	170.2	166.4	-173.4	0	0	111
657	L	28.7	Very low	31.1	Very low	153 Å²	153	129.4 Å²	129.4	80%	0.801	76%	0.76	S	S	*	*			trans	59.3	140	165.5	-73.6	166.9	0	0	0	119.2
658	A	30.8	Very low	31.5	Very low	68 Å²	68	129.8 Å²	129.8	56%	0.562	77%	0.77	S	S	*	*			cis	-167.5	158.1	-3.6	0	0	0	0	0	113.2
659	R	29.1	Very low	31.3	Very low	229 Å²	229	125.8 Å²	125.8	86%	0.864	77%	0.767	S	S	*	*			trans	65.8	145.9	159.4	-60.6	178.2	-141.2	-124.2	0.8	117.3
660	T	35.2	Very low	31.3	Very low	128 Å²	128	131.3 Å²	131.3	79%	0.785	78%	0.777	S	S	*	*			cis	-153.4	161.1	-6.7	8.4	0	0	0	0	109.6
661	P	34.5	Very low	31.4	Very low	112 Å²	112	136.3 Å²	136.3	73%	0.727	79%	0.789	S	S	*	*			trans	-107.1	170.5	-166.9	41.2	-35.4	0	0	0	115.3
662	N	34.1	Very low	31.2	Very low	151 Å²	151	135.4 Å²	135.4	81%	0.807	79%	0.791	S	S	*	*				-158.5	155.1	125.1	-136.3	42.2	0	0	0	112.2
663	P	33.6	Very low	31.1	Very low	92 Å²	92	133.5 Å²	133.5	60%	0.597	79%	0.788	S	S	*	*			trans	-109.5	179	-177.7	41.4	-32.9	0	0	0	113.9
664	D	32.2	Very low	31.3	Very low	153 Å²	153	130.9 Å²	130.9	82%	0.818	78%	0.78	S	S	*	*				168.8	167.9	122.1	-91.3	-33.1	0	0	0	114.4
665	A	35.2	Very low	31.1	Very low	84 Å²	84	134.8 Å²	134.8	69%	0.694	78%	0.782	S	S	*	*			trans	75.8	108.1	-177.1	0	0	0	0	0	116.2
666	L	31.7	Very low	31	Very low	180 Å²	180	138.5 Å²	138.5	94%	0.942	79%	0.787	S	S	*	*				68.7	127.1	58.4	-56.8	169	0	0	0	113
667	G	32	Very low	30.8	Very low	70 Å²	70	135.6 Å²	135.6	72%	0.722	79%	0.785	S	S	*	*			cis	-166.5	-171.2	3	0	0	0	0	0	113.1
668	P	35	Very low	31	Very low	132 Å²	132	134.4 Å²	134.4	86%	0.857	78%	0.784	S	S	*	*			trans	-119.6	157.7	-156.4	40.7	-32.2	0	0	0	118.6
669	G	25.7	Very low	30.8	Very low	69 Å²	69	136.2 Å²	136.2	71%	0.711	79%	0.792	S	S	*	*			trans	82.2	124.9	134	0	0	0	0	0	121.2
670	W	30.4	Very low	30.8	Very low	267 Å²	267	129.4 Å²	129.4	100%	1.011	79%	0.786	S	S	*	*			trans	-133.2	164.3	163.5	-82.1	76.9	0	0	0	111.7
671	K	28.7	Very low	30.5	Very low	202 Å²	202	128.9 Å²	128.9	88%	0.878	78%	0.782	S	S	*	*			trans	-113.5	164.5	-154.9	-64.1	178.1	-178.2	176.4	0	115
672	P	28.3	Very low	30.3	Very low	122 Å²	122	132 Å²	132	79%	0.792	79%	0.787	S	S	*	*			trans	-104.2	170.4	-175	40	-36.1	0	0	0	116.3
673	A	30.5	Very low	29.9	Very low	95 Å²	95	128.6 Å²	128.6	79%	0.785	78%	0.78	S	S	*	*			trans	71.8	161.6	165.7	0	0	0	0	0	116.4
674	P	31.9	Very low	29.7	Very low	110 Å²	110	132.7 Å²	132.7	71%	0.714	80%	0.796	S	S	*	*			cis	-141.9	163.4	19.5	43.5	-24.4	0	0	0	120.4
675	I	26.2	Very low	29.4	Very low	156 Å²	156	128.5 Å²	128.5	80%	0.8	79%	0.789	S	S	*	*			trans	30	124.5	135.4	-48.5	164.3	0	0	0	120.5
676	L	29.1	Very low	29	Very low	176 Å²	176	136 Å²	136	92%	0.921	80%	0.801	S	S	*	*			trans	-152	169.3	131.5	-115.6	169.6	0	0	0	110.1
677	S	24.9	Very low	28.8	Very low	99 Å²	99	130.3 Å²	130.3	69%	0.692	78%	0.776	S	S	*	*			trans	-156.8	132.3	-159.3	170.5	0	0	0	0	115.7
678	T	32.3	Very low	28.5	Very low	128 Å²	128	133.1 Å²	133.1	79%	0.785	78%	0.782	S	S	*	*			trans	-148.5	111.4	159.2	43.1	0	0	0	0	107.9
679	S	26.5	Very low	28.1	Very low	105 Å²	105	134.6 Å²	134.6	73%	0.734	77%	0.772	S	S	*	*				63.8	117.6	73.8	73.1	0	0	0	0	113.2
680	A	29.3	Very low	28.1	Very low	87 Å²	87	137.2 Å²	137.2	72%	0.719	78%	0.776	S	S	*	*			cis	-151.1	-166.5	3.7	0	0	0	0	0	109.3
681	T	28.6	Very low	27.9	Very low	116 Å²	116	131.1 Å²	131.1	71%	0.712	76%	0.757	S	S	*	*			cis	-156.7	-172.2	16.7	-23.9	0	0	0	0	111.4
682	E	29.7	Very low	27.7	Very low	177 Å²	177	129 Å²	129	83%	0.827	76%	0.755	S	S	*	*			trans	-19.9	150.4	162.8	-72.8	149	-144.4	0	0	120.9
683	A	25.9	Very low	27.6	Very low	81 Å²	81	131.2 Å²	131.2	67%	0.669	75%	0.749	S	S	*	*			cis	-166.6	163.6	-12.5	0	0	0	0	0	111.5
684	L	30.1	Very low	27.4	Very low	177 Å²	177	131.9 Å²	131.9	93%	0.927	75%	0.745	S	S	*	*			trans	60.8	103.5	172.6	-47.6	177.3	0	0	0	115.5
685	G	24.7	Very low	27.2	Very low	66 Å²	66	130.5 Å²	130.5	68%	0.68	73%	0.734	S	S	*	*			cis	111	96.1	-1.6	0	0	0	0	0	114.1
686	Y	28	Very low	27.4	Very low	242 Å²	242	127.5 Å²	127.5	95%	0.949	72%	0.717	S	S	*	*			trans	-165.7	145.4	145.1	-103.5	-64.5	0	0	0	113.1
687	S	26.3	Very low	27.5	Very low	59 Å²	59	123.7 Å²	123.7	41%	0.413	70%	0.696	S	S	.	*			trans	-29.5	138.6	-177.4	-170.6	0	0	0	0	120.5	Y689	S687-Y689 VanDerWaalsContact CB-CE2 3.42Å; S687-Y689 PolarHBondContact O-N 2.98Å; S687-Y689 WeakPolarHBondContact OG-CD2 3.27Å; S687-Y689 WeakPolarHBondContact OG-CE2 3.15Å
688	P	26.8	Very low	27.9	Very low	129 Å²	129	125.6 Å²	125.6	84%	0.838	69%	0.693	S	S	*	*			trans	-80	87.9	164.6	34.6	-32.8	0	0	0	111.7
689	Y	25.8	Very low	28.2	Very low	164 Å²	164	121.8 Å²	121.8	64%	0.643	67%	0.67	S	S	*	*			trans	-84.7	138.9	169.5	-72.8	-73.4	0	0	0	111.7	S687 F691	S687-Y689 VanDerWaalsContact CB-CE2 3.42Å; S687-Y689 PolarHBondContact O-N 2.98Å; S687-Y689 WeakPolarHBondContact OG-CD2 3.27Å; S687-Y689 WeakPolarHBondContact OG-CE2 3.15Å; Y689-F691 PolarHBondContact O-N 3.38Å
690	P	25.7	Very low	28.7	Very low	123 Å²	123	118 Å²	118	80%	0.799	64%	0.641	S	S	*	*			trans	-76.8	85.5	176.5	31.9	-34.3	0	0	0	110.4	N692	P690-N692 PolarHBondContact O-N 2.93Å
691	F	27.2	Very low	29.5	Very low	140 Å²	140	116.2 Å²	116.2	61%	0.614	62%	0.621	S	S	*	*			trans	-72.1	109.1	179.2	-85.9	-85	0	0	0	112	Y689 Y693	Y689-F691 PolarHBondContact O-N 3.38Å; F691-Y693 HydrophobicContact CB-CD2 3.92Å; F691-Y693 HydrophobicContact CB-CE2 3.37Å; F691-Y693 HydrophobicContact CG-CE2 4.25Å; F691-Y693 WeakPolarHBondContact O-CD2 3.26Å; F691-Y693 PolarHBondContact O-N 3.22Å
692	N	24.1	Very low	30.1	Very low	156 Å²	156	114.6 Å²	114.6	83%	0.834	60%	0.602	S	S	*	*			trans	-59	115.1	157.7	-80.6	-31.2	0	0	0	109.2	P690 P694	P690-N692 PolarHBondContact O-N 2.93Å; N692-P694 WeakPolarHBondContact O-CD 3.37Å
693	Y	25.9	Very low	30.8	Very low	169 Å²	169	111 Å²	111	66%	0.663	59%	0.585	S	S	*	*			trans	-109.2	96.8	170.2	-74.2	-73.6	0	0	0	110.3	F691 T695	F691-Y693 HydrophobicContact CB-CD2 3.92Å; F691-Y693 HydrophobicContact CB-CE2 3.37Å; F691-Y693 HydrophobicContact CG-CE2 4.25Å; F691-Y693 WeakPolarHBondContact O-CD2 3.26Å; F691-Y693 PolarHBondContact O-N 3.22Å; Y693-T695 PolarHBondContact O-N 2.95Å
694	P	26.3	Very low	31.7	Very low	109 Å²	109	107.2 Å²	107.2	71%	0.708	55%	0.554	S	S	*	*			trans	-80.7	68	174.8	34.3	-35.1	0	0	0	110.8	N692	N692-P694 WeakPolarHBondContact O-CD 3.37Å
695	T	28.2	Very low	32.6	Very low	81 Å²	81	104.4 Å²	104.4	50%	0.497	53%	0.531	S	S	.	.			trans	-124.3	61.5	-175.5	58.7	0	0	0	0	111.6	E26 Y693	E26-T695 WeakPolarHBondContact OE2-CA 3.47Å; Y693-T695 PolarHBondContact O-N 2.95Å
696	H	31.2	Very low	33.6	Very low	94 Å²	94	102.1 Å²	102.1	44%	0.435	50%	0.503	S	S	.	.			trans	-160.3	14.8	178.7	-135.6	-89.6	0	0	0	113.6	E26 H251 H698 T699	E26-H696 PolarHBondContact OE2-N 3.46Å; H251-H696 AromaticContact CG-CE1 3.96Å; H251-H696 AromaticContact ND1-CE1 3.23Å; H251-H696 PolarHBondContact ND1-CE1 3.48Å; H251-H696 AromaticContact ND1-ND1 3.58Å; H251-H696 AromaticContact ND1-NE2 3.5Å; H696-H698 VanDerWaalsContact C-N 3.32Å; H696-H698 PolarHBondContact O-N 2.67Å; H696-T699 PolarHBondContact O-OG1 3.21Å
697	M	29.2	Very low	34.5	Very low	95 Å²	95	92 Å²	92	47%	0.468	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	10.6	-161.8	-88.4	-75	-77.1	0	0	115.3
698	H	33.7	Very low	35.4	Very low	139 Å²	139	89.8 Å²	89.8	64%	0.644	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-7.8	-175.8	-74.3	94.7	0	0	0	115.2	E26 H696	E26-H698 IonicContact OE1-CE1 3.31Å; E26-H698 IonicContact OE1-ND1 3.49Å; E26-H698 PolarHBondContact OE1-ND1 2.81Å; H696-H698 VanDerWaalsContact C-N 3.32Å; H696-H698 PolarHBondContact O-N 2.67Å
699	T	38.9	Very low	36.2	Very low	48 Å²	48	85.9 Å²	85.9	29%	0.294	42%	0.422	S	S	.	.			trans	-91.2	-4.9	-176.4	27.3	0	0	0	0	115.8	H696 T701	H696-T699 PolarHBondContact O-OG1 3.21Å; T699-T701 PolarHBondContact O-N 3.18Å; T699-T701 VanDerWaalsContact O-N 3.12Å
700	M	36.7	Very low	37.3	Very low	27 Å²	27	83.8 Å²	83.8	13%	0.133	42%	0.416	C	S	.	.	S	Bend	trans	-68.1	110	160.6	-144.6	-161.6	-39	0	0	107.2	I256 R702 L704 R705 L708	I256-M700 HydrophobicContact CD1-CE 3.47Å; I256-M700 VanDerWaalsContact CD1-CE 3.47Å; I256-M700 HydrophobicContact CD1-SD 4.03Å; M700-R702 PolarHBondContact O-N 3.37Å; M700-L704 HydrophobicContact CG-CD2 4.14Å; M700-R705 HydrophobicContact CE-CG 4.19Å; M700-R705 HydrophobicContact SD-CB 3.95Å; M700-R705 HydrophobicContact SD-CG 3.84Å; M700-L708 HydrophobicContact SD-CD1 4.17Å
701	T	46.2	Very low	38	Very low	49 Å²	49	81.6 Å²	81.6	30%	0.301	40%	0.396	S	S	.	.			trans	-55.1	138.8	176.6	59.9	0	0	0	0	108.9	N182 T699 E703 L704 R705	N182-T701 WeakPolarHBondContact ND2-CG2 3.47Å; N182-T701 PolarHBondContact ND2-OG1 2.72Å; T699-T701 PolarHBondContact O-N 3.18Å; T699-T701 VanDerWaalsContact O-N 3.12Å; T701-E703 PolarHBondContact O-N 3.33Å; T701-E703 VanDerWaalsContact O-N 3.11Å; T701-L704 PolarHBondContact O-N 3.29Å; T701-L704 WeakPolarHBondContact OG1-CB 3.47Å; T701-L704 PolarHBondContact OG1-N 2.77Å; T701-R705 PolarHBondContact O-N 3.05Å
702	R	42.1	Very low	38.5	Very low	81 Å²	81	81 Å²	81	31%	0.306	40%	0.395	S	S	.	.	H	α-helix	trans	-53.6	-36.6	-178.2	-169.8	162.6	60.5	57.9	171.7	111.7	N448 V449 L450 M700 R705 E706	N448-R702 PolarHBondContact O-NE 3.45Å; V449-R702 HydrophobicContact CG1-CG 3.82Å; V449-R702 HydrophobicContact CG2-CG 4.37Å; L450-R702 PolarHBondContact O-NH2 3.34Å; M700-R702 PolarHBondContact O-N 3.37Å; R702-R705 WeakPolarHBondContact O-CB 3.05Å; R702-R705 PolarHBondContact O-N 2.88Å; R702-E706 IonicContact NH2-OE1 2.96Å; R702-E706 WeakPolarHBondContact O-CG 3.38Å; R702-E706 PolarHBondContact O-N 3.19Å
703	E	43.8	Very low	39.1	Very low	101 Å²	101	80.9 Å²	80.9	47%	0.472	39%	0.394	S	S	.	.	H	α-helix	trans	-66.6	-38.1	174.6	-175	164.8	-162.4	0	0	114.1	T701 E706 R707	T701-E703 PolarHBondContact O-N 3.33Å; T701-E703 VanDerWaalsContact O-N 3.11Å; E703-E706 WeakPolarHBondContact O-CB 3.26Å; E703-E706 PolarHBondContact O-N 2.61Å; E703-R707 WeakPolarHBondContact O-CG 3.47Å; E703-R707 PolarHBondContact O-N 2.76Å; E703-R707 IonicContact OE1-CZ 2.98Å; E703-R707 IonicContact OE1-NE 3.63Å; E703-R707 IonicContact OE1-NH2 2.76Å; E703-R707 PolarHBondContact OE1-NH2 3.03Å; E703-R707 IonicContact OE2-NH2 2.8Å
704	L	44.7	Very low	39.2	Very low	3 Å²	3	76.6 Å²	76.6	2%	0.016	40%	0.401	C	S	.	.	H	α-helix	trans	-66.6	-40.8	171.5	-172.6	67.2	0	0	0	111.1	N182 I185 I260 M700 T701 E706 R707 L708	N182-L704 WeakPolarHBondContact OD1-CB 3.47Å; N182-L704 WeakPolarHBondContact OD1-CD1 3.46Å; N182-L704 WeakPolarHBondContact OD1-CD2 3.38Å; I185-L704 HydrophobicContact CD1-CD1 3.84Å; I260-L704 HydrophobicContact CD1-CD2 4.44Å; M700-L704 HydrophobicContact CG-CD2 4.14Å; T701-L704 PolarHBondContact O-N 3.29Å; T701-L704 WeakPolarHBondContact OG1-CB 3.47Å; T701-L704 PolarHBondContact OG1-N 2.77Å; L704-E706 PolarHBondContact O-N 2.93Å; L704-R707 PolarHBondContact O-N 3.44Å; L704-R707 VanDerWaalsContact O-N 3.16Å; L704-L708 HydrophobicContact CD1-CD1 4.37Å; L704-L708 HydrophobicContact CD1-CG 4.33Å; L704-L708 HydrophobicContact CD2-CD1 4.23Å; L704-L708 HydrophobicContact CG-CD1 3.81Å; L704-L708 HydrophobicContact CG-CG 4.22Å; L704-L708 WeakPolarHBondContact O-CB 3.37Å; L704-L708 VanDerWaalsContact O-CG 3.26Å; L704-L708 WeakPolarHBondContact O-CG 3.38Å; L704-L708 PolarHBondContact O-N 2.84Å
705	R	48.4	Very low	39.4	Very low	118 Å²	118	75 Å²	75	45%	0.445	40%	0.404	S	S	.	.	H	α-helix	trans	-60.8	-34	175.3	-150.6	173.6	-168.4	171.1	3.4	111.5	M700 T701 R702 S709	M700-R705 HydrophobicContact CE-CG 4.19Å; M700-R705 HydrophobicContact SD-CB 3.95Å; M700-R705 HydrophobicContact SD-CG 3.84Å; T701-R705 PolarHBondContact O-N 3.05Å; R702-R705 WeakPolarHBondContact O-CB 3.05Å; R702-R705 PolarHBondContact O-N 2.88Å; R705-S709 PolarHBondContact O-N 2.95Å; R705-S709 PolarHBondContact O-OG 3.31Å
706	E	47.2	Very low	39.4	Very low	18 Å²	18	74.3 Å²	74.3	8%	0.084	41%	0.413	C	S	.	.	H	α-helix	trans	-67.3	-46.7	170.2	-75.4	-166.8	-139.3	0	0	114	V449 W493 K494 R702 E703 L704 S709 K710	V449-E706 WeakPolarHBondContact CG1-OE1 3.32Å; W493-E706 HydrophobicContact CH2-CG 3.21Å; W493-E706 HydrophobicContact CZ2-CG 3.45Å; W493-E706 VanDerWaalsContact CZ2-CG 3.45Å; W493-E706 HydrophobicContact CZ3-CG 4.38Å; K494-E706 VanDerWaalsContact CE-CD 3.48Å; K494-E706 WeakPolarHBondContact CE-OE1 3.34Å; K494-E706 WeakPolarHBondContact CE-OE2 3.25Å; K494-E706 IonicContact NZ-OE1 2.78Å; K494-E706 PolarHBondContact NZ-OE1 3.44Å; K494-E706 IonicContact NZ-OE2 2.7Å; K494-E706 PolarHBondContact NZ-OE2 3.29Å; R702-E706 IonicContact NH2-OE1 2.96Å; R702-E706 WeakPolarHBondContact O-CG 3.38Å; R702-E706 PolarHBondContact O-N 3.19Å; E703-E706 WeakPolarHBondContact O-CB 3.26Å; E703-E706 PolarHBondContact O-N 2.61Å; L704-E706 PolarHBondContact O-N 2.93Å; E706-S709 PolarHBondContact O-N 3.44Å; E706-S709 PolarHBondContact O-OG 2.87Å; E706-K710 WeakPolarHBondContact O-CB 3.46Å; E706-K710 WeakPolarHBondContact O-CD 3.27Å; E706-K710 VanDerWaalsContact O-CG 3.29Å; E706-K710 WeakPolarHBondContact O-CG 3.41Å; E706-K710 PolarHBondContact O-N 3.4Å; E706-K710 IonicContact OE2-NZ 3.9Å; E706-K710 PolarHBondContact OE2-NZ 3.42Å; E706-K710 VanDerWaalsContact OE2-NZ 3.15Å
707	R	45.3	Very low	39.2	Very low	30 Å²	30	74.6 Å²	74.6	11%	0.113	42%	0.422	C	S	.	.	H	α-helix	trans	-65.4	-42.2	-178.9	-68.7	170.1	-168.6	-174.2	2.4	110.9	N182 D186 E703 L704 S709 K710 M711	N182-R707 PolarHBondContact O-NH1 2.91Å; D186-R707 VanDerWaalsContact CG-NH1 3.26Å; D186-R707 IonicContact OD1-CZ 3.75Å; D186-R707 IonicContact OD1-NH1 3.9Å; D186-R707 IonicContact OD1-NH2 2.94Å; D186-R707 PolarHBondContact OD1-NH2 3.12Å; D186-R707 VanDerWaalsContact OD1-NH2 3.09Å; D186-R707 IonicContact OD2-CZ 3.15Å; D186-R707 IonicContact OD2-NH1 3.15Å; D186-R707 PolarHBondContact OD2-NH1 3.34Å; D186-R707 IonicContact OD2-NH2 3.2Å; D186-R707 PolarHBondContact OD2-NH2 3.48Å; E703-R707 WeakPolarHBondContact O-CG 3.47Å; E703-R707 PolarHBondContact O-N 2.76Å; E703-R707 IonicContact OE1-CZ 2.98Å; E703-R707 IonicContact OE1-NE 3.63Å; E703-R707 IonicContact OE1-NH2 2.76Å; E703-R707 PolarHBondContact OE1-NH2 3.03Å; E703-R707 IonicContact OE2-NH2 2.8Å; L704-R707 PolarHBondContact O-N 3.44Å; L704-R707 VanDerWaalsContact O-N 3.16Å; R707-S709 VanDerWaalsContact C-N 3.33Å; R707-S709 PolarHBondContact O-N 2.98Å; R707-K710 PolarHBondContact O-N 2.83Å; R707-M711 WeakPolarHBondContact O-CB 3.37Å; R707-M711 WeakPolarHBondContact O-CG 3.46Å; R707-M711 PolarHBondContact O-N 2.81Å
708	L	45.6	Very low	39.1	Very low	11 Å²	11	72.6 Å²	72.6	6%	0.058	43%	0.425	C	S	.	.	H	α-helix	trans	-66.3	-28.3	177.6	-69	170.2	0	0	0	113.9	I256 K259 I260 M700 L704 M711	I256-L708 HydrophobicContact CG2-CD1 3.62Å; K259-L708 HydrophobicContact CB-CD2 4.21Å; I260-L708 HydrophobicContact CG1-CD2 3.92Å; M700-L708 HydrophobicContact SD-CD1 4.17Å; L704-L708 HydrophobicContact CD1-CD1 4.37Å; L704-L708 HydrophobicContact CD1-CG 4.33Å; L704-L708 HydrophobicContact CD2-CD1 4.23Å; L704-L708 HydrophobicContact CG-CD1 3.81Å; L704-L708 HydrophobicContact CG-CG 4.22Å; L704-L708 WeakPolarHBondContact O-CB 3.37Å; L704-L708 VanDerWaalsContact O-CG 3.26Å; L704-L708 WeakPolarHBondContact O-CG 3.38Å; L704-L708 PolarHBondContact O-N 2.84Å; L708-M711 HydrophobicContact CD2-CE 4.24Å; L708-M711 HydrophobicContact CD2-SD 4.22Å
709	S	43.7	Very low	38.8	Very low	47 Å²	47	72 Å²	72	33%	0.329	43%	0.426	S	S	.	.	H	α-helix	trans	-80.7	-38.4	172.1	68.2	0	0	0	0	112	R705 E706 R707 M711 Q712	R705-S709 PolarHBondContact O-N 2.95Å; R705-S709 PolarHBondContact O-OG 3.31Å; E706-S709 PolarHBondContact O-N 3.44Å; E706-S709 PolarHBondContact O-OG 2.87Å; R707-S709 VanDerWaalsContact C-N 3.33Å; R707-S709 PolarHBondContact O-N 2.98Å; S709-M711 VanDerWaalsContact C-N 3.34Å; S709-M711 PolarHBondContact O-N 3.41Å; S709-Q712 WeakPolarHBondContact O-CB 3.3Å; S709-Q712 PolarHBondContact O-N 2.86Å
710	K	48.4	Very low	38.3	Very low	121 Å²	121	78.9 Å²	78.9	53%	0.526	45%	0.452	S	S	.	.	H	α-helix	trans	-62.4	-38.4	173.5	-72.9	164.6	177.9	165	0	112.2	E706 R707 Q712 L713	E706-K710 WeakPolarHBondContact O-CB 3.46Å; E706-K710 WeakPolarHBondContact O-CD 3.27Å; E706-K710 VanDerWaalsContact O-CG 3.29Å; E706-K710 WeakPolarHBondContact O-CG 3.41Å; E706-K710 PolarHBondContact O-N 3.4Å; E706-K710 IonicContact OE2-NZ 3.9Å; E706-K710 PolarHBondContact OE2-NZ 3.42Å; E706-K710 VanDerWaalsContact OE2-NZ 3.15Å; R707-K710 PolarHBondContact O-N 2.83Å; K710-Q712 PolarHBondContact O-N 3.18Å; K710-Q712 VanDerWaalsContact O-N 3.15Å; K710-L713 PolarHBondContact O-N 3.19Å
711	M	40.5	Very low	37.7	Very low	77 Å²	77	82.4 Å²	82.4	38%	0.379	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-59	-20.8	170.8	-78.5	169	49.3	0	0	113.9	R263 R707 L708 S709 L713	R263-M711 HydrophobicContact CB-CE 3.73Å; R263-M711 HydrophobicContact CG-CE 4.03Å; R263-M711 HydrophobicContact CG-SD 4.33Å; R707-M711 WeakPolarHBondContact O-CB 3.37Å; R707-M711 WeakPolarHBondContact O-CG 3.46Å; R707-M711 PolarHBondContact O-N 2.81Å; L708-M711 HydrophobicContact CD2-CE 4.24Å; L708-M711 HydrophobicContact CD2-SD 4.22Å; S709-M711 VanDerWaalsContact C-N 3.34Å; S709-M711 PolarHBondContact O-N 3.41Å; M711-L713 PolarHBondContact O-N 2.72Å
712	Q	38	Very low	36.8	Very low	128 Å²	128	86.5 Å²	86.5	60%	0.598	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-80.3	-3	-176.9	-152	162.4	-38	0	0	113.2	S709 K710	S709-Q712 WeakPolarHBondContact O-CB 3.3Å; S709-Q712 PolarHBondContact O-N 2.86Å; K710-Q712 PolarHBondContact O-N 3.18Å; K710-Q712 VanDerWaalsContact O-N 3.15Å
713	L	36.7	Very low	36	Very low	152 Å²	152	87.9 Å²	87.9	80%	0.796	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-110.5	8.7	-177.3	-69.3	172.6	0	0	0	115	K710 M711 G715	K710-L713 PolarHBondContact O-N 3.19Å; M711-L713 PolarHBondContact O-N 2.72Å; L713-G715 PolarHBondContact O-N 2.65Å; L713-G715 VanDerWaalsContact O-N 3.14Å
714	G	28.9	Very low	35	Very low	80 Å²	80	88.2 Å²	88.2	83%	0.825	53%	0.528	S	S	*	.			trans	61.4	28.9	157.1	0	0	0	0	0	118.1
715	G	30.5	Very low	34.1	Very low	74 Å²	74	93.4 Å²	93.4	76%	0.763	56%	0.562	S	S	*	*			trans	-151.5	149.9	177.6	0	0	0	0	0	112.1	L713	L713-G715 PolarHBondContact O-N 2.65Å; L713-G715 VanDerWaalsContact O-N 3.14Å
716	G	27.4	Very low	32.9	Very low	67 Å²	67	89.8 Å²	89.8	69%	0.691	55%	0.554	S	S	*	*			trans	-123.1	-177.7	-171.3	0	0	0	0	0	115.8
717	T	27.6	Very low	32	Very low	100 Å²	100	94.8 Å²	94.8	61%	0.613	59%	0.586	S	S	*	*			trans	75.2	132.5	171.4	75.5	0	0	0	0	118.4	E196	E196-T717 WeakPolarHBondContact OE2-CG2 3.21Å
718	G	27	Very low	31.1	Very low	53 Å²	53	98 Å²	98	55%	0.546	61%	0.609	S	S	.	*			trans	143.1	102	172.3	0	0	0	0	0	111.7
719	L	27.8	Very low	30.2	Very low	126 Å²	126	104.5 Å²	104.5	66%	0.66	64%	0.643	S	S	*	*				64.6	125.4	71.6	-60.4	-179.5	0	0	0	111.9
720	K	27.7	Very low	29.5	Very low	193 Å²	193	108.9 Å²	108.9	84%	0.839	66%	0.663	S	S	*	*			cis	-152	174.1	5.9	-97.9	157.8	-178.7	179.3	0	110
721	S	24	Very low	28.6	Very low	102 Å²	102	112.4 Å²	112.4	71%	0.713	68%	0.678	S	S	*	*			trans	-131	171.9	175.7	54.6	0	0	0	0	112.2
722	V	26.7	Very low	28.1	Very low	134 Å²	134	112.3 Å²	112.3	81%	0.812	68%	0.684	S	S	*	*			trans	65.9	152.1	171.7	-123.4	0	0	0	0	114.2
723	P	26.8	Very low	28.4	Very low	111 Å²	111	112.8 Å²	112.8	72%	0.721	69%	0.69	S	S	*	*			cis	-135.8	156.2	13.2	42	-23.8	0	0	0	119.9
724	I	21.8	Very low	29.2	Very low	108 Å²	108	112.7 Å²	112.7	55%	0.554	69%	0.686	S	S	*	*			trans	-94.7	132	164.8	-61.7	165.5	0	0	0	109.9	K347	K347-I724 HydrophobicContact CD-CB 4.38Å; K347-I724 HydrophobicContact CD-CG2 4.16Å; K347-I724 WeakPolarHBondContact CD-O 3.39Å; K347-I724 PolarHBondContact NZ-O 2.81Å
725	P	26.4	Very low	30.6	Very low	112 Å²	112	116 Å²	116	73%	0.727	67%	0.673	S	S	*	*			trans	-95.3	155.2	156.5	-6.2	26.5	0	0	0	111.9
726	S	22.6	Very low	32.3	Very low	42 Å²	42	113.1 Å²	113.1	29%	0.294	64%	0.64	S	S	.	*			trans	-147.5	104.8	179.3	-49.8	0	0	0	0	113.8	K347 R348	K347-S726 WeakPolarHBondContact CD-OG 3.26Å; R348-S726 PolarHBondContact NH2-O 2.93Å; R348-S726 VanDerWaalsContact NH2-O 3.1Å
727	T	28.9	Very low	34.2	Very low	122 Å²	122	112.7 Å²	112.7	75%	0.748	63%	0.627	S	S	*	*			trans	-157.1	112.5	164.6	38	0	0	0	0	107.7
728	T	25.9	Very low	36.6	Very low	97 Å²	97	112 Å²	112	60%	0.595	62%	0.615	S	S	*	*				43.7	94.7	86.6	56.4	0	0	0	0	114.4
729	L	26.2	Very low	39	Very low	149 Å²	149	118.3 Å²	118.3	78%	0.78	62%	0.624	S	S	*	*				-165.3	163.2	98.3	-149.9	61.7	0	0	0	111
730	D	29.5	Very low	41.4	Very low	138 Å²	138	112.5 Å²	112.5	74%	0.738	59%	0.594	S	S	*	*			trans	61	146.2	164	-58.8	-43.1	0	0	0	121.3
731	K	29	Very low	44	Very low	195 Å²	195	105 Å²	105	85%	0.848	57%	0.566	S	S	*	*			trans	-93.8	126.2	175.7	-64.7	177	177	-177.4	0	109.2
732	P	31.1	Very low	47	Very low	76 Å²	76	104.5 Å²	104.5	49%	0.494	55%	0.551	S	S	.	*				-131.8	-10	111.5	36.1	-28.4	0	0	0	114.1	Q734 H752	P732-Q734 PolarHBondContact O-N 3Å; P732-H752 PolarHBondContact O-CE1 3.18Å
733	D	44.9	Very low	49.6	Very low	138 Å²	138	103.1 Å²	103.1	74%	0.738	54%	0.536	S	S	*	.			trans	-72.7	41.2	-165.8	-58.2	-12.2	0	0	0	115.6	R735	D733-R735 VanDerWaalsContact C-N 3.3Å; D733-R735 PolarHBondContact O-N 3.32Å
734	Q	52.6	Low	52.2	Low	150 Å²	150	102.3 Å²	102.3	70%	0.701	52%	0.522	S	S	*	.			trans	-73.8	85.9	170.7	-168.5	159.4	-15.2	0	0	108.8	P732 L736 W748	P732-Q734 PolarHBondContact O-N 3Å; Q734-L736 PolarHBondContact O-N 3.26Å; Q734-W748 VanDerWaalsContact O-CD1 3.26Å; Q734-W748 PolarHBondContact O-NE1 3.4Å; Q734-W748 VanDerWaalsContact O-NE1 3.1Å
735	R	58.5	Low	55.1	Low	148 Å²	148	97.2 Å²	97.2	56%	0.558	50%	0.496	S	S	*	.			trans	-41.3	127.9	173.8	-83.7	-178.8	68.8	148.4	7.6	109.9	D733 S737 F794 R795 G796	D733-R735 VanDerWaalsContact C-N 3.3Å; D733-R735 PolarHBondContact O-N 3.32Å; R735-S737 PolarHBondContact O-N 2.87Å; R735-F794 PolarHBondContact NH2-O 2.98Å; R735-R795 PolarHBondContact NH2-O 3.2Å; R735-G796 VanDerWaalsContact CZ-CA 3.5Å; R735-G796 VanDerWaalsContact CZ-O 3.25Å; R735-G796 PolarHBondContact NH1-O 2.81Å; R735-G796 PolarHBondContact NH2-O 3.35Å; R735-G796 VanDerWaalsContact NH2-O 3.11Å
736	L	65.1	Low	57.8	Low	14 Å²	14	92.8 Å²	92.8	7%	0.073	47%	0.469	C	S	.	.			trans	-78.8	123.1	177.1	-142.6	83.8	0	0	0	110.4	Q734 A740 V745 W748 A793 F794	Q734-L736 PolarHBondContact O-N 3.26Å; L736-A740 HydrophobicContact CD1-CB 4.36Å; L736-A740 HydrophobicContact CD2-CB 3.58Å; L736-A740 HydrophobicContact CG-CB 3.65Å; L736-V745 HydrophobicContact CD2-CB 4.17Å; L736-V745 HydrophobicContact CD2-CG2 3.38Å; L736-W748 HydrophobicContact CD1-CB 3.5Å; L736-W748 HydrophobicContact CD1-CD2 4.46Å; L736-W748 HydrophobicContact CD1-CG 3.58Å; L736-A793 PolarHBondContact N-O 3.38Å; L736-F794 HydrophobicContact CB-CD1 4.12Å; L736-F794 HydrophobicContact CB-CE1 3.75Å; L736-F794 HydrophobicContact CB-CE2 4.17Å; L736-F794 HydrophobicContact CB-CZ 3.81Å; L736-F794 HydrophobicContact CD2-CE1 3.67Å; L736-F794 HydrophobicContact CD2-CE2 4.11Å; L736-F794 HydrophobicContact CD2-CZ 3.27Å; L736-F794 HydrophobicContact CG-CE1 4.1Å; L736-F794 HydrophobicContact CG-CZ 4.06Å; L736-F794 VanDerWaalsContact O-CD1 3.24Å; L736-F794 WeakPolarHBondContact O-CD1 3.29Å
737	S	67.1	Low	60.6	Low	58 Å²	58	97.5 Å²	97.5	41%	0.406	49%	0.487	S	S	.	.			trans	-66.2	144.7	176.5	-179	0	0	0	0	110.8	R735 Y739 A740	R735-S737 PolarHBondContact O-N 2.87Å; S737-Y739 PolarHBondContact O-N 3.33Å; S737-Y739 WeakPolarHBondContact OG-CD2 3.4Å; S737-Y739 PolarHBondContact OG-N 2.85Å; S737-Y739 VanDerWaalsContact OG-N 3.11Å; S737-A740 WeakPolarHBondContact O-CB 3.37Å; S737-A740 PolarHBondContact O-N 2.99Å
738	K	78.2	Confident	63.2	Low	85 Å²	85	92.6 Å²	92.6	37%	0.37	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.2	166.3	69.3	-177.2	-177.8	-177	0	112.7	G767 I768 Y771	K738-G767 CarbonylContact O-C 3.53Å; K738-I768 WeakPolarHBondContact O-CA 3.12Å; K738-I768 WeakPolarHBondContact O-CB 3.39Å; K738-I768 PolarHBondContact O-N 2.92Å; K738-Y771 HydrophobicContact CB-CD1 4.35Å; K738-Y771 HydrophobicContact CB-CD2 4.09Å; K738-Y771 HydrophobicContact CB-CG 3.99Å; K738-Y771 HydrophobicContact CD-CE1 4.41Å
739	Y	78.9	Confident	66	Low	186 Å²	186	88 Å²	88	73%	0.729	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-3.2	175	-52.8	-58.9	0	0	0	114.4	S737	S737-Y739 PolarHBondContact O-N 3.33Å; S737-Y739 WeakPolarHBondContact OG-CD2 3.4Å; S737-Y739 PolarHBondContact OG-N 2.85Å; S737-Y739 VanDerWaalsContact OG-N 3.11Å
740	A	77.7	Confident	68.7	Low	4 Å²	4	85.3 Å²	85.3	3%	0.033	42%	0.415	C	S	.	.			trans	-60.8	141.6	-176.3	0	0	0	0	0	112.7	L736 S737 E744 G767	L736-A740 HydrophobicContact CD1-CB 4.36Å; L736-A740 HydrophobicContact CD2-CB 3.58Å; L736-A740 HydrophobicContact CG-CB 3.65Å; S737-A740 WeakPolarHBondContact O-CB 3.37Å; S737-A740 PolarHBondContact O-N 2.99Å; A740-E744 HydrophobicContact CB-CB 4.11Å; A740-G767 PolarHBondContact O-N 3.27Å
741	S	82.6	Confident	71.1	Confident	37 Å²	37	82 Å²	82	26%	0.259	41%	0.407	S	S	.	.			trans	-65.1	160.3	170.9	62.9	0	0	0	0	111.8	E743 E744 V745	S741-E743 PolarHBondContact O-N 2.92Å; S741-E744 VanDerWaalsContact CB-OE2 3.25Å; S741-E744 WeakPolarHBondContact CB-OE2 3.46Å; S741-E744 PolarHBondContact N-OE2 2.85Å; S741-E744 PolarHBondContact O-N 2.94Å; S741-E744 WeakPolarHBondContact OG-CG 3.36Å; S741-E744 PolarHBondContact OG-N 3.4Å; S741-E744 PolarHBondContact OG-OE2 2.81Å; S741-V745 VanDerWaalsContact O-CG2 3.32Å; S741-V745 WeakPolarHBondContact O-CG2 3.48Å; S741-V745 PolarHBondContact O-N 2.79Å
742	K	85.7	Confident	73.5	Confident	91 Å²	91	74.3 Å²	74.3	40%	0.396	37%	0.374	S	S	.	.	H	α-helix	trans	-64.1	-24	171.3	66.9	-174	-175.6	-164.9	0	111.9	A746 F765 K766	K742-A746 WeakPolarHBondContact O-CB 3.36Å; K742-A746 PolarHBondContact O-N 2.87Å; K742-F765 WeakPolarHBondContact CA-O 3.26Å; K742-F765 VanDerWaalsContact CB-O 3.31Å; K742-F765 WeakPolarHBondContact CB-O 3.31Å; K742-K766 HydrophobicContact CB-CG 4.33Å
743	E	82.6	Confident	75.9	Confident	105 Å²	105	78.5 Å²	78.5	49%	0.491	39%	0.387	S	S	.	.	H	α-helix	trans	-67.7	-53.2	170.9	-75.8	71.9	-160.4	0	0	110.9	S741 V745 A746 E747	S741-E743 PolarHBondContact O-N 2.92Å; E743-V745 VanDerWaalsContact C-N 3.3Å; E743-V745 PolarHBondContact O-N 3.25Å; E743-A746 PolarHBondContact O-N 3.37Å; E743-E747 PolarHBondContact O-N 3.39Å
744	E	81	Confident	77.7	Confident	93 Å²	93	72.3 Å²	72.3	44%	0.435	35%	0.354	S	S	.	.	H	α-helix	trans	-60	-37.9	174.4	-73.1	159.7	102.9	0	0	112.4	A740 S741 E747 W748	A740-E744 HydrophobicContact CB-CB 4.11Å; S741-E744 VanDerWaalsContact CB-OE2 3.25Å; S741-E744 WeakPolarHBondContact CB-OE2 3.46Å; S741-E744 PolarHBondContact N-OE2 2.85Å; S741-E744 PolarHBondContact O-N 2.94Å; S741-E744 WeakPolarHBondContact OG-CG 3.36Å; S741-E744 PolarHBondContact OG-N 3.4Å; S741-E744 PolarHBondContact OG-OE2 2.81Å; E744-E747 PolarHBondContact O-N 2.86Å; E744-W748 WeakPolarHBondContact O-CB 3.22Å; E744-W748 PolarHBondContact O-N 2.94Å
745	V	83.6	Confident	79	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-55.7	-51.4	169.4	163.7	0	0	0	0	110.9	L736 S741 E743 W748 L749 L770 F794	L736-V745 HydrophobicContact CD2-CB 4.17Å; L736-V745 HydrophobicContact CD2-CG2 3.38Å; S741-V745 VanDerWaalsContact O-CG2 3.32Å; S741-V745 WeakPolarHBondContact O-CG2 3.48Å; S741-V745 PolarHBondContact O-N 2.79Å; E743-V745 VanDerWaalsContact C-N 3.3Å; E743-V745 PolarHBondContact O-N 3.25Å; V745-W748 PolarHBondContact O-N 2.84Å; V745-L749 HydrophobicContact CG1-CD1 3.72Å; V745-L749 HydrophobicContact CG1-CG 4.39Å; V745-L749 WeakPolarHBondContact O-CB 3.08Å; V745-L749 WeakPolarHBondContact O-CG 3.43Å; V745-L749 PolarHBondContact O-N 3Å; V745-L770 HydrophobicContact CB-CD1 4.26Å; V745-L770 HydrophobicContact CG1-CD1 3.42Å; V745-L770 VanDerWaalsContact CG1-CD1 3.42Å; V745-L770 HydrophobicContact CG2-CD1 3.77Å; V745-F794 HydrophobicContact CG2-CZ 4.37Å
746	A	82.4	Confident	80	Confident	19 Å²	19	66 Å²	66	16%	0.157	35%	0.346	C	S	.	.	H	α-helix	trans	-66.1	-39.3	-177.8	0	0	0	0	0	112.1	K742 E743 V750	K742-A746 WeakPolarHBondContact O-CB 3.36Å; K742-A746 PolarHBondContact O-N 2.87Å; E743-A746 PolarHBondContact O-N 3.37Å; A746-V750 WeakPolarHBondContact O-CB 3.34Å; A746-V750 VanDerWaalsContact O-CG2 3.27Å; A746-V750 WeakPolarHBondContact O-CG2 3.49Å; A746-V750 PolarHBondContact O-N 2.92Å
747	E	80.4	Confident	80.8	Confident	142 Å²	142	73.4 Å²	73.4	66%	0.664	38%	0.378	S	S	*	.	H	α-helix	trans	-65.8	-42.6	175.5	-71.9	-178.7	-177.2	0	0	111.9	E743 E744 V750 A751	E743-E747 PolarHBondContact O-N 3.39Å; E744-E747 PolarHBondContact O-N 2.86Å; E747-V750 PolarHBondContact O-N 2.97Å; E747-A751 WeakPolarHBondContact O-CB 3.14Å; E747-A751 PolarHBondContact O-N 2.94Å
748	W	84.2	Confident	81.5	Confident	19 Å²	19	70.7 Å²	70.7	7%	0.072	36%	0.359	C	S	.	.	H	α-helix	trans	-65.4	-42.2	176.3	-175.5	97.1	0	0	0	112.5	Q734 L736 E744 V745 V750 A751 H752 F754 L790 A793	Q734-W748 VanDerWaalsContact O-CD1 3.26Å; Q734-W748 PolarHBondContact O-NE1 3.4Å; Q734-W748 VanDerWaalsContact O-NE1 3.1Å; L736-W748 HydrophobicContact CD1-CB 3.5Å; L736-W748 HydrophobicContact CD1-CD2 4.46Å; L736-W748 HydrophobicContact CD1-CG 3.58Å; E744-W748 WeakPolarHBondContact O-CB 3.22Å; E744-W748 PolarHBondContact O-N 2.94Å; V745-W748 PolarHBondContact O-N 2.84Å; W748-V750 VanDerWaalsContact C-N 3.29Å; W748-V750 PolarHBondContact O-N 2.68Å; W748-A751 PolarHBondContact O-N 3.36Å; W748-H752 AromaticContact CD1-CE1 3.63Å; W748-H752 AromaticContact CD1-ND1 3.76Å; W748-H752 AromaticContact CD2-CE1 3.98Å; W748-H752 AromaticContact CD2-ND1 3.55Å; W748-H752 AromaticContact CE2-CD2 3.99Å; W748-H752 AromaticContact CE2-CE1 3.26Å; W748-H752 AromaticContact CE2-CG 3.74Å; W748-H752 AromaticContact CE2-ND1 3.24Å; W748-H752 AromaticContact CE2-NE2 3.71Å; W748-H752 AromaticContact CG-ND1 3.8Å; W748-H752 HydrophobicContact CH2-CB 4.2Å; W748-H752 AromaticContact CH2-CD2 4Å; W748-H752 AromaticContact CH2-CG 3.85Å; W748-H752 HydrophobicContact CZ2-CB 4.38Å; W748-H752 AromaticContact CZ2-CD2 3.5Å; W748-H752 VanDerWaalsContact CZ2-CD2 3.5Å; W748-H752 WeakPolarHBondContact CZ2-CD2 3.12Å; W748-H752 AromaticContact CZ2-CE1 3.57Å; W748-H752 AromaticContact CZ2-CG 3.55Å; W748-H752 AromaticContact CZ2-ND1 3.57Å; W748-H752 AromaticContact CZ2-NE2 3.51Å; W748-H752 HydrophobicContact CZ3-CB 4.32Å; W748-H752 AromaticContact NE1-CE1 3.09Å; W748-H752 PolarHBondContact NE1-CE1 2.66Å; W748-H752 AromaticContact NE1-ND1 3.46Å; W748-H752 PolarHBondContact NE1-ND1 2.82Å; W748-H752 AromaticContact NE1-NE2 3.76Å; W748-H752 WeakPolarHBondContact O-CB 3.41Å; W748-H752 PolarHBondContact O-N 2.69Å; W748-H752 PolarHBondContact O-ND1 2.99Å; W748-F754 HydrophobicContact CE3-CE2 4.34Å; W748-F754 AromaticContact CH2-CE2 3.8Å; W748-F754 HydrophobicContact CH2-CE2 3.8Å; W748-F754 HydrophobicContact CH2-CZ 4.2Å; W748-F754 HydrophobicContact CZ3-CD2 4.23Å; W748-F754 AromaticContact CZ3-CE2 3.42Å; W748-F754 HydrophobicContact CZ3-CE2 3.42Å; W748-F754 VanDerWaalsContact CZ3-CE2 3.42Å; W748-F754 AromaticContact CZ3-CZ 3.93Å; W748-F754 HydrophobicContact CZ3-CZ 3.93Å; W748-L790 HydrophobicContact CZ3-CG 4.24Å; W748-A793 HydrophobicContact CH2-CB 3.34Å; W748-A793 HydrophobicContact CZ2-CB 3.11Å; W748-A793 HydrophobicContact CZ3-CB 4.28Å
749	L	84.3	Confident	81.7	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-64.5	-33.7	175.1	-70.1	170.2	0	0	0	112	V745 Q753 F754 I759 L762 L790	V745-L749 HydrophobicContact CG1-CD1 3.72Å; V745-L749 HydrophobicContact CG1-CG 4.39Å; V745-L749 WeakPolarHBondContact O-CB 3.08Å; V745-L749 WeakPolarHBondContact O-CG 3.43Å; V745-L749 PolarHBondContact O-N 3Å; L749-Q753 PolarHBondContact O-N 2.97Å; L749-F754 HydrophobicContact CB-CB 4.29Å; L749-F754 HydrophobicContact CB-CD2 4.35Å; L749-F754 HydrophobicContact CB-CG 4.5Å; L749-F754 HydrophobicContact CD2-CB 4.17Å; L749-F754 HydrophobicContact CD2-CD1 4.01Å; L749-F754 HydrophobicContact CD2-CD2 3.59Å; L749-F754 HydrophobicContact CD2-CE1 4.3Å; L749-F754 HydrophobicContact CD2-CE2 3.91Å; L749-F754 HydrophobicContact CD2-CG 3.63Å; L749-F754 HydrophobicContact CD2-CZ 4.26Å; L749-F754 WeakPolarHBondContact O-CB 3.4Å; L749-F754 PolarHBondContact O-N 3.34Å; L749-I759 HydrophobicContact CB-CG1 4.04Å; L749-L762 HydrophobicContact CD1-CB 3.8Å; L749-L762 HydrophobicContact CD1-CD1 4.2Å; L749-L790 HydrophobicContact CD2-CD1 3.71Å; L749-L790 HydrophobicContact CD2-CG 4.23Å
750	V	83.2	Confident	81.8	Confident	91 Å²	91	63.5 Å²	63.5	55%	0.552	34%	0.344	S	S	*	.	H	α-helix	trans	-70	-46	171.7	167.4	0	0	0	0	111.1	A746 E747 W748 H752 Q753 I759	A746-V750 WeakPolarHBondContact O-CB 3.34Å; A746-V750 VanDerWaalsContact O-CG2 3.27Å; A746-V750 WeakPolarHBondContact O-CG2 3.49Å; A746-V750 PolarHBondContact O-N 2.92Å; E747-V750 PolarHBondContact O-N 2.97Å; W748-V750 VanDerWaalsContact C-N 3.29Å; W748-V750 PolarHBondContact O-N 2.68Å; V750-H752 VanDerWaalsContact C-N 3.3Å; V750-H752 PolarHBondContact O-N 3.27Å; V750-Q753 PolarHBondContact O-N 2.87Å; V750-I759 HydrophobicContact CG2-CD1 3.92Å
751	A	79.7	Confident	82.1	Confident	68 Å²	68	65 Å²	65	56%	0.562	36%	0.356	S	S	*	.	H	α-helix	trans	-61.1	-38.5	178.3	0	0	0	0	0	112.3	E747 W748 Q753	E747-A751 WeakPolarHBondContact O-CB 3.14Å; E747-A751 PolarHBondContact O-N 2.94Å; W748-A751 PolarHBondContact O-N 3.36Å; A751-Q753 PolarHBondContact O-N 3.4Å
752	H	79.7	Confident	82.1	Confident	34 Å²	34	63.2 Å²	63.2	16%	0.157	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	12	174.7	-67.3	71.6	0	0	0	113	P732 W748 V750 F754 R786	P732-H752 PolarHBondContact O-CE1 3.18Å; W748-H752 AromaticContact CD1-CE1 3.63Å; W748-H752 AromaticContact CD1-ND1 3.76Å; W748-H752 AromaticContact CD2-CE1 3.98Å; W748-H752 AromaticContact CD2-ND1 3.55Å; W748-H752 AromaticContact CE2-CD2 3.99Å; W748-H752 AromaticContact CE2-CE1 3.26Å; W748-H752 AromaticContact CE2-CG 3.74Å; W748-H752 AromaticContact CE2-ND1 3.24Å; W748-H752 AromaticContact CE2-NE2 3.71Å; W748-H752 AromaticContact CG-ND1 3.8Å; W748-H752 HydrophobicContact CH2-CB 4.2Å; W748-H752 AromaticContact CH2-CD2 4Å; W748-H752 AromaticContact CH2-CG 3.85Å; W748-H752 HydrophobicContact CZ2-CB 4.38Å; W748-H752 AromaticContact CZ2-CD2 3.5Å; W748-H752 VanDerWaalsContact CZ2-CD2 3.5Å; W748-H752 WeakPolarHBondContact CZ2-CD2 3.12Å; W748-H752 AromaticContact CZ2-CE1 3.57Å; W748-H752 AromaticContact CZ2-CG 3.55Å; W748-H752 AromaticContact CZ2-ND1 3.57Å; W748-H752 AromaticContact CZ2-NE2 3.51Å; W748-H752 HydrophobicContact CZ3-CB 4.32Å; W748-H752 AromaticContact NE1-CE1 3.09Å; W748-H752 PolarHBondContact NE1-CE1 2.66Å; W748-H752 AromaticContact NE1-ND1 3.46Å; W748-H752 PolarHBondContact NE1-ND1 2.82Å; W748-H752 AromaticContact NE1-NE2 3.76Å; W748-H752 WeakPolarHBondContact O-CB 3.41Å; W748-H752 PolarHBondContact O-N 2.69Å; W748-H752 PolarHBondContact O-ND1 2.99Å; V750-H752 VanDerWaalsContact C-N 3.3Å; V750-H752 PolarHBondContact O-N 3.27Å; H752-F754 VanDerWaalsContact C-N 3.31Å; H752-F754 HydrophobicContact CB-CD2 3.76Å; H752-F754 HydrophobicContact CB-CE2 3.6Å; H752-F754 PolarHBondContact O-N 3.13Å; H752-R786 VanDerWaalsContact O-CZ 3.25Å; H752-R786 PolarHBondContact O-NH1 3.31Å; H752-R786 PolarHBondContact O-NH2 2.91Å
753	Q	82.7	Confident	81.7	Confident	165 Å²	165	65.3 Å²	65.3	77%	0.771	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	33.1	170	-49	178.7	34.4	0	0	114.7	L749 V750 A751 R786	L749-Q753 PolarHBondContact O-N 2.97Å; V750-Q753 PolarHBondContact O-N 2.87Å; A751-Q753 PolarHBondContact O-N 3.4Å; Q753-R786 PolarHBondContact O-NH1 2.64Å
754	F	81.5	Confident	81.5	Confident	7 Å²	7	63.1 Å²	63.1	3%	0.031	36%	0.358	C	S	.	.			trans	-61.9	153.6	178.2	-82.1	-99	0	0	0	111.4	W748 L749 H752 A758 I759 V782 R786 E789 L790	W748-F754 HydrophobicContact CE3-CE2 4.34Å; W748-F754 AromaticContact CH2-CE2 3.8Å; W748-F754 HydrophobicContact CH2-CE2 3.8Å; W748-F754 HydrophobicContact CH2-CZ 4.2Å; W748-F754 HydrophobicContact CZ3-CD2 4.23Å; W748-F754 AromaticContact CZ3-CE2 3.42Å; W748-F754 HydrophobicContact CZ3-CE2 3.42Å; W748-F754 VanDerWaalsContact CZ3-CE2 3.42Å; W748-F754 AromaticContact CZ3-CZ 3.93Å; W748-F754 HydrophobicContact CZ3-CZ 3.93Å; L749-F754 HydrophobicContact CB-CB 4.29Å; L749-F754 HydrophobicContact CB-CD2 4.35Å; L749-F754 HydrophobicContact CB-CG 4.5Å; L749-F754 HydrophobicContact CD2-CB 4.17Å; L749-F754 HydrophobicContact CD2-CD1 4.01Å; L749-F754 HydrophobicContact CD2-CD2 3.59Å; L749-F754 HydrophobicContact CD2-CE1 4.3Å; L749-F754 HydrophobicContact CD2-CE2 3.91Å; L749-F754 HydrophobicContact CD2-CG 3.63Å; L749-F754 HydrophobicContact CD2-CZ 4.26Å; L749-F754 WeakPolarHBondContact O-CB 3.4Å; L749-F754 PolarHBondContact O-N 3.34Å; H752-F754 VanDerWaalsContact C-N 3.31Å; H752-F754 HydrophobicContact CB-CD2 3.76Å; H752-F754 HydrophobicContact CB-CE2 3.6Å; H752-F754 PolarHBondContact O-N 3.13Å; F754-A758 HydrophobicContact CB-CB 4.4Å; F754-A758 HydrophobicContact CD1-CB 4.44Å; F754-I759 HydrophobicContact CB-CD1 4.42Å; F754-I759 HydrophobicContact CB-CG1 3.93Å; F754-I759 WeakPolarHBondContact O-CD1 2.89Å; F754-V782 HydrophobicContact CD1-CG1 3.9Å; F754-V782 HydrophobicContact CE1-CG1 3.78Å; F754-R786 HydrophobicContact CD1-CB 4.3Å; F754-R786 HydrophobicContact CE1-CB 3.78Å; F754-R786 WeakPolarHBondContact CE1-O 3.34Å; F754-R786 HydrophobicContact CZ-CB 4.47Å; F754-E789 HydrophobicContact CZ-CB 4.16Å; F754-L790 HydrophobicContact CE1-CB 4.14Å; F754-L790 HydrophobicContact CE1-CD1 4.15Å; F754-L790 HydrophobicContact CE1-CG 4.47Å; F754-L790 HydrophobicContact CZ-CB 3.97Å; F754-L790 HydrophobicContact CZ-CD1 4.44Å; F754-L790 HydrophobicContact CZ-CG 4.31Å
755	S	81	Confident	81.6	Confident	53 Å²	53	61.3 Å²	61.3	37%	0.371	35%	0.349	S	S	.	.			trans	-60.4	147.2	-176.7	76.7	0	0	0	0	111.2	K757 A758 I759	S755-K757 PolarHBondContact O-N 2.89Å; S755-A758 WeakPolarHBondContact O-CA 3.04Å; S755-A758 WeakPolarHBondContact O-CB 3.3Å; S755-A758 PolarHBondContact O-N 2.91Å; S755-A758 WeakPolarHBondContact OG-CB 3.39Å; S755-A758 PolarHBondContact OG-N 3.05Å; S755-A758 VanDerWaalsContact OG-N 3.08Å; S755-I759 PolarHBondContact O-N 3.23Å
756	P	79.2	Confident	81.6	Confident	113 Å²	113	66.6 Å²	66.6	73%	0.734	37%	0.372	S	S	*	.	H	α-helix	trans	-56	-28.9	177.5	-28.1	35.8	0	0	0	113.3	S760	P756-S760 WeakPolarHBondContact O-CB 3.3Å; P756-S760 PolarHBondContact O-N 2.9Å
757	K	80.5	Confident	81.4	Confident	170 Å²	170	65.7 Å²	65.7	74%	0.739	36%	0.364	S	S	*	.	H	α-helix	trans	-67.2	-48.6	172	-172.2	-177.6	176.9	-171	0	111.6	S755 S760 A761	S755-K757 PolarHBondContact O-N 2.89Å; K757-S760 PolarHBondContact O-N 2.79Å; K757-A761 VanDerWaalsContact O-CB 3.24Å; K757-A761 WeakPolarHBondContact O-CB 3.46Å; K757-A761 PolarHBondContact O-N 3.31Å
758	A	81.9	Confident	81.4	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.008	35%	0.35	C	S	.	.	H	α-helix	trans	-63.4	-46.2	177.1	0	0	0	0	0	112	F754 S755 S760 A761 L762 V782	F754-A758 HydrophobicContact CB-CB 4.4Å; F754-A758 HydrophobicContact CD1-CB 4.44Å; S755-A758 WeakPolarHBondContact O-CA 3.04Å; S755-A758 WeakPolarHBondContact O-CB 3.3Å; S755-A758 PolarHBondContact O-N 2.91Å; S755-A758 WeakPolarHBondContact OG-CB 3.39Å; S755-A758 PolarHBondContact OG-N 3.05Å; S755-A758 VanDerWaalsContact OG-N 3.08Å; A758-S760 VanDerWaalsContact C-N 3.33Å; A758-S760 PolarHBondContact O-N 3.08Å; A758-A761 PolarHBondContact O-N 3.34Å; A758-L762 WeakPolarHBondContact O-CB 3.26Å; A758-L762 PolarHBondContact O-N 2.86Å; A758-V782 HydrophobicContact CB-CB 4.48Å; A758-V782 HydrophobicContact CB-CG1 4.35Å
759	I	82.4	Confident	81.4	Confident	31 Å²	31	64 Å²	64	16%	0.159	36%	0.361	C	S	.	.	H	α-helix	trans	-57.3	-47.9	174.3	-65.2	169.9	0	0	0	109.8	L749 V750 F754 S755 A761 L762 K763	L749-I759 HydrophobicContact CB-CG1 4.04Å; V750-I759 HydrophobicContact CG2-CD1 3.92Å; F754-I759 HydrophobicContact CB-CD1 4.42Å; F754-I759 HydrophobicContact CB-CG1 3.93Å; F754-I759 WeakPolarHBondContact O-CD1 2.89Å; S755-I759 PolarHBondContact O-N 3.23Å; I759-A761 VanDerWaalsContact C-N 3.34Å; I759-A761 PolarHBondContact O-N 2.77Å; I759-L762 PolarHBondContact O-N 2.87Å; I759-K763 WeakPolarHBondContact O-CB 3.16Å; I759-K763 PolarHBondContact O-N 2.83Å
760	S	82.7	Confident	81.1	Confident	89 Å²	89	64.2 Å²	64.2	62%	0.622	36%	0.362	S	S	*	.	H	α-helix	trans	-67.4	-31.2	178.5	-168	0	0	0	0	113.6	P756 K757 A758	P756-S760 WeakPolarHBondContact O-CB 3.3Å; P756-S760 PolarHBondContact O-N 2.9Å; K757-S760 PolarHBondContact O-N 2.79Å; A758-S760 VanDerWaalsContact C-N 3.33Å; A758-S760 PolarHBondContact O-N 3.08Å
761	A	83	Confident	80.9	Confident	34 Å²	34	63 Å²	63	28%	0.281	35%	0.348	S	S	.	.	H	α-helix	trans	-76.1	-24.9	178.1	0	0	0	0	0	112.9	K757 A758 I759 F765 H781	K757-A761 VanDerWaalsContact O-CB 3.24Å; K757-A761 WeakPolarHBondContact O-CB 3.46Å; K757-A761 PolarHBondContact O-N 3.31Å; A758-A761 PolarHBondContact O-N 3.34Å; I759-A761 VanDerWaalsContact C-N 3.34Å; I759-A761 PolarHBondContact O-N 2.77Å; A761-F765 VanDerWaalsContact O-CE2 3.31Å; A761-F765 WeakPolarHBondContact O-CE2 3.36Å; A761-H781 HydrophobicContact CB-CB 4.02Å; A761-H781 PolarHBondContact O-ND1 2.58Å
762	L	81.8	Confident	80.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-107.8	-6.2	-178.4	-62.9	-174.9	0	0	0	114.6	L749 A758 I759 G764 F765 L770 M773 H781 V782 L790	L749-L762 HydrophobicContact CD1-CB 3.8Å; L749-L762 HydrophobicContact CD1-CD1 4.2Å; A758-L762 WeakPolarHBondContact O-CB 3.26Å; A758-L762 PolarHBondContact O-N 2.86Å; I759-L762 PolarHBondContact O-N 2.87Å; L762-G764 PolarHBondContact O-N 2.83Å; L762-F765 HydrophobicContact CD2-CD2 4.04Å; L762-F765 HydrophobicContact CD2-CE2 4.26Å; L762-F765 HydrophobicContact CD2-CG 4.28Å; L762-F765 WeakPolarHBondContact O-CB 3.33Å; L762-F765 PolarHBondContact O-N 2.92Å; L762-L770 HydrophobicContact CB-CD2 4.44Å; L762-L770 HydrophobicContact CD1-CD2 3.75Å; L762-L770 HydrophobicContact CD2-CD2 3.69Å; L762-L770 HydrophobicContact CG-CD2 4.16Å; L762-M773 HydrophobicContact CD2-CE 4.39Å; L762-M773 HydrophobicContact CD2-SD 4.33Å; L762-H781 HydrophobicContact CD2-CB 3.48Å; L762-H781 VanDerWaalsContact CD2-CB 3.48Å; L762-H781 HydrophobicContact CG-CB 4.11Å; L762-V782 HydrophobicContact CD1-CG2 3.63Å; L762-L790 HydrophobicContact CD1-CD1 3.35Å
763	K	77.2	Confident	80.8	Confident	136 Å²	136	63.2 Å²	63.2	59%	0.591	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-17.7	-179.7	-157.1	166.7	-174.5	168.2	0	115.8	I759	I759-K763 WeakPolarHBondContact O-CB 3.16Å; I759-K763 PolarHBondContact O-N 2.83Å
764	G	79.9	Confident	80.5	Confident	59 Å²	59	59.1 Å²	59.1	61%	0.608	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-15.5	175.2	0	0	0	0	0	114.6	L762	L762-G764 PolarHBondContact O-N 2.83Å
765	F	82.7	Confident	80.4	Confident	54 Å²	54	63.8 Å²	63.8	24%	0.237	35%	0.345	C	S	.	.			trans	-91.6	134.3	-170.2	-67.4	-109.3	0	0	0	110.3	K742 A761 L762 D769 L770 M773 H781	K742-F765 WeakPolarHBondContact CA-O 3.26Å; K742-F765 VanDerWaalsContact CB-O 3.31Å; K742-F765 WeakPolarHBondContact CB-O 3.31Å; A761-F765 VanDerWaalsContact O-CE2 3.31Å; A761-F765 WeakPolarHBondContact O-CE2 3.36Å; L762-F765 HydrophobicContact CD2-CD2 4.04Å; L762-F765 HydrophobicContact CD2-CE2 4.26Å; L762-F765 HydrophobicContact CD2-CG 4.28Å; L762-F765 WeakPolarHBondContact O-CB 3.33Å; L762-F765 PolarHBondContact O-N 2.92Å; F765-D769 HydrophobicContact CB-CB 4Å; F765-D769 HydrophobicContact CD1-CB 3.69Å; F765-D769 HydrophobicContact CG-CB 4.27Å; F765-L770 HydrophobicContact CB-CD2 4.02Å; F765-L770 HydrophobicContact CB-CG 3.94Å; F765-L770 HydrophobicContact CD1-CD2 4.46Å; F765-L770 HydrophobicContact CG-CD2 4.38Å; F765-M773 HydrophobicContact CD1-CE 4.1Å; F765-M773 HydrophobicContact CD1-SD 3.71Å; F765-M773 HydrophobicContact CE1-CE 3.33Å; F765-M773 HydrophobicContact CE1-CG 4.34Å; F765-M773 HydrophobicContact CE1-SD 3.55Å; F765-M773 VanDerWaalsContact CE1-SD 3.55Å; F765-M773 HydrophobicContact CZ-CE 3.64Å; F765-M773 HydrophobicContact CZ-SD 4.36Å; F765-H781 AromaticContact CE2-CE1 3.78Å; F765-H781 AromaticContact CE2-ND1 3.91Å; F765-H781 AromaticContact CZ-CE1 3.57Å
766	K	82.7	Confident	80.4	Confident	112 Å²	112	65.1 Å²	65.1	49%	0.487	35%	0.351	S	S	.	.			trans	-81.7	173.5	168.1	-59.1	172	-177.7	175.1	0	110.5	K742 I768 D769 L770	K742-K766 HydrophobicContact CB-CG 4.33Å; K766-I768 HydrophobicContact CB-CG2 4.13Å; K766-I768 HydrophobicContact CD-CG2 4.32Å; K766-I768 PolarHBondContact O-N 3.11Å; K766-D769 VanDerWaalsContact CB-OD2 3.3Å; K766-D769 WeakPolarHBondContact CB-OD2 3.37Å; K766-D769 WeakPolarHBondContact CG-OD2 3.47Å; K766-D769 PolarHBondContact N-OD2 2.79Å; K766-D769 PolarHBondContact O-N 3.44Å; K766-L770 PolarHBondContact O-N 2.92Å
767	G	79.9	Confident	80.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-55.7	-38.3	172.1	0	0	0	0	0	113.5	K738 A740 Y771 F794	K738-G767 CarbonylContact O-C 3.53Å; A740-G767 PolarHBondContact O-N 3.27Å; G767-Y771 WeakPolarHBondContact O-CB 3.09Å; G767-Y771 PolarHBondContact O-N 3.35Å; G767-F794 VanDerWaalsContact O-CE1 3.27Å; G767-F794 WeakPolarHBondContact O-CE1 3.32Å
768	I	80.3	Confident	80.3	Confident	70 Å²	70	55.6 Å²	55.6	36%	0.359	30%	0.299	S	S	.	.	H	α-helix	trans	-69.6	-34.3	176.6	-168.7	60.7	0	0	0	112.6	K738 K766 Y771 T772	K738-I768 WeakPolarHBondContact O-CA 3.12Å; K738-I768 WeakPolarHBondContact O-CB 3.39Å; K738-I768 PolarHBondContact O-N 2.92Å; K766-I768 HydrophobicContact CB-CG2 4.13Å; K766-I768 HydrophobicContact CD-CG2 4.32Å; K766-I768 PolarHBondContact O-N 3.11Å; I768-Y771 HydrophobicContact CD1-CD1 4.16Å; I768-Y771 PolarHBondContact O-N 3.23Å; I768-T772 HydrophobicContact CD1-CG2 4.21Å; I768-T772 HydrophobicContact CG1-CG2 4.42Å; I768-T772 WeakPolarHBondContact O-CB 3.33Å; I768-T772 WeakPolarHBondContact O-CG2 3.38Å; I768-T772 PolarHBondContact O-N 3.02Å; I768-T772 PolarHBondContact O-OG1 3.32Å
769	D	82.3	Confident	80.4	Confident	57 Å²	57	58 Å²	58	31%	0.305	31%	0.31	S	S	.	.	H	α-helix	trans	-71.7	-38.3	-179.4	-50.4	-42.3	0	0	0	110.1	F765 K766 T772 M773	F765-D769 HydrophobicContact CB-CB 4Å; F765-D769 HydrophobicContact CD1-CB 3.69Å; F765-D769 HydrophobicContact CG-CB 4.27Å; K766-D769 VanDerWaalsContact CB-OD2 3.3Å; K766-D769 WeakPolarHBondContact CB-OD2 3.37Å; K766-D769 WeakPolarHBondContact CG-OD2 3.47Å; K766-D769 PolarHBondContact N-OD2 2.79Å; K766-D769 PolarHBondContact O-N 3.44Å; D769-T772 PolarHBondContact O-OG1 3.48Å; D769-M773 WeakPolarHBondContact O-CG 3.46Å; D769-M773 PolarHBondContact O-N 3.38Å
770	L	79.5	Confident	80.3	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-72.5	-35.8	173	-67.1	173.8	0	0	0	113.2	V745 L762 F765 K766 T772 M773 L778 L790 F794	V745-L770 HydrophobicContact CB-CD1 4.26Å; V745-L770 HydrophobicContact CG1-CD1 3.42Å; V745-L770 VanDerWaalsContact CG1-CD1 3.42Å; V745-L770 HydrophobicContact CG2-CD1 3.77Å; L762-L770 HydrophobicContact CB-CD2 4.44Å; L762-L770 HydrophobicContact CD1-CD2 3.75Å; L762-L770 HydrophobicContact CD2-CD2 3.69Å; L762-L770 HydrophobicContact CG-CD2 4.16Å; F765-L770 HydrophobicContact CB-CD2 4.02Å; F765-L770 HydrophobicContact CB-CG 3.94Å; F765-L770 HydrophobicContact CD1-CD2 4.46Å; F765-L770 HydrophobicContact CG-CD2 4.38Å; K766-L770 PolarHBondContact O-N 2.92Å; L770-T772 VanDerWaalsContact C-N 3.32Å; L770-M773 HydrophobicContact CD2-SD 3.96Å; L770-L778 HydrophobicContact CD2-CD2 3.98Å; L770-L790 HydrophobicContact CB-CD2 4.38Å; L770-L790 HydrophobicContact CD1-CD2 4.27Å; L770-L790 HydrophobicContact CD2-CD2 4.39Å; L770-F794 HydrophobicContact CB-CD2 4.29Å; L770-F794 HydrophobicContact CB-CE1 4.42Å; L770-F794 HydrophobicContact CB-CE2 3.59Å; L770-F794 HydrophobicContact CB-CZ 3.63Å; L770-F794 HydrophobicContact CD1-CE2 3.73Å; L770-F794 HydrophobicContact CD1-CZ 3.72Å; L770-F794 HydrophobicContact CG-CE2 4.3Å; L770-F794 HydrophobicContact CG-CZ 4.3Å
771	Y	78.8	Confident	79.9	Confident	65 Å²	65	62 Å²	62	26%	0.255	32%	0.318	S	S	.	.	H	α-helix	trans	-66.1	-34.5	174.9	-179.6	-95.2	0	0	0	112.1	K738 G767 I768 F794 R795	K738-Y771 HydrophobicContact CB-CD1 4.35Å; K738-Y771 HydrophobicContact CB-CD2 4.09Å; K738-Y771 HydrophobicContact CB-CG 3.99Å; K738-Y771 HydrophobicContact CD-CE1 4.41Å; G767-Y771 WeakPolarHBondContact O-CB 3.09Å; G767-Y771 PolarHBondContact O-N 3.35Å; I768-Y771 HydrophobicContact CD1-CD1 4.16Å; I768-Y771 PolarHBondContact O-N 3.23Å; Y771-F794 HydrophobicContact CD2-CB 4.35Å; Y771-R795 HydrophobicContact CD2-CG 4.39Å; Y771-R795 HydrophobicContact CE2-CG 4.31Å; Y771-R795 PolarHBondContact O-NH2 3Å
772	T	80.2	Confident	79.5	Confident	93 Å²	93	61.3 Å²	61.3	57%	0.571	31%	0.31	S	S	*	.	H	α-helix	trans	-87.7	-21.4	179.1	52.3	0	0	0	0	114.5	I768 D769 L770 N774	I768-T772 HydrophobicContact CD1-CG2 4.21Å; I768-T772 HydrophobicContact CG1-CG2 4.42Å; I768-T772 WeakPolarHBondContact O-CB 3.33Å; I768-T772 WeakPolarHBondContact O-CG2 3.38Å; I768-T772 PolarHBondContact O-N 3.02Å; I768-T772 PolarHBondContact O-OG1 3.32Å; D769-T772 PolarHBondContact O-OG1 3.48Å; L770-T772 VanDerWaalsContact C-N 3.32Å; T772-N774 PolarHBondContact O-N 2.92Å
773	M	76	Confident	79.1	Confident	15 Å²	15	62.5 Å²	62.5	7%	0.074	32%	0.323	C	S	.	.	S	Bend	trans	-56.8	135.4	168.9	-84.7	174.3	129	0	0	111.5	L762 F765 D769 L770 Q777 L778 H781	L762-M773 HydrophobicContact CD2-CE 4.39Å; L762-M773 HydrophobicContact CD2-SD 4.33Å; F765-M773 HydrophobicContact CD1-CE 4.1Å; F765-M773 HydrophobicContact CD1-SD 3.71Å; F765-M773 HydrophobicContact CE1-CE 3.33Å; F765-M773 HydrophobicContact CE1-CG 4.34Å; F765-M773 HydrophobicContact CE1-SD 3.55Å; F765-M773 VanDerWaalsContact CE1-SD 3.55Å; F765-M773 HydrophobicContact CZ-CE 3.64Å; F765-M773 HydrophobicContact CZ-SD 4.36Å; D769-M773 WeakPolarHBondContact O-CG 3.46Å; D769-M773 PolarHBondContact O-N 3.38Å; L770-M773 HydrophobicContact CD2-SD 3.96Å; M773-Q777 HydrophobicContact CB-CB 4.21Å; M773-Q777 HydrophobicContact CE-CB 4.1Å; M773-Q777 HydrophobicContact CG-CB 4.13Å; M773-L778 HydrophobicContact CB-CD1 4.36Å; M773-L778 HydrophobicContact CB-CG 3.95Å; M773-L778 HydrophobicContact SD-CD2 4.25Å; M773-L778 HydrophobicContact SD-CG 4.45Å; M773-H781 VanDerWaalsContact CE-CD2 3.49Å; M773-H781 WeakPolarHBondContact CE-CD2 3.41Å
774	N	77.1	Confident	78.8	Confident	79 Å²	79	60.4 Å²	60.4	42%	0.422	32%	0.323	S	S	.	.			trans	-77.1	164.5	170.2	71.5	47.5	0	0	0	111.3	T772 T776 Q777 L778	T772-N774 PolarHBondContact O-N 2.92Å; N774-T776 VanDerWaalsContact C-N 3.27Å; N774-T776 PolarHBondContact O-N 3.44Å; N774-T776 WeakPolarHBondContact OD1-CB 3.31Å; N774-T776 PolarHBondContact OD1-N 3.5Å; N774-T776 VanDerWaalsContact OD1-N 3.08Å; N774-Q777 PolarHBondContact ND2-OE1 3.3Å; N774-Q777 WeakPolarHBondContact O-CB 3.31Å; N774-Q777 PolarHBondContact O-N 2.97Å; N774-Q777 VanDerWaalsContact O-N 3.07Å; N774-Q777 WeakPolarHBondContact OD1-CG 3.31Å; N774-Q777 PolarHBondContact OD1-N 2.62Å; N774-L778 PolarHBondContact O-N 3.38Å
775	R	78.4	Confident	78.1	Confident	105 Å²	105	66.4 Å²	66.4	40%	0.396	34%	0.335	S	S	.	.	H	α-helix	trans	-52.2	-44.4	-178.9	-178.9	179.8	173.1	113.5	22.1	112.3	Q777 L778 E779 C787 D788	R775-Q777 VanDerWaalsContact C-N 3.35Å; R775-Q777 PolarHBondContact O-N 2.96Å; R775-L778 PolarHBondContact O-N 3.33Å; R775-E779 HydrophobicContact CG-CG 4.3Å; R775-E779 WeakPolarHBondContact CG-OE1 3.12Å; R775-E779 IonicContact CZ-OE1 3.37Å; R775-E779 IonicContact NE-OE1 2.71Å; R775-E779 PolarHBondContact NE-OE1 2.66Å; R775-E779 IonicContact NH2-OE1 3.23Å; R775-E779 PolarHBondContact NH2-OE1 2.7Å; R775-E779 WeakPolarHBondContact O-CB 3.34Å; R775-E779 VanDerWaalsContact O-CG 3.28Å; R775-E779 WeakPolarHBondContact O-CG 3.39Å; R775-E779 PolarHBondContact O-N 3.28Å; R775-C787 PolarHBondContact NH2-SG 3.36Å; R775-C787 VanDerWaalsContact NH2-SG 3.41Å; R775-D788 IonicContact CZ-OD1 2.89Å; R775-D788 VanDerWaalsContact CZ-OD1 3.31Å; R775-D788 IonicContact CZ-OD2 2.69Å; R775-D788 IonicContact NH1-OD1 2.74Å; R775-D788 PolarHBondContact NH1-OD1 3.19Å; R775-D788 IonicContact NH1-OD2 3.62Å; R775-D788 PolarHBondContact NH1-OD2 2.82Å; R775-D788 IonicContact NH2-OD1 3.53Å; R775-D788 PolarHBondContact NH2-OD1 3.48Å; R775-D788 IonicContact NH2-OD2 2.67Å; R775-D788 PolarHBondContact NH2-OD2 3.1Å
776	T	81	Confident	77.6	Confident	81 Å²	81	67 Å²	67	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-66.9	-32.9	-178.9	-48.1	0	0	0	0	112.9	N774 Q780	N774-T776 VanDerWaalsContact C-N 3.27Å; N774-T776 PolarHBondContact O-N 3.44Å; N774-T776 WeakPolarHBondContact OD1-CB 3.31Å; N774-T776 PolarHBondContact OD1-N 3.5Å; N774-T776 VanDerWaalsContact OD1-N 3.08Å; T776-Q780 VanDerWaalsContact O-CG 3.3Å; T776-Q780 WeakPolarHBondContact O-CG 3.31Å; T776-Q780 PolarHBondContact O-N 2.72Å
777	Q	79.9	Confident	77.3	Confident	80 Å²	80	61.7 Å²	61.7	37%	0.374	31%	0.313	S	S	.	.	H	α-helix	trans	-70.5	-42.5	172.5	-71.3	168.3	-39.4	0	0	111.3	M773 N774 R775 Q780 H781	M773-Q777 HydrophobicContact CB-CB 4.21Å; M773-Q777 HydrophobicContact CE-CB 4.1Å; M773-Q777 HydrophobicContact CG-CB 4.13Å; N774-Q777 PolarHBondContact ND2-OE1 3.3Å; N774-Q777 WeakPolarHBondContact O-CB 3.31Å; N774-Q777 PolarHBondContact O-N 2.97Å; N774-Q777 VanDerWaalsContact O-N 3.07Å; N774-Q777 WeakPolarHBondContact OD1-CG 3.31Å; N774-Q777 PolarHBondContact OD1-N 2.62Å; R775-Q777 VanDerWaalsContact C-N 3.35Å; R775-Q777 PolarHBondContact O-N 2.96Å; Q777-Q780 PolarHBondContact O-N 2.7Å; Q777-H781 PolarHBondContact O-CD2 3.09Å; Q777-H781 VanDerWaalsContact O-CD2 3.31Å; Q777-H781 PolarHBondContact O-N 2.91Å
778	L	79.7	Confident	77	Confident	2 Å²	2	64 Å²	64	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-44.7	172.5	-79.4	161.5	0	0	0	111.3	L770 M773 N774 R775 Q780 H781 V782 L790 F791	L770-L778 HydrophobicContact CD2-CD2 3.98Å; M773-L778 HydrophobicContact CB-CD1 4.36Å; M773-L778 HydrophobicContact CB-CG 3.95Å; M773-L778 HydrophobicContact SD-CD2 4.25Å; M773-L778 HydrophobicContact SD-CG 4.45Å; N774-L778 PolarHBondContact O-N 3.38Å; R775-L778 PolarHBondContact O-N 3.33Å; L778-Q780 VanDerWaalsContact C-N 3.31Å; L778-Q780 PolarHBondContact O-N 2.86Å; L778-H781 PolarHBondContact O-N 2.84Å; L778-V782 VanDerWaalsContact O-CB 3.24Å; L778-V782 WeakPolarHBondContact O-CB 3.4Å; L778-V782 VanDerWaalsContact O-CG2 3.3Å; L778-V782 WeakPolarHBondContact O-CG2 3.17Å; L778-V782 PolarHBondContact O-N 3.06Å; L778-L790 HydrophobicContact CD2-CD1 4.08Å; L778-L790 HydrophobicContact CD2-CD2 3.84Å; L778-L790 HydrophobicContact CD2-CG 4.45Å; L778-F791 HydrophobicContact CD1-CD2 4.11Å
779	E	82.1	Confident	76.6	Confident	53 Å²	53	64.5 Å²	64.5	25%	0.248	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-37	174.4	-74.5	168.5	168.7	0	0	112.7	R775 G783 C787	R775-E779 HydrophobicContact CG-CG 4.3Å; R775-E779 WeakPolarHBondContact CG-OE1 3.12Å; R775-E779 IonicContact CZ-OE1 3.37Å; R775-E779 IonicContact NE-OE1 2.71Å; R775-E779 PolarHBondContact NE-OE1 2.66Å; R775-E779 IonicContact NH2-OE1 3.23Å; R775-E779 PolarHBondContact NH2-OE1 2.7Å; R775-E779 WeakPolarHBondContact O-CB 3.34Å; R775-E779 VanDerWaalsContact O-CG 3.28Å; R775-E779 WeakPolarHBondContact O-CG 3.39Å; R775-E779 PolarHBondContact O-N 3.28Å; E779-G783 VanDerWaalsContact O-CA 3.22Å; E779-G783 WeakPolarHBondContact O-CA 3.36Å; E779-G783 PolarHBondContact O-N 2.96Å; E779-C787 HydrophobicContact CG-CB 3.63Å; E779-C787 WeakPolarHBondContact CG-SG 3.17Å
780	Q	80.4	Confident	76.2	Confident	148 Å²	148	61.9 Å²	61.9	69%	0.692	31%	0.312	S	S	*	.	H	α-helix	trans	-67.1	-35.1	176	-77.6	174	11	0	0	113.4	T776 Q777 L778	T776-Q780 VanDerWaalsContact O-CG 3.3Å; T776-Q780 WeakPolarHBondContact O-CG 3.31Å; T776-Q780 PolarHBondContact O-N 2.72Å; Q777-Q780 PolarHBondContact O-N 2.7Å; L778-Q780 VanDerWaalsContact C-N 3.31Å; L778-Q780 PolarHBondContact O-N 2.86Å
781	H	74.8	Confident	75.8	Confident	56 Å²	56	64.2 Å²	64.2	26%	0.259	32%	0.322	S	S	.	.	H	α-helix	trans	-89.4	-35.9	-179.3	-75.5	-114.9	0	0	0	113.1	A761 L762 F765 M773 Q777 L778	A761-H781 HydrophobicContact CB-CB 4.02Å; A761-H781 PolarHBondContact O-ND1 2.58Å; L762-H781 HydrophobicContact CD2-CB 3.48Å; L762-H781 VanDerWaalsContact CD2-CB 3.48Å; L762-H781 HydrophobicContact CG-CB 4.11Å; F765-H781 AromaticContact CE2-CE1 3.78Å; F765-H781 AromaticContact CE2-ND1 3.91Å; F765-H781 AromaticContact CZ-CE1 3.57Å; M773-H781 VanDerWaalsContact CE-CD2 3.49Å; M773-H781 WeakPolarHBondContact CE-CD2 3.41Å; Q777-H781 PolarHBondContact O-CD2 3.09Å; Q777-H781 VanDerWaalsContact O-CD2 3.31Å; Q777-H781 PolarHBondContact O-N 2.91Å; L778-H781 PolarHBondContact O-N 2.84Å
782	V	75	Confident	75.5	Confident	18 Å²	18	67.3 Å²	67.3	11%	0.109	33%	0.334	C	S	.	.	H	α-helix	trans	-94.6	-34.7	-174	-179.1	0	0	0	0	112.7	F754 A758 L762 L778 R786 L790	F754-V782 HydrophobicContact CD1-CG1 3.9Å; F754-V782 HydrophobicContact CE1-CG1 3.78Å; A758-V782 HydrophobicContact CB-CB 4.48Å; A758-V782 HydrophobicContact CB-CG1 4.35Å; L762-V782 HydrophobicContact CD1-CG2 3.63Å; L778-V782 VanDerWaalsContact O-CB 3.24Å; L778-V782 WeakPolarHBondContact O-CB 3.4Å; L778-V782 VanDerWaalsContact O-CG2 3.3Å; L778-V782 WeakPolarHBondContact O-CG2 3.17Å; L778-V782 PolarHBondContact O-N 3.06Å; V782-R786 HydrophobicContact CG1-CB 4.03Å; V782-L790 HydrophobicContact CG2-CD1 3.6Å
783	G	73.6	Confident	74.9	Confident	25 Å²	25	63.6 Å²	63.6	26%	0.258	31%	0.313	S	S	.	.			trans	89.8	154.8	-158.1	0	0	0	0	0	111.9	E779 E785 C787	E779-G783 VanDerWaalsContact O-CA 3.22Å; E779-G783 WeakPolarHBondContact O-CA 3.36Å; E779-G783 PolarHBondContact O-N 2.96Å; G783-E785 VanDerWaalsContact C-N 3.33Å; G783-E785 PolarHBondContact O-N 2.89Å; G783-C787 PolarHBondContact O-N 3.42Å
784	P	70.8	Confident	74.3	Confident	92 Å²	92	63.4 Å²	63.4	60%	0.597	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-68.3	-29.2	-174.3	27.6	-35.3	0	0	0	113.6	R786 C787	P784-R786 PolarHBondContact O-N 3.42Å; P784-R786 VanDerWaalsContact O-N 3.16Å; P784-C787 PolarHBondContact O-SG 2.8Å
785	E	65.6	Low	73.5	Confident	186 Å²	186	64.6 Å²	64.6	87%	0.869	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-64.8	-22.7	-172.9	-61.5	-177.3	162.8	0	0	114.2	G783	G783-E785 VanDerWaalsContact C-N 3.33Å; G783-E785 PolarHBondContact O-N 2.89Å
786	R	72.1	Confident	72.1	Confident	65 Å²	65	60.2 Å²	60.2	25%	0.245	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-133.5	11.6	-177.7	-53.7	-164.3	71.3	-158.6	-9.3	114	H752 Q753 F754 V782 P784 D788 E789	H752-R786 VanDerWaalsContact O-CZ 3.25Å; H752-R786 PolarHBondContact O-NH1 3.31Å; H752-R786 PolarHBondContact O-NH2 2.91Å; Q753-R786 PolarHBondContact O-NH1 2.64Å; F754-R786 HydrophobicContact CD1-CB 4.3Å; F754-R786 HydrophobicContact CE1-CB 3.78Å; F754-R786 WeakPolarHBondContact CE1-O 3.34Å; F754-R786 HydrophobicContact CZ-CB 4.47Å; V782-R786 HydrophobicContact CG1-CB 4.03Å; P784-R786 PolarHBondContact O-N 3.42Å; P784-R786 VanDerWaalsContact O-N 3.16Å; R786-D788 VanDerWaalsContact C-N 3.26Å; R786-D788 PolarHBondContact O-N 3.3Å; R786-E789 IonicContact CZ-OE1 3.7Å; R786-E789 IonicContact CZ-OE2 3.54Å; R786-E789 IonicContact NE-OE1 3.74Å; R786-E789 PolarHBondContact NE-OE1 2.89Å; R786-E789 IonicContact NE-OE2 2.77Å; R786-E789 VanDerWaalsContact NH2-CD 3.31Å; R786-E789 IonicContact NH2-OE1 3.58Å; R786-E789 PolarHBondContact NH2-OE1 2.76Å; R786-E789 IonicContact NH2-OE2 3.36Å; R786-E789 PolarHBondContact NH2-OE2 3.38Å
787	C	76.5	Confident	70	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.007	33%	0.328	C	S	.	.	H	α-helix	trans	-63.9	-35.9	176.2	66.9	0	0	0	0	111.7	R775 E779 G783 P784 L790 F791	R775-C787 PolarHBondContact NH2-SG 3.36Å; R775-C787 VanDerWaalsContact NH2-SG 3.41Å; E779-C787 HydrophobicContact CG-CB 3.63Å; E779-C787 WeakPolarHBondContact CG-SG 3.17Å; G783-C787 PolarHBondContact O-N 3.42Å; P784-C787 PolarHBondContact O-SG 2.8Å; C787-L790 PolarHBondContact O-N 3.36Å; C787-F791 WeakPolarHBondContact O-CB 3.17Å; C787-F791 PolarHBondContact O-N 3.05Å
788	D	72.9	Confident	69.5	Low	48 Å²	48	64.4 Å²	64.4	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-65.7	-44.1	-179.4	-79.2	-53.5	0	0	0	112.3	R775 R786 L790 F791 Y792	R775-D788 IonicContact CZ-OD1 2.89Å; R775-D788 VanDerWaalsContact CZ-OD1 3.31Å; R775-D788 IonicContact CZ-OD2 2.69Å; R775-D788 IonicContact NH1-OD1 2.74Å; R775-D788 PolarHBondContact NH1-OD1 3.19Å; R775-D788 IonicContact NH1-OD2 3.62Å; R775-D788 PolarHBondContact NH1-OD2 2.82Å; R775-D788 IonicContact NH2-OD1 3.53Å; R775-D788 PolarHBondContact NH2-OD1 3.48Å; R775-D788 IonicContact NH2-OD2 2.67Å; R775-D788 PolarHBondContact NH2-OD2 3.1Å; R786-D788 VanDerWaalsContact C-N 3.26Å; R786-D788 PolarHBondContact O-N 3.3Å; D788-L790 VanDerWaalsContact C-N 3.3Å; D788-L790 PolarHBondContact O-N 2.96Å; D788-F791 PolarHBondContact O-N 3.33Å; D788-Y792 HydrophobicContact CB-CD2 4.2Å; D788-Y792 HydrophobicContact CB-CE2 4.02Å; D788-Y792 WeakPolarHBondContact O-CB 3.28Å; D788-Y792 WeakPolarHBondContact O-CD2 3.37Å; D788-Y792 PolarHBondContact O-N 2.81Å
789	E	72	Confident	69	Low	82 Å²	82	67.6 Å²	67.6	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-57.5	-43.6	176.5	-69.4	179.7	-105.6	0	0	112.2	F754 R786 A793	F754-E789 HydrophobicContact CZ-CB 4.16Å; R786-E789 IonicContact CZ-OE1 3.7Å; R786-E789 IonicContact CZ-OE2 3.54Å; R786-E789 IonicContact NE-OE1 3.74Å; R786-E789 PolarHBondContact NE-OE1 2.89Å; R786-E789 IonicContact NE-OE2 2.77Å; R786-E789 VanDerWaalsContact NH2-CD 3.31Å; R786-E789 IonicContact NH2-OE1 3.58Å; R786-E789 PolarHBondContact NH2-OE1 2.76Å; R786-E789 IonicContact NH2-OE2 3.36Å; R786-E789 PolarHBondContact NH2-OE2 3.38Å; E789-A793 VanDerWaalsContact O-CB 3.26Å; E789-A793 WeakPolarHBondContact O-CB 3.47Å; E789-A793 PolarHBondContact O-N 3.49Å
790	L	73.5	Confident	68.2	Low	1 Å²	1	68.4 Å²	68.4	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-68.6	-42.3	178.6	-151.8	170.4	0	0	0	110.7	W748 L749 F754 L762 L770 L778 V782 C787 D788 A793 F794	W748-L790 HydrophobicContact CZ3-CG 4.24Å; L749-L790 HydrophobicContact CD2-CD1 3.71Å; L749-L790 HydrophobicContact CD2-CG 4.23Å; F754-L790 HydrophobicContact CE1-CB 4.14Å; F754-L790 HydrophobicContact CE1-CD1 4.15Å; F754-L790 HydrophobicContact CE1-CG 4.47Å; F754-L790 HydrophobicContact CZ-CB 3.97Å; F754-L790 HydrophobicContact CZ-CD1 4.44Å; F754-L790 HydrophobicContact CZ-CG 4.31Å; L762-L790 HydrophobicContact CD1-CD1 3.35Å; L770-L790 HydrophobicContact CB-CD2 4.38Å; L770-L790 HydrophobicContact CD1-CD2 4.27Å; L770-L790 HydrophobicContact CD2-CD2 4.39Å; L778-L790 HydrophobicContact CD2-CD1 4.08Å; L778-L790 HydrophobicContact CD2-CD2 3.84Å; L778-L790 HydrophobicContact CD2-CG 4.45Å; V782-L790 HydrophobicContact CG2-CD1 3.6Å; C787-L790 PolarHBondContact O-N 3.36Å; D788-L790 VanDerWaalsContact C-N 3.3Å; D788-L790 PolarHBondContact O-N 2.96Å; L790-A793 PolarHBondContact O-N 3.01Å; L790-F794 HydrophobicContact CD2-CD2 3.79Å; L790-F794 HydrophobicContact CD2-CE2 3.62Å; L790-F794 WeakPolarHBondContact O-CD2 3.15Å
791	F	72	Confident	67.5	Low	54 Å²	54	63.8 Å²	63.8	24%	0.237	33%	0.327	C	S	.	.	H	α-helix	trans	-60.4	-45.6	176.2	-170.8	-98	0	0	0	112.2	L778 C787 D788 R795	L778-F791 HydrophobicContact CD1-CD2 4.11Å; C787-F791 WeakPolarHBondContact O-CB 3.17Å; C787-F791 PolarHBondContact O-N 3.05Å; D788-F791 PolarHBondContact O-N 3.33Å; F791-R795 WeakPolarHBondContact O-CB 3.29Å; F791-R795 PolarHBondContact O-N 2.75Å
792	Y	71.5	Confident	67.1	Low	130 Å²	130	64.3 Å²	64.3	51%	0.51	33%	0.331	S	S	.	.	H	α-helix	trans	-71	-34.5	177.5	-70.5	-57.4	0	0	0	113.2	D788 F794 R795 G796 T797	D788-Y792 HydrophobicContact CB-CD2 4.2Å; D788-Y792 HydrophobicContact CB-CE2 4.02Å; D788-Y792 WeakPolarHBondContact O-CB 3.28Å; D788-Y792 WeakPolarHBondContact O-CD2 3.37Å; D788-Y792 PolarHBondContact O-N 2.81Å; Y792-F794 VanDerWaalsContact C-N 3.28Å; Y792-F794 PolarHBondContact O-N 2.85Å; Y792-R795 PolarHBondContact O-N 3.2Å; Y792-G796 WeakPolarHBondContact O-CA 3.41Å; Y792-G796 PolarHBondContact O-N 2.83Å; Y792-T797 HydrophobicContact CD1-CG2 4.17Å; Y792-T797 HydrophobicContact CE1-CG2 4.36Å
793	A	67.7	Low	66.5	Low	14 Å²	14	67.3 Å²	67.3	12%	0.116	35%	0.346	C	S	.	.	H	α-helix	trans	-61.3	-33.3	-179.3	0	0	0	0	0	114.4	L736 W748 E789 L790	L736-A793 PolarHBondContact N-O 3.38Å; W748-A793 HydrophobicContact CH2-CB 3.34Å; W748-A793 HydrophobicContact CZ2-CB 3.11Å; W748-A793 HydrophobicContact CZ3-CB 4.28Å; E789-A793 VanDerWaalsContact O-CB 3.26Å; E789-A793 WeakPolarHBondContact O-CB 3.47Å; E789-A793 PolarHBondContact O-N 3.49Å; L790-A793 PolarHBondContact O-N 3.01Å
794	F	64.2	Low	66	Low	11 Å²	11	70.4 Å²	70.4	5%	0.048	35%	0.352	C	S	.	.	H	α-helix	trans	-83.8	-53.8	173.2	-80.7	-83.4	0	0	0	112.3	R735 L736 V745 G767 L770 Y771 L790 Y792	R735-F794 PolarHBondContact NH2-O 2.98Å; L736-F794 HydrophobicContact CB-CD1 4.12Å; L736-F794 HydrophobicContact CB-CE1 3.75Å; L736-F794 HydrophobicContact CB-CE2 4.17Å; L736-F794 HydrophobicContact CB-CZ 3.81Å; L736-F794 HydrophobicContact CD2-CE1 3.67Å; L736-F794 HydrophobicContact CD2-CE2 4.11Å; L736-F794 HydrophobicContact CD2-CZ 3.27Å; L736-F794 HydrophobicContact CG-CE1 4.1Å; L736-F794 HydrophobicContact CG-CZ 4.06Å; L736-F794 VanDerWaalsContact O-CD1 3.24Å; L736-F794 WeakPolarHBondContact O-CD1 3.29Å; V745-F794 HydrophobicContact CG2-CZ 4.37Å; G767-F794 VanDerWaalsContact O-CE1 3.27Å; G767-F794 WeakPolarHBondContact O-CE1 3.32Å; L770-F794 HydrophobicContact CB-CD2 4.29Å; L770-F794 HydrophobicContact CB-CE1 4.42Å; L770-F794 HydrophobicContact CB-CE2 3.59Å; L770-F794 HydrophobicContact CB-CZ 3.63Å; L770-F794 HydrophobicContact CD1-CE2 3.73Å; L770-F794 HydrophobicContact CD1-CZ 3.72Å; L770-F794 HydrophobicContact CG-CE2 4.3Å; L770-F794 HydrophobicContact CG-CZ 4.3Å; Y771-F794 HydrophobicContact CD2-CB 4.35Å; L790-F794 HydrophobicContact CD2-CD2 3.79Å; L790-F794 HydrophobicContact CD2-CE2 3.62Å; L790-F794 WeakPolarHBondContact O-CD2 3.15Å; Y792-F794 VanDerWaalsContact C-N 3.28Å; Y792-F794 PolarHBondContact O-N 2.85Å
795	R	59.6	Low	65.7	Low	104 Å²	104	68.7 Å²	68.7	39%	0.392	33%	0.333	S	S	.	.	H	α-helix	trans	-78.4	-28.6	-167.6	-63.6	-176.9	174.5	-141.8	-2.2	112.3	R735 Y771 F791 Y792	R735-R795 PolarHBondContact NH2-O 3.2Å; Y771-R795 HydrophobicContact CD2-CG 4.39Å; Y771-R795 HydrophobicContact CE2-CG 4.31Å; Y771-R795 PolarHBondContact O-NH2 3Å; F791-R795 WeakPolarHBondContact O-CB 3.29Å; F791-R795 PolarHBondContact O-N 2.75Å; Y792-R795 PolarHBondContact O-N 3.2Å
796	G	48.7	Very low	65.7	Low	13 Å²	13	58.9 Å²	58.9	13%	0.134	29%	0.289	C	S	.	.			trans	37.6	79.7	166.4	0	0	0	0	0	114.6	R735 Y792	R735-G796 VanDerWaalsContact CZ-CA 3.5Å; R735-G796 VanDerWaalsContact CZ-O 3.25Å; R735-G796 PolarHBondContact NH1-O 2.81Å; R735-G796 PolarHBondContact NH2-O 3.35Å; R735-G796 VanDerWaalsContact NH2-O 3.11Å; Y792-G796 WeakPolarHBondContact O-CA 3.41Å; Y792-G796 PolarHBondContact O-N 2.83Å
797	T	37.4	Very low	65.1	Low	184 Å²	184	58.4 Å²	58.4	100%	1.129	29%	0.293	S	S	*	.			trans	-7.2	0	172.5	61.9	0	0	0	0	116.1	Y792	Y792-T797 HydrophobicContact CD1-CG2 4.17Å; Y792-T797 HydrophobicContact CE1-CG2 4.36Å

Retrieved 797 of 797 residues in 689.9 ms (Link to these results)

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