A0A087YJ74_POEFO Loading...

E3 ubiquitin-protein ligase

AlphaFold DB , UniProt , Accession A0A087YJ74, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 771 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	S	36.2	Very low	37.5	Very low	184 Å²	184	151.2 Å²	151.2	100%	1.287	85%	0.85	S	S	*	*				0	120.7	0	-49.7	0	0	0	0	109.1
2	A	29.8	Very low	39.1	Very low	103 Å²	103	143.4 Å²	143.4	85%	0.851	81%	0.808	S	S	*	*			trans	-141.9	133.9	169.6	0	0	0	0	0	106.6
3	E	29.4	Very low	40.9	Very low	184 Å²	184	136.6 Å²	136.6	86%	0.86	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-74.1	152.4	-173.1	-69	176	124	0	0	112.2	Q5	E3-Q5 PolarHBondContact O-N 3.31Å
4	P	37.1	Very low	42.7	Very low	125 Å²	125	129.9 Å²	129.9	81%	0.812	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-71.5	124.3	176.3	29.7	-33.5	0	0	0	110.6
5	Q	35.6	Very low	44.7	Very low	190 Å²	190	121.5 Å²	121.5	89%	0.888	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-60.9	139.5	172	-73.6	-175.3	-12.4	0	0	111	E3	E3-Q5 PolarHBondContact O-N 3.31Å
6	A	36.6	Very low	46.4	Very low	96 Å²	96	117.2 Å²	117.2	79%	0.793	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-65.3	135.6	-172.2	0	0	0	0	0	112.8
7	R	33.8	Very low	48.3	Very low	234 Å²	234	110.4 Å²	110.4	88%	0.883	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-63.2	127.9	177.4	-65.1	-177.8	-176.5	179.6	0.9	111.3	K9	R7-K9 PolarHBondContact O-N 3.16Å
8	P	37.9	Very low	49.9	Very low	106 Å²	106	106 Å²	106	69%	0.688	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-65.4	128.5	168	-17.6	31	0	0	0	110.5	G10	P8-G10 PolarHBondContact O-N 3.31Å
9	K	39.2	Very low	51.4	Low	225 Å²	225	100.4 Å²	100.4	98%	0.978	57%	0.569	S	S	*	*	S	Bend	trans	-77.5	87.2	173.6	-73.1	-177	177.9	178.7	0	110.4	R7	R7-K9 PolarHBondContact O-N 3.16Å
10	G	44.9	Very low	52.6	Low	54 Å²	54	97.6 Å²	97.6	56%	0.557	55%	0.552	S	S	*	*	S	Bend	trans	-153.4	171.4	170.4	0	0	0	0	0	111	P8 V12	P8-G10 PolarHBondContact O-N 3.31Å; G10-V12 PolarHBondContact O-N 2.83Å
11	H	51.9	Low	53.7	Low	162 Å²	162	93.5 Å²	93.5	75%	0.75	53%	0.53	S	S	*	.			trans	-68.9	84.9	169.9	-96.4	-79.1	0	0	0	109.7
12	V	57.2	Low	55.6	Low	58 Å²	58	84.8 Å²	84.8	35%	0.352	47%	0.468	S	S	.	.			trans	-94.3	133.8	172.6	178.7	0	0	0	0	108	G10 Y69	G10-V12 PolarHBondContact O-N 2.83Å; V12-Y69 HydrophobicContact CG1-CD1 4.31Å
13	S	61.8	Low	57.9	Low	55 Å²	55	85 Å²	85	39%	0.385	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.5	174.7	-68.4	0	0	0	0	109.5	F15 I70	S13-F15 VanDerWaalsContact CB-CE2 3.44Å; S13-F15 WeakPolarHBondContact O-CD2 3.42Å; S13-I70 PolarHBondContact N-O 2.83Å; S13-I70 PolarHBondContact O-N 2.86Å
14	T	66.5	Low	60.4	Low	43 Å²	43	80.5 Å²	80.5	26%	0.264	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129.3	178.6	-45.4	0	0	0	0	109.8	D67 Y69 L140	T14-D67 HydrophobicContact CG2-CB 4.45Å; T14-Y69 HydrophobicContact CG2-CD1 4.26Å; T14-Y69 HydrophobicContact CG2-CE1 3.94Å; T14-L140 HydrophobicContact CG2-CD1 4.38Å; T14-L140 PolarHBondContact O-N 3.37Å
15	F	72.8	Confident	62.5	Low	3 Å²	3	74.6 Å²	74.6	1%	0.013	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.1	177.7	-73.3	-78.9	0	0	0	110.5	S13 F17 L68 I70 K109 V138	S13-F15 VanDerWaalsContact CB-CE2 3.44Å; S13-F15 WeakPolarHBondContact O-CD2 3.42Å; F15-F17 PolarHBondContact O-N 3.11Å; F15-L68 PolarHBondContact N-O 3.23Å; F15-L68 PolarHBondContact O-N 2.76Å; F15-I70 HydrophobicContact CB-CD1 4.07Å; F15-I70 HydrophobicContact CD2-CB 3.88Å; F15-I70 HydrophobicContact CD2-CD1 3.58Å; F15-I70 HydrophobicContact CD2-CG1 3.79Å; F15-I70 HydrophobicContact CE2-CB 4.23Å; F15-I70 HydrophobicContact CE2-CD1 4.48Å; F15-I70 HydrophobicContact CG-CD1 3.97Å; F15-K109 HydrophobicContact CE1-CB 4.49Å; F15-K109 HydrophobicContact CE1-CD 3.53Å; F15-K109 HydrophobicContact CE1-CG 3.78Å; F15-K109 HydrophobicContact CZ-CD 3.64Å; F15-K109 HydrophobicContact CZ-CG 4.36Å; F15-V138 WeakPolarHBondContact CA-O 3.44Å
16	L	72.1	Confident	64.5	Low	53 Å²	53	65.8 Å²	65.8	28%	0.277	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	114.1	165.6	179	67.1	0	0	0	107.3	H65 D67 V138 L140	L16-H65 HydrophobicContact CD1-CB 3.9Å; L16-D67 WeakPolarHBondContact CD1-OD1 3.47Å; L16-V138 HydrophobicContact CB-CB 4.34Å; L16-V138 PolarHBondContact N-O 2.82Å; L16-V138 PolarHBondContact O-N 2.88Å; L16-L140 HydrophobicContact CB-CD1 4.23Å; L16-L140 HydrophobicContact CB-CG 4.47Å
17	F	79	Confident	66.4	Low	2 Å²	2	66.5 Å²	66.5	1%	0.009	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	105.5	-173.5	-165.9	-94.8	0	0	0	110.6	F15 V19 V40 H65 Y66 L68 I76 I78 L100 E135 P137	F15-F17 PolarHBondContact O-N 3.11Å; F17-V19 HydrophobicContact CD1-CG2 4.06Å; F17-V19 HydrophobicContact CE1-CG2 3.83Å; F17-V40 HydrophobicContact CD1-CG1 4.45Å; F17-V40 HydrophobicContact CE1-CG2 4.5Å; F17-H65 CarbonylContact O-C 3.6Å; F17-H65 WeakPolarHBondContact O-CA 3.44Å; F17-Y66 PolarHBondContact N-O 3.27Å; F17-Y66 PolarHBondContact O-N 3.2Å; F17-L68 HydrophobicContact CB-CD1 3.56Å; F17-L68 HydrophobicContact CB-CG 3.93Å; F17-L68 HydrophobicContact CD1-CD1 4.12Å; F17-L68 HydrophobicContact CD2-CD1 4.36Å; F17-L68 HydrophobicContact CG-CD1 3.75Å; F17-I76 HydrophobicContact CD2-CD1 4.38Å; F17-I76 HydrophobicContact CE2-CD1 4.31Å; F17-I78 HydrophobicContact CE1-CD1 3.67Å; F17-I78 HydrophobicContact CE1-CG1 4.42Å; F17-I78 HydrophobicContact CZ-CD1 3.46Å; F17-I78 VanDerWaalsContact CZ-CD1 3.46Å; F17-L100 HydrophobicContact CE2-CD1 4.42Å; F17-L100 HydrophobicContact CZ-CD1 4.49Å; F17-E135 HydrophobicContact CE1-CB 4.38Å; F17-E135 HydrophobicContact CZ-CB 3.95Å; F17-E135 VanDerWaalsContact CZ-CD 3.46Å; F17-E135 HydrophobicContact CZ-CG 4.2Å; F17-E135 WeakPolarHBondContact CZ-OE1 3.3Å; F17-P137 HydrophobicContact CD2-CB 3.95Å; F17-P137 HydrophobicContact CE2-CB 4.05Å
18	L	75.8	Confident	68	Low	31 Å²	31	57.9 Å²	57.9	16%	0.162	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.5	179.5	173.1	66.8	0	0	0	110.4	L20 H65 Y113 E135 K136	L18-L20 HydrophobicContact CD2-CD1 4.3Å; L18-H65 HydrophobicContact CB-CB 4.46Å; L18-H65 HydrophobicContact CD1-CB 4.2Å; L18-Y113 HydrophobicContact CD2-CE1 3.93Å; L18-E135 CarbonylContact O-C 3.34Å; L18-E135 WeakPolarHBondContact O-CA 3.45Å; L18-E135 WeakPolarHBondContact O-CB 3.41Å; L18-K136 HydrophobicContact CB-CB 4.19Å; L18-K136 HydrophobicContact CD2-CB 4.3Å; L18-K136 PolarHBondContact N-O 2.94Å; L18-K136 VanDerWaalsContact N-O 3.11Å; L18-K136 PolarHBondContact O-N 3.18Å
19	V	79.3	Confident	69.2	Low	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	107.2	167.8	-176.7	0	0	0	0	108.1	F17 A38 V40 T51 W62 N63 Q64 Y66 I133	F17-V19 HydrophobicContact CD1-CG2 4.06Å; F17-V19 HydrophobicContact CE1-CG2 3.83Å; V19-A38 HydrophobicContact CG1-CB 4.18Å; V19-V40 HydrophobicContact CG2-CG2 3.77Å; V19-T51 HydrophobicContact CB-CG2 4.49Å; V19-T51 HydrophobicContact CG1-CG2 4.37Å; V19-W62 HydrophobicContact CG1-CE3 3.77Å; V19-W62 HydrophobicContact CG1-CZ3 4.17Å; V19-N63 WeakPolarHBondContact O-CA 3.39Å; V19-N63 PolarHBondContact O-N 3.17Å; V19-Q64 PolarHBondContact N-O 3.09Å; V19-Q64 PolarHBondContact O-N 3.46Å; V19-Q64 VanDerWaalsContact O-N 3.1Å; V19-Y66 HydrophobicContact CG2-CE2 4.22Å; V19-I133 HydrophobicContact CG1-CD1 4.07Å; V19-I133 HydrophobicContact CG1-CG1 4.47Å
20	L	74.5	Confident	69.9	Low	43 Å²	43	52.8 Å²	52.8	23%	0.225	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-64.1	-171.9	-168.3	81.3	0	0	0	111.2	L18 W62 N63 Y113 V134	L18-L20 HydrophobicContact CD2-CD1 4.3Å; L20-W62 PolarHBondContact O-N 3.29Å; L20-N63 WeakPolarHBondContact CD1-OD1 3.35Å; L20-N63 PolarHBondContact O-N 3.28Å; L20-N63 PolarHBondContact O-OD1 3.06Å; L20-Y113 HydrophobicContact CD1-CE1 4.06Å; L20-Y113 HydrophobicContact CD2-CD1 4.28Å; L20-Y113 HydrophobicContact CD2-CE1 4.08Å; L20-Y113 HydrophobicContact CG-CE1 4.48Å; L20-V134 HydrophobicContact CB-CG1 4.28Å; L20-V134 WeakPolarHBondContact CB-O 3.49Å; L20-V134 HydrophobicContact CD2-CG1 4.01Å; L20-V134 PolarHBondContact N-O 3.38Å
21	C	75.9	Confident	70	Confident	13 Å²	13	59 Å²	59	9%	0.088	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	163.9	-178	60.5	0	0	0	0	112	P60 K61 V134	C21-P60 CarbonylContact C-O 3.6Å; C21-P60 WeakPolarHBondContact CA-O 3.42Å; C21-P60 WeakPolarHBondContact CB-O 3.47Å; C21-K61 HydrophobicContact CB-CB 4.27Å; C21-K61 HydrophobicContact CB-CG 3.93Å; C21-V134 PolarHBondContact N-O 2.85Å; C21-V134 PolarHBondContact O-N 3.2Å; C21-V134 WeakPolarHBondContact SG-CG2 3.44Å
22	A	76.5	Confident	70.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	160.8	159.3	0	0	0	0	0	110.3	L25 D59 P60 W62 Q132	A22-L25 HydrophobicContact CB-CD1 4.27Å; A22-L25 HydrophobicContact CB-CD2 4.08Å; A22-L25 HydrophobicContact CB-CG 4.25Å; A22-D59 CarbonylContact O-C 3.54Å; A22-D59 VanDerWaalsContact O-C 3.25Å; A22-D59 WeakPolarHBondContact O-CA 3.3Å; A22-P60 HydrophobicContact CB-CG 3.94Å; A22-P60 PolarHBondContact N-O 3.08Å; A22-P60 WeakPolarHBondContact O-CD 3.5Å; A22-W62 HydrophobicContact CB-CH2 3.71Å; A22-W62 HydrophobicContact CB-CZ3 3.72Å; A22-Q132 CarbonylContact C-O 3.52Å; A22-Q132 WeakPolarHBondContact CA-O 3.37Å; A22-Q132 WeakPolarHBondContact CB-O 3.46Å
23	K	79.1	Confident	71.8	Confident	108 Å²	108	60.6 Å²	60.6	47%	0.47	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.7	-179.4	-66.3	-168.1	176.9	-169	0	112.3	L25 L58 D59 G131 Q132	K23-L25 VanDerWaalsContact C-N 3.25Å; K23-L25 PolarHBondContact O-N 3.44Å; K23-L58 CarbonylContact C-O 3.59Å; K23-D59 WeakPolarHBondContact CA-OD1 3.47Å; K23-D59 WeakPolarHBondContact CB-OD1 3.37Å; K23-G131 CarbonylContact O-C 3.55Å; K23-G131 WeakPolarHBondContact O-CA 3.2Å; K23-Q132 PolarHBondContact N-O 2.86Å; K23-Q132 PolarHBondContact O-N 2.86Å
24	N	80.4	Confident	72.8	Confident	89 Å²	89	58.2 Å²	58.2	48%	0.476	27%	0.27	S	S	.	.	S	Bend	trans	51.4	40.9	174.6	-166.4	8	0	0	0	113.3	L58 D59 R130 G131	N24-L58 PolarHBondContact N-O 2.94Å; N24-D59 PolarHBondContact N-OD1 3.05Å; N24-R130 CarbonylContact O-C 3.47Å; N24-R130 WeakPolarHBondContact O-CG 3.29Å; N24-R130 WeakPolarHBondContact OD1-CD 3.42Å; N24-G131 WeakPolarHBondContact O-CA 3.4Å; N24-G131 PolarHBondContact O-N 3.25Å
25	L	81.1	Confident	73.7	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	26%	0.261	C	S	.	.			trans	-60.4	150.6	177.6	-67.5	173.7	0	0	0	111.6	A22 K23 K27 P36 L58 P60 V80 L95 L118 R130	A22-L25 HydrophobicContact CB-CD1 4.27Å; A22-L25 HydrophobicContact CB-CD2 4.08Å; A22-L25 HydrophobicContact CB-CG 4.25Å; K23-L25 VanDerWaalsContact C-N 3.25Å; K23-L25 PolarHBondContact O-N 3.44Å; L25-K27 PolarHBondContact O-N 3.42Å; L25-K27 VanDerWaalsContact O-N 3.16Å; L25-P36 HydrophobicContact CD1-CB 3.67Å; L25-P36 HydrophobicContact CD1-CG 3.97Å; L25-L58 HydrophobicContact CB-CB 4.26Å; L25-L58 HydrophobicContact CB-CD2 4.48Å; L25-L58 WeakPolarHBondContact CB-O 3.46Å; L25-L58 VanDerWaalsContact CG-O 3.24Å; L25-L58 WeakPolarHBondContact CG-O 3.39Å; L25-L58 PolarHBondContact N-O 3.16Å; L25-L58 WeakPolarHBondContact O-CD2 3.36Å; L25-P60 HydrophobicContact CD1-CG 3.84Å; L25-V80 HydrophobicContact CD1-CG1 4.01Å; L25-V80 HydrophobicContact CD2-CG1 4.12Å; L25-L95 HydrophobicContact CD1-CD1 4.14Å; L25-L95 HydrophobicContact CD2-CB 4.5Å; L25-L118 HydrophobicContact CD2-CD1 3.33Å; L25-R130 WeakPolarHBondContact CA-O 3.5Å
26	A	78.2	Confident	74.4	Confident	6 Å²	6	56.7 Å²	56.7	5%	0.05	26%	0.261	C	S	.	.			trans	-63.2	115.8	178.1	0	0	0	0	0	112.6	K28 T128 R130	A26-K28 HydrophobicContact CB-CG 4.46Å; A26-K28 PolarHBondContact O-N 3.33Å; A26-T128 HydrophobicContact CB-CG2 4.45Å; A26-T128 VanDerWaalsContact CB-O 3.26Å; A26-T128 WeakPolarHBondContact CB-O 3.47Å; A26-R130 HydrophobicContact CB-CB 4.11Å; A26-R130 PolarHBondContact N-O 2.84Å
27	K	75.8	Confident	75.2	Confident	110 Å²	110	55.1 Å²	55.1	48%	0.478	25%	0.252	S	S	.	.			trans	-72.6	89.2	171.7	-173.6	178.2	172.3	-171.2	0	110.5	L25 D29 F30 L33 L58	L25-K27 PolarHBondContact O-N 3.42Å; L25-K27 VanDerWaalsContact O-N 3.16Å; K27-D29 VanDerWaalsContact C-N 3.3Å; K27-D29 WeakPolarHBondContact CE-O 3.34Å; K27-D29 WeakPolarHBondContact CG-O 3.44Å; K27-D29 PolarHBondContact O-N 3.45Å; K27-F30 WeakPolarHBondContact CE-O 3.37Å; K27-F30 PolarHBondContact NZ-O 2.9Å; K27-L33 HydrophobicContact CD-CD2 4Å; K27-L33 HydrophobicContact CG-CD2 4.27Å; K27-L58 HydrophobicContact CB-CD1 4.01Å; K27-L58 HydrophobicContact CB-CD2 4.02Å
28	K	67.9	Low	75.6	Confident	53 Å²	53	55 Å²	55	23%	0.23	25%	0.251	C	S	.	.			trans	-79.5	2.2	-179.6	-66.9	-168	175	-177.6	0	115.6	A26 F94 L95 D127 T128	A26-K28 HydrophobicContact CB-CG 4.46Å; A26-K28 PolarHBondContact O-N 3.33Å; K28-F94 WeakPolarHBondContact CE-O 3.4Å; K28-F94 PolarHBondContact NZ-O 2.77Å; K28-L95 HydrophobicContact CD-CD2 4.32Å; K28-L95 HydrophobicContact CG-CD2 4.47Å; K28-D127 IonicContact NZ-OD1 2.75Å; K28-D127 PolarHBondContact NZ-OD1 2.92Å; K28-D127 IonicContact NZ-OD2 2.88Å; K28-T128 WeakPolarHBondContact CE-O 3.09Å
29	D	63.7	Low	76.1	Confident	57 Å²	57	57.1 Å²	57.1	31%	0.305	26%	0.259	S	S	.	.	S	Bend	trans	-136.3	128.1	174.1	-69.2	-63.9	0	0	0	109.7	K27 F31 R32 K85	K27-D29 VanDerWaalsContact C-N 3.3Å; K27-D29 WeakPolarHBondContact CE-O 3.34Å; K27-D29 WeakPolarHBondContact CG-O 3.44Å; K27-D29 PolarHBondContact O-N 3.45Å; D29-F31 VanDerWaalsContact C-N 3.34Å; D29-F31 PolarHBondContact O-N 2.92Å; D29-R32 HydrophobicContact CB-CB 4.43Å; D29-K85 WeakPolarHBondContact OD1-CE 3.26Å; D29-K85 IonicContact OD1-NZ 3.51Å; D29-K85 PolarHBondContact OD1-NZ 2.79Å; D29-K85 WeakPolarHBondContact OD2-CE 3.16Å; D29-K85 IonicContact OD2-NZ 3.06Å; D29-K85 PolarHBondContact OD2-NZ 3.16Å
30	F	52.6	Low	76.4	Confident	168 Å²	168	57.2 Å²	57.2	74%	0.737	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-39.3	-174.9	-163.8	-96.2	0	0	0	112.9	K27	K27-F30 WeakPolarHBondContact CE-O 3.37Å; K27-F30 PolarHBondContact NZ-O 2.9Å
31	F	48.5	Very low	76.7	Confident	185 Å²	185	57 Å²	57	81%	0.811	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-1.7	-173.1	-59.7	-77.3	0	0	0	115.3	D29	D29-F31 VanDerWaalsContact C-N 3.34Å; D29-F31 PolarHBondContact O-N 2.92Å
32	R	68.4	Low	77.1	Confident	188 Å²	188	56.3 Å²	56.3	71%	0.709	26%	0.256	S	S	*	.			trans	-144	141.7	-176.4	-65	-173.2	-177.8	-177	1.1	111.9	D29	D29-R32 HydrophobicContact CB-CB 4.43Å
33	L	78	Confident	76.9	Confident	64 Å²	64	59.5 Å²	59.5	34%	0.335	27%	0.272	S	S	.	.			trans	-84.9	147.9	172.8	-61.2	-178.5	0	0	0	110.7	K27 N56 L58 K84	K27-L33 HydrophobicContact CD-CD2 4Å; K27-L33 HydrophobicContact CG-CD2 4.27Å; L33-N56 VanDerWaalsContact CB-C 3.44Å; L33-N56 HydrophobicContact CB-CB 4.3Å; L33-N56 VanDerWaalsContact CD1-O 3.26Å; L33-N56 WeakPolarHBondContact CD1-O 3.41Å; L33-L58 HydrophobicContact CD2-CD1 4.27Å; L33-L58 HydrophobicContact CD2-CD2 4.1Å; L33-L58 HydrophobicContact CD2-CG 4.01Å; L33-K84 PolarHBondContact O-NZ 2.88Å
34	P	82.1	Confident	76.3	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.032	28%	0.276	C	S	.	.			trans	-70.6	166	178.8	30.2	-32.6	0	0	0	111.5	P36 N56 T57 L58 N82 L95	P34-P36 WeakPolarHBondContact O-CD 3.46Å; P34-N56 CarbonylContact O-C 3.58Å; P34-N56 WeakPolarHBondContact O-CA 3.42Å; P34-N56 PolarHBondContact O-N 3.1Å; P34-N56 VanDerWaalsContact O-N 3.13Å; P34-T57 WeakPolarHBondContact CG-O 3.44Å; P34-T57 PolarHBondContact O-N 3.5Å; P34-L58 VanDerWaalsContact CD-CD2 3.45Å; P34-L58 HydrophobicContact CG-CD2 3.73Å; P34-N82 HydrophobicContact CB-CB 3.92Å; P34-N82 VanDerWaalsContact CB-CG 3.45Å; P34-N82 WeakPolarHBondContact CB-ND2 3.32Å; P34-L95 HydrophobicContact CB-CD1 4.12Å; P34-L95 HydrophobicContact CG-CD1 4.25Å
35	D	86.8	Confident	75.7	Confident	14 Å²	14	55.2 Å²	55.2	8%	0.075	27%	0.272	C	S	.	.			trans	-108	79.1	169.1	-73.1	1.3	0	0	0	109	T53 V54 R55 N56 N82 H83 K84	D35-T53 HydrophobicContact CB-CG2 3.75Å; D35-V54 CarbonylContact C-O 3.57Å; D35-V54 VanDerWaalsContact C-O 3.25Å; D35-V54 WeakPolarHBondContact CA-O 3.48Å; D35-R55 VanDerWaalsContact OD1-CA 3.24Å; D35-R55 WeakPolarHBondContact OD1-CA 3.36Å; D35-N56 PolarHBondContact OD1-N 2.79Å; D35-N82 PolarHBondContact N-OD1 3.29Å; D35-N82 CarbonylContact O-C 3.55Å; D35-N82 WeakPolarHBondContact O-CA 3.14Å; D35-H83 HydrophobicContact CB-CB 4.1Å; D35-H83 WeakPolarHBondContact O-CB 3.25Å; D35-H83 PolarHBondContact O-N 2.82Å; D35-K84 HydrophobicContact CB-CD 4.15Å; D35-K84 HydrophobicContact CB-CG 4.11Å; D35-K84 WeakPolarHBondContact OD1-CE 3.22Å; D35-K84 IonicContact OD1-NZ 2.63Å; D35-K84 PolarHBondContact OD1-NZ 2.9Å; D35-K84 WeakPolarHBondContact OD2-CD 3.32Å; D35-K84 WeakPolarHBondContact OD2-CE 3.24Å; D35-K84 WeakPolarHBondContact OD2-CG 3.17Å; D35-K84 IonicContact OD2-NZ 3.18Å
36	P	87.6	Confident	74.9	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	139	-174	30.3	-39.6	0	0	0	114.6	L25 P34 V54 T57 P60 W62 V80 W81 L95	L25-P36 HydrophobicContact CD1-CB 3.67Å; L25-P36 HydrophobicContact CD1-CG 3.97Å; P34-P36 WeakPolarHBondContact O-CD 3.46Å; P36-V54 WeakPolarHBondContact CD-O 3.31Å; P36-V54 PolarHBondContact O-N 2.84Å; P36-T57 WeakPolarHBondContact CD-O 3.49Å; P36-T57 HydrophobicContact CG-CG2 3.8Å; P36-T57 WeakPolarHBondContact CG-O 3.45Å; P36-P60 HydrophobicContact CB-CB 4.37Å; P36-P60 HydrophobicContact CB-CG 3.92Å; P36-P60 HydrophobicContact CG-CB 3.66Å; P36-P60 HydrophobicContact CG-CG 3.55Å; P36-W62 HydrophobicContact CB-CZ2 4.28Å; P36-W62 PolarHBondContact O-NE1 3.12Å; P36-V80 HydrophobicContact CB-CG1 4.09Å; P36-W81 CarbonylContact C-O 3.44Å; P36-W81 VanDerWaalsContact CA-O 3.27Å; P36-W81 WeakPolarHBondContact CA-O 3.46Å; P36-L95 HydrophobicContact CB-CD1 3.98Å
37	F	88.1	Confident	74.9	Confident	20 Å²	20	59.3 Å²	59.3	9%	0.088	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	152.4	161.9	73.7	-84.5	0	0	0	109.9	K39 V80 W81 H83 I86	F37-K39 HydrophobicContact CE2-CB 4.41Å; F37-V80 CarbonylContact O-C 3.54Å; F37-V80 WeakPolarHBondContact O-CA 3.49Å; F37-W81 HydrophobicContact CD1-CB 4.04Å; F37-W81 WeakPolarHBondContact CD1-O 3.2Å; F37-W81 HydrophobicContact CE1-CB 3.5Å; F37-W81 HydrophobicContact CE2-CB 4.28Å; F37-W81 HydrophobicContact CZ-CB 3.64Å; F37-W81 HydrophobicContact CZ-CG 4.2Å; F37-W81 PolarHBondContact N-O 3.05Å; F37-W81 PolarHBondContact O-N 2.77Å; F37-H83 HydrophobicContact CD1-CB 4.14Å; F37-H83 HydrophobicContact CE1-CB 4.34Å; F37-I86 HydrophobicContact CE1-CD1 4.01Å; F37-I86 HydrophobicContact CZ-CD1 3.68Å
38	A	87.9	Confident	75.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	147	174.2	0	0	0	0	0	110.9	V19 S50 T51 W62 S79 V80 I133	V19-A38 HydrophobicContact CG1-CB 4.18Å; A38-S50 CarbonylContact O-C 3.49Å; A38-S50 VanDerWaalsContact O-CA 3.27Å; A38-S50 WeakPolarHBondContact O-CA 3.36Å; A38-T51 HydrophobicContact CB-CG2 3.89Å; A38-T51 PolarHBondContact N-OG1 2.83Å; A38-T51 PolarHBondContact O-N 3.45Å; A38-T51 PolarHBondContact O-OG1 2.86Å; A38-W62 HydrophobicContact CB-CD2 4.43Å; A38-W62 HydrophobicContact CB-CE3 4.19Å; A38-W62 HydrophobicContact CB-CH2 3.78Å; A38-W62 HydrophobicContact CB-CZ2 4.05Å; A38-W62 HydrophobicContact CB-CZ3 3.86Å; A38-S79 CarbonylContact C-O 3.46Å; A38-S79 WeakPolarHBondContact CA-O 3.41Å; A38-V80 HydrophobicContact CB-CG2 4.45Å; A38-I133 HydrophobicContact CB-CD1 4.4Å
39	K	85.6	Confident	75.8	Confident	76 Å²	76	57.6 Å²	57.6	33%	0.33	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.7	177.3	178.6	178.6	-173.3	-176.2	0	109.3	F37 V41 C48 H49 S50 I78 S79	F37-K39 HydrophobicContact CE2-CB 4.41Å; K39-V41 HydrophobicContact CG-CG2 4.19Å; K39-C48 WeakPolarHBondContact CE-SG 3.44Å; K39-H49 CarbonylContact C-O 3.6Å; K39-H49 WeakPolarHBondContact CA-O 3.49Å; K39-S50 WeakPolarHBondContact CG-OG 3.48Å; K39-I78 CarbonylContact O-C 3.43Å; K39-I78 WeakPolarHBondContact O-CA 3.46Å; K39-S79 PolarHBondContact N-O 3.04Å; K39-S79 PolarHBondContact O-N 2.75Å; K39-S79 PolarHBondContact O-OG 2.81Å
40	V	85.6	Confident	76.7	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.3	-179.6	-176	0	0	0	0	108.7	F17 V19 C48 H49 Y66 L68 I76 I78	F17-V40 HydrophobicContact CD1-CG1 4.45Å; F17-V40 HydrophobicContact CE1-CG2 4.5Å; V19-V40 HydrophobicContact CG2-CG2 3.77Å; V40-C48 CarbonylContact O-C 3.58Å; V40-C48 WeakPolarHBondContact O-CA 3.46Å; V40-H49 PolarHBondContact N-O 3.34Å; V40-H49 PolarHBondContact O-N 2.89Å; V40-Y66 HydrophobicContact CG2-CD2 4.28Å; V40-Y66 HydrophobicContact CG2-CE2 4.14Å; V40-L68 HydrophobicContact CG1-CD1 4.05Å; V40-I76 HydrophobicContact CG1-CG2 3.72Å; V40-I78 HydrophobicContact CG1-CG1 4.37Å; V40-I78 HydrophobicContact CG2-CG1 4.39Å; V40-I78 HydrophobicContact CG2-CG2 4.21Å
41	V	81.2	Confident	78.3	Confident	38 Å²	38	50 Å²	50	23%	0.23	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.4	179.8	-178.3	0	0	0	0	109.3	K39 Q47 I76 T77	K39-V41 HydrophobicContact CG-CG2 4.19Å; V41-Q47 CarbonylContact C-O 3.56Å; V41-Q47 VanDerWaalsContact CA-O 3.29Å; V41-Q47 WeakPolarHBondContact CA-O 3.46Å; V41-I76 CarbonylContact O-C 3.57Å; V41-I76 WeakPolarHBondContact O-CA 3.17Å; V41-T77 PolarHBondContact N-O 2.78Å; V41-T77 PolarHBondContact O-N 3.36Å
42	V	82.9	Confident	80.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	107.1	172.9	-171.2	0	0	0	0	108.8	G44 S45 G46 Q47 L68 D74 S75	V42-G44 VanDerWaalsContact C-N 3.27Å; V42-G44 PolarHBondContact O-N 2.84Å; V42-S45 WeakPolarHBondContact CB-OG 3.4Å; V42-S45 WeakPolarHBondContact CG1-OG 3.49Å; V42-S45 PolarHBondContact O-N 3.48Å; V42-G46 PolarHBondContact O-N 3.37Å; V42-Q47 HydrophobicContact CB-CB 4.16Å; V42-Q47 HydrophobicContact CG2-CB 4.04Å; V42-Q47 PolarHBondContact N-O 3.05Å; V42-L68 HydrophobicContact CG2-CB 4.42Å; V42-L68 HydrophobicContact CG2-CD1 4.24Å; V42-L68 HydrophobicContact CG2-CD2 4.15Å; V42-D74 HydrophobicContact CG1-CB 4.14Å; V42-S75 CarbonylContact C-O 3.57Å
43	D	74.4	Confident	80.9	Confident	66 Å²	66	40 Å²	40	35%	0.353	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-29.5	-165.3	-62.4	-16.2	0	0	0	113.2	S75 T77 R99	D43-S75 PolarHBondContact N-O 2.79Å; D43-S75 PolarHBondContact OD2-OG 2.82Å; D43-T77 PolarHBondContact OD1-OG1 3.47Å; D43-T77 VanDerWaalsContact OD1-OG1 3.08Å; D43-T77 PolarHBondContact OD2-OG1 3.2Å; D43-R99 IonicContact OD2-CZ 3.09Å; D43-R99 IonicContact OD2-NE 3.63Å; D43-R99 PolarHBondContact OD2-NE 3.23Å; D43-R99 IonicContact OD2-NH2 3.91Å; D43-R99 PolarHBondContact OD2-NH2 3.34Å
44	G	66.2	Low	81	Confident	53 Å²	53	39 Å²	39	55%	0.546	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-20.8	-177.6	0	0	0	0	0	115.4	V42	V42-G44 VanDerWaalsContact C-N 3.27Å; V42-G44 PolarHBondContact O-N 2.84Å
45	S	66.9	Low	81.1	Confident	55 Å²	55	48.1 Å²	48.1	39%	0.385	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-4	-175.3	52.1	0	0	0	0	114	V42 Q47 Y69	V42-S45 WeakPolarHBondContact CB-OG 3.4Å; V42-S45 WeakPolarHBondContact CG1-OG 3.49Å; V42-S45 PolarHBondContact O-N 3.48Å; S45-Q47 PolarHBondContact O-N 3.17Å; S45-Q47 PolarHBondContact OG-NE2 3.46Å; S45-Y69 PolarHBondContact OG-O 3.07Å
46	G	64.4	Low	80.8	Confident	60 Å²	60	51.7 Å²	51.7	62%	0.619	30%	0.299	S	S	*	.			trans	72.7	4.3	175.6	0	0	0	0	0	115.2	V42	V42-G46 PolarHBondContact O-N 3.37Å
47	Q	78.3	Confident	80.3	Confident	33 Å²	33	53.1 Å²	53.1	15%	0.154	31%	0.307	C	S	.	.			trans	-59.9	138	174.8	-75.1	162.3	100.5	0	0	110.3	V41 V42 S45 Y69	V41-Q47 CarbonylContact C-O 3.56Å; V41-Q47 VanDerWaalsContact CA-O 3.29Å; V41-Q47 WeakPolarHBondContact CA-O 3.46Å; V42-Q47 HydrophobicContact CB-CB 4.16Å; V42-Q47 HydrophobicContact CG2-CB 4.04Å; V42-Q47 PolarHBondContact N-O 3.05Å; S45-Q47 PolarHBondContact O-N 3.17Å; S45-Q47 PolarHBondContact OG-NE2 3.46Å; Q47-Y69 PolarHBondContact NE2-O 3.27Å
48	C	81.1	Confident	80	Confident	67 Å²	67	53.8 Å²	53.8	45%	0.453	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	113.2	-175.4	172.5	0	0	0	0	109.7	K39 V40	K39-C48 WeakPolarHBondContact CE-SG 3.44Å; V40-C48 CarbonylContact O-C 3.58Å; V40-C48 WeakPolarHBondContact O-CA 3.46Å
49	H	80.8	Confident	79.7	Confident	60 Å²	60	57.6 Å²	57.6	28%	0.278	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	158.2	178.3	-58.3	-83.1	0	0	0	110.1	K39 V40 Y66	K39-H49 CarbonylContact C-O 3.6Å; K39-H49 WeakPolarHBondContact CA-O 3.49Å; V40-H49 PolarHBondContact N-O 3.34Å; V40-H49 PolarHBondContact O-N 2.89Å; H49-Y66 HydrophobicContact CB-CD1 3.69Å; H49-Y66 HydrophobicContact CB-CD2 4.08Å; H49-Y66 HydrophobicContact CB-CE1 3.81Å; H49-Y66 HydrophobicContact CB-CE2 4.16Å; H49-Y66 HydrophobicContact CB-CG 3.83Å; H49-Y66 AromaticContact CG-CD1 3.85Å; H49-Y66 AromaticContact CG-CG 3.97Å; H49-Y66 AromaticContact ND1-CD1 3.93Å
50	S	82.5	Confident	79.4	Confident	55 Å²	55	54 Å²	54	39%	0.385	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	143.1	177.8	-62.9	0	0	0	0	110.3	A38 K39 Y66	A38-S50 CarbonylContact O-C 3.49Å; A38-S50 VanDerWaalsContact O-CA 3.27Å; A38-S50 WeakPolarHBondContact O-CA 3.36Å; K39-S50 WeakPolarHBondContact CG-OG 3.48Å; S50-Y66 PolarHBondContact O-OH 3.2Å
51	T	88	Confident	79.3	Confident	9 Å²	9	60.8 Å²	60.8	6%	0.055	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-79.3	166.1	177.9	68.5	0	0	0	0	111.3	V19 A38 W62 Q64 Y66	V19-T51 HydrophobicContact CB-CG2 4.49Å; V19-T51 HydrophobicContact CG1-CG2 4.37Å; A38-T51 HydrophobicContact CB-CG2 3.89Å; A38-T51 PolarHBondContact N-OG1 2.83Å; A38-T51 PolarHBondContact O-N 3.45Å; A38-T51 PolarHBondContact O-OG1 2.86Å; T51-W62 HydrophobicContact CG2-CB 3.88Å; T51-W62 HydrophobicContact CG2-CD2 4.12Å; T51-W62 HydrophobicContact CG2-CG 3.8Å; T51-W62 PolarHBondContact OG1-NE1 3.09Å; T51-W62 VanDerWaalsContact OG1-NE1 3.14Å; T51-Q64 HydrophobicContact CG2-CB 4.43Å; T51-Y66 WeakPolarHBondContact CA-OH 3.38Å; T51-Y66 WeakPolarHBondContact CG2-OH 3.43Å; T51-Y66 PolarHBondContact N-OH 3.15Å
52	D	84.6	Confident	79.3	Confident	117 Å²	117	60 Å²	60	63%	0.626	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-57.5	155.1	161.9	-64.1	-38	0	0	0	111	W62 Q64	D52-W62 PolarHBondContact O-NE1 2.95Å; D52-W62 VanDerWaalsContact O-NE1 3.11Å; D52-Q64 PolarHBondContact OD2-NE2 3.1Å
53	T	85.6	Confident	79.1	Confident	48 Å²	48	64.5 Å²	64.5	29%	0.294	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-89.2	118.2	176.7	-62.5	0	0	0	0	110.1	D35 H83	D35-T53 HydrophobicContact CB-CG2 3.75Å; T53-H83 HydrophobicContact CG2-CB 3.53Å
54	V	80.4	Confident	79.1	Confident	43 Å²	43	63.3 Å²	63.3	26%	0.261	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-89	134.9	171.8	-171.3	0	0	0	0	108	D35 P36 T57 P60 K61	D35-V54 CarbonylContact C-O 3.57Å; D35-V54 VanDerWaalsContact C-O 3.25Å; D35-V54 WeakPolarHBondContact CA-O 3.48Å; P36-V54 WeakPolarHBondContact CD-O 3.31Å; P36-V54 PolarHBondContact O-N 2.84Å; V54-T57 HydrophobicContact CB-CG2 4.06Å; V54-T57 HydrophobicContact CG1-CG2 3.6Å; V54-P60 HydrophobicContact CB-CB 3.86Å; V54-P60 HydrophobicContact CG1-CB 4.36Å; V54-P60 HydrophobicContact CG2-CB 3.89Å; V54-K61 WeakPolarHBondContact CG2-O 3.42Å
55	R	83.9	Confident	79.6	Confident	196 Å²	196	66.7 Å²	66.7	74%	0.74	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-93.9	149.1	-173.8	-61.7	-177.5	-177.6	175.2	0.9	112.5	D35 T57	D35-R55 VanDerWaalsContact OD1-CA 3.24Å; D35-R55 WeakPolarHBondContact OD1-CA 3.36Å; R55-T57 PolarHBondContact O-N 3.29Å
56	N	80.9	Confident	80.3	Confident	89 Å²	89	65.2 Å²	65.2	48%	0.476	34%	0.343	S	S	.	.	S	Bend	trans	49	48.6	171.1	-68.7	-33.3	0	0	0	114.8	L33 P34 D35 K84	L33-N56 VanDerWaalsContact CB-C 3.44Å; L33-N56 HydrophobicContact CB-CB 4.3Å; L33-N56 VanDerWaalsContact CD1-O 3.26Å; L33-N56 WeakPolarHBondContact CD1-O 3.41Å; P34-N56 CarbonylContact O-C 3.58Å; P34-N56 WeakPolarHBondContact O-CA 3.42Å; P34-N56 PolarHBondContact O-N 3.1Å; P34-N56 VanDerWaalsContact O-N 3.13Å; D35-N56 PolarHBondContact OD1-N 2.79Å; N56-K84 PolarHBondContact OD1-NZ 3.02Å
57	T	77.4	Confident	80.9	Confident	29 Å²	29	66.2 Å²	66.2	18%	0.178	33%	0.334	C	S	.	.			trans	-144.2	150.9	-177.3	-172.8	0	0	0	0	114.1	P34 P36 V54 R55 D59 P60	P34-T57 WeakPolarHBondContact CG-O 3.44Å; P34-T57 PolarHBondContact O-N 3.5Å; P36-T57 WeakPolarHBondContact CD-O 3.49Å; P36-T57 HydrophobicContact CG-CG2 3.8Å; P36-T57 WeakPolarHBondContact CG-O 3.45Å; V54-T57 HydrophobicContact CB-CG2 4.06Å; V54-T57 HydrophobicContact CG1-CG2 3.6Å; R55-T57 PolarHBondContact O-N 3.29Å; T57-D59 PolarHBondContact OG1-N 3.49Å; T57-P60 HydrophobicContact CG2-CB 3.88Å
58	L	81.8	Confident	81	Confident	34 Å²	34	64.7 Å²	64.7	18%	0.178	33%	0.327	C	S	.	.	S	Bend	trans	-98.5	-5.6	166.4	-52.6	179.3	0	0	0	112.3	K23 N24 L25 K27 L33 P34 P60	K23-L58 CarbonylContact C-O 3.59Å; N24-L58 PolarHBondContact N-O 2.94Å; L25-L58 HydrophobicContact CB-CB 4.26Å; L25-L58 HydrophobicContact CB-CD2 4.48Å; L25-L58 WeakPolarHBondContact CB-O 3.46Å; L25-L58 VanDerWaalsContact CG-O 3.24Å; L25-L58 WeakPolarHBondContact CG-O 3.39Å; L25-L58 PolarHBondContact N-O 3.16Å; L25-L58 WeakPolarHBondContact O-CD2 3.36Å; K27-L58 HydrophobicContact CB-CD1 4.01Å; K27-L58 HydrophobicContact CB-CD2 4.02Å; L33-L58 HydrophobicContact CD2-CD1 4.27Å; L33-L58 HydrophobicContact CD2-CD2 4.1Å; L33-L58 HydrophobicContact CD2-CG 4.01Å; P34-L58 VanDerWaalsContact CD-CD2 3.45Å; P34-L58 HydrophobicContact CG-CD2 3.73Å; L58-P60 VanDerWaalsContact C-CD 3.48Å
59	D	81.9	Confident	80.8	Confident	80 Å²	80	67.3 Å²	67.3	43%	0.428	33%	0.328	S	S	.	.	S	Bend	trans	-131.9	59.8	-173	-58.4	-86.4	0	0	0	111.2	A22 K23 N24 T57	A22-D59 CarbonylContact O-C 3.54Å; A22-D59 VanDerWaalsContact O-C 3.25Å; A22-D59 WeakPolarHBondContact O-CA 3.3Å; K23-D59 WeakPolarHBondContact CA-OD1 3.47Å; K23-D59 WeakPolarHBondContact CB-OD1 3.37Å; N24-D59 PolarHBondContact N-OD1 3.05Å; T57-D59 PolarHBondContact OG1-N 3.49Å
60	P	78.4	Confident	80.6	Confident	1 Å²	1	65 Å²	65	1%	0.006	32%	0.318	C	S	.	.			trans	-70.1	137.7	-175.6	30.1	-37.2	0	0	0	112.8	C21 A22 L25 P36 V54 T57 L58 W62	C21-P60 CarbonylContact C-O 3.6Å; C21-P60 WeakPolarHBondContact CA-O 3.42Å; C21-P60 WeakPolarHBondContact CB-O 3.47Å; A22-P60 HydrophobicContact CB-CG 3.94Å; A22-P60 PolarHBondContact N-O 3.08Å; A22-P60 WeakPolarHBondContact O-CD 3.5Å; L25-P60 HydrophobicContact CD1-CG 3.84Å; P36-P60 HydrophobicContact CB-CB 4.37Å; P36-P60 HydrophobicContact CB-CG 3.92Å; P36-P60 HydrophobicContact CG-CB 3.66Å; P36-P60 HydrophobicContact CG-CG 3.55Å; V54-P60 HydrophobicContact CB-CB 3.86Å; V54-P60 HydrophobicContact CG1-CB 4.36Å; V54-P60 HydrophobicContact CG2-CB 3.89Å; T57-P60 HydrophobicContact CG2-CB 3.88Å; L58-P60 VanDerWaalsContact C-CD 3.48Å; P60-W62 HydrophobicContact CB-CD2 4.4Å; P60-W62 HydrophobicContact CB-CH2 4.23Å; P60-W62 HydrophobicContact CB-CZ2 3.71Å; P60-W62 HydrophobicContact CG-CH2 3.49Å; P60-W62 VanDerWaalsContact CG-CH2 3.49Å; P60-W62 HydrophobicContact CG-CZ2 3.38Å; P60-W62 HydrophobicContact CG-CZ3 4.14Å
61	K	83	Confident	80.1	Confident	143 Å²	143	63.2 Å²	63.2	62%	0.622	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.9	169.9	-59.9	173.7	-175.8	172.4	0	108.7	C21 V54	C21-K61 HydrophobicContact CB-CB 4.27Å; C21-K61 HydrophobicContact CB-CG 3.93Å; V54-K61 WeakPolarHBondContact CG2-O 3.42Å
62	W	81.5	Confident	79.1	Confident	21 Å²	21	70.7 Å²	70.7	8%	0.08	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-40.3	-178.2	-61	-66.4	0	0	0	112.3	V19 L20 A22 P36 A38 T51 D52 P60 Q64 V80 I133	V19-W62 HydrophobicContact CG1-CE3 3.77Å; V19-W62 HydrophobicContact CG1-CZ3 4.17Å; L20-W62 PolarHBondContact O-N 3.29Å; A22-W62 HydrophobicContact CB-CH2 3.71Å; A22-W62 HydrophobicContact CB-CZ3 3.72Å; P36-W62 HydrophobicContact CB-CZ2 4.28Å; P36-W62 PolarHBondContact O-NE1 3.12Å; A38-W62 HydrophobicContact CB-CD2 4.43Å; A38-W62 HydrophobicContact CB-CE3 4.19Å; A38-W62 HydrophobicContact CB-CH2 3.78Å; A38-W62 HydrophobicContact CB-CZ2 4.05Å; A38-W62 HydrophobicContact CB-CZ3 3.86Å; T51-W62 HydrophobicContact CG2-CB 3.88Å; T51-W62 HydrophobicContact CG2-CD2 4.12Å; T51-W62 HydrophobicContact CG2-CG 3.8Å; T51-W62 PolarHBondContact OG1-NE1 3.09Å; T51-W62 VanDerWaalsContact OG1-NE1 3.14Å; D52-W62 PolarHBondContact O-NE1 2.95Å; D52-W62 VanDerWaalsContact O-NE1 3.11Å; P60-W62 HydrophobicContact CB-CD2 4.4Å; P60-W62 HydrophobicContact CB-CH2 4.23Å; P60-W62 HydrophobicContact CB-CZ2 3.71Å; P60-W62 HydrophobicContact CG-CH2 3.49Å; P60-W62 VanDerWaalsContact CG-CH2 3.49Å; P60-W62 HydrophobicContact CG-CZ2 3.38Å; P60-W62 HydrophobicContact CG-CZ3 4.14Å; W62-Q64 HydrophobicContact CB-CG 4.5Å; W62-Q64 WeakPolarHBondContact O-CG 3.25Å; W62-Q64 PolarHBondContact O-N 2.96Å; W62-Q64 VanDerWaalsContact O-N 3.14Å; W62-V80 HydrophobicContact CH2-CG1 4Å; W62-V80 HydrophobicContact CH2-CG2 4.21Å; W62-V80 HydrophobicContact CZ2-CG1 4.34Å; W62-I133 HydrophobicContact CZ3-CD1 4.2Å
63	N	78.6	Confident	78.6	Confident	96 Å²	96	69.9 Å²	69.9	51%	0.513	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.4	32.3	-179.1	-54.3	-29.9	0	0	0	114	V19 L20	V19-N63 WeakPolarHBondContact O-CA 3.39Å; V19-N63 PolarHBondContact O-N 3.17Å; L20-N63 WeakPolarHBondContact CD1-OD1 3.35Å; L20-N63 PolarHBondContact O-N 3.28Å; L20-N63 PolarHBondContact O-OD1 3.06Å
64	Q	75.4	Confident	78.3	Confident	41 Å²	41	68.4 Å²	68.4	19%	0.192	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	137.3	-176.6	-67.6	-160.4	5.9	0	0	112	V19 T51 D52 W62 Y66	V19-Q64 PolarHBondContact N-O 3.09Å; V19-Q64 PolarHBondContact O-N 3.46Å; V19-Q64 VanDerWaalsContact O-N 3.1Å; T51-Q64 HydrophobicContact CG2-CB 4.43Å; D52-Q64 PolarHBondContact OD2-NE2 3.1Å; W62-Q64 HydrophobicContact CB-CG 4.5Å; W62-Q64 WeakPolarHBondContact O-CG 3.25Å; W62-Q64 PolarHBondContact O-N 2.96Å; W62-Q64 VanDerWaalsContact O-N 3.14Å; Q64-Y66 HydrophobicContact CB-CE2 4.49Å; Q64-Y66 PolarHBondContact OE1-OH 2.91Å
65	H	77.1	Confident	78.4	Confident	124 Å²	124	67 Å²	67	57%	0.574	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.1	179.2	60.6	-86.8	0	0	0	111.8	L16 F17 L18	L16-H65 HydrophobicContact CD1-CB 3.9Å; F17-H65 CarbonylContact O-C 3.6Å; F17-H65 WeakPolarHBondContact O-CA 3.44Å; L18-H65 HydrophobicContact CB-CB 4.46Å; L18-H65 HydrophobicContact CD1-CB 4.2Å
66	Y	80.1	Confident	78.4	Confident	23 Å²	23	57.8 Å²	57.8	9%	0.09	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.1	178.4	-49.8	-66.2	0	0	0	110.3	F17 V19 V40 H49 S50 T51 Q64 L68	F17-Y66 PolarHBondContact N-O 3.27Å; F17-Y66 PolarHBondContact O-N 3.2Å; V19-Y66 HydrophobicContact CG2-CE2 4.22Å; V40-Y66 HydrophobicContact CG2-CD2 4.28Å; V40-Y66 HydrophobicContact CG2-CE2 4.14Å; H49-Y66 HydrophobicContact CB-CD1 3.69Å; H49-Y66 HydrophobicContact CB-CD2 4.08Å; H49-Y66 HydrophobicContact CB-CE1 3.81Å; H49-Y66 HydrophobicContact CB-CE2 4.16Å; H49-Y66 HydrophobicContact CB-CG 3.83Å; H49-Y66 AromaticContact CG-CD1 3.85Å; H49-Y66 AromaticContact CG-CG 3.97Å; H49-Y66 AromaticContact ND1-CD1 3.93Å; S50-Y66 PolarHBondContact O-OH 3.2Å; T51-Y66 WeakPolarHBondContact CA-OH 3.38Å; T51-Y66 WeakPolarHBondContact CG2-OH 3.43Å; T51-Y66 PolarHBondContact N-OH 3.15Å; Q64-Y66 HydrophobicContact CB-CE2 4.49Å; Q64-Y66 PolarHBondContact OE1-OH 2.91Å; Y66-L68 PolarHBondContact O-N 2.74Å
67	D	77.5	Confident	78.5	Confident	82 Å²	82	54.8 Å²	54.8	44%	0.439	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	105.4	169.5	-69.8	-39.1	0	0	0	109.3	T14 L16	T14-D67 HydrophobicContact CG2-CB 4.45Å; L16-D67 WeakPolarHBondContact CD1-OD1 3.47Å
68	L	80.3	Confident	79	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.1	-178.4	-57	-177.6	0	0	0	111.1	F15 F17 V40 V42 Y66 I70 I76	F15-L68 PolarHBondContact N-O 3.23Å; F15-L68 PolarHBondContact O-N 2.76Å; F17-L68 HydrophobicContact CB-CD1 3.56Å; F17-L68 HydrophobicContact CB-CG 3.93Å; F17-L68 HydrophobicContact CD1-CD1 4.12Å; F17-L68 HydrophobicContact CD2-CD1 4.36Å; F17-L68 HydrophobicContact CG-CD1 3.75Å; V40-L68 HydrophobicContact CG1-CD1 4.05Å; V42-L68 HydrophobicContact CG2-CB 4.42Å; V42-L68 HydrophobicContact CG2-CD1 4.24Å; V42-L68 HydrophobicContact CG2-CD2 4.15Å; Y66-L68 PolarHBondContact O-N 2.74Å; L68-I70 HydrophobicContact CB-CD1 4.24Å; L68-I70 HydrophobicContact CB-CG1 4.11Å; L68-I76 HydrophobicContact CD1-CD1 4.12Å
69	Y	77.6	Confident	79.2	Confident	122 Å²	122	52.2 Å²	52.2	48%	0.478	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	114.7	171.5	-61.1	-67.3	0	0	0	110.6	V12 T14 S45 Q47	V12-Y69 HydrophobicContact CG1-CD1 4.31Å; T14-Y69 HydrophobicContact CG2-CD1 4.26Å; T14-Y69 HydrophobicContact CG2-CE1 3.94Å; S45-Y69 PolarHBondContact OG-O 3.07Å; Q47-Y69 PolarHBondContact NE2-O 3.27Å
70	I	76.6	Confident	79.5	Confident	11 Å²	11	48.4 Å²	48.4	6%	0.056	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.6	-171	-52.4	-173.8	0	0	0	111	S13 F15 L68 D74 I76 I105	S13-I70 PolarHBondContact N-O 2.83Å; S13-I70 PolarHBondContact O-N 2.86Å; F15-I70 HydrophobicContact CB-CD1 4.07Å; F15-I70 HydrophobicContact CD2-CB 3.88Å; F15-I70 HydrophobicContact CD2-CD1 3.58Å; F15-I70 HydrophobicContact CD2-CG1 3.79Å; F15-I70 HydrophobicContact CE2-CB 4.23Å; F15-I70 HydrophobicContact CE2-CD1 4.48Å; F15-I70 HydrophobicContact CG-CD1 3.97Å; L68-I70 HydrophobicContact CB-CD1 4.24Å; L68-I70 HydrophobicContact CB-CG1 4.11Å; I70-D74 HydrophobicContact CG2-CB 3.87Å; I70-I76 HydrophobicContact CD1-CD1 3.63Å; I70-I76 HydrophobicContact CD1-CG1 4.05Å; I70-I105 HydrophobicContact CD1-CG2 4.23Å
71	G	71.3	Confident	79.8	Confident	19 Å²	19	50.7 Å²	50.7	20%	0.196	25%	0.251	C	S	.	.			trans	-81.5	165.1	170.6	0	0	0	0	0	113.6	S73 D74	G71-S73 PolarHBondContact O-N 2.82Å; G71-S73 VanDerWaalsContact O-N 3.11Å; G71-D74 VanDerWaalsContact N-CG 3.3Å; G71-D74 PolarHBondContact N-OD2 2.88Å; G71-D74 PolarHBondContact O-N 2.82Å; G71-D74 VanDerWaalsContact O-N 3.16Å
72	K	67.8	Low	80	Confident	166 Å²	166	44 Å²	44	72%	0.722	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.5	-174	-65.5	-174.9	178.9	-177.7	0	114.8	S102	K72-S102 WeakPolarHBondContact O-CB 3.22Å
73	S	73.8	Confident	80.1	Confident	100 Å²	100	47.1 Å²	47.1	70%	0.699	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108	-0.8	-178.6	46.2	0	0	0	0	113.8	G71	G71-S73 PolarHBondContact O-N 2.82Å; G71-S73 VanDerWaalsContact O-N 3.11Å
74	D	79.2	Confident	79.9	Confident	17 Å²	17	46.4 Å²	46.4	9%	0.091	23%	0.23	C	C	.	.			trans	-79.3	151.3	-168.1	-63.5	9.6	0	0	0	111.5	V42 I70 G71 S102	V42-D74 HydrophobicContact CG1-CB 4.14Å; I70-D74 HydrophobicContact CG2-CB 3.87Å; G71-D74 VanDerWaalsContact N-CG 3.3Å; G71-D74 PolarHBondContact N-OD2 2.88Å; G71-D74 PolarHBondContact O-N 2.82Å; G71-D74 VanDerWaalsContact O-N 3.16Å; D74-S102 WeakPolarHBondContact O-CA 2.95Å; D74-S102 WeakPolarHBondContact O-CB 3.41Å; D74-S102 PolarHBondContact O-N 3.43Å
75	S	81.4	Confident	79.5	Confident	13 Å²	13	46.4 Å²	46.4	9%	0.091	23%	0.229	C	C	.	.			trans	-121	149.7	172	38.2	0	0	0	0	110.4	V42 D43 R99 L100	V42-S75 CarbonylContact C-O 3.57Å; D43-S75 PolarHBondContact N-O 2.79Å; D43-S75 PolarHBondContact OD2-OG 2.82Å; S75-R99 PolarHBondContact OG-NH2 2.84Å; S75-L100 CarbonylContact C-O 3.52Å; S75-L100 WeakPolarHBondContact CA-O 3.5Å; S75-L100 WeakPolarHBondContact CB-O 3.13Å
76	I	84.5	Confident	79	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.4	174.8	-54.6	166.9	0	0	0	107.6	F17 V40 V41 L68 I70 I78 R99 L100 I105	F17-I76 HydrophobicContact CD2-CD1 4.38Å; F17-I76 HydrophobicContact CE2-CD1 4.31Å; V40-I76 HydrophobicContact CG1-CG2 3.72Å; V41-I76 CarbonylContact O-C 3.57Å; V41-I76 WeakPolarHBondContact O-CA 3.17Å; L68-I76 HydrophobicContact CD1-CD1 4.12Å; I70-I76 HydrophobicContact CD1-CD1 3.63Å; I70-I76 HydrophobicContact CD1-CG1 4.05Å; I76-I78 HydrophobicContact CG2-CD1 4.39Å; I76-I78 HydrophobicContact CG2-CG1 3.9Å; I76-R99 CarbonylContact O-C 3.6Å; I76-R99 WeakPolarHBondContact O-CA 3.03Å; I76-L100 HydrophobicContact CB-CB 4.37Å; I76-L100 HydrophobicContact CB-CD1 4.48Å; I76-L100 HydrophobicContact CD1-CD1 4.45Å; I76-L100 PolarHBondContact N-O 3.35Å; I76-L100 PolarHBondContact O-N 2.71Å; I76-I105 HydrophobicContact CB-CD1 4.37Å; I76-I105 HydrophobicContact CD1-CD1 3.94Å; I76-I105 HydrophobicContact CD1-CG1 4.18Å; I76-I105 HydrophobicContact CG1-CD1 3.71Å; I76-I105 HydrophobicContact CG1-CG1 4.44Å
77	T	83	Confident	78.3	Confident	25 Å²	25	50 Å²	50	15%	0.153	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.9	172.2	-56.2	0	0	0	0	109.2	V41 D43	V41-T77 PolarHBondContact N-O 2.78Å; V41-T77 PolarHBondContact O-N 3.36Å; D43-T77 PolarHBondContact OD1-OG1 3.47Å; D43-T77 VanDerWaalsContact OD1-OG1 3.08Å; D43-T77 PolarHBondContact OD2-OG1 3.2Å
78	I	87.9	Confident	77.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.1	-179	-50.8	165.1	0	0	0	107.3	F17 K39 V40 I76 C97 V98 L100 I133 E135	F17-I78 HydrophobicContact CE1-CD1 3.67Å; F17-I78 HydrophobicContact CE1-CG1 4.42Å; F17-I78 HydrophobicContact CZ-CD1 3.46Å; F17-I78 VanDerWaalsContact CZ-CD1 3.46Å; K39-I78 CarbonylContact O-C 3.43Å; K39-I78 WeakPolarHBondContact O-CA 3.46Å; V40-I78 HydrophobicContact CG1-CG1 4.37Å; V40-I78 HydrophobicContact CG2-CG1 4.39Å; V40-I78 HydrophobicContact CG2-CG2 4.21Å; I76-I78 HydrophobicContact CG2-CD1 4.39Å; I76-I78 HydrophobicContact CG2-CG1 3.9Å; I78-C97 CarbonylContact O-C 3.5Å; I78-C97 WeakPolarHBondContact O-CA 3.36Å; I78-C97 WeakPolarHBondContact O-CB 3.36Å; I78-V98 PolarHBondContact N-O 3.5Å; I78-V98 PolarHBondContact O-N 3.09Å; I78-L100 HydrophobicContact CD1-CD1 4.4Å; I78-I133 HydrophobicContact CG2-CD1 3.66Å; I78-E135 WeakPolarHBondContact CD1-OE2 3.2Å
79	S	87.3	Confident	76.7	Confident	10 Å²	10	61.2 Å²	61.2	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.5	-173.3	56.3	0	0	0	0	111.1	A38 K39 W81	A38-S79 CarbonylContact C-O 3.46Å; A38-S79 WeakPolarHBondContact CA-O 3.41Å; K39-S79 PolarHBondContact N-O 3.04Å; K39-S79 PolarHBondContact O-N 2.75Å; K39-S79 PolarHBondContact O-OG 2.81Å; S79-W81 VanDerWaalsContact CB-NE1 3.29Å; S79-W81 PolarHBondContact OG-NE1 3.15Å
80	V	87.8	Confident	75.6	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.3	-178.2	-173.1	0	0	0	0	109.4	L25 P36 F37 A38 W62 L95 G96 L118 I133	L25-V80 HydrophobicContact CD1-CG1 4.01Å; L25-V80 HydrophobicContact CD2-CG1 4.12Å; P36-V80 HydrophobicContact CB-CG1 4.09Å; F37-V80 CarbonylContact O-C 3.54Å; F37-V80 WeakPolarHBondContact O-CA 3.49Å; A38-V80 HydrophobicContact CB-CG2 4.45Å; W62-V80 HydrophobicContact CH2-CG1 4Å; W62-V80 HydrophobicContact CH2-CG2 4.21Å; W62-V80 HydrophobicContact CZ2-CG1 4.34Å; V80-L95 HydrophobicContact CB-CB 4.35Å; V80-L95 HydrophobicContact CG1-CB 4.24Å; V80-L95 HydrophobicContact CG1-CD1 4.25Å; V80-L95 PolarHBondContact O-N 3.1Å; V80-G96 PolarHBondContact N-O 2.66Å; V80-L118 HydrophobicContact CG2-CD1 4.31Å; V80-L118 HydrophobicContact CG2-CD2 3.93Å; V80-I133 HydrophobicContact CG2-CD1 4.07Å
81	W	84.1	Confident	74.8	Confident	48 Å²	48	66.2 Å²	66.2	18%	0.182	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.5	-170	-63.8	87.2	0	0	0	112	P36 F37 S79 I86 G93 F94	P36-W81 CarbonylContact C-O 3.44Å; P36-W81 VanDerWaalsContact CA-O 3.27Å; P36-W81 WeakPolarHBondContact CA-O 3.46Å; F37-W81 HydrophobicContact CD1-CB 4.04Å; F37-W81 WeakPolarHBondContact CD1-O 3.2Å; F37-W81 HydrophobicContact CE1-CB 3.5Å; F37-W81 HydrophobicContact CE2-CB 4.28Å; F37-W81 HydrophobicContact CZ-CB 3.64Å; F37-W81 HydrophobicContact CZ-CG 4.2Å; F37-W81 PolarHBondContact N-O 3.05Å; F37-W81 PolarHBondContact O-N 2.77Å; S79-W81 VanDerWaalsContact CB-NE1 3.29Å; S79-W81 PolarHBondContact OG-NE1 3.15Å; W81-I86 HydrophobicContact CE3-CD1 4.47Å; W81-G93 CarbonylContact C-O 3.59Å; W81-G93 WeakPolarHBondContact CA-O 3.48Å; W81-F94 HydrophobicContact CD2-CD2 4.34Å; W81-F94 HydrophobicContact CE3-CB 4.05Å; W81-F94 HydrophobicContact CE3-CD2 4.47Å; W81-F94 HydrophobicContact CH2-CB 4.04Å; W81-F94 AromaticContact CH2-CD2 3.98Å; W81-F94 HydrophobicContact CH2-CD2 3.98Å; W81-F94 HydrophobicContact CH2-CG 4.36Å; W81-F94 AromaticContact CZ2-CD2 3.84Å; W81-F94 HydrophobicContact CZ2-CD2 3.84Å; W81-F94 HydrophobicContact CZ3-CB 3.69Å; W81-F94 HydrophobicContact CZ3-CD2 4.3Å; W81-F94 HydrophobicContact CZ3-CG 4.45Å
82	N	87.2	Confident	74.5	Confident	4 Å²	4	67.1 Å²	67.1	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	108.2	172.1	-179.6	4.2	0	0	0	110.9	P34 D35 K84 K85 I86 G93 L95	P34-N82 HydrophobicContact CB-CB 3.92Å; P34-N82 VanDerWaalsContact CB-CG 3.45Å; P34-N82 WeakPolarHBondContact CB-ND2 3.32Å; D35-N82 PolarHBondContact N-OD1 3.29Å; D35-N82 CarbonylContact O-C 3.55Å; D35-N82 WeakPolarHBondContact O-CA 3.14Å; N82-K84 VanDerWaalsContact C-N 3.28Å; N82-K84 PolarHBondContact O-N 3.16Å; N82-K84 WeakPolarHBondContact OD1-CB 3.46Å; N82-K84 PolarHBondContact OD1-N 3.4Å; N82-K85 PolarHBondContact O-N 3.05Å; N82-K85 VanDerWaalsContact O-N 3.07Å; N82-I86 PolarHBondContact O-N 3.11Å; N82-I86 VanDerWaalsContact O-N 3.13Å; N82-G93 WeakPolarHBondContact CB-O 3.2Å; N82-G93 PolarHBondContact N-O 3.33Å; N82-L95 HydrophobicContact CB-CD1 4.09Å; N82-L95 HydrophobicContact CB-CD2 4.38Å; N82-L95 HydrophobicContact CB-CG 4.23Å
83	H	83.4	Confident	74.7	Confident	86 Å²	86	59.3 Å²	59.3	40%	0.398	30%	0.301	S	S	.	.	H	α-helix	trans	-56.9	-36.6	-179.7	-167.6	88.5	0	0	0	113.1	D35 F37 T53 K85 I86	D35-H83 HydrophobicContact CB-CB 4.1Å; D35-H83 WeakPolarHBondContact O-CB 3.25Å; D35-H83 PolarHBondContact O-N 2.82Å; F37-H83 HydrophobicContact CD1-CB 4.14Å; F37-H83 HydrophobicContact CE1-CB 4.34Å; T53-H83 HydrophobicContact CG2-CB 3.53Å; H83-K85 PolarHBondContact O-N 3.15Å; H83-K85 VanDerWaalsContact O-N 3.14Å; H83-I86 WeakPolarHBondContact O-CG2 3.43Å
84	K	74.5	Confident	75.1	Confident	81 Å²	81	54.8 Å²	54.8	35%	0.352	27%	0.268	S	S	.	.	H	α-helix	trans	-62.4	-20.7	177.3	-74.9	162.3	166.6	151	0	114.7	L33 D35 N56 N82	L33-K84 PolarHBondContact O-NZ 2.88Å; D35-K84 HydrophobicContact CB-CD 4.15Å; D35-K84 HydrophobicContact CB-CG 4.11Å; D35-K84 WeakPolarHBondContact OD1-CE 3.22Å; D35-K84 IonicContact OD1-NZ 2.63Å; D35-K84 PolarHBondContact OD1-NZ 2.9Å; D35-K84 WeakPolarHBondContact OD2-CD 3.32Å; D35-K84 WeakPolarHBondContact OD2-CE 3.24Å; D35-K84 WeakPolarHBondContact OD2-CG 3.17Å; D35-K84 IonicContact OD2-NZ 3.18Å; N56-K84 PolarHBondContact OD1-NZ 3.02Å; N82-K84 VanDerWaalsContact C-N 3.28Å; N82-K84 PolarHBondContact O-N 3.16Å; N82-K84 WeakPolarHBondContact OD1-CB 3.46Å; N82-K84 PolarHBondContact OD1-N 3.4Å
85	K	68.3	Low	75.1	Confident	41 Å²	41	54 Å²	54	18%	0.178	26%	0.264	C	S	.	.	H	α-helix	trans	-117	-13.4	-174.6	-77.7	-171.2	167	173.8	0	114.3	D29 N82 H83 H87 K88 A92	D29-K85 WeakPolarHBondContact OD1-CE 3.26Å; D29-K85 IonicContact OD1-NZ 3.51Å; D29-K85 PolarHBondContact OD1-NZ 2.79Å; D29-K85 WeakPolarHBondContact OD2-CE 3.16Å; D29-K85 IonicContact OD2-NZ 3.06Å; D29-K85 PolarHBondContact OD2-NZ 3.16Å; N82-K85 PolarHBondContact O-N 3.05Å; N82-K85 VanDerWaalsContact O-N 3.07Å; H83-K85 PolarHBondContact O-N 3.15Å; H83-K85 VanDerWaalsContact O-N 3.14Å; K85-H87 PolarHBondContact O-N 3.39Å; K85-H87 VanDerWaalsContact O-N 3.14Å; K85-K88 HydrophobicContact CG-CD 4.43Å; K85-K88 PolarHBondContact O-N 2.91Å; K85-A92 WeakPolarHBondContact CB-O 3.23Å
86	I	65.6	Low	75.2	Confident	60 Å²	60	53.4 Å²	53.4	31%	0.308	26%	0.26	S	S	.	.	H	α-helix	trans	-57.9	-31	-177.1	-159.8	167	0	0	0	113.4	F37 W81 N82 H83	F37-I86 HydrophobicContact CE1-CD1 4.01Å; F37-I86 HydrophobicContact CZ-CD1 3.68Å; W81-I86 HydrophobicContact CE3-CD1 4.47Å; N82-I86 PolarHBondContact O-N 3.11Å; N82-I86 VanDerWaalsContact O-N 3.13Å; H83-I86 WeakPolarHBondContact O-CG2 3.43Å
87	H	64.8	Low	75.3	Confident	161 Å²	161	53.7 Å²	53.7	75%	0.745	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.6	178.5	-60.6	-70.8	0	0	0	114.9	K85	K85-H87 PolarHBondContact O-N 3.39Å; K85-H87 VanDerWaalsContact O-N 3.14Å
88	K	61.8	Low	75.4	Confident	153 Å²	153	53 Å²	53	67%	0.665	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-44.8	-172.5	-66.8	-166.7	178.7	-171.2	0	114	K85	K85-K88 HydrophobicContact CG-CD 4.43Å; K85-K88 PolarHBondContact O-N 2.91Å
89	K	62.1	Low	75.2	Confident	166 Å²	166	60.1 Å²	60.1	72%	0.722	29%	0.285	S	S	*	.	S	Bend	trans	-154.6	151.9	171.9	-67.1	-171.8	178.8	-178.3	0	108.5	G91 A92	K89-G91 PolarHBondContact O-N 3.38Å; K89-A92 HydrophobicContact CB-CB 3.95Å; K89-A92 WeakPolarHBondContact O-CB 3.42Å; K89-A92 PolarHBondContact O-N 2.88Å
90	Q	54.9	Low	74.9	Confident	205 Å²	205	60.2 Å²	60.2	96%	0.958	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	127.7	173.1	-162.9	170.9	7.9	0	0	109.5	A92	Q90-A92 VanDerWaalsContact C-N 3.32Å; Q90-A92 PolarHBondContact O-N 2.69Å
91	G	61.1	Low	74.5	Confident	32 Å²	32	65.2 Å²	65.2	33%	0.33	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-23.9	-174.9	0	0	0	0	0	116.2	K89 G93 F94	K89-G91 PolarHBondContact O-N 3.38Å; G91-G93 PolarHBondContact O-N 3.43Å; G91-F94 VanDerWaalsContact O-CB 3.29Å; G91-F94 WeakPolarHBondContact O-CB 3.44Å; G91-F94 PolarHBondContact O-N 3.45Å
92	A	63.3	Low	74	Confident	39 Å²	39	64.2 Å²	64.2	32%	0.322	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.3	-170.7	0	0	0	0	0	116	K85 K89 Q90	K85-A92 WeakPolarHBondContact CB-O 3.23Å; K89-A92 HydrophobicContact CB-CB 3.95Å; K89-A92 WeakPolarHBondContact O-CB 3.42Å; K89-A92 PolarHBondContact O-N 2.88Å; Q90-A92 VanDerWaalsContact C-N 3.32Å; Q90-A92 PolarHBondContact O-N 2.69Å
93	G	72.1	Confident	73.3	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.01	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-8.8	170.7	0	0	0	0	0	114.7	W81 N82 G91	W81-G93 CarbonylContact C-O 3.59Å; W81-G93 WeakPolarHBondContact CA-O 3.48Å; N82-G93 WeakPolarHBondContact CB-O 3.2Å; N82-G93 PolarHBondContact N-O 3.33Å; G91-G93 PolarHBondContact O-N 3.43Å
94	F	82.2	Confident	72.5	Confident	5 Å²	5	66.8 Å²	66.8	2%	0.022	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	136.3	-170.7	-176	-121	0	0	0	112.2	K28 W81 G91 G96 C97 L121 D127 V129	K28-F94 WeakPolarHBondContact CE-O 3.4Å; K28-F94 PolarHBondContact NZ-O 2.77Å; W81-F94 HydrophobicContact CD2-CD2 4.34Å; W81-F94 HydrophobicContact CE3-CB 4.05Å; W81-F94 HydrophobicContact CE3-CD2 4.47Å; W81-F94 HydrophobicContact CH2-CB 4.04Å; W81-F94 AromaticContact CH2-CD2 3.98Å; W81-F94 HydrophobicContact CH2-CD2 3.98Å; W81-F94 HydrophobicContact CH2-CG 4.36Å; W81-F94 AromaticContact CZ2-CD2 3.84Å; W81-F94 HydrophobicContact CZ2-CD2 3.84Å; W81-F94 HydrophobicContact CZ3-CB 3.69Å; W81-F94 HydrophobicContact CZ3-CD2 4.3Å; W81-F94 HydrophobicContact CZ3-CG 4.45Å; G91-F94 VanDerWaalsContact O-CB 3.29Å; G91-F94 WeakPolarHBondContact O-CB 3.44Å; G91-F94 PolarHBondContact O-N 3.45Å; F94-G96 VanDerWaalsContact CE2-O 3.26Å; F94-G96 WeakPolarHBondContact CE2-O 3.31Å; F94-C97 HydrophobicContact CE2-CB 3.96Å; F94-C97 HydrophobicContact CZ-CB 3.94Å; F94-L121 HydrophobicContact CD2-CD1 4.15Å; F94-L121 HydrophobicContact CE1-CB 4.38Å; F94-L121 HydrophobicContact CE1-CD1 4.32Å; F94-L121 HydrophobicContact CE2-CD1 3.41Å; F94-L121 VanDerWaalsContact CE2-CD1 3.41Å; F94-L121 HydrophobicContact CZ-CB 4.22Å; F94-L121 HydrophobicContact CZ-CD1 3.51Å; F94-L121 HydrophobicContact CZ-CG 4.47Å; F94-D127 HydrophobicContact CD1-CB 4.47Å; F94-V129 HydrophobicContact CD1-CG2 4.39Å; F94-V129 HydrophobicContact CE1-CG2 3.85Å
95	L	80.2	Confident	72.4	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-17	177.3	-63.1	178.1	0	0	0	113.4	L25 K28 P34 P36 V80 N82	L25-L95 HydrophobicContact CD1-CD1 4.14Å; L25-L95 HydrophobicContact CD2-CB 4.5Å; K28-L95 HydrophobicContact CD-CD2 4.32Å; K28-L95 HydrophobicContact CG-CD2 4.47Å; P34-L95 HydrophobicContact CB-CD1 4.12Å; P34-L95 HydrophobicContact CG-CD1 4.25Å; P36-L95 HydrophobicContact CB-CD1 3.98Å; V80-L95 HydrophobicContact CB-CB 4.35Å; V80-L95 HydrophobicContact CG1-CB 4.24Å; V80-L95 HydrophobicContact CG1-CD1 4.25Å; V80-L95 PolarHBondContact O-N 3.1Å; N82-L95 HydrophobicContact CB-CD1 4.09Å; N82-L95 HydrophobicContact CB-CD2 4.38Å; N82-L95 HydrophobicContact CB-CG 4.23Å
96	G	84.3	Confident	72.3	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.7	163.4	177.4	0	0	0	0	0	113	V80 F94	V80-G96 PolarHBondContact N-O 2.66Å; F94-G96 VanDerWaalsContact CE2-O 3.26Å; F94-G96 WeakPolarHBondContact CE2-O 3.31Å
97	C	85.6	Confident	72.3	Confident	9 Å²	9	71.8 Å²	71.8	6%	0.061	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.7	175.3	65.9	0	0	0	0	114	I78 F94 N119 L121	I78-C97 CarbonylContact O-C 3.5Å; I78-C97 WeakPolarHBondContact O-CA 3.36Å; I78-C97 WeakPolarHBondContact O-CB 3.36Å; F94-C97 HydrophobicContact CE2-CB 3.96Å; F94-C97 HydrophobicContact CZ-CB 3.94Å; C97-N119 PolarHBondContact N-O 2.95Å; C97-N119 WeakPolarHBondContact O-CA 3.34Å; C97-N119 WeakPolarHBondContact O-CB 3.33Å; C97-N119 PolarHBondContact O-N 2.81Å; C97-L121 HydrophobicContact CB-CD1 4.1Å
98	V	85.3	Confident	72.2	Confident	11 Å²	11	65.5 Å²	65.5	7%	0.067	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.6	167.1	178.9	0	0	0	0	108.5	I78 L100 L116 D117 L118 I133	I78-V98 PolarHBondContact N-O 3.5Å; I78-V98 PolarHBondContact O-N 3.09Å; V98-L100 HydrophobicContact CG1-CD2 4.15Å; V98-L100 HydrophobicContact CG1-CG 4.39Å; V98-L116 HydrophobicContact CG1-CB 4.02Å; V98-L116 HydrophobicContact CG1-CD1 3.8Å; V98-L116 HydrophobicContact CG1-CG 4.48Å; V98-L116 HydrophobicContact CG2-CB 3.86Å; V98-D117 WeakPolarHBondContact CG2-O 3.29Å; V98-L118 HydrophobicContact CG2-CD2 4.17Å; V98-I133 HydrophobicContact CG2-CG2 3.73Å
99	R	82.8	Confident	72.3	Confident	149 Å²	149	60.7 Å²	60.7	56%	0.562	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	115.2	173.7	-169.4	169.7	-172.4	-146.9	1	110.7	D43 S75 I76	D43-R99 IonicContact OD2-CZ 3.09Å; D43-R99 IonicContact OD2-NE 3.63Å; D43-R99 PolarHBondContact OD2-NE 3.23Å; D43-R99 IonicContact OD2-NH2 3.91Å; D43-R99 PolarHBondContact OD2-NH2 3.34Å; S75-R99 PolarHBondContact OG-NH2 2.84Å; I76-R99 CarbonylContact O-C 3.6Å; I76-R99 WeakPolarHBondContact O-CA 3.03Å
100	L	81.9	Confident	72.4	Confident	11 Å²	11	57.5 Å²	57.5	6%	0.058	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.6	179	-59.6	172.2	0	0	0	109.3	F17 S75 I76 I78 V98 I105 L108 L116 E135	F17-L100 HydrophobicContact CE2-CD1 4.42Å; F17-L100 HydrophobicContact CZ-CD1 4.49Å; S75-L100 CarbonylContact C-O 3.52Å; S75-L100 WeakPolarHBondContact CA-O 3.5Å; S75-L100 WeakPolarHBondContact CB-O 3.13Å; I76-L100 HydrophobicContact CB-CB 4.37Å; I76-L100 HydrophobicContact CB-CD1 4.48Å; I76-L100 HydrophobicContact CD1-CD1 4.45Å; I76-L100 PolarHBondContact N-O 3.35Å; I76-L100 PolarHBondContact O-N 2.71Å; I78-L100 HydrophobicContact CD1-CD1 4.4Å; V98-L100 HydrophobicContact CG1-CD2 4.15Å; V98-L100 HydrophobicContact CG1-CG 4.39Å; L100-I105 HydrophobicContact CB-CD1 4.19Å; L100-I105 HydrophobicContact CB-CG1 3.7Å; L100-I105 WeakPolarHBondContact O-CD1 3.35Å; L100-L108 HydrophobicContact CD2-CD1 3.92Å; L100-L116 HydrophobicContact CD2-CD1 3.72Å; L100-E135 WeakPolarHBondContact CD1-OE1 3.46Å
101	L	78.6	Confident	72.4	Confident	105 Å²	105	50.8 Å²	50.8	55%	0.55	27%	0.266	S	S	.	.			trans	-76.4	154.6	173.1	-59.5	177.4	0	0	0	110.7	N103 A104 I105	L101-N103 PolarHBondContact O-N 3.01Å; L101-N103 VanDerWaalsContact O-N 3.09Å; L101-A104 WeakPolarHBondContact O-CA 3.46Å; L101-A104 WeakPolarHBondContact O-CB 3.28Å; L101-A104 PolarHBondContact O-N 2.79Å; L101-I105 WeakPolarHBondContact O-CG1 3.48Å; L101-I105 PolarHBondContact O-N 3.13Å
102	S	73.5	Confident	72.6	Confident	28 Å²	28	50.4 Å²	50.4	20%	0.196	26%	0.263	C	S	.	.	H	α-helix	trans	-47.5	-41.5	179	56.9	0	0	0	0	113.8	K72 D74 A104 I105 N106	K72-S102 WeakPolarHBondContact O-CB 3.22Å; D74-S102 WeakPolarHBondContact O-CA 2.95Å; D74-S102 WeakPolarHBondContact O-CB 3.41Å; D74-S102 PolarHBondContact O-N 3.43Å; S102-A104 VanDerWaalsContact C-N 3.31Å; S102-A104 PolarHBondContact O-N 3.16Å; S102-I105 PolarHBondContact O-N 2.95Å; S102-N106 WeakPolarHBondContact O-CB 3.45Å; S102-N106 VanDerWaalsContact O-CG 3.3Å; S102-N106 PolarHBondContact O-N 3.36Å; S102-N106 PolarHBondContact O-ND2 2.92Å; S102-N106 VanDerWaalsContact O-ND2 3.12Å
103	N	72.7	Confident	72.9	Confident	108 Å²	108	54.8 Å²	54.8	58%	0.578	27%	0.272	S	S	*	.	H	α-helix	trans	-68.6	-23.4	177.5	-71.5	-11.4	0	0	0	114.6	L101 R107	L101-N103 PolarHBondContact O-N 3.01Å; L101-N103 VanDerWaalsContact O-N 3.09Å; N103-R107 WeakPolarHBondContact O-CG 3.39Å; N103-R107 PolarHBondContact O-NE 3.17Å
104	A	68.1	Low	72.7	Confident	35 Å²	35	57 Å²	57	29%	0.289	28%	0.282	S	S	.	.	H	α-helix	trans	-85.5	-46.4	172.3	0	0	0	0	0	110.1	L101 S102 N106 R107 L108	L101-A104 WeakPolarHBondContact O-CA 3.46Å; L101-A104 WeakPolarHBondContact O-CB 3.28Å; L101-A104 PolarHBondContact O-N 2.79Å; S102-A104 VanDerWaalsContact C-N 3.31Å; S102-A104 PolarHBondContact O-N 3.16Å; A104-N106 PolarHBondContact O-N 3.49Å; A104-R107 PolarHBondContact O-N 3.48Å; A104-L108 WeakPolarHBondContact O-CG 3.4Å; A104-L108 PolarHBondContact O-N 3.45Å
105	I	71.3	Confident	72.5	Confident	9 Å²	9	65.5 Å²	65.5	5%	0.046	31%	0.313	C	S	.	.	H	α-helix	trans	-52.4	-42.2	175.1	-61.6	164.5	0	0	0	110.4	I70 I76 L100 L101 S102 R107 L108 K109	I70-I105 HydrophobicContact CD1-CG2 4.23Å; I76-I105 HydrophobicContact CB-CD1 4.37Å; I76-I105 HydrophobicContact CD1-CD1 3.94Å; I76-I105 HydrophobicContact CD1-CG1 4.18Å; I76-I105 HydrophobicContact CG1-CD1 3.71Å; I76-I105 HydrophobicContact CG1-CG1 4.44Å; L100-I105 HydrophobicContact CB-CD1 4.19Å; L100-I105 HydrophobicContact CB-CG1 3.7Å; L100-I105 WeakPolarHBondContact O-CD1 3.35Å; L101-I105 WeakPolarHBondContact O-CG1 3.48Å; L101-I105 PolarHBondContact O-N 3.13Å; S102-I105 PolarHBondContact O-N 2.95Å; I105-R107 VanDerWaalsContact C-N 3.31Å; I105-R107 PolarHBondContact O-N 3.33Å; I105-L108 PolarHBondContact O-N 3.49Å; I105-K109 WeakPolarHBondContact O-CG 3.14Å; I105-K109 PolarHBondContact O-N 3.15Å
106	N	66.8	Low	72.3	Confident	86 Å²	86	67 Å²	67	46%	0.46	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-25.5	175.9	-77.1	-34.9	0	0	0	115.5	S102 A104 K109	S102-N106 WeakPolarHBondContact O-CB 3.45Å; S102-N106 VanDerWaalsContact O-CG 3.3Å; S102-N106 PolarHBondContact O-N 3.36Å; S102-N106 PolarHBondContact O-ND2 2.92Å; S102-N106 VanDerWaalsContact O-ND2 3.12Å; A104-N106 PolarHBondContact O-N 3.49Å; N106-K109 VanDerWaalsContact OD1-CE 3.31Å; N106-K109 WeakPolarHBondContact OD1-CE 3.48Å; N106-K109 PolarHBondContact OD1-NZ 3.3Å
107	R	64.1	Low	72	Confident	192 Å²	192	71.6 Å²	71.6	73%	0.725	35%	0.346	S	S	*	.	H	α-helix	trans	-91.3	-29.7	177.6	-63.7	175.9	-153.9	-131.5	3.9	112.8	N103 A104 I105 K109 T111	N103-R107 WeakPolarHBondContact O-CG 3.39Å; N103-R107 PolarHBondContact O-NE 3.17Å; A104-R107 PolarHBondContact O-N 3.48Å; I105-R107 VanDerWaalsContact C-N 3.31Å; I105-R107 PolarHBondContact O-N 3.33Å; R107-K109 VanDerWaalsContact C-N 3.31Å; R107-T111 WeakPolarHBondContact O-CG2 3.34Å
108	L	63.8	Low	71.8	Confident	30 Å²	30	71.8 Å²	71.8	16%	0.157	35%	0.346	C	S	.	.	H	α-helix	trans	-80.2	-13.1	-178	-61.5	175.3	0	0	0	112.7	L100 A104 I105 D110 T111 Q114 P137	L100-L108 HydrophobicContact CD2-CD1 3.92Å; A104-L108 WeakPolarHBondContact O-CG 3.4Å; A104-L108 PolarHBondContact O-N 3.45Å; I105-L108 PolarHBondContact O-N 3.49Å; L108-D110 PolarHBondContact O-N 3.37Å; L108-D110 VanDerWaalsContact O-N 3.17Å; L108-T111 WeakPolarHBondContact CA-OG1 3.4Å; L108-T111 WeakPolarHBondContact O-CB 3.44Å; L108-T111 PolarHBondContact O-N 3.19Å; L108-T111 VanDerWaalsContact O-N 3.11Å; L108-T111 PolarHBondContact O-OG1 3.09Å; L108-Q114 HydrophobicContact CD2-CG 4.05Å; L108-P137 HydrophobicContact CB-CG 3.93Å; L108-P137 WeakPolarHBondContact O-CG 3.28Å
109	K	64.3	Low	71.6	Confident	51 Å²	51	76 Å²	76	22%	0.222	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	123.1	174.5	-53.2	-171.8	169.6	174.4	0	110.1	F15 I105 N106 R107 T111	F15-K109 HydrophobicContact CE1-CB 4.49Å; F15-K109 HydrophobicContact CE1-CD 3.53Å; F15-K109 HydrophobicContact CE1-CG 3.78Å; F15-K109 HydrophobicContact CZ-CD 3.64Å; F15-K109 HydrophobicContact CZ-CG 4.36Å; I105-K109 WeakPolarHBondContact O-CG 3.14Å; I105-K109 PolarHBondContact O-N 3.15Å; N106-K109 VanDerWaalsContact OD1-CE 3.31Å; N106-K109 WeakPolarHBondContact OD1-CE 3.48Å; N106-K109 PolarHBondContact OD1-NZ 3.3Å; R107-K109 VanDerWaalsContact C-N 3.31Å; K109-T111 PolarHBondContact O-N 2.89Å; K109-T111 VanDerWaalsContact O-N 3.14Å
110	D	63	Low	71.4	Confident	100 Å²	100	74.9 Å²	74.9	54%	0.535	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	10.6	173.5	-44.4	-43.1	0	0	0	114.7	L108 G112 P137 S139	L108-D110 PolarHBondContact O-N 3.37Å; L108-D110 VanDerWaalsContact O-N 3.17Å; D110-G112 PolarHBondContact O-N 3.13Å; D110-G112 VanDerWaalsContact O-N 3.16Å; D110-P137 PolarHBondContact N-O 2.87Å; D110-S139 WeakPolarHBondContact OD1-CB 3.49Å; D110-S139 PolarHBondContact OD1-N 2.95Å; D110-S139 WeakPolarHBondContact OD2-CB 3.47Å
111	T	55.5	Low	70.5	Confident	63 Å²	63	79.6 Å²	79.6	39%	0.387	39%	0.389	S	S	.	.			trans	-80.3	17.2	178.7	63	0	0	0	0	114.9	R107 L108 K109 Q114	R107-T111 WeakPolarHBondContact O-CG2 3.34Å; L108-T111 WeakPolarHBondContact CA-OG1 3.4Å; L108-T111 WeakPolarHBondContact O-CB 3.44Å; L108-T111 PolarHBondContact O-N 3.19Å; L108-T111 VanDerWaalsContact O-N 3.11Å; L108-T111 PolarHBondContact O-OG1 3.09Å; K109-T111 PolarHBondContact O-N 2.89Å; K109-T111 VanDerWaalsContact O-N 3.14Å; T111-Q114 PolarHBondContact O-NE2 3.13Å; T111-Q114 PolarHBondContact OG1-NE2 3.12Å
112	G	65.1	Low	69.7	Low	25 Å²	25	75.8 Å²	75.8	26%	0.258	38%	0.375	S	S	.	.			trans	67	-148.2	-178.3	0	0	0	0	0	113.6	D110	D110-G112 PolarHBondContact O-N 3.13Å; D110-G112 VanDerWaalsContact O-N 3.16Å
113	Y	70.2	Confident	68.7	Low	131 Å²	131	80.7 Å²	80.7	51%	0.514	41%	0.406	S	S	.	.			trans	-78.2	124	-178.6	-70	-75.8	0	0	0	111.6	L18 L20 V134 E135 K136	L18-Y113 HydrophobicContact CD2-CE1 3.93Å; L20-Y113 HydrophobicContact CD1-CE1 4.06Å; L20-Y113 HydrophobicContact CD2-CD1 4.28Å; L20-Y113 HydrophobicContact CD2-CE1 4.08Å; L20-Y113 HydrophobicContact CG-CE1 4.48Å; Y113-V134 HydrophobicContact CD1-CG1 4.29Å; Y113-E135 CarbonylContact C-O 3.25Å; Y113-E135 WeakPolarHBondContact CA-O 3.47Å; Y113-K136 HydrophobicContact CD1-CB 3.78Å; Y113-K136 HydrophobicContact CD1-CD 4.45Å; Y113-K136 HydrophobicContact CD1-CG 4.48Å; Y113-K136 HydrophobicContact CE1-CB 3.9Å; Y113-K136 HydrophobicContact CE1-CD 4.14Å; Y113-K136 HydrophobicContact CE2-CD 4.41Å; Y113-K136 HydrophobicContact CG-CB 4.48Å
114	Q	67.8	Low	67.6	Low	47 Å²	47	83 Å²	83	22%	0.22	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	143	178.1	-64.8	-60.6	-42.8	0	0	110.2	L108 T111 V134 E135	L108-Q114 HydrophobicContact CD2-CG 4.05Å; T111-Q114 PolarHBondContact O-NE2 3.13Å; T111-Q114 PolarHBondContact OG1-NE2 3.12Å; Q114-V134 WeakPolarHBondContact O-CA 3.08Å; Q114-V134 VanDerWaalsContact O-CB 3.28Å; Q114-V134 WeakPolarHBondContact O-CB 3.39Å; Q114-V134 WeakPolarHBondContact O-CG1 3.41Å; Q114-E135 HydrophobicContact CB-CG 4.19Å; Q114-E135 PolarHBondContact N-O 2.95Å; Q114-E135 PolarHBondContact O-N 2.7Å
115	R	78.3	Confident	67.2	Low	183 Å²	183	84.3 Å²	84.3	69%	0.691	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.4	173.2	-64.8	179	-167.9	175	7.8	108.3	I133 V134	R115-I133 WeakPolarHBondContact CA-O 3.33Å; R115-V134 HydrophobicContact CG-CB 4.06Å
116	L	75.2	Confident	66.5	Low	34 Å²	34	91.5 Å²	91.5	18%	0.178	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.9	-173.8	-57.3	175	0	0	0	109.3	V98 L100 Q132 I133 E135	V98-L116 HydrophobicContact CG1-CB 4.02Å; V98-L116 HydrophobicContact CG1-CD1 3.8Å; V98-L116 HydrophobicContact CG1-CG 4.48Å; V98-L116 HydrophobicContact CG2-CB 3.86Å; L100-L116 HydrophobicContact CD2-CD1 3.72Å; L116-Q132 WeakPolarHBondContact O-CA 3.38Å; L116-I133 HydrophobicContact CB-CG2 4.21Å; L116-I133 PolarHBondContact N-O 2.72Å; L116-I133 PolarHBondContact O-N 3.1Å; L116-E135 VanDerWaalsContact CD1-CD 3.44Å; L116-E135 HydrophobicContact CD1-CG 4.25Å; L116-E135 WeakPolarHBondContact CD1-OE1 3.49Å
117	D	79.2	Confident	66.4	Low	97 Å²	97	89.7 Å²	89.7	52%	0.519	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	134.4	177	-63.6	-68.2	0	0	0	111	V98 N119 Q132	V98-D117 WeakPolarHBondContact CG2-O 3.29Å; D117-N119 PolarHBondContact O-ND2 2.65Å; D117-Q132 WeakPolarHBondContact OD1-CG 3.47Å; D117-Q132 PolarHBondContact OD1-NE2 2.98Å
118	L	80.8	Confident	66.4	Low	12 Å²	12	85.1 Å²	85.1	6%	0.063	44%	0.443	C	S	.	.			trans	-74.2	131.4	177.6	-68.9	165.3	0	0	0	110.2	L25 V80 V98 V129 G131 I133	L25-L118 HydrophobicContact CD2-CD1 3.33Å; V80-L118 HydrophobicContact CG2-CD1 4.31Å; V80-L118 HydrophobicContact CG2-CD2 3.93Å; V98-L118 HydrophobicContact CG2-CD2 4.17Å; L118-V129 HydrophobicContact CB-CG1 3.86Å; L118-V129 VanDerWaalsContact O-CG1 3.24Å; L118-V129 WeakPolarHBondContact O-CG1 3.28Å; L118-G131 WeakPolarHBondContact CB-O 3.4Å; L118-G131 PolarHBondContact N-O 2.74Å; L118-I133 HydrophobicContact CD2-CB 4.32Å; L118-I133 HydrophobicContact CD2-CG2 4.26Å
119	N	81.1	Confident	66.8	Low	99 Å²	99	85 Å²	85	53%	0.529	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-113.7	168.7	-177.9	-70.5	-79.1	0	0	0	111.7	C97 D117	C97-N119 PolarHBondContact N-O 2.95Å; C97-N119 WeakPolarHBondContact O-CA 3.34Å; C97-N119 WeakPolarHBondContact O-CB 3.33Å; C97-N119 PolarHBondContact O-N 2.81Å; D117-N119 PolarHBondContact O-ND2 2.65Å
120	R	77.6	Confident	66.8	Low	127 Å²	127	90 Å²	90	48%	0.479	46%	0.461	S	S	.	.			trans	-75	154.3	172.1	-56.4	-171.9	-168.9	-175.3	4.6	110.5	D125 D127 V129	R120-D125 HydrophobicContact CB-CB 4.48Å; R120-D125 VanDerWaalsContact CD-O 3.31Å; R120-D125 WeakPolarHBondContact CD-O 3.45Å; R120-D125 PolarHBondContact NH1-O 2.94Å; R120-D127 PolarHBondContact NE-O 3Å; R120-V129 HydrophobicContact CG-CB 4.27Å; R120-V129 HydrophobicContact CG-CG2 3.95Å
121	L	62.7	Low	67	Low	110 Å²	110	85.8 Å²	85.8	58%	0.576	44%	0.441	S	S	*	.	S	Bend	trans	-73.5	-33.2	-177.6	-132.9	107.2	0	0	0	112.1	F94 C97	F94-L121 HydrophobicContact CD2-CD1 4.15Å; F94-L121 HydrophobicContact CE1-CB 4.38Å; F94-L121 HydrophobicContact CE1-CD1 4.32Å; F94-L121 HydrophobicContact CE2-CD1 3.41Å; F94-L121 VanDerWaalsContact CE2-CD1 3.41Å; F94-L121 HydrophobicContact CZ-CB 4.22Å; F94-L121 HydrophobicContact CZ-CD1 3.51Å; F94-L121 HydrophobicContact CZ-CG 4.47Å; C97-L121 HydrophobicContact CB-CD1 4.1Å
122	G	62.3	Low	67.8	Low	24 Å²	24	86.2 Å²	86.2	25%	0.247	44%	0.438	C	S	.	.	S	Bend	trans	-142.7	164.8	168.2	0	0	0	0	0	113.7	N124 D125	G122-N124 PolarHBondContact O-N 2.79Å; G122-D125 PolarHBondContact N-OD2 2.69Å; G122-D125 PolarHBondContact O-N 2.72Å
123	P	52.4	Low	68.4	Low	131 Å²	131	85 Å²	85	85%	0.851	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.2	-176.8	26.8	-34.8	0	0	0	114.3
124	N	49.1	Very low	68.5	Low	158 Å²	158	79.5 Å²	79.5	85%	0.845	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	3.3	179.9	-68.7	-4.6	0	0	0	113.7	G122	G122-N124 PolarHBondContact O-N 2.79Å
125	D	60.4	Low	69	Low	61 Å²	61	77.2 Å²	77.2	33%	0.326	40%	0.396	S	S	.	.			trans	-75.4	126.2	176.9	-77.6	-40.7	0	0	0	111	R120 G122 D127	R120-D125 HydrophobicContact CB-CB 4.48Å; R120-D125 VanDerWaalsContact CD-O 3.31Å; R120-D125 WeakPolarHBondContact CD-O 3.45Å; R120-D125 PolarHBondContact NH1-O 2.94Å; G122-D125 PolarHBondContact N-OD2 2.69Å; G122-D125 PolarHBondContact O-N 2.72Å; D125-D127 PolarHBondContact O-N 3.35Å
126	N	57	Low	68.8	Low	161 Å²	161	72 Å²	72	86%	0.861	38%	0.378	S	S	*	.			trans	-82.5	10.8	175.3	-104.1	-13.9	0	0	0	113.8
127	D	65.1	Low	68.6	Low	47 Å²	47	70.8 Å²	70.8	25%	0.251	37%	0.372	S	S	.	.			trans	-73.4	126.8	-178.3	-98.8	-36.5	0	0	0	112.5	K28 F94 R120 D125 V129	K28-D127 IonicContact NZ-OD1 2.75Å; K28-D127 PolarHBondContact NZ-OD1 2.92Å; K28-D127 IonicContact NZ-OD2 2.88Å; F94-D127 HydrophobicContact CD1-CB 4.47Å; R120-D127 PolarHBondContact NE-O 3Å; D125-D127 PolarHBondContact O-N 3.35Å; D127-V129 PolarHBondContact O-N 2.83Å
128	T	64.5	Low	67.9	Low	96 Å²	96	68 Å²	68	59%	0.589	36%	0.358	S	S	*	.			trans	-66	106.7	167.6	-47.5	0	0	0	0	109.3	A26 K28	A26-T128 HydrophobicContact CB-CG2 4.45Å; A26-T128 VanDerWaalsContact CB-O 3.26Å; A26-T128 WeakPolarHBondContact CB-O 3.47Å; K28-T128 WeakPolarHBondContact CE-O 3.09Å
129	V	72.1	Confident	67	Low	29 Å²	29	69 Å²	69	18%	0.176	37%	0.366	C	S	.	.			trans	-106.9	133.9	171.3	175.5	0	0	0	0	108.4	F94 L118 R120 D127	F94-V129 HydrophobicContact CD1-CG2 4.39Å; F94-V129 HydrophobicContact CE1-CG2 3.85Å; L118-V129 HydrophobicContact CB-CG1 3.86Å; L118-V129 VanDerWaalsContact O-CG1 3.24Å; L118-V129 WeakPolarHBondContact O-CG1 3.28Å; R120-V129 HydrophobicContact CG-CB 4.27Å; R120-V129 HydrophobicContact CG-CG2 3.95Å; D127-V129 PolarHBondContact O-N 2.83Å
130	R	64.1	Low	65.7	Low	155 Å²	155	68.3 Å²	68.3	59%	0.585	36%	0.362	S	S	*	.			trans	-151.6	147.2	173.7	-174.3	-172.7	-79.4	-165.4	-5.3	106.9	N24 L25 A26	N24-R130 CarbonylContact O-C 3.47Å; N24-R130 WeakPolarHBondContact O-CG 3.29Å; N24-R130 WeakPolarHBondContact OD1-CD 3.42Å; L25-R130 WeakPolarHBondContact CA-O 3.5Å; A26-R130 HydrophobicContact CB-CB 4.11Å; A26-R130 PolarHBondContact N-O 2.84Å
131	G	67.3	Low	64.2	Low	11 Å²	11	70.3 Å²	70.3	11%	0.113	38%	0.377	C	S	.	.			trans	124.6	169.6	169.7	0	0	0	0	0	113.1	K23 N24 L118	K23-G131 CarbonylContact O-C 3.55Å; K23-G131 WeakPolarHBondContact O-CA 3.2Å; N24-G131 WeakPolarHBondContact O-CA 3.4Å; N24-G131 PolarHBondContact O-N 3.25Å; L118-G131 WeakPolarHBondContact CB-O 3.4Å; L118-G131 PolarHBondContact N-O 2.74Å
132	Q	71.9	Confident	63.1	Low	72 Å²	72	69.9 Å²	69.9	34%	0.336	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144.5	178.6	-75	175.5	-4	0	0	109.4	A22 K23 L116 D117	A22-Q132 CarbonylContact C-O 3.52Å; A22-Q132 WeakPolarHBondContact CA-O 3.37Å; A22-Q132 WeakPolarHBondContact CB-O 3.46Å; K23-Q132 PolarHBondContact N-O 2.86Å; K23-Q132 PolarHBondContact O-N 2.86Å; L116-Q132 WeakPolarHBondContact O-CA 3.38Å; D117-Q132 WeakPolarHBondContact OD1-CG 3.47Å; D117-Q132 PolarHBondContact OD1-NE2 2.98Å
133	I	76.8	Confident	61.7	Low	0 Å²	0	79.7 Å²	79.7	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	145.1	165.5	-166.6	158.5	0	0	0	109	V19 A38 W62 I78 V80 V98 R115 L116 L118	V19-I133 HydrophobicContact CG1-CD1 4.07Å; V19-I133 HydrophobicContact CG1-CG1 4.47Å; A38-I133 HydrophobicContact CB-CD1 4.4Å; W62-I133 HydrophobicContact CZ3-CD1 4.2Å; I78-I133 HydrophobicContact CG2-CD1 3.66Å; V80-I133 HydrophobicContact CG2-CD1 4.07Å; V98-I133 HydrophobicContact CG2-CG2 3.73Å; R115-I133 WeakPolarHBondContact CA-O 3.33Å; L116-I133 HydrophobicContact CB-CG2 4.21Å; L116-I133 PolarHBondContact N-O 2.72Å; L116-I133 PolarHBondContact O-N 3.1Å; L118-I133 HydrophobicContact CD2-CB 4.32Å; L118-I133 HydrophobicContact CD2-CG2 4.26Å
134	V	73.8	Confident	60.8	Low	15 Å²	15	80.3 Å²	80.3	9%	0.091	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.3	173.5	150.4	0	0	0	0	111.7	L20 C21 Y113 Q114 R115	L20-V134 HydrophobicContact CB-CG1 4.28Å; L20-V134 WeakPolarHBondContact CB-O 3.49Å; L20-V134 HydrophobicContact CD2-CG1 4.01Å; L20-V134 PolarHBondContact N-O 3.38Å; C21-V134 PolarHBondContact N-O 2.85Å; C21-V134 PolarHBondContact O-N 3.2Å; C21-V134 WeakPolarHBondContact SG-CG2 3.44Å; Y113-V134 HydrophobicContact CD1-CG1 4.29Å; Q114-V134 WeakPolarHBondContact O-CA 3.08Å; Q114-V134 VanDerWaalsContact O-CB 3.28Å; Q114-V134 WeakPolarHBondContact O-CB 3.39Å; Q114-V134 WeakPolarHBondContact O-CG1 3.41Å; R115-V134 HydrophobicContact CG-CB 4.06Å
135	E	77.6	Confident	59.9	Low	0 Å²	0	84.5 Å²	84.5	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	163.8	-165.1	58.5	-176.6	-122.6	0	0	110.5	F17 L18 I78 L100 Y113 Q114 L116	F17-E135 HydrophobicContact CE1-CB 4.38Å; F17-E135 HydrophobicContact CZ-CB 3.95Å; F17-E135 VanDerWaalsContact CZ-CD 3.46Å; F17-E135 HydrophobicContact CZ-CG 4.2Å; F17-E135 WeakPolarHBondContact CZ-OE1 3.3Å; L18-E135 CarbonylContact O-C 3.34Å; L18-E135 WeakPolarHBondContact O-CA 3.45Å; L18-E135 WeakPolarHBondContact O-CB 3.41Å; I78-E135 WeakPolarHBondContact CD1-OE2 3.2Å; L100-E135 WeakPolarHBondContact CD1-OE1 3.46Å; Y113-E135 CarbonylContact C-O 3.25Å; Y113-E135 WeakPolarHBondContact CA-O 3.47Å; Q114-E135 HydrophobicContact CB-CG 4.19Å; Q114-E135 PolarHBondContact N-O 2.95Å; Q114-E135 PolarHBondContact O-N 2.7Å; L116-E135 VanDerWaalsContact CD1-CD 3.44Å; L116-E135 HydrophobicContact CD1-CG 4.25Å; L116-E135 WeakPolarHBondContact CD1-OE1 3.49Å
136	K	74.4	Confident	58.7	Low	73 Å²	73	90.4 Å²	90.4	32%	0.317	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	103.3	173.1	-176.3	-177.2	179.5	-176.9	0	109.8	L18 Y113 V138	L18-K136 HydrophobicContact CB-CB 4.19Å; L18-K136 HydrophobicContact CD2-CB 4.3Å; L18-K136 PolarHBondContact N-O 2.94Å; L18-K136 VanDerWaalsContact N-O 3.11Å; L18-K136 PolarHBondContact O-N 3.18Å; Y113-K136 HydrophobicContact CD1-CB 3.78Å; Y113-K136 HydrophobicContact CD1-CD 4.45Å; Y113-K136 HydrophobicContact CD1-CG 4.48Å; Y113-K136 HydrophobicContact CE1-CB 3.9Å; Y113-K136 HydrophobicContact CE1-CD 4.14Å; Y113-K136 HydrophobicContact CE2-CD 4.41Å; Y113-K136 HydrophobicContact CG-CB 4.48Å; K136-V138 HydrophobicContact CD-CG2 4.09Å; K136-V138 HydrophobicContact CG-CG2 3.85Å
137	P	71.3	Confident	57.2	Low	8 Å²	8	86.3 Å²	86.3	5%	0.052	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.9	171.5	29.5	-29.9	0	0	0	111.5	F17 L108 D110	F17-P137 HydrophobicContact CD2-CB 3.95Å; F17-P137 HydrophobicContact CE2-CB 4.05Å; L108-P137 HydrophobicContact CB-CG 3.93Å; L108-P137 WeakPolarHBondContact O-CG 3.28Å; D110-P137 PolarHBondContact N-O 2.87Å
138	V	64.8	Low	55.5	Low	39 Å²	39	89.8 Å²	89.8	24%	0.236	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.8	179.3	-174.6	0	0	0	0	110.6	F15 L16 K136	F15-V138 WeakPolarHBondContact CA-O 3.44Å; L16-V138 HydrophobicContact CB-CB 4.34Å; L16-V138 PolarHBondContact N-O 2.82Å; L16-V138 PolarHBondContact O-N 2.88Å; K136-V138 HydrophobicContact CD-CG2 4.09Å; K136-V138 HydrophobicContact CG-CG2 3.85Å
139	S	60.9	Low	53.8	Low	33 Å²	33	89.3 Å²	89.3	23%	0.231	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.4	-179.4	-170.1	0	0	0	0	111.7	D110 Q141	D110-S139 WeakPolarHBondContact OD1-CB 3.49Å; D110-S139 PolarHBondContact OD1-N 2.95Å; D110-S139 WeakPolarHBondContact OD2-CB 3.47Å; S139-Q141 PolarHBondContact O-N 3.34Å
140	L	53.1	Low	51.5	Low	85 Å²	85	91.4 Å²	91.4	45%	0.445	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	104.3	172	-67	172.4	0	0	0	109.6	T14 L16 S142	T14-L140 HydrophobicContact CG2-CD1 4.38Å; T14-L140 PolarHBondContact O-N 3.37Å; L16-L140 HydrophobicContact CB-CD1 4.23Å; L16-L140 HydrophobicContact CB-CG 4.47Å; L140-S142 PolarHBondContact O-N 2.78Å
141	Q	46.3	Very low	50	Low	168 Å²	168	90.2 Å²	90.2	79%	0.785	52%	0.52	S	S	*	.			trans	-68.4	124.4	176.2	-69.2	-170.5	8.6	0	0	111.5	S139 R143	S139-Q141 PolarHBondContact O-N 3.34Å; Q141-R143 PolarHBondContact O-N 3.03Å
142	S	39.5	Very low	48.2	Very low	101 Å²	101	96.3 Å²	96.3	71%	0.706	56%	0.555	S	S	*	*			trans	-67.7	101.2	173.8	-170.4	0	0	0	0	111	L140 D144	L140-S142 PolarHBondContact O-N 2.78Å; S142-D144 PolarHBondContact O-N 3.19Å
143	R	33.8	Very low	46.3	Very low	231 Å²	231	98.5 Å²	98.5	87%	0.872	57%	0.573	S	S	*	*			trans	-87.3	84.6	170.2	-88.5	176	58.4	173.9	-4.1	110.9	Q141 R145	Q141-R143 PolarHBondContact O-N 3.03Å; R143-R145 PolarHBondContact O-N 3.16Å
144	D	33.9	Very low	44	Very low	144 Å²	144	103.9 Å²	103.9	77%	0.77	60%	0.602	S	S	*	*			trans	-69.4	93.8	163.1	-76.2	-57.4	0	0	0	110.7	S142	S142-D144 PolarHBondContact O-N 3.19Å
145	R	29.7	Very low	41.9	Very low	245 Å²	245	106.8 Å²	106.8	93%	0.925	62%	0.622	S	S	*	*			trans	-144.4	131.1	154.4	-77.4	-158.9	175.5	176.6	-0.4	111.6	R143	R143-R145 PolarHBondContact O-N 3.16Å
146	I	34.2	Very low	39.6	Very low	186 Å²	186	110 Å²	110	95%	0.954	64%	0.644	S	S	*	*			trans	-71.6	133.4	-177.4	-63.6	159.9	0	0	0	110.5
147	G	26.3	Very low	37.4	Very low	74 Å²	74	117.3 Å²	117.3	76%	0.763	67%	0.67	S	S	*	*			trans	-176.1	135	174.3	0	0	0	0	0	111
148	S	29.6	Very low	35.6	Very low	121 Å²	121	123.3 Å²	123.3	85%	0.846	70%	0.701	S	S	*	*			trans	-86.4	139.8	-164.6	53.4	0	0	0	0	115.5
149	G	29.1	Very low	34	Very low	86 Å²	86	129.6 Å²	129.6	89%	0.887	73%	0.725	S	S	*	*			trans	65.8	98.3	143.2	0	0	0	0	0	118.6
150	G	24	Very low	32.9	Very low	72 Å²	72	133.4 Å²	133.4	74%	0.742	74%	0.743	S	S	*	*			trans	-172	151.1	168.7	0	0	0	0	0	110.3
151	P	32.5	Very low	32.2	Very low	130 Å²	130	135.5 Å²	135.5	84%	0.844	76%	0.755	S	S	*	*			trans	-75.5	166.7	-162.9	30.6	-36.5	0	0	0	114.4	V153	P151-V153 PolarHBondContact O-N 3.3Å
152	V	28.6	Very low	32.2	Very low	140 Å²	140	133.4 Å²	133.4	85%	0.848	75%	0.749	S	S	*	*			trans	-34.5	121.8	171.1	176.2	0	0	0	0	111.7	D154	V152-D154 PolarHBondContact O-N 3.24Å
153	V	31.8	Very low	32.6	Very low	118 Å²	118	130.2 Å²	130.2	72%	0.715	72%	0.723	S	S	*	*			trans	-68.2	111.8	168.5	179.6	0	0	0	0	107.6	P151 C155	P151-V153 PolarHBondContact O-N 3.3Å; V153-C155 PolarHBondContact O-N 2.82Å; V153-C155 VanDerWaalsContact O-N 3.15Å
154	D	28.4	Very low	33.9	Very low	113 Å²	113	120.6 Å²	120.6	60%	0.604	69%	0.691	S	S	*	*			trans	-69.8	104.7	167	176.6	15.8	0	0	0	109	V152 S156	V152-D154 PolarHBondContact O-N 3.24Å; D154-S156 PolarHBondContact O-N 3.03Å; D154-S156 WeakPolarHBondContact OD1-CB 3.32Å; D154-S156 PolarHBondContact OD1-N 2.74Å; D154-S156 PolarHBondContact OD1-OG 2.81Å; D154-S156 VanDerWaalsContact OD1-OG 3.08Å; D154-S156 PolarHBondContact OD2-OG 2.81Å
155	C	31.1	Very low	35	Very low	76 Å²	76	120 Å²	120	51%	0.514	69%	0.688	S	S	.	*	G	3₁₀ helix	trans	-76.2	8.2	-179	-65.9	0	0	0	0	113.9	V153 R157 L158	V153-C155 PolarHBondContact O-N 2.82Å; V153-C155 VanDerWaalsContact O-N 3.15Å; C155-R157 PolarHBondContact O-N 2.93Å; C155-L158 HydrophobicContact CB-CD1 4.43Å; C155-L158 PolarHBondContact O-N 2.67Å
156	S	28	Very low	36.4	Very low	67 Å²	67	109.7 Å²	109.7	47%	0.469	66%	0.657	S	S	.	*	G	3₁₀ helix	trans	-56	-13.5	172.4	66.2	0	0	0	0	114.5	D154	D154-S156 PolarHBondContact O-N 3.03Å; D154-S156 WeakPolarHBondContact OD1-CB 3.32Å; D154-S156 PolarHBondContact OD1-N 2.74Å; D154-S156 PolarHBondContact OD1-OG 2.81Å; D154-S156 VanDerWaalsContact OD1-OG 3.08Å; D154-S156 PolarHBondContact OD2-OG 2.81Å
157	R	29.6	Very low	37.7	Very low	227 Å²	227	101.7 Å²	101.7	86%	0.857	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-103.5	12.5	-178.2	-59.5	-171.6	-179	-175.8	0.2	116	C155	C155-R157 PolarHBondContact O-N 2.93Å
158	L	33.4	Very low	39.6	Very low	134 Å²	134	101.9 Å²	101.9	70%	0.702	60%	0.596	S	S	*	*			trans	-98.3	14.4	174.6	-76.7	170.3	0	0	0	114	C155	C155-L158 HydrophobicContact CB-CD1 4.43Å; C155-L158 PolarHBondContact O-N 2.67Å
159	F	31.3	Very low	41.5	Very low	171 Å²	171	99.3 Å²	99.3	75%	0.75	57%	0.571	S	S	*	*	S	Bend	trans	-95.1	99.4	171	-65.1	-72.1	0	0	0	109.6	N161	F159-N161 PolarHBondContact O-N 2.78Å; F159-N161 VanDerWaalsContact O-N 3.13Å
160	D	36.5	Very low	43.2	Very low	112 Å²	112	102.1 Å²	102.1	60%	0.599	56%	0.555	S	S	*	*			trans	-61.2	114.6	-177.5	-69.5	-34.9	0	0	0	112	D162 R191	D160-D162 HydrophobicContact CB-CB 4.27Å; D160-R191 PolarHBondContact O-NH1 3.22Å; D160-R191 PolarHBondContact O-NH2 3.38Å
161	N	39.5	Very low	45.1	Very low	130 Å²	130	106 Å²	106	70%	0.695	55%	0.547	S	S	*	.			trans	-74.4	-8.1	155.5	-76.7	-53.2	0	0	0	111.7	F159 R191	F159-N161 PolarHBondContact O-N 2.78Å; F159-N161 VanDerWaalsContact O-N 3.13Å; N161-R191 PolarHBondContact O-NH2 3.15Å
162	D	45.2	Very low	46.4	Very low	124 Å²	124	101.4 Å²	101.4	66%	0.663	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-64.2	142.6	-179	-67.3	-1	0	0	0	111.3	D160 R191	D160-D162 HydrophobicContact CB-CB 4.27Å; D162-R191 PolarHBondContact O-NH2 3.29Å
163	L	48.6	Very low	47.3	Very low	33 Å²	33	100.6 Å²	100.6	17%	0.173	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-94.2	159.6	-177.2	-62.6	166.8	0	0	0	110.1	W167 E169 Y179 R191 P192	L163-W167 HydrophobicContact CB-CB 3.77Å; L163-W167 HydrophobicContact CD1-CB 4.2Å; L163-E169 HydrophobicContact CD1-CB 3.94Å; L163-Y179 HydrophobicContact CD1-CD1 3.68Å; L163-Y179 HydrophobicContact CD1-CE1 4.08Å; L163-Y179 HydrophobicContact CD2-CD1 3.63Å; L163-Y179 HydrophobicContact CD2-CE1 3.55Å; L163-Y179 HydrophobicContact CG-CD1 4.32Å; L163-Y179 HydrophobicContact CG-CE1 4.41Å; L163-R191 HydrophobicContact CD2-CG 3.79Å; L163-P192 HydrophobicContact CD2-CG 3.93Å
164	P	60.9	Low	48.1	Very low	29 Å²	29	99.4 Å²	99.4	19%	0.188	52%	0.521	C	S	.	.	S	Bend	trans	-58.4	153.4	173.4	-19.1	31.8	0	0	0	111.4	G166 W167 P192 R194	P164-G166 PolarHBondContact O-N 3.45Å; P164-W167 WeakPolarHBondContact O-CB 3.48Å; P164-W167 PolarHBondContact O-N 3.31Å; P164-W167 VanDerWaalsContact O-N 3.09Å; P164-P192 WeakPolarHBondContact CD-O 3.43Å; P164-P192 HydrophobicContact CG-CB 4.39Å; P164-P192 WeakPolarHBondContact CG-O 3.21Å; P164-R194 VanDerWaalsContact CB-O 3.28Å; P164-R194 WeakPolarHBondContact CB-O 3.27Å
165	D	57.5	Low	48.8	Very low	132 Å²	132	96.2 Å²	96.2	71%	0.706	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	127.8	-174.7	-67	-34.5	0	0	0	112.9	P195 A196	D165-P195 HydrophobicContact CB-CB 4.47Å; D165-A196 WeakPolarHBondContact O-CB 3.34Å; D165-A196 PolarHBondContact O-N 3.16Å
166	G	57.7	Low	49.4	Very low	28 Å²	28	98.6 Å²	98.6	29%	0.289	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	12.4	-179.4	0	0	0	0	0	115.8	P164 H182 A196	P164-G166 PolarHBondContact O-N 3.45Å; G166-H182 WeakPolarHBondContact O-CB 3.48Å; G166-H182 PolarHBondContact O-CD2 3.46Å; G166-H182 PolarHBondContact O-N 2.94Å; G166-A196 WeakPolarHBondContact O-CB 3.2Å
167	W	62.5	Low	50.6	Low	18 Å²	18	98.3 Å²	98.3	7%	0.068	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.7	171.3	-69	94.5	0	0	0	113	L163 P164 L180 N181 Q188 P192 R194 A196 Y199	L163-W167 HydrophobicContact CB-CB 3.77Å; L163-W167 HydrophobicContact CD1-CB 4.2Å; P164-W167 WeakPolarHBondContact O-CB 3.48Å; P164-W167 PolarHBondContact O-N 3.31Å; P164-W167 VanDerWaalsContact O-N 3.09Å; W167-L180 CarbonylContact C-O 3.38Å; W167-L180 VanDerWaalsContact CA-O 3.28Å; W167-L180 WeakPolarHBondContact CA-O 3.46Å; W167-L180 VanDerWaalsContact CE3-C 3.48Å; W167-N181 HydrophobicContact CD2-CB 4.21Å; W167-N181 HydrophobicContact CE3-CB 3.84Å; W167-N181 HydrophobicContact CH2-CB 3.68Å; W167-N181 HydrophobicContact CZ2-CB 4.07Å; W167-N181 WeakPolarHBondContact CZ2-ND2 3.42Å; W167-N181 HydrophobicContact CZ3-CB 3.56Å; W167-Q188 VanDerWaalsContact CH2-CD 3.43Å; W167-Q188 HydrophobicContact CH2-CG 4Å; W167-Q188 HydrophobicContact CZ3-CG 3.72Å; W167-P192 HydrophobicContact CB-CG 3.89Å; W167-P192 HydrophobicContact CD2-CB 3.48Å; W167-P192 VanDerWaalsContact CD2-CB 3.48Å; W167-P192 HydrophobicContact CD2-CG 3.47Å; W167-P192 VanDerWaalsContact CD2-CG 3.47Å; W167-P192 HydrophobicContact CE3-CB 3.95Å; W167-P192 HydrophobicContact CE3-CG 3.73Å; W167-P192 HydrophobicContact CG-CB 3.81Å; W167-P192 HydrophobicContact CG-CG 3.55Å; W167-P192 HydrophobicContact CH2-CB 4.24Å; W167-P192 HydrophobicContact CZ2-CB 3.79Å; W167-P192 HydrophobicContact CZ3-CB 4.31Å; W167-P192 HydrophobicContact CZ3-CG 4.42Å; W167-R194 PolarHBondContact NE1-O 2.86Å; W167-A196 HydrophobicContact CG-CB 4.4Å; W167-Y199 HydrophobicContact CZ2-CD2 4.09Å; W167-Y199 AromaticContact CZ2-CE2 3.83Å; W167-Y199 HydrophobicContact CZ2-CE2 3.83Å
168	E	66.8	Low	52.1	Low	78 Å²	78	89.2 Å²	89.2	36%	0.364	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.6	175.4	163.2	179.7	-139.4	0	0	111.7	Y179 L180 H182	E168-Y179 CarbonylContact O-C 3.52Å; E168-Y179 WeakPolarHBondContact O-CA 3.37Å; E168-L180 HydrophobicContact CB-CB 4.45Å; E168-L180 PolarHBondContact N-O 3.03Å; E168-L180 PolarHBondContact O-N 2.91Å; E168-L180 WeakPolarHBondContact OE2-CD2 3.4Å; E168-H182 WeakPolarHBondContact CB-NE2 3.21Å; E168-H182 IonicContact OE2-CE1 2.62Å; E168-H182 PolarHBondContact OE2-CE1 3.28Å; E168-H182 VanDerWaalsContact OE2-CE1 3.26Å; E168-H182 IonicContact OE2-NE2 3.26Å
169	E	69.2	Low	53.9	Low	67 Å²	67	84 Å²	84	31%	0.313	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	116	165.7	163.1	163.2	143.1	0	0	108.6	L163 R171 I177 Y179	L163-E169 HydrophobicContact CD1-CB 3.94Å; E169-R171 IonicContact OE1-CZ 3.36Å; E169-R171 IonicContact OE1-NE 3.3Å; E169-R171 PolarHBondContact OE1-NE 2.74Å; E169-R171 IonicContact OE1-NH2 2.7Å; E169-R171 PolarHBondContact OE1-NH2 2.81Å; E169-I177 HydrophobicContact CG-CG1 4.45Å; E169-I177 HydrophobicContact CG-CG2 3.85Å; E169-Y179 HydrophobicContact CB-CD1 4.33Å; E169-Y179 HydrophobicContact CB-CE1 4.14Å
170	R	64.1	Low	55.3	Low	145 Å²	145	77.3 Å²	77.3	55%	0.547	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.9	174.5	-164.8	171.2	-170.5	148.7	2.4	110.3	Q178	R170-Q178 PolarHBondContact N-O 2.83Å; R170-Q178 PolarHBondContact O-N 3.3Å
171	R	63.6	Low	57	Low	154 Å²	154	72 Å²	72	58%	0.581	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.2	172	-69.5	176.5	-176.3	-99.5	-8.5	110.2	E169 R176 I177	E169-R171 IonicContact OE1-CZ 3.36Å; E169-R171 IonicContact OE1-NE 3.3Å; E169-R171 PolarHBondContact OE1-NE 2.74Å; E169-R171 IonicContact OE1-NH2 2.7Å; E169-R171 PolarHBondContact OE1-NH2 2.81Å; R171-R176 WeakPolarHBondContact CA-O 3.49Å; R171-I177 HydrophobicContact CG-CG1 4.47Å
172	T	59.4	Low	58	Low	34 Å²	34	70.6 Å²	70.6	21%	0.209	38%	0.377	C	S	.	.			trans	-68.4	164	174	56.9	0	0	0	0	111.1	S174 G175 R176 Q178 W189	T172-S174 PolarHBondContact O-N 2.99Å; T172-S174 PolarHBondContact OG1-OG 2.87Å; T172-G175 PolarHBondContact O-N 3.44Å; T172-R176 PolarHBondContact N-O 2.97Å; T172-R176 PolarHBondContact OG1-N 2.9Å; T172-R176 VanDerWaalsContact OG1-N 3.12Å; T172-R176 PolarHBondContact OG1-O 2.99Å; T172-Q178 HydrophobicContact CG2-CB 4.33Å; T172-W189 HydrophobicContact CG2-CH2 3.85Å; T172-W189 HydrophobicContact CG2-CZ3 3.99Å
173	A	48	Very low	58.8	Low	122 Å²	122	69 Å²	69	100%	1.008	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.1	175.1	0	0	0	0	0	114
174	S	48.8	Very low	59.3	Low	93 Å²	93	69.6 Å²	69.6	65%	0.65	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	7	172.8	56	0	0	0	0	113.9	T172 R176	T172-S174 PolarHBondContact O-N 2.99Å; T172-S174 PolarHBondContact OG1-OG 2.87Å; S174-R176 VanDerWaalsContact C-N 3.32Å; S174-R176 PolarHBondContact O-N 2.86Å
175	G	42.4	Very low	59.2	Low	46 Å²	46	78.4 Å²	78.4	47%	0.474	40%	0.402	S	S	.	.	S	Bend	trans	82	-1.3	175.9	0	0	0	0	0	115.7	T172	T172-G175 PolarHBondContact O-N 3.44Å
176	R	44.8	Very low	58.9	Low	127 Å²	127	75.5 Å²	75.5	48%	0.479	39%	0.389	S	S	.	.			trans	-79.4	148.4	176.3	-72.5	-174.7	172.8	130.6	-5.8	112.2	R171 T172 S174	R171-R176 WeakPolarHBondContact CA-O 3.49Å; T172-R176 PolarHBondContact N-O 2.97Å; T172-R176 PolarHBondContact OG1-N 2.9Å; T172-R176 VanDerWaalsContact OG1-N 3.12Å; T172-R176 PolarHBondContact OG1-O 2.99Å; S174-R176 VanDerWaalsContact C-N 3.32Å; S174-R176 PolarHBondContact O-N 2.86Å
177	I	52	Low	59.2	Low	60 Å²	60	77.2 Å²	77.2	31%	0.308	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.6	177.4	-65.2	166.7	0	0	0	109.9	E169 R171 Y179	E169-I177 HydrophobicContact CG-CG1 4.45Å; E169-I177 HydrophobicContact CG-CG2 3.85Å; R171-I177 HydrophobicContact CG-CG1 4.47Å; I177-Y179 HydrophobicContact CG2-CD1 4.38Å; I177-Y179 HydrophobicContact CG2-CE1 3.66Å; I177-Y179 HydrophobicContact CG2-CE2 3.89Å; I177-Y179 WeakPolarHBondContact CG2-OH 3.39Å
178	Q	61.5	Low	59	Low	36 Å²	36	77.6 Å²	77.6	17%	0.168	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.8	173.7	-175.5	-175	35.8	0	0	107.5	R170 T172 T187 W189	R170-Q178 PolarHBondContact N-O 2.83Å; R170-Q178 PolarHBondContact O-N 3.3Å; T172-Q178 HydrophobicContact CG2-CB 4.33Å; Q178-T187 PolarHBondContact NE2-OG1 3.39Å; Q178-W189 HydrophobicContact CB-CE3 4.09Å; Q178-W189 HydrophobicContact CB-CH2 4.33Å; Q178-W189 HydrophobicContact CB-CZ3 3.79Å; Q178-W189 HydrophobicContact CG-CE3 4.22Å; Q178-W189 HydrophobicContact CG-CH2 4.29Å; Q178-W189 HydrophobicContact CG-CZ3 4.09Å
179	Y	71.3	Confident	58.6	Low	26 Å²	26	77.1 Å²	77.1	10%	0.102	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.6	-179.4	-58	-71	0	0	0	110.9	L163 E168 E169 I177 T187 Q188 E190 R191 P192	L163-Y179 HydrophobicContact CD1-CD1 3.68Å; L163-Y179 HydrophobicContact CD1-CE1 4.08Å; L163-Y179 HydrophobicContact CD2-CD1 3.63Å; L163-Y179 HydrophobicContact CD2-CE1 3.55Å; L163-Y179 HydrophobicContact CG-CD1 4.32Å; L163-Y179 HydrophobicContact CG-CE1 4.41Å; E168-Y179 CarbonylContact O-C 3.52Å; E168-Y179 WeakPolarHBondContact O-CA 3.37Å; E169-Y179 HydrophobicContact CB-CD1 4.33Å; E169-Y179 HydrophobicContact CB-CE1 4.14Å; I177-Y179 HydrophobicContact CG2-CD1 4.38Å; I177-Y179 HydrophobicContact CG2-CE1 3.66Å; I177-Y179 HydrophobicContact CG2-CE2 3.89Å; I177-Y179 WeakPolarHBondContact CG2-OH 3.39Å; Y179-T187 CarbonylContact O-C 3.52Å; Y179-T187 VanDerWaalsContact O-CA 3.28Å; Y179-T187 WeakPolarHBondContact O-CA 3.41Å; Y179-Q188 PolarHBondContact N-O 2.81Å; Y179-Q188 PolarHBondContact O-N 3.05Å; Y179-E190 WeakPolarHBondContact CD2-O 3.36Å; Y179-R191 HydrophobicContact CD2-CB 4.46Å; Y179-R191 HydrophobicContact CE1-CG 4.23Å; Y179-R191 HydrophobicContact CE2-CB 3.77Å; Y179-R191 HydrophobicContact CE2-CG 4.26Å; Y179-P192 VanDerWaalsContact CG-CD 3.49Å; Y179-P192 HydrophobicContact CG-CG 4.42Å
180	L	60.6	Low	57.6	Low	29 Å²	29	78.2 Å²	78.2	15%	0.152	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.1	-179.7	176.2	70.5	0	0	0	110	W167 E168 T187	W167-L180 CarbonylContact C-O 3.38Å; W167-L180 VanDerWaalsContact CA-O 3.28Å; W167-L180 WeakPolarHBondContact CA-O 3.46Å; W167-L180 VanDerWaalsContact CE3-C 3.48Å; E168-L180 HydrophobicContact CB-CB 4.45Å; E168-L180 PolarHBondContact N-O 3.03Å; E168-L180 PolarHBondContact O-N 2.91Å; E168-L180 WeakPolarHBondContact OE2-CD2 3.4Å; L180-T187 HydrophobicContact CB-CG2 4.39Å; L180-T187 HydrophobicContact CD1-CG2 3.53Å
181	N	72.8	Confident	57.3	Low	0 Å²	0	76.7 Å²	76.7	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	113.5	169.8	-174.1	-46.5	0	0	0	108.9	W167 I183 T184 R185 T186 A196	W167-N181 HydrophobicContact CD2-CB 4.21Å; W167-N181 HydrophobicContact CE3-CB 3.84Å; W167-N181 HydrophobicContact CH2-CB 3.68Å; W167-N181 HydrophobicContact CZ2-CB 4.07Å; W167-N181 WeakPolarHBondContact CZ2-ND2 3.42Å; W167-N181 HydrophobicContact CZ3-CB 3.56Å; N181-I183 VanDerWaalsContact C-N 3.25Å; N181-I183 PolarHBondContact O-N 2.97Å; N181-I183 WeakPolarHBondContact OD1-CA 3.39Å; N181-I183 WeakPolarHBondContact OD1-CB 3.4Å; N181-I183 PolarHBondContact OD1-N 3.35Å; N181-T184 WeakPolarHBondContact CB-OG1 3.39Å; N181-T184 PolarHBondContact ND2-OG1 2.74Å; N181-T184 PolarHBondContact OD1-N 2.84Å; N181-T184 PolarHBondContact OD1-OG1 2.98Å; N181-R185 WeakPolarHBondContact O-CA 3.4Å; N181-R185 PolarHBondContact O-N 3.38Å; N181-T186 PolarHBondContact N-O 3.38Å; N181-A196 PolarHBondContact ND2-O 3.15Å; N181-A196 WeakPolarHBondContact OD1-CB 3.46Å
182	H	59.4	Low	56.7	Low	102 Å²	102	69.6 Å²	69.6	47%	0.472	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.3	-179.8	-69.9	-63.7	0	0	0	114.4	G166 E168	G166-H182 WeakPolarHBondContact O-CB 3.48Å; G166-H182 PolarHBondContact O-CD2 3.46Å; G166-H182 PolarHBondContact O-N 2.94Å; E168-H182 WeakPolarHBondContact CB-NE2 3.21Å; E168-H182 IonicContact OE2-CE1 2.62Å; E168-H182 PolarHBondContact OE2-CE1 3.28Å; E168-H182 VanDerWaalsContact OE2-CE1 3.26Å; E168-H182 IonicContact OE2-NE2 3.26Å
183	I	63.2	Low	56.4	Low	90 Å²	90	73.8 Å²	73.8	46%	0.462	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-49.4	-174.6	-58.1	-176.2	0	0	0	110.5	N181 A196 S200	N181-I183 VanDerWaalsContact C-N 3.25Å; N181-I183 PolarHBondContact O-N 2.97Å; N181-I183 WeakPolarHBondContact OD1-CA 3.39Å; N181-I183 WeakPolarHBondContact OD1-CB 3.4Å; N181-I183 PolarHBondContact OD1-N 3.35Å; I183-A196 HydrophobicContact CB-CB 4.2Å; I183-A196 HydrophobicContact CD1-CB 3.8Å; I183-A196 HydrophobicContact CG1-CB 3.93Å; I183-S200 VanDerWaalsContact CG2-OG 3.31Å; I183-S200 WeakPolarHBondContact CG2-OG 3.22Å
184	T	58.7	Low	56.9	Low	46 Å²	46	74.7 Å²	74.7	28%	0.282	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-8.6	176.5	65.1	0	0	0	0	113.4	N181 T186	N181-T184 WeakPolarHBondContact CB-OG1 3.39Å; N181-T184 PolarHBondContact ND2-OG1 2.74Å; N181-T184 PolarHBondContact OD1-N 2.84Å; N181-T184 PolarHBondContact OD1-OG1 2.98Å; T184-T186 PolarHBondContact O-N 3.14Å; T184-T186 PolarHBondContact OG1-OG1 2.87Å
185	R	58.3	Low	57.6	Low	214 Å²	214	72.2 Å²	72.2	81%	0.808	35%	0.349	S	S	*	.			trans	59.4	15.8	-174.8	-58.5	-174.8	176.9	-179.7	0.4	115.1	N181	N181-R185 WeakPolarHBondContact O-CA 3.4Å; N181-R185 PolarHBondContact O-N 3.38Å
186	T	52	Low	58.4	Low	71 Å²	71	70 Å²	70	44%	0.436	33%	0.327	S	S	.	.			trans	-82.9	158.5	176.8	57.6	0	0	0	0	111.9	N181 T184	N181-T186 PolarHBondContact N-O 3.38Å; T184-T186 PolarHBondContact O-N 3.14Å; T184-T186 PolarHBondContact OG1-OG1 2.87Å
187	T	64.3	Low	58.8	Low	64 Å²	64	67 Å²	67	39%	0.393	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.7	171.2	62.3	0	0	0	0	111	Q178 Y179 L180	Q178-T187 PolarHBondContact NE2-OG1 3.39Å; Y179-T187 CarbonylContact O-C 3.52Å; Y179-T187 VanDerWaalsContact O-CA 3.28Å; Y179-T187 WeakPolarHBondContact O-CA 3.41Å; L180-T187 HydrophobicContact CB-CG2 4.39Å; L180-T187 HydrophobicContact CD1-CG2 3.53Å
188	Q	57.4	Low	58.9	Low	25 Å²	25	69.4 Å²	69.4	12%	0.117	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	161.6	175.9	66.5	-179.2	48.3	0	0	111.3	W167 Y179 E190	W167-Q188 VanDerWaalsContact CH2-CD 3.43Å; W167-Q188 HydrophobicContact CH2-CG 4Å; W167-Q188 HydrophobicContact CZ3-CG 3.72Å; Y179-Q188 PolarHBondContact N-O 2.81Å; Y179-Q188 PolarHBondContact O-N 3.05Å; Q188-E190 WeakPolarHBondContact CG-O 3.33Å; Q188-E190 PolarHBondContact NE2-O 3.18Å
189	W	58.6	Low	58.6	Low	69 Å²	69	71.2 Å²	71.2	26%	0.261	34%	0.341	S	S	.	.	S	Bend	trans	-97	-24.9	179.9	-59.7	101.1	0	0	0	113.1	T172 Q178	T172-W189 HydrophobicContact CG2-CH2 3.85Å; T172-W189 HydrophobicContact CG2-CZ3 3.99Å; Q178-W189 HydrophobicContact CB-CE3 4.09Å; Q178-W189 HydrophobicContact CB-CH2 4.33Å; Q178-W189 HydrophobicContact CB-CZ3 3.79Å; Q178-W189 HydrophobicContact CG-CE3 4.22Å; Q178-W189 HydrophobicContact CG-CH2 4.29Å; Q178-W189 HydrophobicContact CG-CZ3 4.09Å
190	E	47.5	Very low	57.3	Low	90 Å²	90	72.7 Å²	72.7	42%	0.421	36%	0.355	S	S	.	.	S	Bend	trans	-78.7	142.5	175.2	-61.5	-170.4	172.3	0	0	111.4	Y179 Q188 P192	Y179-E190 WeakPolarHBondContact CD2-O 3.36Å; Q188-E190 WeakPolarHBondContact CG-O 3.33Å; Q188-E190 PolarHBondContact NE2-O 3.18Å; E190-P192 WeakPolarHBondContact O-CD 3.34Å
191	R	58.8	Low	56.2	Low	112 Å²	112	75.4 Å²	75.4	42%	0.423	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-66.2	120.8	178.9	-171.1	176.6	176.7	-163.5	-3.9	109.9	D160 N161 D162 L163 Y179	D160-R191 PolarHBondContact O-NH1 3.22Å; D160-R191 PolarHBondContact O-NH2 3.38Å; N161-R191 PolarHBondContact O-NH2 3.15Å; D162-R191 PolarHBondContact O-NH2 3.29Å; L163-R191 HydrophobicContact CD2-CG 3.79Å; Y179-R191 HydrophobicContact CD2-CB 4.46Å; Y179-R191 HydrophobicContact CE1-CG 4.23Å; Y179-R191 HydrophobicContact CE2-CB 3.77Å; Y179-R191 HydrophobicContact CE2-CG 4.26Å
192	P	51.5	Low	54.6	Low	5 Å²	5	81.8 Å²	81.8	3%	0.032	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-61	139.3	179.8	25	-35.7	0	0	0	111.3	L163 P164 W167 Y179 E190	L163-P192 HydrophobicContact CD2-CG 3.93Å; P164-P192 WeakPolarHBondContact CD-O 3.43Å; P164-P192 HydrophobicContact CG-CB 4.39Å; P164-P192 WeakPolarHBondContact CG-O 3.21Å; W167-P192 HydrophobicContact CB-CG 3.89Å; W167-P192 HydrophobicContact CD2-CB 3.48Å; W167-P192 VanDerWaalsContact CD2-CB 3.48Å; W167-P192 HydrophobicContact CD2-CG 3.47Å; W167-P192 VanDerWaalsContact CD2-CG 3.47Å; W167-P192 HydrophobicContact CE3-CB 3.95Å; W167-P192 HydrophobicContact CE3-CG 3.73Å; W167-P192 HydrophobicContact CG-CB 3.81Å; W167-P192 HydrophobicContact CG-CG 3.55Å; W167-P192 HydrophobicContact CH2-CB 4.24Å; W167-P192 HydrophobicContact CZ2-CB 3.79Å; W167-P192 HydrophobicContact CZ3-CB 4.31Å; W167-P192 HydrophobicContact CZ3-CG 4.42Å; Y179-P192 VanDerWaalsContact CG-CD 3.49Å; Y179-P192 HydrophobicContact CG-CG 4.42Å; E190-P192 WeakPolarHBondContact O-CD 3.34Å
193	T	53	Low	53.2	Low	122 Å²	122	81.8 Å²	81.8	75%	0.748	43%	0.429	S	S	*	.			trans	-113.2	0.9	-177.5	54.7	0	0	0	0	113.6
194	R	57.6	Low	51.8	Low	141 Å²	141	80.9 Å²	80.9	53%	0.532	44%	0.442	S	S	.	.	S	Bend	trans	-141.8	154.5	179.4	-56.2	-168.3	-162.5	173.4	5.5	111.6	P164 W167 E198 Y199	P164-R194 VanDerWaalsContact CB-O 3.28Å; P164-R194 WeakPolarHBondContact CB-O 3.27Å; W167-R194 PolarHBondContact NE1-O 2.86Å; R194-E198 WeakPolarHBondContact CD-OE2 3.41Å; R194-E198 IonicContact NH1-OE2 2.81Å; R194-Y199 HydrophobicContact CB-CE2 4.15Å
195	P	63.7	Low	50.3	Low	41 Å²	41	89.3 Å²	89.3	27%	0.266	47%	0.469	S	S	.	.			trans	-53.9	145.3	176.8	-25.9	35.8	0	0	0	112.7	D165 S197 E198 Y199	D165-P195 HydrophobicContact CB-CB 4.47Å; P195-S197 PolarHBondContact O-N 2.85Å; P195-S197 VanDerWaalsContact O-N 3.12Å; P195-E198 PolarHBondContact O-N 2.81Å; P195-Y199 WeakPolarHBondContact O-CD2 3.31Å; P195-Y199 WeakPolarHBondContact O-CE2 3.15Å
196	A	58.9	Low	48.8	Very low	0 Å²	0	85.1 Å²	85.1	0%	0	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-59.9	-24.6	-177.4	0	0	0	0	0	114	D165 G166 W167 N181 I183 Y199	D165-A196 WeakPolarHBondContact O-CB 3.34Å; D165-A196 PolarHBondContact O-N 3.16Å; G166-A196 WeakPolarHBondContact O-CB 3.2Å; W167-A196 HydrophobicContact CG-CB 4.4Å; N181-A196 PolarHBondContact ND2-O 3.15Å; N181-A196 WeakPolarHBondContact OD1-CB 3.46Å; I183-A196 HydrophobicContact CB-CB 4.2Å; I183-A196 HydrophobicContact CD1-CB 3.8Å; I183-A196 HydrophobicContact CG1-CB 3.93Å; A196-Y199 PolarHBondContact O-N 3.03Å
197	S	54.6	Low	47.7	Very low	64 Å²	64	90.2 Å²	90.2	45%	0.448	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-74.4	-25	-176	49.5	0	0	0	0	114.2	P195 Y199 S200	P195-S197 PolarHBondContact O-N 2.85Å; P195-S197 VanDerWaalsContact O-N 3.12Å; S197-Y199 PolarHBondContact O-N 3.02Å; S197-S200 WeakPolarHBondContact O-CB 3.45Å; S197-S200 PolarHBondContact O-N 2.84Å; S197-S200 PolarHBondContact O-OG 3.49Å
198	E	54	Low	45.8	Very low	110 Å²	110	92 Å²	92	51%	0.514	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-69.7	-18.2	176.6	-68.6	-175.2	-169.7	0	0	112.5	R194 P195 S200	R194-E198 WeakPolarHBondContact CD-OE2 3.41Å; R194-E198 IonicContact NH1-OE2 2.81Å; P195-E198 PolarHBondContact O-N 2.81Å; E198-S200 VanDerWaalsContact C-N 3.29Å
199	Y	54.7	Low	44.3	Very low	75 Å²	75	96.1 Å²	96.1	29%	0.294	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-84.8	-0.9	178.3	-60.7	-93.4	0	0	0	113	W167 R194 P195 A196 S197	W167-Y199 HydrophobicContact CZ2-CD2 4.09Å; W167-Y199 AromaticContact CZ2-CE2 3.83Å; W167-Y199 HydrophobicContact CZ2-CE2 3.83Å; R194-Y199 HydrophobicContact CB-CE2 4.15Å; P195-Y199 WeakPolarHBondContact O-CD2 3.31Å; P195-Y199 WeakPolarHBondContact O-CE2 3.15Å; A196-Y199 PolarHBondContact O-N 3.03Å; S197-Y199 PolarHBondContact O-N 3.02Å
200	S	44.2	Very low	42.7	Very low	57 Å²	57	99.7 Å²	99.7	40%	0.399	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-95.5	-0.2	-171.9	-44.7	0	0	0	0	115	I183 S197 E198 P202	I183-S200 VanDerWaalsContact CG2-OG 3.31Å; I183-S200 WeakPolarHBondContact CG2-OG 3.22Å; S197-S200 WeakPolarHBondContact O-CB 3.45Å; S197-S200 PolarHBondContact O-N 2.84Å; S197-S200 PolarHBondContact O-OG 3.49Å; E198-S200 VanDerWaalsContact C-N 3.29Å; S200-P202 WeakPolarHBondContact O-CD 3.48Å
201	S	37.5	Very low	41.7	Very low	86 Å²	86	101 Å²	101	60%	0.601	58%	0.582	S	S	*	*			trans	-101.1	116.1	-170.2	-64.1	0	0	0	0	113.4	S203	S201-S203 VanDerWaalsContact C-N 3.27Å; S201-S203 PolarHBondContact O-N 2.82Å
202	P	37.8	Very low	40.1	Very low	134 Å²	134	103.1 Å²	103.1	87%	0.87	60%	0.601	S	S	*	*			trans	-78.4	-5.7	173.7	-13.3	30.1	0	0	0	114.2	S200 G204	S200-P202 WeakPolarHBondContact O-CD 3.48Å; P202-G204 PolarHBondContact O-N 3.43Å
203	S	31.5	Very low	38.7	Very low	102 Å²	102	111 Å²	111	71%	0.713	64%	0.637	S	S	*	*			trans	-78	80.2	-175.8	53.1	0	0	0	0	112	S201 R205	S201-S203 VanDerWaalsContact C-N 3.27Å; S201-S203 PolarHBondContact O-N 2.82Å; S203-R205 PolarHBondContact O-N 3.33Å; S203-R205 VanDerWaalsContact O-N 3.08Å
204	G	33.2	Very low	37.4	Very low	71 Å²	71	112.9 Å²	112.9	73%	0.732	64%	0.643	S	S	*	*			trans	-64.5	103	178	0	0	0	0	0	113.8	P202	P202-G204 PolarHBondContact O-N 3.43Å
205	R	27.4	Very low	35.9	Very low	222 Å²	222	111.6 Å²	111.6	84%	0.838	65%	0.651	S	S	*	*			trans	-145.7	111.8	147.9	-76.7	-163.7	178.6	-171.8	-0.8	110.6	S203 L207	S203-R205 PolarHBondContact O-N 3.33Å; S203-R205 VanDerWaalsContact O-N 3.08Å; R205-L207 PolarHBondContact O-N 2.73Å
206	P	27.6	Very low	34.1	Very low	126 Å²	126	115.8 Å²	115.8	82%	0.818	68%	0.678	S	S	*	*			trans	-65.5	124	154.5	-10.1	26	0	0	0	108.4	S208	P206-S208 PolarHBondContact O-N 2.65Å; P206-S208 VanDerWaalsContact O-N 3.16Å
207	L	27.4	Very low	32.4	Very low	178 Å²	178	120.6 Å²	120.6	93%	0.932	71%	0.708	S	S	*	*			trans	-77.5	95	173.1	-83.3	164.3	0	0	0	110.4	R205	R205-L207 PolarHBondContact O-N 2.73Å
208	S	25.6	Very low	30.9	Very low	103 Å²	103	126.7 Å²	126.7	72%	0.72	73%	0.731	S	S	*	*			trans	-160.4	77.5	162.1	62.5	0	0	0	0	113.9	P206	P206-S208 PolarHBondContact O-N 2.65Å; P206-S208 VanDerWaalsContact O-N 3.16Å
209	C	25.9	Very low	29.6	Very low	111 Å²	111	127.1 Å²	127.1	75%	0.75	74%	0.741	S	S	*	*				175.2	117.6	129.6	49.6	0	0	0	0	110.4	V211	C209-V211 HydrophobicContact CB-CG2 4.15Å
210	V	25.1	Very low	28.5	Very low	144 Å²	144	129.2 Å²	129.2	87%	0.873	77%	0.765	S	S	*	*			trans	-85.4	118.6	151.9	176	0	0	0	0	104.8
211	V	26.1	Very low	27.6	Very low	117 Å²	117	133.4 Å²	133.4	71%	0.709	79%	0.787	S	S	*	*			trans	-98.2	108.4	176.1	-170.6	0	0	0	0	106.9	C209	C209-V211 HydrophobicContact CB-CG2 4.15Å
212	D	24.6	Very low	27	Very low	157 Å²	157	137.3 Å²	137.3	84%	0.84	80%	0.801	S	S	*	*			trans	-75	125	165.3	-108.7	-30.4	0	0	0	108.4
213	E	23.1	Very low	26.4	Very low	169 Å²	169	134.6 Å²	134.6	79%	0.79	80%	0.798	S	S	*	*			trans	-85.7	115.4	-177.2	-175.4	-177.5	156.7	0	0	109.7
214	N	24.6	Very low	26	Very low	162 Å²	162	134.2 Å²	134.2	87%	0.866	80%	0.801	S	S	*	*			trans	-169	108.8	154.8	-96.3	-44.3	0	0	0	112.8
215	T	25.8	Very low	25.6	Very low	114 Å²	114	137.6 Å²	137.6	70%	0.699	81%	0.807	S	S	*	*			trans	-69.8	158.1	165	-5	0	0	0	0	110.7	V217	T215-V217 HydrophobicContact CG2-CG2 4.24Å
216	P	26.4	Very low	25.5	Very low	129 Å²	129	131.4 Å²	131.4	84%	0.838	80%	0.804	S	S	*	*				-141.9	154.3	71.9	34.7	-15.4	0	0	0	118
217	V	23.5	Very low	25.3	Very low	102 Å²	102	131.1 Å²	131.1	62%	0.618	80%	0.804	S	S	*	*			trans	-58.8	145.4	172.2	176	0	0	0	0	113.4	T215 T219	T215-V217 HydrophobicContact CG2-CG2 4.24Å; V217-T219 HydrophobicContact CG1-CG2 4.2Å
218	M	22.8	Very low	25.1	Very low	191 Å²	191	125.9 Å²	125.9	94%	0.941	79%	0.794	S	S	*	*			trans	-130	132.1	142.4	-70.2	-156	90.5	0	0	110.8
219	T	26.6	Very low	25.9	Very low	119 Å²	119	127 Å²	127	73%	0.73	80%	0.798	S	S	*	*			trans	-97.7	164.6	177.8	25.5	0	0	0	0	111.8	V217	V217-T219 HydrophobicContact CG1-CG2 4.2Å
220	P	30.8	Very low	26.5	Very low	120 Å²	120	127.5 Å²	127.5	78%	0.779	80%	0.8	S	S	*	*			trans	-89.5	167.1	-159.9	35.9	-37.7	0	0	0	115
221	V	25.6	Very low	26.5	Very low	144 Å²	144	124.1 Å²	124.1	87%	0.873	80%	0.795	S	S	*	*			trans	-116.5	137.1	171.7	177.3	0	0	0	0	110.5
222	N	26.1	Very low	26.5	Very low	168 Å²	168	126.5 Å²	126.5	90%	0.898	80%	0.798	S	S	*	*			trans	-88.7	159.8	-176.6	-79.5	-39.7	0	0	0	114.3
223	G	23.9	Very low	26.4	Very low	78 Å²	78	126.7 Å²	126.7	80%	0.804	79%	0.794	S	S	*	*			trans	134.5	149	157.7	0	0	0	0	0	114.2
224	A	24.8	Very low	26.5	Very low	93 Å²	93	129.5 Å²	129.5	77%	0.769	80%	0.797	S	S	*	*			cis	-164.1	137.4	-7.9	0	0	0	0	0	112.3
225	V	24.7	Very low	26.6	Very low	142 Å²	142	130 Å²	130	86%	0.861	80%	0.798	S	S	*	*			trans	23.9	143.5	143.3	-144.2	0	0	0	0	124
226	A	24.9	Very low	26.6	Very low	93 Å²	93	132.6 Å²	132.6	77%	0.769	80%	0.802	S	S	*	*			trans	75.9	140.8	152.9	0	0	0	0	0	118.3
227	S	24.1	Very low	26.5	Very low	119 Å²	119	135.9 Å²	135.9	83%	0.832	81%	0.807	S	S	*	*			cis	-170.5	160.1	38.2	47.2	0	0	0	0	113.1
228	G	22.9	Very low	26.5	Very low	69 Å²	69	140.6 Å²	140.6	71%	0.711	81%	0.813	S	S	*	*			trans	-110.3	-155.1	157.5	0	0	0	0	0	110.8
229	P	42.3	Very low	26.6	Very low	126 Å²	126	141.4 Å²	141.4	82%	0.818	81%	0.806	S	S	*	*			cis	-122.1	-129.5	-5.7	33.9	-9.8	0	0	0	109.2
230	P	38.5	Very low	26.5	Very low	121 Å²	121	142.5 Å²	142.5	79%	0.786	81%	0.812	S	S	*	*			cis	-135.1	177	-27	39.3	-20.8	0	0	0	117
231	G	24.6	Very low	26.3	Very low	74 Å²	74	147.2 Å²	147.2	76%	0.763	81%	0.814	S	S	*	*			trans	90.6	146.2	154.1	0	0	0	0	0	118
232	E	25.3	Very low	26.3	Very low	166 Å²	166	145.8 Å²	145.8	78%	0.776	81%	0.811	S	S	*	*			cis	-156.9	150.7	-2	-85.1	-156.7	111	0	0	114.4
233	Q	23	Very low	26.3	Very low	161 Å²	161	144 Å²	144	75%	0.752	80%	0.797	S	S	*	*			trans	41.7	98.5	139.8	-51.7	-167.2	49.7	0	0	125
234	R	25	Very low	26.4	Very low	228 Å²	228	151.9 Å²	151.9	86%	0.86	80%	0.802	S	S	*	*				26.5	120.4	113.1	-167.5	-166.5	-151.6	-168.9	8.4	121.2
235	I	27	Very low	26.8	Very low	173 Å²	173	157 Å²	157	89%	0.887	81%	0.81	S	S	*	*			trans	-146	156.5	135.8	-73.2	-159.6	0	0	0	110.1
236	Q	25.3	Very low	26.9	Very low	168 Å²	168	159.7 Å²	159.7	79%	0.785	81%	0.805	S	S	*	*			trans	-137.7	134.8	-168.7	173	-175.9	41.8	0	0	110.3
237	E	24.3	Very low	27.1	Very low	198 Å²	198	162.1 Å²	162.1	93%	0.925	81%	0.805	S	S	*	*			trans	-149.3	164.8	167.8	-124.5	173.3	-144.1	0	0	113.8
238	R	23.9	Very low	27.4	Very low	201 Å²	201	167 Å²	167	76%	0.758	81%	0.807	S	S	*	*			trans	-149.2	144.1	-143.4	-159.9	-173.7	-170	-159.1	7.7	115
239	R	24.3	Very low	27.6	Very low	209 Å²	209	170.8 Å²	170.8	79%	0.789	81%	0.807	S	S	*	*			trans	69.1	156.5	165.4	-84.1	171.8	175.5	179.3	-1.6	115.9
240	V	25.2	Very low	26.9	Very low	141 Å²	141	169.7 Å²	169.7	86%	0.855	80%	0.802	S	S	*	*			cis	-141.6	163.8	38.3	171.6	0	0	0	0	114
241	R	25.8	Very low	26.5	Very low	219 Å²	219	176 Å²	176	83%	0.826	81%	0.811	S	S	*	*			trans	-84.3	158	-177.9	-88.3	175.1	163	168.6	-4.7	116.2
242	S	25.7	Very low	26.7	Very low	114 Å²	114	177.6 Å²	177.6	80%	0.797	81%	0.806	S	S	*	*			trans	-159.4	112.7	135.8	-177.4	0	0	0	0	108.9
243	Q	27.3	Very low	26.8	Very low	130 Å²	130	176.9 Å²	176.9	61%	0.607	80%	0.802	S	S	*	*				63.9	73.8	66.9	-77	-159.7	-0.6	0	0	117.3
244	R	26.6	Very low	27.2	Very low	244 Å²	244	176.9 Å²	176.9	92%	0.921	81%	0.806	S	S	*	*			trans	-158.6	24.4	150.3	-121.8	175.8	-164.8	-156.4	3.8	119.9
245	H	32.1	Very low	27.5	Very low	200 Å²	200	174.1 Å²	174.1	93%	0.926	80%	0.803	S	S	*	*			trans	-122.9	51.1	174.8	-122.5	-128.2	0	0	0	112.8
246	R	27.6	Very low	27.8	Very low	200 Å²	200	171 Å²	171	76%	0.755	79%	0.792	S	S	*	*			trans	-91.9	-11.2	-165.2	-162.6	170.6	-174.1	171.4	-0.4	115.7
247	N	28.8	Very low	28.6	Very low	143 Å²	143	166.2 Å²	166.2	77%	0.765	78%	0.775	S	S	*	*	S	Bend	trans	-118.5	23.3	-159.2	-67.4	11.9	0	0	0	116
248	Y	29.3	Very low	30	Very low	223 Å²	223	159.6 Å²	159.6	88%	0.875	75%	0.75	S	S	*	*	S	Bend	trans	-124.1	1.3	175.3	-148.9	-99.7	0	0	0	115.2
249	M	28	Very low	31.4	Very low	147 Å²	147	157.1 Å²	157.1	72%	0.724	75%	0.751	S	S	*	*			trans	-104.8	11.2	-178.8	-73.9	-167.5	140.8	0	0	114.9	R251	M249-R251 PolarHBondContact O-N 2.87Å
250	S	28.3	Very low	33.4	Very low	103 Å²	103	149.3 Å²	149.3	72%	0.72	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	42.2	-174.8	-50.9	0	0	0	0	114.7
251	R	29.8	Very low	35.6	Very low	253 Å²	253	145.1 Å²	145.1	96%	0.955	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.5	-2.2	173.9	-104.6	-174.6	179.2	-172.3	0.3	116.2	M249	M249-R251 PolarHBondContact O-N 2.87Å
252	T	28.1	Very low	37.2	Very low	108 Å²	108	143.8 Å²	143.8	66%	0.663	70%	0.704	S	S	*	*			trans	-108.5	-1.2	178.5	34.5	0	0	0	0	114.7	L254	T252-L254 PolarHBondContact O-N 2.87Å
253	H	27.6	Very low	39	Very low	152 Å²	152	139.2 Å²	139.2	70%	0.704	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	57.1	-179	-77.5	-83.2	0	0	0	113.9
254	L	31.1	Very low	41.2	Very low	160 Å²	160	136.7 Å²	136.7	84%	0.838	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.1	-0.5	169.3	-112.4	138.2	0	0	0	114.3	T252	T252-L254 PolarHBondContact O-N 2.87Å
255	H	32.2	Very low	43.5	Very low	171 Å²	171	128.7 Å²	128.7	79%	0.792	63%	0.633	S	S	*	*			trans	-131.5	86.9	165.9	-75.4	-65.9	0	0	0	110.5
256	T	33.3	Very low	45.7	Very low	107 Å²	107	123.2 Å²	123.2	66%	0.656	61%	0.608	S	S	*	*			trans	-140.3	113.5	157.7	-43.7	0	0	0	0	105.6
257	P	41.3	Very low	47.9	Very low	67 Å²	67	118.3 Å²	118.3	44%	0.435	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-61.4	148.7	176.6	27.6	-33.7	0	0	0	108.9	D259	P257-D259 PolarHBondContact O-N 2.88Å
258	P	52.7	Low	49.9	Very low	59 Å²	59	115 Å²	115	38%	0.383	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-58.5	141.3	179.6	23	-30	0	0	0	110.5	R290 S338	P258-R290 WeakPolarHBondContact O-CD 3.33Å; P258-R290 PolarHBondContact O-NH1 3Å; P258-S338 WeakPolarHBondContact CD-O 3.49Å
259	D	53.9	Low	51.9	Low	149 Å²	149	106.1 Å²	106.1	80%	0.797	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-56.1	151.6	175	-70	-46.3	0	0	0	110.6	P257	P257-D259 PolarHBondContact O-N 2.88Å
260	L	66.9	Low	53.3	Low	45 Å²	45	109.2 Å²	109.2	24%	0.236	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-64.2	144	177.5	-77.8	157.1	0	0	0	110.5	Q266 F276 P289 R290	L260-Q266 HydrophobicContact CD1-CB 3.72Å; L260-F276 HydrophobicContact CD1-CD1 4.36Å; L260-F276 HydrophobicContact CD1-CE1 4.46Å; L260-F276 HydrophobicContact CD2-CD1 3.66Å; L260-F276 HydrophobicContact CD2-CE1 3.77Å; L260-P289 HydrophobicContact CD2-CG 3.89Å; L260-R290 HydrophobicContact CD2-CG 4.28Å
261	P	70.3	Confident	54.2	Low	54 Å²	54	109 Å²	109	35%	0.351	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-55.8	143.7	177.4	-23.8	34	0	0	0	111.5	G263 Y264 P289 R290	P261-G263 PolarHBondContact O-N 3.46Å; P261-Y264 HydrophobicContact CB-CD2 4.21Å; P261-Y264 PolarHBondContact O-N 2.85Å; P261-P289 HydrophobicContact CG-CB 4.3Å; P261-P289 HydrophobicContact CG-CG 4.38Å; P261-R290 HydrophobicContact CG-CG 4.41Å
262	E	59.8	Low	55.6	Low	191 Å²	191	97.6 Å²	97.6	89%	0.893	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	125.3	-177.4	-70.6	-166.5	145	0	0	111.3
263	G	64.4	Low	57.4	Low	17 Å²	17	93.3 Å²	93.3	18%	0.175	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.9	-20.8	-175.6	0	0	0	0	0	114.9	P261 H278 T279	P261-G263 PolarHBondContact O-N 3.46Å; G263-H278 CarbonylContact O-C 3.55Å; G263-H278 WeakPolarHBondContact O-CA 3.41Å; G263-T279 WeakPolarHBondContact O-CB 3.42Å; G263-T279 PolarHBondContact O-N 3.44Å; G263-T279 PolarHBondContact O-OG1 3.47Å
264	Y	72.1	Confident	59.6	Low	77 Å²	77	86.2 Å²	86.2	30%	0.302	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	132.1	178.3	-77	-87.8	0	0	0	113.7	P261 F276 L277 H278 T285 P289	P261-Y264 HydrophobicContact CB-CD2 4.21Å; P261-Y264 PolarHBondContact O-N 2.85Å; Y264-F276 HydrophobicContact CD1-CB 4.2Å; Y264-L277 WeakPolarHBondContact CA-O 3.21Å; Y264-H278 HydrophobicContact CD1-CB 4.1Å; Y264-H278 AromaticContact CD2-CD2 3.62Å; Y264-H278 HydrophobicContact CE1-CB 3.73Å; Y264-H278 HydrophobicContact CE2-CB 4.49Å; Y264-H278 AromaticContact CE2-CD2 3.44Å; Y264-H278 VanDerWaalsContact CE2-CD2 3.44Å; Y264-H278 WeakPolarHBondContact CE2-CD2 3.26Å; Y264-H278 AromaticContact CZ-CD2 3.76Å; Y264-T285 HydrophobicContact CE1-CG2 4.25Å; Y264-P289 HydrophobicContact CD1-CB 4.16Å; Y264-P289 HydrophobicContact CD1-CG 3.79Å; Y264-P289 HydrophobicContact CD2-CB 4.14Å; Y264-P289 HydrophobicContact CD2-CG 4.14Å; Y264-P289 HydrophobicContact CE1-CB 4.15Å; Y264-P289 HydrophobicContact CE1-CG 4.26Å; Y264-P289 HydrophobicContact CE2-CB 4.13Å; Y264-P289 HydrophobicContact CG-CB 4.15Å; Y264-P289 HydrophobicContact CG-CG 3.72Å
265	E	75.4	Confident	61.7	Low	76 Å²	76	81 Å²	81	36%	0.355	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125	174.8	-168.3	-167.1	143.4	0	0	109.8	R267 F276 L277 T279	E265-R267 HydrophobicContact CG-CG 4.33Å; E265-R267 IonicContact OE1-CZ 2.77Å; E265-R267 IonicContact OE1-NE 3.12Å; E265-R267 PolarHBondContact OE1-NE 3.27Å; E265-R267 IonicContact OE1-NH2 3.74Å; E265-R267 PolarHBondContact OE1-NH2 3.48Å; E265-R267 IonicContact OE2-CZ 2.72Å; E265-R267 IonicContact OE2-NE 3.48Å; E265-R267 PolarHBondContact OE2-NE 2.99Å; E265-R267 IonicContact OE2-NH2 3.33Å; E265-R267 PolarHBondContact OE2-NH2 3.06Å; E265-F276 CarbonylContact O-C 3.4Å; E265-F276 WeakPolarHBondContact O-CA 3.33Å; E265-L277 PolarHBondContact N-O 2.8Å; E265-L277 PolarHBondContact O-N 2.84Å; E265-T279 HydrophobicContact CB-CG2 3.92Å
266	Q	78.7	Confident	63.9	Low	86 Å²	86	73 Å²	73	40%	0.402	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	127.4	171.3	-178.8	-179.9	-33.8	0	0	109.7	L260 V274 F276	L260-Q266 HydrophobicContact CD1-CB 3.72Å; Q266-V274 HydrophobicContact CG-CG1 3.56Å; Q266-F276 HydrophobicContact CB-CD1 3.8Å; Q266-F276 HydrophobicContact CB-CE1 3.75Å; Q266-F276 HydrophobicContact CG-CD1 4.12Å; Q266-F276 HydrophobicContact CG-CE1 3.72Å; Q266-F276 HydrophobicContact CG-CZ 4.31Å
267	R	73.3	Confident	65.8	Low	97 Å²	97	69.2 Å²	69.2	37%	0.366	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	158.6	177.5	-69.6	-172.1	176.4	176.7	7.7	110.8	E265 V274 Y275	E265-R267 HydrophobicContact CG-CG 4.33Å; E265-R267 IonicContact OE1-CZ 2.77Å; E265-R267 IonicContact OE1-NE 3.12Å; E265-R267 PolarHBondContact OE1-NE 3.27Å; E265-R267 IonicContact OE1-NH2 3.74Å; E265-R267 PolarHBondContact OE1-NH2 3.48Å; E265-R267 IonicContact OE2-CZ 2.72Å; E265-R267 IonicContact OE2-NE 3.48Å; E265-R267 PolarHBondContact OE2-NE 2.99Å; E265-R267 IonicContact OE2-NH2 3.33Å; E265-R267 PolarHBondContact OE2-NH2 3.06Å; R267-V274 WeakPolarHBondContact O-CA 3.4Å; R267-Y275 HydrophobicContact CB-CD1 4.19Å; R267-Y275 HydrophobicContact CB-CE1 3.58Å; R267-Y275 HydrophobicContact CB-CE2 4.01Å; R267-Y275 VanDerWaalsContact CB-CZ 3.48Å; R267-Y275 WeakPolarHBondContact CD-OH 3.47Å; R267-Y275 PolarHBondContact N-O 3.27Å; R267-Y275 WeakPolarHBondContact O-CD1 3.22Å; R267-Y275 PolarHBondContact O-N 2.87Å
268	T	71.1	Confident	67.5	Low	73 Å²	73	67.2 Å²	67.2	45%	0.448	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.8	176.5	-50	0	0	0	0	108.8	Q273 T329	T268-Q273 CarbonylContact C-O 3.6Å; T268-Q273 WeakPolarHBondContact CA-O 3.43Å; T268-T329 HydrophobicContact CG2-CG2 3.73Å
269	T	70.6	Confident	68.4	Low	37 Å²	37	68.1 Å²	68.1	23%	0.227	34%	0.342	C	S	.	.			trans	-68.6	163.1	172.9	70	0	0	0	0	110.7	Q271 G272 Q273 Y275 W286	T269-Q271 PolarHBondContact O-N 2.98Å; T269-Q271 PolarHBondContact OG1-N 3.46Å; T269-G272 PolarHBondContact O-N 3.14Å; T269-G272 PolarHBondContact OG1-N 3.09Å; T269-Q273 HydrophobicContact CG2-CB 4.17Å; T269-Q273 PolarHBondContact N-O 3.24Å; T269-Q273 PolarHBondContact OG1-N 3.11Å; T269-Q273 VanDerWaalsContact OG1-N 3.1Å; T269-Q273 PolarHBondContact OG1-OE1 3.39Å; T269-Y275 HydrophobicContact CG2-CD1 3.86Å; T269-Y275 HydrophobicContact CG2-CE1 3.95Å; T269-W286 HydrophobicContact CG2-CH2 3.94Å; T269-W286 HydrophobicContact CG2-CZ3 4.3Å
270	Q	57.7	Low	69.2	Low	211 Å²	211	68.1 Å²	68.1	99%	0.986	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-12.8	169.4	-62.9	-178.7	7.9	0	0	113.2
271	Q	47.3	Very low	69.5	Low	100 Å²	100	70.3 Å²	70.3	47%	0.467	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	6.4	178.9	-52.5	-168.2	14	0	0	113.2	T269 K390	T269-Q271 PolarHBondContact O-N 2.98Å; T269-Q271 PolarHBondContact OG1-N 3.46Å; Q271-K390 HydrophobicContact CB-CD 4.04Å; Q271-K390 HydrophobicContact CB-CG 4.04Å; Q271-K390 HydrophobicContact CG-CD 4.41Å
272	G	60	Low	69.2	Low	12 Å²	12	70.3 Å²	70.3	12%	0.124	36%	0.362	C	S	.	.	S	Bend	trans	84.7	5.1	177.9	0	0	0	0	0	115.2	T269 T329 T330	T269-G272 PolarHBondContact O-N 3.14Å; T269-G272 PolarHBondContact OG1-N 3.09Å; G272-T329 CarbonylContact O-C 3.58Å; G272-T329 WeakPolarHBondContact O-CA 3.41Å; G272-T329 WeakPolarHBondContact O-CB 3.49Å; G272-T329 WeakPolarHBondContact O-CG2 3.38Å; G272-T330 PolarHBondContact O-N 3.11Å
273	Q	65.3	Low	69.6	Low	19 Å²	19	65.5 Å²	65.5	9%	0.089	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-84.3	131.4	-178.2	-53.6	143.4	-52	0	0	109.9	T268 T269 W286 V388	T268-Q273 CarbonylContact C-O 3.6Å; T268-Q273 WeakPolarHBondContact CA-O 3.43Å; T269-Q273 HydrophobicContact CG2-CB 4.17Å; T269-Q273 PolarHBondContact N-O 3.24Å; T269-Q273 PolarHBondContact OG1-N 3.11Å; T269-Q273 VanDerWaalsContact OG1-N 3.1Å; T269-Q273 PolarHBondContact OG1-OE1 3.39Å; Q273-W286 HydrophobicContact CB-CH2 4.02Å; Q273-W286 HydrophobicContact CB-CZ3 3.51Å; Q273-V388 HydrophobicContact CB-CB 4.37Å; Q273-V388 HydrophobicContact CG-CB 4.37Å; Q273-V388 WeakPolarHBondContact CG-O 3.26Å; Q273-V388 PolarHBondContact NE2-O 2.62Å
274	V	73.7	Confident	69.9	Low	2 Å²	2	68.2 Å²	68.2	1%	0.012	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131	177.4	-174.2	0	0	0	0	110.1	Q266 R267 F276 W286 T329 T330 Q331	Q266-V274 HydrophobicContact CG-CG1 3.56Å; R267-V274 WeakPolarHBondContact O-CA 3.4Å; V274-F276 HydrophobicContact CG1-CE2 4.4Å; V274-F276 HydrophobicContact CG1-CZ 4.25Å; V274-W286 VanDerWaalsContact O-CE3 3.32Å; V274-T329 HydrophobicContact CG2-CG2 4.31Å; V274-T330 PolarHBondContact N-O 2.9Å; V274-Q331 HydrophobicContact CB-CB 4.07Å; V274-Q331 HydrophobicContact CG2-CB 4.36Å
275	Y	76.3	Confident	69.8	Low	50 Å²	50	66.1 Å²	66.1	20%	0.196	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	160	171.1	72.2	-81.1	0	0	0	110.6	R267 T269 L277 T285	R267-Y275 HydrophobicContact CB-CD1 4.19Å; R267-Y275 HydrophobicContact CB-CE1 3.58Å; R267-Y275 HydrophobicContact CB-CE2 4.01Å; R267-Y275 VanDerWaalsContact CB-CZ 3.48Å; R267-Y275 WeakPolarHBondContact CD-OH 3.47Å; R267-Y275 PolarHBondContact N-O 3.27Å; R267-Y275 WeakPolarHBondContact O-CD1 3.22Å; R267-Y275 PolarHBondContact O-N 2.87Å; T269-Y275 HydrophobicContact CG2-CD1 3.86Å; T269-Y275 HydrophobicContact CG2-CE1 3.95Å; Y275-L277 HydrophobicContact CE2-CB 4.15Å; Y275-T285 WeakPolarHBondContact CA-O 3.27Å
276	F	78.1	Confident	69.5	Low	4 Å²	4	65.2 Å²	65.2	2%	0.018	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125	178.5	-54.3	-91.7	0	0	0	108.9	L260 Y264 E265 Q266 V274 S284 T285 H287 D288 P289	L260-F276 HydrophobicContact CD1-CD1 4.36Å; L260-F276 HydrophobicContact CD1-CE1 4.46Å; L260-F276 HydrophobicContact CD2-CD1 3.66Å; L260-F276 HydrophobicContact CD2-CE1 3.77Å; Y264-F276 HydrophobicContact CD1-CB 4.2Å; E265-F276 CarbonylContact O-C 3.4Å; E265-F276 WeakPolarHBondContact O-CA 3.33Å; Q266-F276 HydrophobicContact CB-CD1 3.8Å; Q266-F276 HydrophobicContact CB-CE1 3.75Å; Q266-F276 HydrophobicContact CG-CD1 4.12Å; Q266-F276 HydrophobicContact CG-CE1 3.72Å; Q266-F276 HydrophobicContact CG-CZ 4.31Å; V274-F276 HydrophobicContact CG1-CE2 4.4Å; V274-F276 HydrophobicContact CG1-CZ 4.25Å; F276-S284 CarbonylContact O-C 3.54Å; F276-S284 WeakPolarHBondContact O-CA 3.25Å; F276-T285 HydrophobicContact CB-CG2 4Å; F276-T285 PolarHBondContact N-O 2.81Å; F276-T285 PolarHBondContact O-N 2.88Å; F276-H287 WeakPolarHBondContact CD2-O 3.23Å; F276-D288 HydrophobicContact CE1-CB 4.46Å; F276-D288 HydrophobicContact CE2-CB 3.78Å; F276-D288 HydrophobicContact CZ-CB 3.73Å; F276-P289 HydrophobicContact CB-CG 4.5Å
277	L	72.6	Confident	69	Low	27 Å²	27	65 Å²	65	14%	0.141	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.2	179.4	179.3	66.1	0	0	0	109.7	Y264 E265 Y275 T279 G282	Y264-L277 WeakPolarHBondContact CA-O 3.21Å; E265-L277 PolarHBondContact N-O 2.8Å; E265-L277 PolarHBondContact O-N 2.84Å; Y275-L277 HydrophobicContact CE2-CB 4.15Å; L277-T279 PolarHBondContact O-N 3.08Å; L277-G282 WeakPolarHBondContact CD1-O 3.43Å
278	H	77.1	Confident	69	Low	26 Å²	26	60.7 Å²	60.7	12%	0.12	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	101.8	168.9	-168.8	-114.8	0	0	0	109.8	G263 Y264 Q280 T281 G282 V283	G263-H278 CarbonylContact O-C 3.55Å; G263-H278 WeakPolarHBondContact O-CA 3.41Å; Y264-H278 HydrophobicContact CD1-CB 4.1Å; Y264-H278 AromaticContact CD2-CD2 3.62Å; Y264-H278 HydrophobicContact CE1-CB 3.73Å; Y264-H278 HydrophobicContact CE2-CB 4.49Å; Y264-H278 AromaticContact CE2-CD2 3.44Å; Y264-H278 VanDerWaalsContact CE2-CD2 3.44Å; Y264-H278 WeakPolarHBondContact CE2-CD2 3.26Å; Y264-H278 AromaticContact CZ-CD2 3.76Å; H278-Q280 PolarHBondContact O-N 2.96Å; H278-Q280 VanDerWaalsContact O-N 3.15Å; H278-T281 WeakPolarHBondContact ND1-CG2 3.33Å; H278-T281 PolarHBondContact ND1-N 3.4Å; H278-T281 PolarHBondContact ND1-OG1 3.42Å; H278-T281 PolarHBondContact O-N 3.27Å; H278-G282 WeakPolarHBondContact O-CA 3.34Å; H278-G282 PolarHBondContact O-N 3.32Å; H278-V283 PolarHBondContact N-O 3.09Å
279	T	70.9	Confident	68.8	Low	78 Å²	78	59.2 Å²	59.2	48%	0.479	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.2	-172.1	56.6	0	0	0	0	114.4	G263 E265 L277	G263-T279 WeakPolarHBondContact O-CB 3.42Å; G263-T279 PolarHBondContact O-N 3.44Å; G263-T279 PolarHBondContact O-OG1 3.47Å; E265-T279 HydrophobicContact CB-CG2 3.92Å; L277-T279 PolarHBondContact O-N 3.08Å
280	Q	71.3	Confident	68.6	Low	148 Å²	148	59.2 Å²	59.2	69%	0.692	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-25.5	-179.6	-55.4	174.1	13.3	0	0	113.6	H278	H278-Q280 PolarHBondContact O-N 2.96Å; H278-Q280 VanDerWaalsContact O-N 3.15Å
281	T	72.7	Confident	68.8	Low	91 Å²	91	49.9 Å²	49.9	56%	0.558	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-7.6	-178.8	61.7	0	0	0	0	113.8	H278 V283	H278-T281 WeakPolarHBondContact ND1-CG2 3.33Å; H278-T281 PolarHBondContact ND1-N 3.4Å; H278-T281 PolarHBondContact ND1-OG1 3.42Å; H278-T281 PolarHBondContact O-N 3.27Å; T281-V283 PolarHBondContact O-N 3.43Å
282	G	64.9	Low	69.3	Low	54 Å²	54	47.6 Å²	47.6	56%	0.557	27%	0.272	S	S	*	.			trans	72	0.8	-175.7	0	0	0	0	0	114.9	L277 H278	L277-G282 WeakPolarHBondContact CD1-O 3.43Å; H278-G282 WeakPolarHBondContact O-CA 3.34Å; H278-G282 PolarHBondContact O-N 3.32Å
283	V	67.4	Low	69	Low	90 Å²	90	56.6 Å²	56.6	55%	0.545	30%	0.302	S	S	.	.			trans	-77.8	127.7	-176.3	178.7	0	0	0	0	110.6	H278 T281	H278-V283 PolarHBondContact N-O 3.09Å; T281-V283 PolarHBondContact O-N 3.43Å
284	S	70.7	Confident	68.4	Low	75 Å²	75	62.9 Å²	62.9	52%	0.524	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	150.5	173.5	55	0	0	0	0	112.5	F276	F276-S284 CarbonylContact O-C 3.54Å; F276-S284 WeakPolarHBondContact O-CA 3.25Å
285	T	70.4	Confident	67.4	Low	32 Å²	32	64.4 Å²	64.4	20%	0.196	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	144.2	175.3	173	0	0	0	0	111.1	Y264 Y275 F276 H287	Y264-T285 HydrophobicContact CE1-CG2 4.25Å; Y275-T285 WeakPolarHBondContact CA-O 3.27Å; F276-T285 HydrophobicContact CB-CG2 4Å; F276-T285 PolarHBondContact N-O 2.81Å; F276-T285 PolarHBondContact O-N 2.88Å; T285-H287 VanDerWaalsContact C-N 3.33Å; T285-H287 WeakPolarHBondContact CG2-O 3.4Å; T285-H287 PolarHBondContact OG1-N 2.96Å; T285-H287 PolarHBondContact OG1-O 3.15Å
286	W	69.9	Low	66.1	Low	58 Å²	58	64.6 Å²	64.6	22%	0.22	35%	0.353	C	S	.	.	S	Bend	trans	-85.2	-5.3	174.9	-60.1	107.1	0	0	0	114	T269 Q273 V274 F332 L386 T387 V388	T269-W286 HydrophobicContact CG2-CH2 3.94Å; T269-W286 HydrophobicContact CG2-CZ3 4.3Å; Q273-W286 HydrophobicContact CB-CH2 4.02Å; Q273-W286 HydrophobicContact CB-CZ3 3.51Å; V274-W286 VanDerWaalsContact O-CE3 3.32Å; W286-F332 HydrophobicContact CB-CD2 3.97Å; W286-F332 HydrophobicContact CB-CE2 4.46Å; W286-L386 PolarHBondContact NE1-O 3.41Å; W286-T387 HydrophobicContact CZ2-CG2 4.16Å; W286-V388 HydrophobicContact CB-CG2 4.38Å; W286-V388 HydrophobicContact CD2-CG2 4.24Å; W286-V388 HydrophobicContact CE3-CG2 3.69Å; W286-V388 HydrophobicContact CZ3-CG2 4.33Å
287	H	67.9	Low	64.7	Low	81 Å²	81	71.3 Å²	71.3	38%	0.375	39%	0.389	S	S	.	.	S	Bend	trans	-106.8	136.4	179.6	-62.4	75.7	0	0	0	110	F276 T285	F276-H287 WeakPolarHBondContact CD2-O 3.23Å; T285-H287 VanDerWaalsContact C-N 3.33Å; T285-H287 WeakPolarHBondContact CG2-O 3.4Å; T285-H287 PolarHBondContact OG1-N 2.96Å; T285-H287 PolarHBondContact OG1-O 3.15Å
288	D	73.1	Confident	63.9	Low	6 Å²	6	72.6 Å²	72.6	3%	0.032	40%	0.398	C	S	.	.			trans	-63	121.4	178.2	-165.6	-37.9	0	0	0	111.1	F276 R290 V291 T333	F276-D288 HydrophobicContact CE1-CB 4.46Å; F276-D288 HydrophobicContact CE2-CB 3.78Å; F276-D288 HydrophobicContact CZ-CB 3.73Å; D288-R290 PolarHBondContact O-N 3.32Å; D288-R290 VanDerWaalsContact O-N 3.1Å; D288-R290 WeakPolarHBondContact OD1-CB 3.41Å; D288-R290 WeakPolarHBondContact OD1-CG 3.44Å; D288-R290 IonicContact OD1-CZ 2.66Å; D288-R290 PolarHBondContact OD1-N 3.01Å; D288-R290 IonicContact OD1-NE 2.66Å; D288-R290 PolarHBondContact OD1-NE 2.88Å; D288-R290 IonicContact OD1-NH2 2.7Å; D288-R290 IonicContact OD2-CZ 3.09Å; D288-R290 VanDerWaalsContact OD2-CZ 3.29Å; D288-R290 IonicContact OD2-NE 2.89Å; D288-R290 PolarHBondContact OD2-NE 2.81Å; D288-R290 VanDerWaalsContact OD2-NE 3.09Å; D288-R290 IonicContact OD2-NH2 3.75Å; D288-R290 PolarHBondContact OD2-NH2 3.26Å; D288-V291 HydrophobicContact CB-CG2 4.39Å; D288-V291 PolarHBondContact O-N 3.24Å; D288-V291 VanDerWaalsContact O-N 3.09Å; D288-T333 HydrophobicContact CB-CG2 3.81Å; D288-T333 PolarHBondContact N-OG1 3.07Å
289	P	67.6	Low	62.7	Low	42 Å²	42	75.9 Å²	75.9	27%	0.273	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.6	-179.8	29.8	-37.9	0	0	0	113.6	L260 P261 Y264 F276 V291	L260-P289 HydrophobicContact CD2-CG 3.89Å; P261-P289 HydrophobicContact CG-CB 4.3Å; P261-P289 HydrophobicContact CG-CG 4.38Å; Y264-P289 HydrophobicContact CD1-CB 4.16Å; Y264-P289 HydrophobicContact CD1-CG 3.79Å; Y264-P289 HydrophobicContact CD2-CB 4.14Å; Y264-P289 HydrophobicContact CD2-CG 4.14Å; Y264-P289 HydrophobicContact CE1-CB 4.15Å; Y264-P289 HydrophobicContact CE1-CG 4.26Å; Y264-P289 HydrophobicContact CE2-CB 4.13Å; Y264-P289 HydrophobicContact CG-CB 4.15Å; Y264-P289 HydrophobicContact CG-CG 3.72Å; F276-P289 HydrophobicContact CB-CG 4.5Å; P289-V291 VanDerWaalsContact C-N 3.33Å
290	R	66.7	Low	61.8	Low	38 Å²	38	74.4 Å²	74.4	14%	0.143	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-17	174.2	-61.6	171.7	-72.2	-163.3	-3.9	113.2	P258 L260 P261 D288 L341	P258-R290 WeakPolarHBondContact O-CD 3.33Å; P258-R290 PolarHBondContact O-NH1 3Å; L260-R290 HydrophobicContact CD2-CG 4.28Å; P261-R290 HydrophobicContact CG-CG 4.41Å; D288-R290 PolarHBondContact O-N 3.32Å; D288-R290 VanDerWaalsContact O-N 3.1Å; D288-R290 WeakPolarHBondContact OD1-CB 3.41Å; D288-R290 WeakPolarHBondContact OD1-CG 3.44Å; D288-R290 IonicContact OD1-CZ 2.66Å; D288-R290 PolarHBondContact OD1-N 3.01Å; D288-R290 IonicContact OD1-NE 2.66Å; D288-R290 PolarHBondContact OD1-NE 2.88Å; D288-R290 IonicContact OD1-NH2 2.7Å; D288-R290 IonicContact OD2-CZ 3.09Å; D288-R290 VanDerWaalsContact OD2-CZ 3.29Å; D288-R290 IonicContact OD2-NE 2.89Å; D288-R290 PolarHBondContact OD2-NE 2.81Å; D288-R290 VanDerWaalsContact OD2-NE 3.09Å; D288-R290 IonicContact OD2-NH2 3.75Å; D288-R290 PolarHBondContact OD2-NH2 3.26Å; R290-L341 VanDerWaalsContact O-CD2 3.31Å; R290-L341 WeakPolarHBondContact O-CD2 3.3Å
291	V	61.2	Low	60.9	Low	15 Å²	15	75.1 Å²	75.1	9%	0.091	41%	0.412	C	S	.	.	S	Bend	trans	-108.1	118.1	-176.4	-177.9	0	0	0	0	109.5	D288 P289 R293 L295 T333 L337	D288-V291 HydrophobicContact CB-CG2 4.39Å; D288-V291 PolarHBondContact O-N 3.24Å; D288-V291 VanDerWaalsContact O-N 3.09Å; P289-V291 VanDerWaalsContact C-N 3.33Å; V291-R293 PolarHBondContact O-N 3.38Å; V291-L295 HydrophobicContact CG1-CB 4.26Å; V291-T333 HydrophobicContact CB-CG2 4.21Å; V291-T333 HydrophobicContact CG2-CG2 3.74Å; V291-L337 HydrophobicContact CG1-CB 4.32Å; V291-L337 HydrophobicContact CG1-CD1 4.06Å; V291-L337 HydrophobicContact CG2-CB 3.99Å
292	P	58.2	Low	59.9	Low	51 Å²	51	78.7 Å²	78.7	33%	0.331	42%	0.423	S	S	.	.			trans	-52.1	136.4	172.6	-28	34.9	0	0	0	111.8	D294 L295	P292-D294 PolarHBondContact O-N 2.99Å; P292-D294 VanDerWaalsContact O-N 3.12Å; P292-L295 HydrophobicContact CB-CD1 4.19Å; P292-L295 HydrophobicContact CB-CG 4.39Å; P292-L295 HydrophobicContact CG-CD1 4.02Å; P292-L295 PolarHBondContact O-N 2.79Å
293	R	52.5	Low	59.6	Low	201 Å²	201	77.9 Å²	77.9	76%	0.758	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-57.5	-30.4	-176.9	-73.2	-176	177.6	177.6	-0.8	113.1	V291 L295 S296	V291-R293 PolarHBondContact O-N 3.38Å; R293-L295 PolarHBondContact O-N 3.47Å; R293-S296 PolarHBondContact O-N 3.44Å; R293-S296 PolarHBondContact O-OG 3.12Å; R293-S296 VanDerWaalsContact O-OG 3.05Å
294	D	52.8	Low	59.1	Low	152 Å²	152	75.5 Å²	75.5	81%	0.813	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-70.8	-17	179.5	-48.9	-40.2	0	0	0	112.5	P292	P292-D294 PolarHBondContact O-N 2.99Å; P292-D294 VanDerWaalsContact O-N 3.12Å
295	L	52.1	Low	58.9	Low	34 Å²	34	77.9 Å²	77.9	18%	0.178	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-97.1	-2.1	178.7	-65.4	173.8	0	0	0	113.9	V291 P292 R293 N297 V298 V344 L345	V291-L295 HydrophobicContact CG1-CB 4.26Å; P292-L295 HydrophobicContact CB-CD1 4.19Å; P292-L295 HydrophobicContact CB-CG 4.39Å; P292-L295 HydrophobicContact CG-CD1 4.02Å; P292-L295 PolarHBondContact O-N 2.79Å; R293-L295 PolarHBondContact O-N 3.47Å; L295-N297 PolarHBondContact O-N 3.05Å; L295-V298 HydrophobicContact CB-CG2 4.21Å; L295-V298 HydrophobicContact CD2-CG2 3.74Å; L295-V298 WeakPolarHBondContact O-CG2 3.48Å; L295-V344 HydrophobicContact CD1-CG1 3.71Å; L295-V344 HydrophobicContact CD2-CG1 3.75Å; L295-V344 HydrophobicContact CG-CG1 4.37Å; L295-L345 HydrophobicContact CD1-CD2 4.19Å
296	S	50.2	Low	58.9	Low	53 Å²	53	78.5 Å²	78.5	37%	0.371	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.8	176.5	68.5	0	0	0	0	113.8	R293	R293-S296 PolarHBondContact O-N 3.44Å; R293-S296 PolarHBondContact O-OG 3.12Å; R293-S296 VanDerWaalsContact O-OG 3.05Å
297	N	49.3	Very low	59	Low	146 Å²	146	78.2 Å²	78.2	78%	0.781	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	14.8	-177.4	-65.7	-1.5	0	0	0	113.2	L295	L295-N297 PolarHBondContact O-N 3.05Å
298	V	54.2	Low	58.5	Low	54 Å²	54	80.1 Å²	80.1	33%	0.327	44%	0.44	S	S	.	.	S	Bend	trans	-64.9	141.7	178.5	176.6	0	0	0	0	110.5	L295 C300	L295-V298 HydrophobicContact CB-CG2 4.21Å; L295-V298 HydrophobicContact CD2-CG2 3.74Å; L295-V298 WeakPolarHBondContact O-CG2 3.48Å; V298-C300 PolarHBondContact O-N 2.87Å
299	N	51.9	Low	58.1	Low	95 Å²	95	81.4 Å²	81.4	51%	0.508	45%	0.454	S	S	.	.			trans	-60.4	120.3	-178.9	-172.6	26.2	0	0	0	111	E301 E302	N299-E301 PolarHBondContact O-N 3.45Å; N299-E301 VanDerWaalsContact O-N 3.15Å; N299-E302 PolarHBondContact O-N 3.36Å
300	C	52.9	Low	58.4	Low	47 Å²	47	81.9 Å²	81.9	32%	0.318	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.3	-167.3	59	0	0	0	0	114.4	V298 I312 R336	V298-C300 PolarHBondContact O-N 2.87Å; C300-I312 HydrophobicContact CB-CD1 4.36Å; C300-R336 PolarHBondContact O-NH1 3.16Å; C300-R336 PolarHBondContact O-NH2 3.4Å
301	E	51.9	Low	58.8	Low	162 Å²	162	81 Å²	81	76%	0.757	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-26.9	177.2	-60.9	-168.2	144.7	0	0	113.3	N299 L303	N299-E301 PolarHBondContact O-N 3.45Å; N299-E301 VanDerWaalsContact O-N 3.15Å; E301-L303 VanDerWaalsContact C-N 3.27Å; E301-L303 PolarHBondContact O-N 3.37Å
302	E	52.5	Low	59.6	Low	166 Å²	166	83 Å²	83	78%	0.776	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.6	-175	-153.2	167.7	-159.5	0	0	113	N299	N299-E302 PolarHBondContact O-N 3.36Å
303	L	58.1	Low	60.1	Low	38 Å²	38	81.5 Å²	81.5	20%	0.199	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	9.1	-174.1	-70	168.8	0	0	0	114.5	E301 R336 L337	E301-L303 VanDerWaalsContact C-N 3.27Å; E301-L303 PolarHBondContact O-N 3.37Å; L303-R336 VanDerWaalsContact CB-CZ 3.49Å; L303-R336 WeakPolarHBondContact O-CD 3.28Å; L303-L337 HydrophobicContact CD1-CD2 3.95Å; L303-L337 HydrophobicContact CD1-CG 4.27Å; L303-L337 HydrophobicContact CD2-CD2 4.33Å
304	G	57.4	Low	61.1	Low	40 Å²	40	76.7 Å²	76.7	41%	0.412	44%	0.435	S	S	.	.			trans	73.2	-172.2	179.6	0	0	0	0	0	114.4	R336	G304-R336 PolarHBondContact O-NH1 3.34Å
305	P	65.3	Low	61.6	Low	125 Å²	125	70.6 Å²	70.6	81%	0.812	40%	0.403	S	S	*	.	S	Bend	trans	-67.3	151.1	179.4	28.4	-34.7	0	0	0	112.4
306	L	71	Confident	61.5	Low	45 Å²	45	74.6 Å²	74.6	24%	0.236	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-65.2	153	172.1	-84.1	-176.8	0	0	0	112.1	W310 I312 F322 P335 R336	L306-W310 HydrophobicContact CB-CB 4.29Å; L306-W310 HydrophobicContact CD1-CB 4.08Å; L306-W310 HydrophobicContact CD2-CB 4.46Å; L306-I312 HydrophobicContact CD1-CD1 4.27Å; L306-I312 HydrophobicContact CD1-CG1 3.46Å; L306-I312 VanDerWaalsContact CD1-CG1 3.46Å; L306-I312 HydrophobicContact CG-CD1 4.46Å; L306-I312 HydrophobicContact CG-CG1 4.16Å; L306-F322 HydrophobicContact CD2-CD1 4.31Å; L306-F322 HydrophobicContact CD2-CE1 4.43Å; L306-P335 HydrophobicContact CD2-CG 3.97Å; L306-R336 HydrophobicContact CD2-CG 4.27Å
307	P	72.8	Confident	61.9	Low	51 Å²	51	76.6 Å²	76.6	33%	0.331	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-59.9	149.6	170.2	-20.4	32.5	0	0	0	112.2	G309 W310	P307-G309 PolarHBondContact O-N 3.38Å; P307-W310 HydrophobicContact CB-CG 4.49Å; P307-W310 WeakPolarHBondContact O-CB 3.17Å; P307-W310 PolarHBondContact O-N 3.31Å
308	P	57.5	Low	62.1	Low	121 Å²	121	71.8 Å²	71.8	79%	0.786	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	132.3	179.1	-28.2	35.9	0	0	0	113.5	W310 N326	P308-W310 VanDerWaalsContact C-N 3.32Å; P308-N326 PolarHBondContact O-ND2 2.83Å; P308-N326 VanDerWaalsContact O-ND2 3.16Å
309	G	64.6	Low	62.4	Low	33 Å²	33	75.3 Å²	75.3	34%	0.34	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	1.3	-177.7	0	0	0	0	0	115.2	P307 H325	P307-G309 PolarHBondContact O-N 3.38Å; G309-H325 WeakPolarHBondContact O-CB 3.49Å; G309-H325 PolarHBondContact O-CD2 3.17Å; G309-H325 PolarHBondContact O-N 3.15Å
310	W	74.1	Confident	63.1	Low	53 Å²	53	73.6 Å²	73.6	20%	0.201	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	147.7	170.1	-70.6	74.9	0	0	0	112.1	L306 P307 P308 F322 V323 D324 Q331 P335	L306-W310 HydrophobicContact CB-CB 4.29Å; L306-W310 HydrophobicContact CD1-CB 4.08Å; L306-W310 HydrophobicContact CD2-CB 4.46Å; P307-W310 HydrophobicContact CB-CG 4.49Å; P307-W310 WeakPolarHBondContact O-CB 3.17Å; P307-W310 PolarHBondContact O-N 3.31Å; P308-W310 VanDerWaalsContact C-N 3.32Å; W310-F322 HydrophobicContact CE3-CB 4.16Å; W310-F322 HydrophobicContact CZ3-CB 4.21Å; W310-V323 CarbonylContact C-O 3.58Å; W310-V323 VanDerWaalsContact CA-O 3.3Å; W310-V323 WeakPolarHBondContact CA-O 3.41Å; W310-D324 HydrophobicContact CD2-CB 3.94Å; W310-D324 HydrophobicContact CE3-CB 3.98Å; W310-D324 HydrophobicContact CH2-CB 3.77Å; W310-D324 HydrophobicContact CZ2-CB 3.69Å; W310-D324 WeakPolarHBondContact CZ2-OD2 3.34Å; W310-D324 HydrophobicContact CZ3-CB 3.91Å; W310-Q331 HydrophobicContact CH2-CG 4.38Å; W310-Q331 HydrophobicContact CZ3-CG 3.93Å; W310-P335 HydrophobicContact CD2-CB 3.94Å; W310-P335 HydrophobicContact CD2-CG 3.7Å; W310-P335 HydrophobicContact CE3-CB 3.89Å; W310-P335 HydrophobicContact CE3-CG 3.51Å; W310-P335 HydrophobicContact CG-CG 4.18Å; W310-P335 HydrophobicContact CH2-CB 3.94Å; W310-P335 HydrophobicContact CH2-CG 4.46Å; W310-P335 HydrophobicContact CZ2-CB 4.01Å; W310-P335 HydrophobicContact CZ3-CB 3.88Å; W310-P335 HydrophobicContact CZ3-CG 3.91Å
311	E	73.6	Confident	64.2	Low	18 Å²	18	72.3 Å²	72.3	8%	0.084	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141	-178.3	174.2	178	-129	0	0	111.3	R313 F322 V323 H325 Q397 I401	E311-R313 HydrophobicContact CG-CG 4.18Å; E311-R313 IonicContact OE1-NH2 2.95Å; E311-R313 IonicContact OE2-CZ 3.27Å; E311-R313 IonicContact OE2-NE 3.98Å; E311-R313 PolarHBondContact OE2-NE 2.68Å; E311-R313 IonicContact OE2-NH2 2.65Å; E311-R313 PolarHBondContact OE2-NH2 2.95Å; E311-F322 CarbonylContact O-C 3.41Å; E311-F322 WeakPolarHBondContact O-CA 3.32Å; E311-V323 HydrophobicContact CB-CB 4.33Å; E311-V323 PolarHBondContact N-O 2.76Å; E311-V323 PolarHBondContact O-N 3.07Å; E311-H325 IonicContact OE2-CE1 3.25Å; E311-H325 PolarHBondContact OE2-CE1 2.92Å; E311-H325 IonicContact OE2-NE2 3.43Å; E311-H325 PolarHBondContact OE2-NE2 2.7Å; E311-Q397 VanDerWaalsContact CD-NE2 3.3Å; E311-Q397 WeakPolarHBondContact OE1-CG 3.44Å; E311-Q397 PolarHBondContact OE1-NE2 3.28Å; E311-I401 WeakPolarHBondContact OE1-CD1 3.48Å
312	I	79.3	Confident	65.4	Low	58 Å²	58	65.1 Å²	65.1	30%	0.297	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137	171.4	-46.5	-172.8	0	0	0	109.3	C300 L306 V320 F322	C300-I312 HydrophobicContact CB-CD1 4.36Å; L306-I312 HydrophobicContact CD1-CD1 4.27Å; L306-I312 HydrophobicContact CD1-CG1 3.46Å; L306-I312 VanDerWaalsContact CD1-CG1 3.46Å; L306-I312 HydrophobicContact CG-CD1 4.46Å; L306-I312 HydrophobicContact CG-CG1 4.16Å; I312-V320 HydrophobicContact CG2-CG1 3.41Å; I312-V320 VanDerWaalsContact CG2-CG1 3.41Å; I312-F322 HydrophobicContact CD1-CE1 4.08Å; I312-F322 HydrophobicContact CG1-CD1 4.08Å; I312-F322 HydrophobicContact CG1-CE1 3.87Å; I312-F322 HydrophobicContact CG2-CE1 4.31Å
313	R	68.8	Low	66.2	Low	19 Å²	19	57.4 Å²	57.4	7%	0.072	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	163.3	173.3	-64.2	-168.7	-176.5	-142.8	-4.8	111.1	E311 V320 Y321 V323 D394 Q397	E311-R313 HydrophobicContact CG-CG 4.18Å; E311-R313 IonicContact OE1-NH2 2.95Å; E311-R313 IonicContact OE2-CZ 3.27Å; E311-R313 IonicContact OE2-NE 3.98Å; E311-R313 PolarHBondContact OE2-NE 2.68Å; E311-R313 IonicContact OE2-NH2 2.65Å; E311-R313 PolarHBondContact OE2-NH2 2.95Å; R313-V320 CarbonylContact O-C 3.55Å; R313-V320 WeakPolarHBondContact O-CA 3.49Å; R313-Y321 HydrophobicContact CB-CD1 3.96Å; R313-Y321 HydrophobicContact CB-CD2 4.42Å; R313-Y321 HydrophobicContact CB-CE1 3.4Å; R313-Y321 VanDerWaalsContact CB-CE1 3.4Å; R313-Y321 HydrophobicContact CB-CE2 3.93Å; R313-Y321 HydrophobicContact CB-CG 4.44Å; R313-Y321 VanDerWaalsContact CD-OH 3.3Å; R313-Y321 WeakPolarHBondContact CD-OH 3.05Å; R313-Y321 HydrophobicContact CG-CE2 4.5Å; R313-Y321 PolarHBondContact N-O 3.37Å; R313-Y321 WeakPolarHBondContact O-CD1 3.4Å; R313-Y321 PolarHBondContact O-N 3.37Å; R313-Y321 VanDerWaalsContact O-O 3.09Å; R313-V323 HydrophobicContact CG-CG2 3.94Å; R313-D394 IonicContact NH1-OD2 3.89Å; R313-D394 PolarHBondContact NH1-OD2 2.86Å; R313-Q397 VanDerWaalsContact NH1-OE1 3.07Å
314	N	71.7	Confident	66.9	Low	101 Å²	101	55.8 Å²	55.8	54%	0.54	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.1	172	-62.4	77.8	0	0	0	110.3	G318 R319	N314-G318 PolarHBondContact ND2-O 2.91Å; N314-R319 CarbonylContact C-O 3.53Å; N314-R319 WeakPolarHBondContact CA-O 3.39Å
315	T	64.8	Low	67.2	Low	23 Å²	23	55.7 Å²	55.7	14%	0.141	34%	0.336	C	S	.	.			trans	-68.4	167.3	167.7	61.9	0	0	0	0	110.7	T317 G318 R319 Y321 F332 P389	T315-T317 PolarHBondContact O-N 3.36Å; T315-T317 VanDerWaalsContact O-N 3.16Å; T315-T317 PolarHBondContact OG1-N 3.06Å; T315-T317 PolarHBondContact OG1-OG1 2.85Å; T315-T317 VanDerWaalsContact OG1-OG1 3.11Å; T315-G318 PolarHBondContact O-N 3.16Å; T315-G318 PolarHBondContact OG1-N 3.36Å; T315-R319 HydrophobicContact CG2-CB 4.24Å; T315-R319 WeakPolarHBondContact CG2-O 3.28Å; T315-R319 PolarHBondContact N-O 2.85Å; T315-R319 WeakPolarHBondContact OG1-CB 3.33Å; T315-R319 PolarHBondContact OG1-N 3.4Å; T315-R319 PolarHBondContact OG1-O 3.4Å; T315-R319 VanDerWaalsContact OG1-O 3.1Å; T315-Y321 HydrophobicContact CG2-CD1 3.79Å; T315-Y321 HydrophobicContact CG2-CE1 4.22Å; T315-F332 HydrophobicContact CG2-CE1 4.03Å; T315-P389 HydrophobicContact CG2-CG 3.68Å
316	A	50.1	Low	67.1	Low	118 Å²	118	54.6 Å²	54.6	98%	0.975	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.2	174.1	0	0	0	0	0	113.4	G318	A316-G318 VanDerWaalsContact C-N 3.33Å
317	T	57.4	Low	66.7	Low	95 Å²	95	58.1 Å²	58.1	58%	0.583	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	11.7	174.8	58.3	0	0	0	0	113.1	T315 R319	T315-T317 PolarHBondContact O-N 3.36Å; T315-T317 VanDerWaalsContact O-N 3.16Å; T315-T317 PolarHBondContact OG1-N 3.06Å; T315-T317 PolarHBondContact OG1-OG1 2.85Å; T315-T317 VanDerWaalsContact OG1-OG1 3.11Å; T317-R319 VanDerWaalsContact C-N 3.27Å; T317-R319 PolarHBondContact O-N 3.46Å
318	G	53.8	Low	66.4	Low	46 Å²	46	62.5 Å²	62.5	47%	0.474	35%	0.352	S	S	.	.	S	Bend	trans	82.5	-15.9	177.4	0	0	0	0	0	115.5	N314 T315 A316 V320	N314-G318 PolarHBondContact ND2-O 2.91Å; T315-G318 PolarHBondContact O-N 3.16Å; T315-G318 PolarHBondContact OG1-N 3.36Å; A316-G318 VanDerWaalsContact C-N 3.33Å; G318-V320 PolarHBondContact O-N 2.92Å
319	R	60.3	Low	67	Low	127 Å²	127	57.3 Å²	57.3	48%	0.479	32%	0.319	S	S	.	.			trans	-58.1	135.3	178.2	-67.7	-178.8	170.8	160.5	-0.8	111.6	N314 T315 T317 C385	N314-R319 CarbonylContact C-O 3.53Å; N314-R319 WeakPolarHBondContact CA-O 3.39Å; T315-R319 HydrophobicContact CG2-CB 4.24Å; T315-R319 WeakPolarHBondContact CG2-O 3.28Å; T315-R319 PolarHBondContact N-O 2.85Å; T315-R319 WeakPolarHBondContact OG1-CB 3.33Å; T315-R319 PolarHBondContact OG1-N 3.4Å; T315-R319 PolarHBondContact OG1-O 3.4Å; T315-R319 VanDerWaalsContact OG1-O 3.1Å; T317-R319 VanDerWaalsContact C-N 3.27Å; T317-R319 PolarHBondContact O-N 3.46Å; R319-C385 PolarHBondContact NH1-O 3.12Å
320	V	68.2	Low	67.5	Low	59 Å²	59	55.9 Å²	55.9	36%	0.358	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	141.4	176.3	175.6	0	0	0	0	110.6	I312 R313 G318 F322 F332	I312-V320 HydrophobicContact CG2-CG1 3.41Å; I312-V320 VanDerWaalsContact CG2-CG1 3.41Å; R313-V320 CarbonylContact O-C 3.55Å; R313-V320 WeakPolarHBondContact O-CA 3.49Å; G318-V320 PolarHBondContact O-N 2.92Å; V320-F322 HydrophobicContact CG1-CE2 4.06Å; V320-F322 HydrophobicContact CG1-CZ 3.94Å; V320-F332 WeakPolarHBondContact O-CD1 3.42Å
321	Y	74.2	Confident	67.6	Low	21 Å²	21	54.3 Å²	54.3	8%	0.082	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	163.3	167.8	72.5	-79.6	0	0	0	110.4	R313 T315 V323 T330 V388 P389	R313-Y321 HydrophobicContact CB-CD1 3.96Å; R313-Y321 HydrophobicContact CB-CD2 4.42Å; R313-Y321 HydrophobicContact CB-CE1 3.4Å; R313-Y321 VanDerWaalsContact CB-CE1 3.4Å; R313-Y321 HydrophobicContact CB-CE2 3.93Å; R313-Y321 HydrophobicContact CB-CG 4.44Å; R313-Y321 VanDerWaalsContact CD-OH 3.3Å; R313-Y321 WeakPolarHBondContact CD-OH 3.05Å; R313-Y321 HydrophobicContact CG-CE2 4.5Å; R313-Y321 PolarHBondContact N-O 3.37Å; R313-Y321 WeakPolarHBondContact O-CD1 3.4Å; R313-Y321 PolarHBondContact O-N 3.37Å; R313-Y321 VanDerWaalsContact O-O 3.09Å; T315-Y321 HydrophobicContact CG2-CD1 3.79Å; T315-Y321 HydrophobicContact CG2-CE1 4.22Å; Y321-V323 HydrophobicContact CD2-CG2 4.05Å; Y321-V323 HydrophobicContact CE2-CG2 3.62Å; Y321-T330 HydrophobicContact CE2-CG2 4.29Å; Y321-V388 HydrophobicContact CD2-CG1 4.15Å; Y321-P389 HydrophobicContact CD1-CG 3.97Å; Y321-P389 HydrophobicContact CD2-CG 4.39Å; Y321-P389 HydrophobicContact CE1-CB 4.22Å; Y321-P389 HydrophobicContact CE1-CG 3.65Å; Y321-P389 HydrophobicContact CE2-CB 3.98Å; Y321-P389 HydrophobicContact CE2-CG 4.1Å; Y321-P389 HydrophobicContact CG-CG 4.32Å
322	F	77.7	Confident	67.7	Low	11 Å²	11	54.8 Å²	54.8	5%	0.048	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.4	-174.1	-57.1	-92	0	0	0	110.2	L306 W310 E311 I312 V320 T330 Q331 F332 T333 D334	L306-F322 HydrophobicContact CD2-CD1 4.31Å; L306-F322 HydrophobicContact CD2-CE1 4.43Å; W310-F322 HydrophobicContact CE3-CB 4.16Å; W310-F322 HydrophobicContact CZ3-CB 4.21Å; E311-F322 CarbonylContact O-C 3.41Å; E311-F322 WeakPolarHBondContact O-CA 3.32Å; I312-F322 HydrophobicContact CD1-CE1 4.08Å; I312-F322 HydrophobicContact CG1-CD1 4.08Å; I312-F322 HydrophobicContact CG1-CE1 3.87Å; I312-F322 HydrophobicContact CG2-CE1 4.31Å; V320-F322 HydrophobicContact CG1-CE2 4.06Å; V320-F322 HydrophobicContact CG1-CZ 3.94Å; F322-T330 CarbonylContact O-C 3.45Å; F322-T330 VanDerWaalsContact O-CA 3.31Å; F322-T330 WeakPolarHBondContact O-CA 3.16Å; F322-Q331 HydrophobicContact CB-CG 4.22Å; F322-Q331 PolarHBondContact N-O 3.18Å; F322-Q331 PolarHBondContact O-N 3.31Å; F322-F332 WeakPolarHBondContact CD2-O 3.25Å; F322-F332 WeakPolarHBondContact CE2-O 3.2Å; F322-T333 WeakPolarHBondContact CD2-O 3.49Å; F322-D334 HydrophobicContact CD2-CB 4.39Å; F322-D334 HydrophobicContact CE1-CB 3.89Å; F322-D334 VanDerWaalsContact CE1-CG 3.48Å; F322-D334 VanDerWaalsContact CE1-OD2 3.23Å; F322-D334 WeakPolarHBondContact CE1-OD2 3.24Å; F322-D334 VanDerWaalsContact CE2-CA 3.44Å; F322-D334 HydrophobicContact CE2-CB 3.71Å; F322-D334 HydrophobicContact CZ-CB 3.42Å; F322-D334 VanDerWaalsContact CZ-CB 3.42Å; F322-D334 VanDerWaalsContact CZ-CG 3.5Å; F322-D334 VanDerWaalsContact CZ-OD2 3.24Å; F322-D334 WeakPolarHBondContact CZ-OD2 3.39Å
323	V	69.4	Low	67.5	Low	3 Å²	3	52.4 Å²	52.4	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.5	-179.2	-175.7	0	0	0	0	109	W310 E311 R313 Y321 T330 Y391	W310-V323 CarbonylContact C-O 3.58Å; W310-V323 VanDerWaalsContact CA-O 3.3Å; W310-V323 WeakPolarHBondContact CA-O 3.41Å; E311-V323 HydrophobicContact CB-CB 4.33Å; E311-V323 PolarHBondContact N-O 2.76Å; E311-V323 PolarHBondContact O-N 3.07Å; R313-V323 HydrophobicContact CG-CG2 3.94Å; Y321-V323 HydrophobicContact CD2-CG2 4.05Å; Y321-V323 HydrophobicContact CE2-CG2 3.62Å; V323-T330 HydrophobicContact CB-CG2 4.43Å; V323-T330 HydrophobicContact CG1-CG2 4.2Å; V323-T330 HydrophobicContact CG2-CG2 3.97Å; V323-Y391 HydrophobicContact CG1-CD2 3.81Å; V323-Y391 HydrophobicContact CG1-CE2 3.94Å
324	D	73.3	Confident	67.9	Low	4 Å²	4	52 Å²	52	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	104.9	173.1	-178.2	2	0	0	0	109.2	W310 N326 N327 R328 T329	W310-D324 HydrophobicContact CD2-CB 3.94Å; W310-D324 HydrophobicContact CE3-CB 3.98Å; W310-D324 HydrophobicContact CH2-CB 3.77Å; W310-D324 HydrophobicContact CZ2-CB 3.69Å; W310-D324 WeakPolarHBondContact CZ2-OD2 3.34Å; W310-D324 HydrophobicContact CZ3-CB 3.91Å; D324-N326 VanDerWaalsContact C-N 3.26Å; D324-N326 PolarHBondContact O-N 3.16Å; D324-N326 WeakPolarHBondContact OD1-CA 3.48Å; D324-N326 WeakPolarHBondContact OD1-CB 3.18Å; D324-N326 PolarHBondContact OD1-N 3.38Å; D324-N326 PolarHBondContact OD1-ND2 2.81Å; D324-N327 PolarHBondContact OD1-N 2.95Å; D324-N327 WeakPolarHBondContact OD2-CB 3.47Å; D324-N327 PolarHBondContact OD2-ND2 3.43Å; D324-R328 CarbonylContact O-C 3.6Å; D324-R328 WeakPolarHBondContact O-CA 3.46Å; D324-R328 PolarHBondContact O-N 2.78Å; D324-T329 PolarHBondContact N-O 3.28Å; D324-T329 PolarHBondContact O-N 2.91Å
325	H	63.1	Low	67.9	Low	39 Å²	39	48 Å²	48	18%	0.181	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-18.1	178	-66.6	-82.4	0	0	0	112.8	G309 E311 Y391	G309-H325 WeakPolarHBondContact O-CB 3.49Å; G309-H325 PolarHBondContact O-CD2 3.17Å; G309-H325 PolarHBondContact O-N 3.15Å; E311-H325 IonicContact OE2-CE1 3.25Å; E311-H325 PolarHBondContact OE2-CE1 2.92Å; E311-H325 IonicContact OE2-NE2 3.43Å; E311-H325 PolarHBondContact OE2-NE2 2.7Å; H325-Y391 AromaticContact ND1-CE2 3.96Å
326	N	64.2	Low	68.3	Low	101 Å²	101	47.5 Å²	47.5	54%	0.54	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-50.4	177.6	-49.8	-76.5	0	0	0	110.3	P308 D324	P308-N326 PolarHBondContact O-ND2 2.83Å; P308-N326 VanDerWaalsContact O-ND2 3.16Å; D324-N326 VanDerWaalsContact C-N 3.26Å; D324-N326 PolarHBondContact O-N 3.16Å; D324-N326 WeakPolarHBondContact OD1-CA 3.48Å; D324-N326 WeakPolarHBondContact OD1-CB 3.18Å; D324-N326 PolarHBondContact OD1-N 3.38Å; D324-N326 PolarHBondContact OD1-ND2 2.81Å
327	N	62.1	Low	69.1	Low	119 Å²	119	42.3 Å²	42.3	64%	0.636	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.7	-179.8	-63.5	-50.3	0	0	0	113.6	D324 T329	D324-N327 PolarHBondContact OD1-N 2.95Å; D324-N327 WeakPolarHBondContact OD2-CB 3.47Å; D324-N327 PolarHBondContact OD2-ND2 3.43Å; N327-T329 HydrophobicContact CB-CG2 4.15Å
328	R	65.8	Low	69.2	Low	143 Å²	143	38.5 Å²	38.5	54%	0.54	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	42.7	-175	-54.3	175.4	179.1	169.8	0.9	112.7	D324 Y391	D324-R328 CarbonylContact O-C 3.6Å; D324-R328 WeakPolarHBondContact O-CA 3.46Å; D324-R328 PolarHBondContact O-N 2.78Å; R328-Y391 HydrophobicContact CB-CD1 4.11Å; R328-Y391 HydrophobicContact CB-CD2 4.37Å; R328-Y391 HydrophobicContact CB-CE1 3.9Å; R328-Y391 HydrophobicContact CB-CE2 4.19Å; R328-Y391 HydrophobicContact CB-CG 4.35Å; R328-Y391 HydrophobicContact CG-CE1 4.18Å
329	T	71.3	Confident	69.2	Low	13 Å²	13	39 Å²	39	8%	0.08	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	164.9	-176.8	62.2	0	0	0	0	113.8	T268 G272 V274 D324 N327	T268-T329 HydrophobicContact CG2-CG2 3.73Å; G272-T329 CarbonylContact O-C 3.58Å; G272-T329 WeakPolarHBondContact O-CA 3.41Å; G272-T329 WeakPolarHBondContact O-CB 3.49Å; G272-T329 WeakPolarHBondContact O-CG2 3.38Å; V274-T329 HydrophobicContact CG2-CG2 4.31Å; D324-T329 PolarHBondContact N-O 3.28Å; D324-T329 PolarHBondContact O-N 2.91Å; N327-T329 HydrophobicContact CB-CG2 4.15Å
330	T	74.8	Confident	68.8	Low	2 Å²	2	35.7 Å²	35.7	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.6	174.3	59.6	0	0	0	0	111.4	G272 V274 Y321 F322 V323 V388 P389	G272-T330 PolarHBondContact O-N 3.11Å; V274-T330 PolarHBondContact N-O 2.9Å; Y321-T330 HydrophobicContact CE2-CG2 4.29Å; F322-T330 CarbonylContact O-C 3.45Å; F322-T330 VanDerWaalsContact O-CA 3.31Å; F322-T330 WeakPolarHBondContact O-CA 3.16Å; V323-T330 HydrophobicContact CB-CG2 4.43Å; V323-T330 HydrophobicContact CG1-CG2 4.2Å; V323-T330 HydrophobicContact CG2-CG2 3.97Å; T330-V388 WeakPolarHBondContact OG1-CG1 3.23Å; T330-P389 WeakPolarHBondContact CB-O 3.29Å; T330-P389 WeakPolarHBondContact CG2-O 3.46Å; T330-P389 PolarHBondContact OG1-O 2.82Å
331	Q	76.3	Confident	68	Low	20 Å²	20	34.7 Å²	34.7	9%	0.093	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	155	178.9	61.4	-175.5	51.8	0	0	112.2	V274 W310 F322 T333	V274-Q331 HydrophobicContact CB-CB 4.07Å; V274-Q331 HydrophobicContact CG2-CB 4.36Å; W310-Q331 HydrophobicContact CH2-CG 4.38Å; W310-Q331 HydrophobicContact CZ3-CG 3.93Å; F322-Q331 HydrophobicContact CB-CG 4.22Å; F322-Q331 PolarHBondContact N-O 3.18Å; F322-Q331 PolarHBondContact O-N 3.31Å; Q331-T333 WeakPolarHBondContact CG-O 3.43Å; Q331-T333 PolarHBondContact NE2-O 3.21Å
332	F	75.4	Confident	66.7	Low	29 Å²	29	40.9 Å²	40.9	13%	0.127	21%	0.209	C	C	.	.	S	Bend	trans	-82.4	-25.7	174.2	-76.8	-56.4	0	0	0	113.7	W286 T315 V320 F322 T387 V388	W286-F332 HydrophobicContact CB-CD2 3.97Å; W286-F332 HydrophobicContact CB-CE2 4.46Å; T315-F332 HydrophobicContact CG2-CE1 4.03Å; V320-F332 WeakPolarHBondContact O-CD1 3.42Å; F322-F332 WeakPolarHBondContact CD2-O 3.25Å; F322-F332 WeakPolarHBondContact CE2-O 3.2Å; F332-T387 WeakPolarHBondContact CZ-O 3.33Å; F332-V388 HydrophobicContact CD2-CB 4.37Å; F332-V388 HydrophobicContact CD2-CG2 3.45Å; F332-V388 VanDerWaalsContact CD2-CG2 3.45Å; F332-V388 HydrophobicContact CE2-CB 4.12Å; F332-V388 HydrophobicContact CE2-CG2 3.59Å; F332-V388 HydrophobicContact CG-CG2 4.02Å; F332-V388 HydrophobicContact CZ-CB 4.36Å; F332-V388 HydrophobicContact CZ-CG2 4.27Å
333	T	75.9	Confident	65.3	Low	8 Å²	8	46.5 Å²	46.5	5%	0.049	24%	0.238	C	C	.	.	S	Bend	trans	-82.5	136.2	-178.8	-52.1	0	0	0	0	111.7	D288 V291 F322 Q331	D288-T333 HydrophobicContact CB-CG2 3.81Å; D288-T333 PolarHBondContact N-OG1 3.07Å; V291-T333 HydrophobicContact CB-CG2 4.21Å; V291-T333 HydrophobicContact CG2-CG2 3.74Å; F322-T333 WeakPolarHBondContact CD2-O 3.49Å; Q331-T333 WeakPolarHBondContact CG-O 3.43Å; Q331-T333 PolarHBondContact NE2-O 3.21Å
334	D	75.4	Confident	64.3	Low	9 Å²	9	49 Å²	49	5%	0.048	25%	0.253	C	S	.	.			trans	-65.6	127.5	176.1	-166.1	-48.6	0	0	0	111.3	F322 R336 L337	F322-D334 HydrophobicContact CD2-CB 4.39Å; F322-D334 HydrophobicContact CE1-CB 3.89Å; F322-D334 VanDerWaalsContact CE1-CG 3.48Å; F322-D334 VanDerWaalsContact CE1-OD2 3.23Å; F322-D334 WeakPolarHBondContact CE1-OD2 3.24Å; F322-D334 VanDerWaalsContact CE2-CA 3.44Å; F322-D334 HydrophobicContact CE2-CB 3.71Å; F322-D334 HydrophobicContact CZ-CB 3.42Å; F322-D334 VanDerWaalsContact CZ-CB 3.42Å; F322-D334 VanDerWaalsContact CZ-CG 3.5Å; F322-D334 VanDerWaalsContact CZ-OD2 3.24Å; F322-D334 WeakPolarHBondContact CZ-OD2 3.39Å; D334-R336 PolarHBondContact O-N 2.73Å; D334-R336 VanDerWaalsContact O-N 3.13Å; D334-R336 WeakPolarHBondContact OD1-CB 3.24Å; D334-R336 VanDerWaalsContact OD1-CG 3.26Å; D334-R336 WeakPolarHBondContact OD1-CG 3.39Å; D334-R336 IonicContact OD1-CZ 2.79Å; D334-R336 PolarHBondContact OD1-N 2.78Å; D334-R336 IonicContact OD1-NE 3.23Å; D334-R336 PolarHBondContact OD1-NE 3.32Å; D334-R336 IonicContact OD1-NH2 3.72Å; D334-R336 IonicContact OD2-CZ 3.69Å; D334-R336 VanDerWaalsContact OD2-CZ 3.27Å; D334-R336 IonicContact OD2-NE 2.9Å; D334-R336 PolarHBondContact OD2-NE 3.12Å; D334-R336 VanDerWaalsContact OD2-NE 3.12Å; D334-R336 IonicContact OD2-NH2 3.63Å; D334-R336 PolarHBondContact OD2-NH2 2.85Å; D334-L337 HydrophobicContact CB-CB 4.46Å; D334-L337 HydrophobicContact CB-CD1 3.79Å; D334-L337 HydrophobicContact CB-CG 3.91Å; D334-L337 PolarHBondContact O-N 3.34Å; D334-L337 VanDerWaalsContact O-N 3.13Å
335	P	72.3	Confident	63.1	Low	18 Å²	18	53.4 Å²	53.4	12%	0.117	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-20.9	177.8	29.2	-39.8	0	0	0	113.6	L306 W310 S338	L306-P335 HydrophobicContact CD2-CG 3.97Å; W310-P335 HydrophobicContact CD2-CB 3.94Å; W310-P335 HydrophobicContact CD2-CG 3.7Å; W310-P335 HydrophobicContact CE3-CB 3.89Å; W310-P335 HydrophobicContact CE3-CG 3.51Å; W310-P335 HydrophobicContact CG-CG 4.18Å; W310-P335 HydrophobicContact CH2-CB 3.94Å; W310-P335 HydrophobicContact CH2-CG 4.46Å; W310-P335 HydrophobicContact CZ2-CB 4.01Å; W310-P335 HydrophobicContact CZ3-CB 3.88Å; W310-P335 HydrophobicContact CZ3-CG 3.91Å; P335-S338 PolarHBondContact O-OG 3.21Å
336	R	73.8	Confident	61.9	Low	12 Å²	12	56.4 Å²	56.4	5%	0.045	29%	0.294	C	S	.	.	H	α-helix	trans	-76.8	-26.9	178.6	-57.6	171.2	-70.4	172.4	5.7	112.3	C300 L303 G304 L306 D334 A339 N340	C300-R336 PolarHBondContact O-NH1 3.16Å; C300-R336 PolarHBondContact O-NH2 3.4Å; L303-R336 VanDerWaalsContact CB-CZ 3.49Å; L303-R336 WeakPolarHBondContact O-CD 3.28Å; G304-R336 PolarHBondContact O-NH1 3.34Å; L306-R336 HydrophobicContact CD2-CG 4.27Å; D334-R336 PolarHBondContact O-N 2.73Å; D334-R336 VanDerWaalsContact O-N 3.13Å; D334-R336 WeakPolarHBondContact OD1-CB 3.24Å; D334-R336 VanDerWaalsContact OD1-CG 3.26Å; D334-R336 WeakPolarHBondContact OD1-CG 3.39Å; D334-R336 IonicContact OD1-CZ 2.79Å; D334-R336 PolarHBondContact OD1-N 2.78Å; D334-R336 IonicContact OD1-NE 3.23Å; D334-R336 PolarHBondContact OD1-NE 3.32Å; D334-R336 IonicContact OD1-NH2 3.72Å; D334-R336 IonicContact OD2-CZ 3.69Å; D334-R336 VanDerWaalsContact OD2-CZ 3.27Å; D334-R336 IonicContact OD2-NE 2.9Å; D334-R336 PolarHBondContact OD2-NE 3.12Å; D334-R336 VanDerWaalsContact OD2-NE 3.12Å; D334-R336 IonicContact OD2-NH2 3.63Å; D334-R336 PolarHBondContact OD2-NH2 2.85Å; R336-A339 PolarHBondContact O-N 3.44Å; R336-N340 WeakPolarHBondContact O-CB 3.44Å; R336-N340 PolarHBondContact O-N 2.86Å; R336-N340 PolarHBondContact O-ND2 3.49Å
337	L	67.4	Low	60.5	Low	10 Å²	10	57.4 Å²	57.4	5%	0.052	31%	0.306	C	S	.	.	H	α-helix	trans	-72.2	-38.8	-175.4	-73.4	171.7	0	0	0	112.6	V291 L303 D334 A339 N340 L341	V291-L337 HydrophobicContact CG1-CB 4.32Å; V291-L337 HydrophobicContact CG1-CD1 4.06Å; V291-L337 HydrophobicContact CG2-CB 3.99Å; L303-L337 HydrophobicContact CD1-CD2 3.95Å; L303-L337 HydrophobicContact CD1-CG 4.27Å; L303-L337 HydrophobicContact CD2-CD2 4.33Å; D334-L337 HydrophobicContact CB-CB 4.46Å; D334-L337 HydrophobicContact CB-CD1 3.79Å; D334-L337 HydrophobicContact CB-CG 3.91Å; D334-L337 PolarHBondContact O-N 3.34Å; D334-L337 VanDerWaalsContact O-N 3.13Å; L337-A339 VanDerWaalsContact C-N 3.32Å; L337-A339 PolarHBondContact O-N 3.46Å; L337-N340 PolarHBondContact O-N 2.73Å; L337-L341 PolarHBondContact O-N 2.69Å; L337-L341 VanDerWaalsContact O-N 3.17Å
338	S	59	Low	59	Low	15 Å²	15	56.7 Å²	56.7	11%	0.105	31%	0.311	C	S	.	.	H	α-helix	trans	-66.9	-34.4	174.9	58.9	0	0	0	0	112	P258 P335	P258-S338 WeakPolarHBondContact CD-O 3.49Å; P335-S338 PolarHBondContact O-OG 3.21Å
339	A	54.3	Low	57.7	Low	56 Å²	56	54.9 Å²	54.9	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-74.6	-32.5	176.5	0	0	0	0	0	114	R336 L337	R336-A339 PolarHBondContact O-N 3.44Å; L337-A339 VanDerWaalsContact C-N 3.32Å; L337-A339 PolarHBondContact O-N 3.46Å
340	N	51.3	Low	55.7	Low	58 Å²	58	62.8 Å²	62.8	31%	0.31	36%	0.361	S	S	.	.	H	α-helix	trans	-105.8	12.2	-173.5	-67.2	-74	0	0	0	114.6	R336 L337 H342 L343 V344	R336-N340 WeakPolarHBondContact O-CB 3.44Å; R336-N340 PolarHBondContact O-N 2.86Å; R336-N340 PolarHBondContact O-ND2 3.49Å; L337-N340 PolarHBondContact O-N 2.73Å; N340-H342 PolarHBondContact O-N 2.86Å; N340-L343 HydrophobicContact CB-CD1 4.46Å; N340-L343 WeakPolarHBondContact O-CB 3.47Å; N340-L343 PolarHBondContact O-N 3.25Å; N340-V344 PolarHBondContact O-N 2.82Å
341	L	50.9	Low	53.5	Low	38 Å²	38	66.4 Å²	66.4	20%	0.199	40%	0.399	C	S	.	.	H	α-helix	trans	-52.8	-33.2	-173.2	-165.8	67.4	0	0	0	114	R290 L337 L343 L345	R290-L341 VanDerWaalsContact O-CD2 3.31Å; R290-L341 WeakPolarHBondContact O-CD2 3.3Å; L337-L341 PolarHBondContact O-N 2.69Å; L337-L341 VanDerWaalsContact O-N 3.17Å; L341-L343 PolarHBondContact O-N 3.16Å; L341-L345 HydrophobicContact CD1-CD1 4.01Å; L341-L345 HydrophobicContact CG-CD1 3.88Å; L341-L345 WeakPolarHBondContact O-CG 3.44Å; L341-L345 PolarHBondContact O-N 3.27Å
342	H	47.3	Very low	51.2	Low	151 Å²	151	71.3 Å²	71.3	70%	0.699	44%	0.436	S	S	*	.	H	α-helix	trans	-71.4	-23.5	177.2	-169.7	-75.5	0	0	0	114	N340	N340-H342 PolarHBondContact O-N 2.86Å
343	L	47.3	Very low	49	Very low	128 Å²	128	81.9 Å²	81.9	67%	0.67	48%	0.475	S	S	*	.	H	α-helix	trans	-83.7	-34.7	176.8	-66.7	171.4	0	0	0	111.6	N340 L341	N340-L343 HydrophobicContact CB-CD1 4.46Å; N340-L343 WeakPolarHBondContact O-CB 3.47Å; N340-L343 PolarHBondContact O-N 3.25Å; L341-L343 PolarHBondContact O-N 3.16Å
344	V	48.7	Very low	46.7	Very low	55 Å²	55	88.5 Å²	88.5	33%	0.333	52%	0.515	S	S	.	.	H	α-helix	trans	-77.6	-28.5	-176.6	-175	0	0	0	0	112.3	L295 N340	L295-V344 HydrophobicContact CD1-CG1 3.71Å; L295-V344 HydrophobicContact CD2-CG1 3.75Å; L295-V344 HydrophobicContact CG-CG1 4.37Å; N340-V344 PolarHBondContact O-N 2.82Å
345	L	49.7	Very low	44.3	Very low	98 Å²	98	92.2 Å²	92.2	51%	0.513	55%	0.547	S	S	.	.	S	Bend	trans	-93.2	-2	-176.4	-66.4	174.5	0	0	0	115.1	L295 L341	L295-L345 HydrophobicContact CD1-CD2 4.19Å; L341-L345 HydrophobicContact CD1-CD1 4.01Å; L341-L345 HydrophobicContact CG-CD1 3.88Å; L341-L345 WeakPolarHBondContact O-CG 3.44Å; L341-L345 PolarHBondContact O-N 3.27Å
346	N	36.6	Very low	43.1	Very low	102 Å²	102	96.6 Å²	96.6	55%	0.545	58%	0.575	S	S	.	*			trans	-135.5	79.3	-173.6	-112.9	-17.7	0	0	0	113.2	S348	N346-S348 PolarHBondContact O-N 3.42Å; N346-S348 VanDerWaalsContact O-N 3.13Å
347	P	35.9	Very low	40.8	Very low	122 Å²	122	103.7 Å²	103.7	79%	0.792	61%	0.614	S	S	*	*			trans	-77.2	92.6	168.9	31.3	-32.4	0	0	0	110.5	S349	P347-S349 PolarHBondContact O-N 3.31Å
348	S	30.4	Very low	38.9	Very low	104 Å²	104	107 Å²	107	73%	0.727	64%	0.639	S	S	*	*			trans	-67.9	95.7	178	-66.8	0	0	0	0	113	N346 N350	N346-S348 PolarHBondContact O-N 3.42Å; N346-S348 VanDerWaalsContact O-N 3.13Å; S348-N350 PolarHBondContact O-N 2.94Å
349	S	38.1	Very low	37.4	Very low	104 Å²	104	114.4 Å²	114.4	73%	0.727	67%	0.671	S	S	*	*			trans	32	87.8	142.2	64.6	0	0	0	0	118.3	P347	P347-S349 PolarHBondContact O-N 3.31Å
350	N	29.2	Very low	36.1	Very low	179 Å²	179	118 Å²	118	96%	0.957	68%	0.683	S	S	*	*			trans	-163	109.9	145.1	-110.2	-15.9	0	0	0	110.5	S348	S348-N350 PolarHBondContact O-N 2.94Å
351	G	29	Very low	34.9	Very low	78 Å²	78	120.2 Å²	120.2	80%	0.804	70%	0.699	S	S	*	*	S	Bend	trans	157.5	92.5	-178.2	0	0	0	0	0	113.6
352	S	28.1	Very low	33.6	Very low	124 Å²	124	124.7 Å²	124.7	87%	0.867	72%	0.723	S	S	*	*			trans	-19.5	132	175.3	-56.1	0	0	0	0	119.4
353	R	27.6	Very low	32.6	Very low	250 Å²	250	125.3 Å²	125.3	94%	0.943	73%	0.73	S	S	*	*			trans	-59	131.3	166.1	-66.2	168.5	164.2	177.7	-7.2	112.3
354	V	28.3	Very low	31.5	Very low	147 Å²	147	123.2 Å²	123.2	89%	0.891	73%	0.726	S	S	*	*			trans	-139.2	132.6	139.9	-176.8	0	0	0	0	107.9
355	A	25.2	Very low	30.4	Very low	87 Å²	87	127.9 Å²	127.9	72%	0.719	75%	0.748	S	S	*	*			trans	-158.3	167.1	174.6	0	0	0	0	0	108.2
356	P	47.6	Very low	29.3	Very low	111 Å²	111	128.6 Å²	128.6	72%	0.721	76%	0.758	S	S	*	*			cis	-117.5	-173.8	-38.7	36.4	-22.9	0	0	0	109.3
357	D	24.9	Very low	29.6	Very low	160 Å²	160	129.3 Å²	129.3	86%	0.856	77%	0.768	S	S	*	*			trans	-144.6	153	139.2	-136.8	-21.9	0	0	0	112.8
358	S	27.4	Very low	29.3	Very low	81 Å²	81	129.2 Å²	129.2	57%	0.566	77%	0.768	S	S	*	*			trans	-124.1	141.4	-162.8	-35.3	0	0	0	0	110.1
359	Q	27.5	Very low	29.1	Very low	169 Å²	169	132.7 Å²	132.7	79%	0.79	78%	0.777	S	S	*	*			trans	-175.5	129.4	137.5	-105.4	156.8	75.3	0	0	113.6
360	N	27.4	Very low	28.6	Very low	132 Å²	132	136 Å²	136	71%	0.706	79%	0.786	S	S	*	*			trans	61.4	140.8	138.1	-63.8	-8.3	0	0	0	120.4
361	T	25.6	Very low	28.4	Very low	105 Å²	105	137.2 Å²	137.2	64%	0.644	78%	0.783	S	S	*	*			cis	-163	143	-3.7	13.6	0	0	0	0	110.4
362	N	24.6	Very low	28.3	Very low	131 Å²	131	141.8 Å²	141.8	70%	0.701	78%	0.783	S	S	*	*			trans	28.8	129	140.8	-58.1	-24.6	0	0	0	120.7
363	L	26.2	Very low	28.1	Very low	164 Å²	164	144 Å²	144	86%	0.859	78%	0.78	S	S	*	*				-159.7	122.7	94	-85.4	150.2	0	0	0	106.6
364	S	23.8	Very low	28.4	Very low	84 Å²	84	137.6 Å²	137.6	59%	0.587	77%	0.771	S	S	*	*				66.6	125.6	69.8	-57.5	0	0	0	0	111.6
365	I	25.1	Very low	28.2	Very low	154 Å²	154	137.6 Å²	137.6	79%	0.79	77%	0.77	S	S	*	*			cis	-157.8	162.2	17.8	-104.3	151.7	0	0	0	109.4
366	P	27.6	Very low	28.3	Very low	113 Å²	113	140.8 Å²	140.8	73%	0.734	78%	0.775	S	S	*	*			trans	-100.3	-154.8	-169.7	46	-40.7	0	0	0	113
367	P	42.5	Very low	27.5	Very low	116 Å²	116	141.4 Å²	141.4	75%	0.753	78%	0.776	S	S	*	*				-114.3	177.8	-120.9	32.4	-11	0	0	0	114.7
368	P	29.1	Very low	27.5	Very low	120 Å²	120	141.8 Å²	141.8	78%	0.779	78%	0.778	S	S	*	*			trans	-138.7	134.5	145.5	30.5	-12.8	0	0	0	116.4
369	L	26.2	Very low	27.8	Very low	177 Å²	177	146.3 Å²	146.3	93%	0.927	79%	0.794	S	S	*	*			trans	1.8	126.8	145.4	-69.8	141.9	0	0	0	118.8
370	L	27.3	Very low	28.1	Very low	173 Å²	173	143 Å²	143	91%	0.906	79%	0.788	S	S	*	*			trans	-94.3	138.6	165.7	-78.5	163.2	0	0	0	112
371	K	25.1	Very low	28.3	Very low	206 Å²	206	145.8 Å²	145.8	90%	0.896	80%	0.797	S	S	*	*			trans	-110.1	163.8	158	-91.8	-175	173.8	-178.1	0	109.4
372	E	27.3	Very low	28.4	Very low	174 Å²	174	148.2 Å²	148.2	81%	0.813	80%	0.801	S	S	*	*			trans	-77.8	172.7	-157.7	-55.1	173.1	133.8	0	0	117
373	Q	23.4	Very low	28.7	Very low	170 Å²	170	145.6 Å²	145.6	79%	0.794	80%	0.798	S	S	*	*			trans	91.7	158.1	159.9	-45.3	-161.4	-5.9	0	0	116.9
374	P	34.1	Very low	29.1	Very low	116 Å²	116	145.8 Å²	145.8	75%	0.753	79%	0.794	S	S	*	*				-131.6	151.7	-91.6	28.8	-7.2	0	0	0	113.9
375	V	24.2	Very low	29.7	Very low	146 Å²	146	144.2 Å²	144.2	89%	0.885	78%	0.783	S	S	*	*			trans	-131.8	121	173.6	-176.9	0	0	0	0	110.8
376	L	27.2	Very low	30.7	Very low	154 Å²	154	142.3 Å²	142.3	81%	0.806	77%	0.773	S	S	*	*			trans	-77.8	157.8	169.7	-90.9	163.7	0	0	0	111
377	T	30	Very low	31.6	Very low	124 Å²	124	139.6 Å²	139.6	76%	0.761	76%	0.755	S	S	*	*			trans	59.9	105.1	165.5	50.5	0	0	0	0	117.6
378	L	25.1	Very low	31.7	Very low	168 Å²	168	134 Å²	134	88%	0.88	72%	0.719	S	S	*	*				-172.9	137.3	104.2	-92	156.1	0	0	0	108.8
379	L	35.3	Very low	32.7	Very low	176 Å²	176	130 Å²	130	92%	0.921	69%	0.693	S	S	*	*			trans	-97.4	125.2	173.6	-76	166.8	0	0	0	109.4
380	P	33.6	Very low	33.7	Very low	101 Å²	101	126.9 Å²	126.9	66%	0.656	67%	0.672	S	S	*	*			trans	-117.5	159.1	157	21.1	-1.8	0	0	0	112.8	E382	P380-E382 PolarHBondContact O-N 2.75Å
381	E	31	Very low	34.3	Very low	189 Å²	189	120.2 Å²	120.2	88%	0.883	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-58.3	15.3	-167.1	-63.3	163.1	124.2	0	0	118.4	A383	E381-A383 VanDerWaalsContact C-N 3.29Å; E381-A383 PolarHBondContact O-N 2.94Å
382	E	27.5	Very low	35.1	Very low	156 Å²	156	117.8 Å²	117.8	73%	0.729	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-73.1	-17.4	-175.5	-62.3	-163.2	152.7	0	0	114.4	P380 E384 C385	P380-E382 PolarHBondContact O-N 2.75Å; E382-E384 VanDerWaalsContact C-N 3.34Å; E382-E384 PolarHBondContact O-N 2.88Å; E382-C385 WeakPolarHBondContact O-CB 3.47Å; E382-C385 PolarHBondContact O-N 3.16Å; E382-C385 VanDerWaalsContact O-N 3.16Å
383	A	31.4	Very low	36.2	Very low	77 Å²	77	116.4 Å²	116.4	64%	0.636	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-63.4	-32.2	-173.5	0	0	0	0	0	114.2	E381 C385	E381-A383 VanDerWaalsContact C-N 3.29Å; E381-A383 PolarHBondContact O-N 2.94Å; A383-C385 VanDerWaalsContact C-N 3.31Å; A383-C385 PolarHBondContact O-N 3.43Å
384	E	35.2	Very low	38	Very low	167 Å²	167	110.7 Å²	110.7	78%	0.78	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-68.5	-31	177.6	-70.6	-160.7	138.9	0	0	112.3	E382 L386 T387	E382-E384 VanDerWaalsContact C-N 3.34Å; E382-E384 PolarHBondContact O-N 2.88Å; E384-L386 PolarHBondContact O-N 3.07Å; E384-T387 PolarHBondContact O-N 3.01Å; E384-T387 PolarHBondContact O-OG1 2.92Å; E384-T387 VanDerWaalsContact O-OG1 3.06Å
385	C	36.2	Very low	39.2	Very low	52 Å²	52	106 Å²	106	35%	0.351	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-69.4	-16.1	-173.3	-164.7	0	0	0	0	113.8	R319 E382 A383	R319-C385 PolarHBondContact NH1-O 3.12Å; E382-C385 WeakPolarHBondContact O-CB 3.47Å; E382-C385 PolarHBondContact O-N 3.16Å; E382-C385 VanDerWaalsContact O-N 3.16Å; A383-C385 VanDerWaalsContact C-N 3.31Å; A383-C385 PolarHBondContact O-N 3.43Å
386	L	44.4	Very low	41.1	Very low	114 Å²	114	102.1 Å²	102.1	60%	0.597	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-97.8	-9.3	178.2	-66.9	174.8	0	0	0	113.8	W286 E384	W286-L386 PolarHBondContact NE1-O 3.41Å; E384-L386 PolarHBondContact O-N 3.07Å
387	T	47.6	Very low	42.9	Very low	55 Å²	55	97.3 Å²	97.3	34%	0.337	51%	0.505	S	S	.	.	S	Bend	trans	-94.2	138.9	-177	65.5	0	0	0	0	112	W286 F332 E384	W286-T387 HydrophobicContact CZ2-CG2 4.16Å; F332-T387 WeakPolarHBondContact CZ-O 3.33Å; E384-T387 PolarHBondContact O-N 3.01Å; E384-T387 PolarHBondContact O-OG1 2.92Å; E384-T387 VanDerWaalsContact O-OG1 3.06Å
388	V	45.3	Very low	45	Very low	0 Å²	0	92.3 Å²	92.3	0%	0	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-64.4	135.6	171.2	-169	0	0	0	0	108.2	Q273 W286 Y321 T330 F332 K390	Q273-V388 HydrophobicContact CB-CB 4.37Å; Q273-V388 HydrophobicContact CG-CB 4.37Å; Q273-V388 WeakPolarHBondContact CG-O 3.26Å; Q273-V388 PolarHBondContact NE2-O 2.62Å; W286-V388 HydrophobicContact CB-CG2 4.38Å; W286-V388 HydrophobicContact CD2-CG2 4.24Å; W286-V388 HydrophobicContact CE3-CG2 3.69Å; W286-V388 HydrophobicContact CZ3-CG2 4.33Å; Y321-V388 HydrophobicContact CD2-CG1 4.15Å; T330-V388 WeakPolarHBondContact OG1-CG1 3.23Å; F332-V388 HydrophobicContact CD2-CB 4.37Å; F332-V388 HydrophobicContact CD2-CG2 3.45Å; F332-V388 VanDerWaalsContact CD2-CG2 3.45Å; F332-V388 HydrophobicContact CE2-CB 4.12Å; F332-V388 HydrophobicContact CE2-CG2 3.59Å; F332-V388 HydrophobicContact CG-CG2 4.02Å; F332-V388 HydrophobicContact CZ-CB 4.36Å; F332-V388 HydrophobicContact CZ-CG2 4.27Å; V388-K390 PolarHBondContact O-N 3.28Å
389	P	49.3	Very low	47.3	Very low	36 Å²	36	84.9 Å²	84.9	23%	0.234	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-56	136.2	174.4	-27.4	36.5	0	0	0	112	T315 Y321 T330	T315-P389 HydrophobicContact CG2-CG 3.68Å; Y321-P389 HydrophobicContact CD1-CG 3.97Å; Y321-P389 HydrophobicContact CD2-CG 4.39Å; Y321-P389 HydrophobicContact CE1-CB 4.22Å; Y321-P389 HydrophobicContact CE1-CG 3.65Å; Y321-P389 HydrophobicContact CE2-CB 3.98Å; Y321-P389 HydrophobicContact CE2-CG 4.1Å; Y321-P389 HydrophobicContact CG-CG 4.32Å; T330-P389 WeakPolarHBondContact CB-O 3.29Å; T330-P389 WeakPolarHBondContact CG2-O 3.46Å; T330-P389 PolarHBondContact OG1-O 2.82Å
390	K	47	Very low	49.3	Very low	111 Å²	111	83.6 Å²	83.6	48%	0.483	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-52.9	140.4	174.8	176.7	171.6	-169.4	177.2	0	111	Q271 V388 K392	Q271-K390 HydrophobicContact CB-CD 4.04Å; Q271-K390 HydrophobicContact CB-CG 4.04Å; Q271-K390 HydrophobicContact CG-CD 4.41Å; V388-K390 PolarHBondContact O-N 3.28Å; K390-K392 PolarHBondContact O-N 2.84Å
391	Y	40.7	Very low	51.6	Low	32 Å²	32	82.4 Å²	82.4	13%	0.125	41%	0.408	C	S	.	.			trans	-55.5	113.2	170.8	176.9	-94.4	0	0	0	110.1	V323 H325 R328 R393	V323-Y391 HydrophobicContact CG1-CD2 3.81Å; V323-Y391 HydrophobicContact CG1-CE2 3.94Å; H325-Y391 AromaticContact ND1-CE2 3.96Å; R328-Y391 HydrophobicContact CB-CD1 4.11Å; R328-Y391 HydrophobicContact CB-CD2 4.37Å; R328-Y391 HydrophobicContact CB-CE1 3.9Å; R328-Y391 HydrophobicContact CB-CE2 4.19Å; R328-Y391 HydrophobicContact CB-CG 4.35Å; R328-Y391 HydrophobicContact CG-CE1 4.18Å; Y391-R393 HydrophobicContact CE1-CG 3.87Å
392	K	42.4	Very low	54.3	Low	155 Å²	155	73.8 Å²	73.8	67%	0.674	37%	0.368	S	S	*	.			trans	-106.9	127.8	173.1	-71	-175	-179.9	-179.1	0	108.6	K390 D394	K390-K392 PolarHBondContact O-N 2.84Å; K392-D394 VanDerWaalsContact C-N 3.26Å; K392-D394 PolarHBondContact O-N 3.37Å
393	R	48.7	Very low	57	Low	145 Å²	145	69.8 Å²	69.8	55%	0.547	35%	0.346	S	S	.	.			trans	-67	88.3	167.2	-73.3	-174.2	178.9	146.8	-3.1	108.8	Y391 L395	Y391-R393 HydrophobicContact CE1-CG 3.87Å; R393-L395 PolarHBondContact O-N 2.85Å
394	D	61.3	Low	59.6	Low	50 Å²	50	71.2 Å²	71.2	27%	0.267	34%	0.339	S	S	.	.			trans	-93.4	77	-178.1	-161.1	-30.2	0	0	0	110.4	R313 K392 V396 Q397 K398	R313-D394 IonicContact NH1-OD2 3.89Å; R313-D394 PolarHBondContact NH1-OD2 2.86Å; K392-D394 VanDerWaalsContact C-N 3.26Å; K392-D394 PolarHBondContact O-N 3.37Å; D394-V396 PolarHBondContact O-N 2.92Å; D394-V396 WeakPolarHBondContact OD1-CB 3.48Å; D394-V396 PolarHBondContact OD1-N 2.81Å; D394-Q397 HydrophobicContact CB-CB 3.94Å; D394-Q397 PolarHBondContact O-N 3.39Å; D394-Q397 VanDerWaalsContact O-N 3.11Å; D394-Q397 WeakPolarHBondContact OD1-CB 3.35Å; D394-Q397 PolarHBondContact OD1-N 3.37Å; D394-K398 WeakPolarHBondContact O-CG 3.49Å; D394-K398 PolarHBondContact O-N 3.39Å
395	L	60.6	Low	62.2	Low	17 Å²	17	66.6 Å²	66.6	9%	0.089	32%	0.318	C	S	.	.	H	α-helix	trans	-58	-29.8	176.3	-179.6	57.7	0	0	0	111.8	R393 K398 L399 F640 E644 L647 I648 L706	R393-L395 PolarHBondContact O-N 2.85Å; L395-K398 PolarHBondContact O-N 3.2Å; L395-L399 WeakPolarHBondContact O-CB 3.47Å; L395-L399 PolarHBondContact O-N 3.06Å; L395-F640 HydrophobicContact CD1-CD1 3.66Å; L395-F640 HydrophobicContact CD1-CE1 3.69Å; L395-E644 HydrophobicContact CB-CG 4.42Å; L395-E644 HydrophobicContact CD1-CB 3.59Å; L395-E644 HydrophobicContact CD1-CG 3.7Å; L395-E644 HydrophobicContact CD2-CB 4.07Å; L395-E644 HydrophobicContact CD2-CG 3.95Å; L395-E644 HydrophobicContact CG-CB 4.4Å; L395-E644 HydrophobicContact CG-CG 4.21Å; L395-L647 HydrophobicContact CD2-CB 4.39Å; L395-L647 HydrophobicContact CD2-CD1 4.08Å; L395-I648 HydrophobicContact CD1-CD1 4.19Å; L395-L706 HydrophobicContact CB-CD2 3.97Å; L395-L706 HydrophobicContact CD2-CD1 3.76Å; L395-L706 HydrophobicContact CD2-CD2 3.36Å; L395-L706 HydrophobicContact CD2-CG 4.18Å; L395-L706 HydrophobicContact CG-CD2 3.39Å
396	V	62.4	Low	64.7	Low	66 Å²	66	64.3 Å²	64.3	40%	0.4	30%	0.302	S	S	.	.	H	α-helix	trans	-63.6	-44.5	175.7	165.7	0	0	0	0	111	D394 K400 L706 Q707	D394-V396 PolarHBondContact O-N 2.92Å; D394-V396 WeakPolarHBondContact OD1-CB 3.48Å; D394-V396 PolarHBondContact OD1-N 2.81Å; V396-K400 PolarHBondContact O-N 3.43Å; V396-K400 VanDerWaalsContact O-N 3.09Å; V396-L706 HydrophobicContact CG2-CD2 4.12Å; V396-Q707 HydrophobicContact CB-CG 4.32Å; V396-Q707 HydrophobicContact CG1-CG 4.01Å; V396-Q707 HydrophobicContact CG2-CG 3.6Å
397	Q	66.3	Low	66.6	Low	53 Å²	53	62.1 Å²	62.1	25%	0.248	30%	0.296	C	S	.	.	H	α-helix	trans	-69	-44.3	175	-174.9	160.6	-4.9	0	0	112.1	E311 R313 D394 L399 K400 I401	E311-Q397 VanDerWaalsContact CD-NE2 3.3Å; E311-Q397 WeakPolarHBondContact OE1-CG 3.44Å; E311-Q397 PolarHBondContact OE1-NE2 3.28Å; R313-Q397 VanDerWaalsContact NH1-OE1 3.07Å; D394-Q397 HydrophobicContact CB-CB 3.94Å; D394-Q397 PolarHBondContact O-N 3.39Å; D394-Q397 VanDerWaalsContact O-N 3.11Å; D394-Q397 WeakPolarHBondContact OD1-CB 3.35Å; D394-Q397 PolarHBondContact OD1-N 3.37Å; Q397-L399 VanDerWaalsContact C-N 3.33Å; Q397-L399 PolarHBondContact O-N 3.12Å; Q397-K400 WeakPolarHBondContact O-CB 3.22Å; Q397-K400 PolarHBondContact O-N 2.91Å; Q397-K400 VanDerWaalsContact O-N 3.14Å; Q397-I401 HydrophobicContact CG-CD1 4.43Å; Q397-I401 WeakPolarHBondContact O-CG1 3.09Å; Q397-I401 PolarHBondContact O-N 3.1Å
398	K	72.8	Confident	68.5	Low	18 Å²	18	65.4 Å²	65.4	8%	0.078	31%	0.308	C	S	.	.	H	α-helix	trans	-56.8	-45.5	174.2	-65.3	179.7	-175.7	-179.5	0	112	D394 L395 K400 I401 L402 A639 F640 E644	D394-K398 WeakPolarHBondContact O-CG 3.49Å; D394-K398 PolarHBondContact O-N 3.39Å; L395-K398 PolarHBondContact O-N 3.2Å; K398-K400 VanDerWaalsContact C-N 3.32Å; K398-K400 PolarHBondContact O-N 3.1Å; K398-I401 PolarHBondContact O-N 3.5Å; K398-L402 PolarHBondContact O-N 3.13Å; K398-A639 WeakPolarHBondContact CE-O 3.24Å; K398-A639 PolarHBondContact NZ-O 2.71Å; K398-F640 HydrophobicContact CB-CD1 4.35Å; K398-F640 HydrophobicContact CB-CE1 3.53Å; K398-F640 HydrophobicContact CB-CZ 3.72Å; K398-F640 HydrophobicContact CD-CD1 4.22Å; K398-F640 HydrophobicContact CD-CE1 4.21Å; K398-E644 IonicContact NZ-OE1 4Å; K398-E644 PolarHBondContact NZ-OE1 2.89Å; K398-E644 IonicContact NZ-OE2 2.89Å; K398-E644 PolarHBondContact NZ-OE2 2.86Å
399	L	74.9	Confident	70.3	Confident	13 Å²	13	68.2 Å²	68.2	7%	0.068	32%	0.321	C	S	.	.	H	α-helix	trans	-65.1	-34.6	178	-179.3	59.7	0	0	0	112.3	L395 Q397 L402 R403 I648	L395-L399 WeakPolarHBondContact O-CB 3.47Å; L395-L399 PolarHBondContact O-N 3.06Å; Q397-L399 VanDerWaalsContact C-N 3.33Å; Q397-L399 PolarHBondContact O-N 3.12Å; L399-L402 HydrophobicContact CD1-CD2 4.44Å; L399-R403 HydrophobicContact CD1-CG 4.29Å; L399-R403 WeakPolarHBondContact O-CB 3.28Å; L399-R403 WeakPolarHBondContact O-CG 3.44Å; L399-R403 PolarHBondContact O-N 3.03Å; L399-I648 HydrophobicContact CD1-CD1 4.45Å; L399-I648 HydrophobicContact CD1-CG1 4.22Å
400	K	76.1	Confident	72	Confident	148 Å²	148	69.7 Å²	69.7	64%	0.643	33%	0.325	S	S	*	.	H	α-helix	trans	-63.9	-44.9	173.8	-174.1	-177.5	175.7	-172.6	0	111.2	V396 Q397 K398 R403 Q404	V396-K400 PolarHBondContact O-N 3.43Å; V396-K400 VanDerWaalsContact O-N 3.09Å; Q397-K400 WeakPolarHBondContact O-CB 3.22Å; Q397-K400 PolarHBondContact O-N 2.91Å; Q397-K400 VanDerWaalsContact O-N 3.14Å; K398-K400 VanDerWaalsContact C-N 3.32Å; K398-K400 PolarHBondContact O-N 3.1Å; K400-R403 PolarHBondContact O-N 2.97Å; K400-Q404 WeakPolarHBondContact O-CB 3.46Å; K400-Q404 PolarHBondContact O-N 3.48Å
401	I	83.5	Confident	73.7	Confident	77 Å²	77	66.8 Å²	66.8	40%	0.395	32%	0.317	S	S	.	.	H	α-helix	trans	-62.7	-49.4	176	-64.2	165.7	0	0	0	110.2	E311 Q397 K398 R403 Q404 E405	E311-I401 WeakPolarHBondContact OE1-CD1 3.48Å; Q397-I401 HydrophobicContact CG-CD1 4.43Å; Q397-I401 WeakPolarHBondContact O-CG1 3.09Å; Q397-I401 PolarHBondContact O-N 3.1Å; K398-I401 PolarHBondContact O-N 3.5Å; I401-R403 PolarHBondContact O-N 3.39Å; I401-Q404 WeakPolarHBondContact O-CB 3.34Å; I401-Q404 PolarHBondContact O-N 3.16Å; I401-Q404 VanDerWaalsContact O-N 3.07Å; I401-E405 HydrophobicContact CG2-CG 4.45Å; I401-E405 PolarHBondContact O-N 2.88Å
402	L	85.8	Confident	75.1	Confident	7 Å²	7	75.3 Å²	75.3	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-55.4	-47.9	177.4	178.6	64.6	0	0	0	112	K398 L399 Q404 E405 L406 L636 L637 F640 I648	K398-L402 PolarHBondContact O-N 3.13Å; L399-L402 HydrophobicContact CD1-CD2 4.44Å; L402-Q404 VanDerWaalsContact C-N 3.32Å; L402-Q404 PolarHBondContact O-N 2.88Å; L402-E405 PolarHBondContact O-N 3.3Å; L402-L406 HydrophobicContact CD1-CD1 3.85Å; L402-L406 HydrophobicContact CD1-CG 4.19Å; L402-L406 HydrophobicContact CG-CD1 3.8Å; L402-L406 HydrophobicContact CG-CG 4.49Å; L402-L406 WeakPolarHBondContact O-CB 3.18Å; L402-L406 WeakPolarHBondContact O-CG 3.16Å; L402-L406 PolarHBondContact O-N 3.45Å; L402-L636 HydrophobicContact CD1-CB 3.79Å; L402-L636 HydrophobicContact CD1-CD1 4.24Å; L402-L637 HydrophobicContact CD1-CD2 4.46Å; L402-L637 HydrophobicContact CD2-CD2 4.35Å; L402-F640 HydrophobicContact CB-CE2 4.32Å; L402-F640 HydrophobicContact CB-CZ 3.94Å; L402-F640 HydrophobicContact CD2-CE2 4.06Å; L402-F640 HydrophobicContact CD2-CZ 3.82Å; L402-F640 HydrophobicContact CG-CZ 4.43Å; L402-I648 HydrophobicContact CD2-CD1 4.47Å
403	R	85.3	Confident	76.6	Confident	73 Å²	73	71.7 Å²	71.7	28%	0.275	36%	0.357	S	S	.	.	H	α-helix	trans	-62.6	-37.9	176.4	-74.8	175.5	175.2	173.4	2.1	112.4	L399 K400 I401 S407	L399-R403 HydrophobicContact CD1-CG 4.29Å; L399-R403 WeakPolarHBondContact O-CB 3.28Å; L399-R403 WeakPolarHBondContact O-CG 3.44Å; L399-R403 PolarHBondContact O-N 3.03Å; K400-R403 PolarHBondContact O-N 2.97Å; I401-R403 PolarHBondContact O-N 3.39Å; R403-S407 VanDerWaalsContact O-CB 3.26Å; R403-S407 WeakPolarHBondContact O-CB 3.4Å; R403-S407 PolarHBondContact O-N 3.03Å; R403-S407 PolarHBondContact O-OG 2.77Å
404	Q	86.3	Confident	78.2	Confident	106 Å²	106	66.6 Å²	66.6	50%	0.495	35%	0.35	S	S	.	.	H	α-helix	trans	-64.6	-46.9	176.7	-179.9	173.3	-18.4	0	0	111.4	K400 I401 L402 S407 Q408	K400-Q404 WeakPolarHBondContact O-CB 3.46Å; K400-Q404 PolarHBondContact O-N 3.48Å; I401-Q404 WeakPolarHBondContact O-CB 3.34Å; I401-Q404 PolarHBondContact O-N 3.16Å; I401-Q404 VanDerWaalsContact O-N 3.07Å; L402-Q404 VanDerWaalsContact C-N 3.32Å; L402-Q404 PolarHBondContact O-N 2.88Å; Q404-S407 PolarHBondContact O-N 3.01Å; Q404-S407 PolarHBondContact O-OG 2.97Å; Q404-Q408 WeakPolarHBondContact O-CG 3.34Å; Q404-Q408 PolarHBondContact O-N 3.42Å; Q404-Q408 VanDerWaalsContact O-N 3.16Å; Q404-Q408 PolarHBondContact O-NE2 2.77Å
405	E	89	Confident	79.2	Confident	70 Å²	70	68.5 Å²	68.5	33%	0.327	36%	0.357	S	S	.	.	H	α-helix	trans	-60.4	-47.5	175.3	-69.6	-59	128.1	0	0	112.2	I401 L402 S407 Q408 Q409 L636	I401-E405 HydrophobicContact CG2-CG 4.45Å; I401-E405 PolarHBondContact O-N 2.88Å; L402-E405 PolarHBondContact O-N 3.3Å; E405-S407 VanDerWaalsContact C-N 3.34Å; E405-S407 PolarHBondContact O-N 2.94Å; E405-Q408 WeakPolarHBondContact O-CB 3.16Å; E405-Q408 PolarHBondContact O-N 3.45Å; E405-Q408 PolarHBondContact OE1-NE2 3.09Å; E405-Q409 PolarHBondContact O-N 3.45Å; E405-L636 HydrophobicContact CB-CD1 4.35Å; E405-L636 HydrophobicContact CB-CD2 4.02Å; E405-L636 HydrophobicContact CG-CD2 4.11Å
406	L	88.7	Confident	80.5	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-64.5	-37.7	178.6	-65	169.2	0	0	0	111.9	L402 Q408 Q409 Q410 F518 I632 L636	L402-L406 HydrophobicContact CD1-CD1 3.85Å; L402-L406 HydrophobicContact CD1-CG 4.19Å; L402-L406 HydrophobicContact CG-CD1 3.8Å; L402-L406 HydrophobicContact CG-CG 4.49Å; L402-L406 WeakPolarHBondContact O-CB 3.18Å; L402-L406 WeakPolarHBondContact O-CG 3.16Å; L402-L406 PolarHBondContact O-N 3.45Å; L406-Q408 VanDerWaalsContact C-N 3.3Å; L406-Q408 PolarHBondContact O-N 3.37Å; L406-Q409 PolarHBondContact O-N 3Å; L406-Q409 VanDerWaalsContact O-N 3.12Å; L406-Q410 PolarHBondContact O-N 2.85Å; L406-Q410 VanDerWaalsContact O-N 3.1Å; L406-F518 HydrophobicContact CB-CD2 4.43Å; L406-F518 HydrophobicContact CB-CE2 4.29Å; L406-F518 HydrophobicContact CD2-CD2 3.83Å; L406-F518 HydrophobicContact CD2-CE2 4.01Å; L406-I632 HydrophobicContact CD1-CD1 4.03Å; L406-I632 HydrophobicContact CD2-CD1 3.78Å; L406-L636 HydrophobicContact CD2-CD1 3.87Å; L406-L636 HydrophobicContact CG-CD1 4.4Å
407	S	85.1	Confident	81.8	Confident	68 Å²	68	72.9 Å²	72.9	48%	0.476	37%	0.365	S	S	.	.	H	α-helix	trans	-66.1	-28.4	175.8	73.9	0	0	0	0	113.7	R403 Q404 E405 Q409 Q410	R403-S407 VanDerWaalsContact O-CB 3.26Å; R403-S407 WeakPolarHBondContact O-CB 3.4Å; R403-S407 PolarHBondContact O-N 3.03Å; R403-S407 PolarHBondContact O-OG 2.77Å; Q404-S407 PolarHBondContact O-N 3.01Å; Q404-S407 PolarHBondContact O-OG 2.97Å; E405-S407 VanDerWaalsContact C-N 3.34Å; E405-S407 PolarHBondContact O-N 2.94Å; S407-Q409 VanDerWaalsContact C-N 3.34Å; S407-Q410 PolarHBondContact O-N 3.17Å
408	Q	86.2	Confident	82.9	Confident	125 Å²	125	70.4 Å²	70.4	58%	0.584	35%	0.354	S	S	*	.	H	α-helix	trans	-72.6	-28.9	172.6	-70.3	171.7	65.4	0	0	112.2	Q404 E405 L406	Q404-Q408 WeakPolarHBondContact O-CG 3.34Å; Q404-Q408 PolarHBondContact O-N 3.42Å; Q404-Q408 VanDerWaalsContact O-N 3.16Å; Q404-Q408 PolarHBondContact O-NE2 2.77Å; E405-Q408 WeakPolarHBondContact O-CB 3.16Å; E405-Q408 PolarHBondContact O-N 3.45Å; E405-Q408 PolarHBondContact OE1-NE2 3.09Å; L406-Q408 VanDerWaalsContact C-N 3.3Å; L406-Q408 PolarHBondContact O-N 3.37Å
409	Q	83.7	Confident	83.7	Confident	59 Å²	59	73.3 Å²	73.3	28%	0.276	37%	0.368	S	S	.	.	H	α-helix	trans	-81.1	-17.7	175.8	-63.9	-179.2	13.7	0	0	113	E405 L406 S407 P411	E405-Q409 PolarHBondContact O-N 3.45Å; L406-Q409 PolarHBondContact O-N 3Å; L406-Q409 VanDerWaalsContact O-N 3.12Å; S407-Q409 VanDerWaalsContact C-N 3.34Å; Q409-P411 WeakPolarHBondContact O-CD 3.5Å
410	Q	84.3	Confident	84.4	Confident	67 Å²	67	72.7 Å²	72.7	31%	0.313	36%	0.364	S	S	.	.	S	Bend	trans	-68.5	121.5	178.5	177.7	154.7	61.3	0	0	111.7	L406 S407 Q412 W442 F518	L406-Q410 PolarHBondContact O-N 2.85Å; L406-Q410 VanDerWaalsContact O-N 3.1Å; S407-Q410 PolarHBondContact O-N 3.17Å; Q410-Q412 PolarHBondContact O-N 3.22Å; Q410-W442 WeakPolarHBondContact CG-O 3.37Å; Q410-W442 PolarHBondContact NE2-O 3.03Å; Q410-W442 VanDerWaalsContact NE2-O 3.13Å; Q410-F518 HydrophobicContact CB-CE1 4.25Å; Q410-F518 HydrophobicContact CB-CZ 4.15Å
411	P	83.6	Confident	84.9	Confident	49 Å²	49	66.6 Å²	66.6	32%	0.318	34%	0.34	S	S	.	.			trans	-62.9	131.2	176.6	-22.1	33.6	0	0	0	111.9	Q409 A413 K443	Q409-P411 WeakPolarHBondContact O-CD 3.5Å; P411-A413 PolarHBondContact O-N 3.38Å; P411-A413 VanDerWaalsContact O-N 3.15Å; P411-K443 HydrophobicContact CB-CG 4.4Å; P411-K443 HydrophobicContact CG-CG 4.17Å
412	Q	70.8	Confident	84.8	Confident	211 Å²	211	65.9 Å²	65.9	99%	0.986	33%	0.333	S	S	*	.	S	Bend	trans	-67.1	-13	-179.6	-65.3	-167.9	-1.6	0	0	114.5	Q410	Q410-Q412 PolarHBondContact O-N 3.22Å
413	A	74.1	Confident	84.5	Confident	79 Å²	79	74 Å²	74	65%	0.653	37%	0.37	S	S	*	.	S	Bend	trans	-131.7	139.2	-177.3	0	0	0	0	0	112.7	P411	P411-A413 PolarHBondContact O-N 3.38Å; P411-A413 VanDerWaalsContact O-N 3.15Å
414	G	80.4	Confident	84.3	Confident	38 Å²	38	75.1 Å²	75.1	39%	0.392	38%	0.379	S	S	.	.			trans	97.2	164.1	178.1	0	0	0	0	0	114.1
415	H	84.1	Confident	84.2	Confident	90 Å²	90	70.5 Å²	70.5	42%	0.417	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.5	-176.9	-56.8	-74.9	0	0	0	110.2	R417 R444 M446	H415-R417 HydrophobicContact CB-CG 4.04Å; H415-R417 PolarHBondContact O-N 3.2Å; H415-R444 CarbonylContact C-O 3.55Å; H415-R444 WeakPolarHBondContact CA-O 3.49Å; H415-M446 HydrophobicContact CB-CB 4.41Å
416	C	87.1	Confident	84.1	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.02	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	95.9	164.5	-176.6	0	0	0	0	106.9	D440 K443 R444 L445 M446	C416-D440 WeakPolarHBondContact CB-O 3.25Å; C416-K443 HydrophobicContact CB-CB 4.21Å; C416-R444 PolarHBondContact N-O 3.23Å; C416-L445 HydrophobicContact CB-CD1 4.13Å; C416-M446 PolarHBondContact O-N 3.17Å
417	R	88.7	Confident	83.8	Confident	173 Å²	173	69.6 Å²	69.6	65%	0.653	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.7	-179	-69.4	-179.5	179.6	157	-0.1	110.1	H415 M436 M446	H415-R417 HydrophobicContact CB-CG 4.04Å; H415-R417 PolarHBondContact O-N 3.2Å; R417-M436 WeakPolarHBondContact O-CE 3.38Å; R417-M446 WeakPolarHBondContact CA-O 3.04Å; R417-M446 HydrophobicContact CG-CB 4.37Å; R417-M446 HydrophobicContact CG-SD 4.47Å
418	I	89.7	Confident	83.9	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.7	175.1	-64.2	172	0	0	0	107	V420 V433 M436 L445 M446 I447 K448 W464 M515	I418-V420 HydrophobicContact CG2-CG1 3.77Å; I418-V433 HydrophobicContact CD1-CG2 3.75Å; I418-M436 HydrophobicContact CG1-CE 3.78Å; I418-L445 HydrophobicContact CD1-CD1 4.09Å; I418-M446 PolarHBondContact N-O 2.86Å; I418-M446 VanDerWaalsContact N-O 3.17Å; I418-I447 HydrophobicContact CB-CD1 3.71Å; I418-I447 HydrophobicContact CD1-CD1 4.01Å; I418-I447 HydrophobicContact CG1-CD1 4.28Å; I418-I447 HydrophobicContact CG2-CD1 4.24Å; I418-I447 WeakPolarHBondContact O-CA 3.4Å; I418-K448 PolarHBondContact O-N 3.32Å; I418-W464 HydrophobicContact CD1-CH2 3.96Å; I418-W464 HydrophobicContact CD1-CZ2 3.96Å; I418-M515 HydrophobicContact CD1-CE 4.31Å
419	E	89.6	Confident	84.1	Confident	78 Å²	78	61.4 Å²	61.4	36%	0.364	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.5	179.4	-179.5	166.1	-158	0	0	109.7	Q432 K448	E419-Q432 PolarHBondContact O-NE2 2.87Å; E419-K448 VanDerWaalsContact CA-O 3.31Å; E419-K448 WeakPolarHBondContact CA-O 3.39Å; E419-K448 HydrophobicContact CG-CB 4.45Å; E419-K448 HydrophobicContact CG-CD 4.37Å; E419-K448 WeakPolarHBondContact OE1-CE 3.27Å; E419-K448 IonicContact OE1-NZ 3.04Å; E419-K448 PolarHBondContact OE1-NZ 3.46Å
420	V	90	Very high	84.4	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.7	-169.6	-70.7	0	0	0	0	112.6	I418 E428 I447 K448 F449 R450	I418-V420 HydrophobicContact CG2-CG1 3.77Å; V420-E428 WeakPolarHBondContact CA-OE2 3.34Å; V420-E428 HydrophobicContact CB-CB 4.35Å; V420-E428 HydrophobicContact CG1-CB 3.85Å; V420-I447 HydrophobicContact CG2-CG2 4.28Å; V420-K448 PolarHBondContact N-O 3.44Å; V420-F449 HydrophobicContact CG2-CD1 3.9Å; V420-F449 HydrophobicContact CG2-CE1 3.81Å; V420-F449 CarbonylContact O-C 3.58Å; V420-F449 VanDerWaalsContact O-CA 3.26Å; V420-F449 WeakPolarHBondContact O-CA 3.36Å; V420-R450 PolarHBondContact O-N 3.34Å
421	S	87.1	Confident	84.7	Confident	20 Å²	20	61.7 Å²	61.7	14%	0.14	30%	0.303	C	S	.	.			trans	-80	151.7	162.9	-176.1	0	0	0	0	110.8	E423 I425 E428	S421-E423 VanDerWaalsContact C-N 3.27Å; S421-E423 PolarHBondContact OG-N 3.28Å; S421-E423 VanDerWaalsContact OG-N 3.16Å; S421-I425 WeakPolarHBondContact O-CA 3.47Å; S421-I425 PolarHBondContact O-N 3.14Å; S421-E428 PolarHBondContact N-OE2 3.26Å
422	R	82.3	Confident	85.2	Confident	63 Å²	63	61.7 Å²	61.7	24%	0.238	30%	0.299	C	S	.	.	S	Bend	trans	-66.8	-30.8	167	-68	-176.4	-179.6	-90.9	-12.4	111.9	F449 E452 E463 C766 G767	R422-F449 HydrophobicContact CG-CD1 3.76Å; R422-F449 HydrophobicContact CG-CE1 3.99Å; R422-F449 HydrophobicContact CG-CG 4.3Å; R422-E452 WeakPolarHBondContact CD-OE1 3.48Å; R422-E452 IonicContact CZ-OE1 2.89Å; R422-E452 IonicContact CZ-OE2 3.06Å; R422-E452 IonicContact NE-OE1 3.58Å; R422-E452 PolarHBondContact NE-OE1 3.34Å; R422-E452 IonicContact NE-OE2 3.93Å; R422-E452 PolarHBondContact NE-OE2 3.12Å; R422-E452 IonicContact NH2-OE1 2.67Å; R422-E452 IonicContact NH2-OE2 3.4Å; R422-E452 PolarHBondContact NH2-OE2 3.19Å; R422-E463 IonicContact CZ-OE1 3.35Å; R422-E463 IonicContact CZ-OE2 2.72Å; R422-E463 VanDerWaalsContact NH1-CD 3.33Å; R422-E463 IonicContact NH1-OE1 3.87Å; R422-E463 PolarHBondContact NH1-OE1 3.23Å; R422-E463 IonicContact NH1-OE2 3.23Å; R422-E463 IonicContact NH2-OE1 2.85Å; R422-E463 PolarHBondContact NH2-OE1 3.34Å; R422-E463 IonicContact NH2-OE2 3.83Å; R422-E463 PolarHBondContact NH2-OE2 2.79Å; R422-C766 PolarHBondContact NH1-O 3.42Å; R422-G767 VanDerWaalsContact CZ-CA 3.5Å; R422-G767 VanDerWaalsContact NH1-CA 3.31Å
423	E	78.9	Confident	86.3	Confident	177 Å²	177	51.7 Å²	51.7	83%	0.827	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-37.3	-176.2	-58.4	176.3	153	0	0	113.4	S421	S421-E423 VanDerWaalsContact C-N 3.27Å; S421-E423 PolarHBondContact OG-N 3.28Å; S421-E423 VanDerWaalsContact OG-N 3.16Å
424	E	79.7	Confident	87.2	Confident	97 Å²	97	50 Å²	50	45%	0.453	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	34.2	179.9	-70.8	-161.7	-177.2	0	0	111.9	F426 E427 E428 R431	E424-F426 VanDerWaalsContact C-N 3.29Å; E424-F426 PolarHBondContact O-N 3.14Å; E424-E427 PolarHBondContact O-N 2.84Å; E424-E428 HydrophobicContact CB-CG 4.06Å; E424-E428 PolarHBondContact O-N 2.89Å; E424-R431 IonicContact OE2-CZ 3.44Å; E424-R431 IonicContact OE2-NH1 3.75Å; E424-R431 PolarHBondContact OE2-NH1 2.84Å; E424-R431 IonicContact OE2-NH2 2.81Å; E424-R431 PolarHBondContact OE2-NH2 3.15Å
425	I	86.1	Confident	87.8	Confident	9 Å²	9	56.6 Å²	56.6	5%	0.046	25%	0.249	C	C	.	.	H	α-helix	trans	-55.5	-41.5	-169.5	-170.1	176.1	0	0	0	113.2	S421 S429 F449 L467 L468 E471	S421-I425 WeakPolarHBondContact O-CA 3.47Å; S421-I425 PolarHBondContact O-N 3.14Å; I425-S429 WeakPolarHBondContact O-CB 3.37Å; I425-S429 PolarHBondContact O-N 3.5Å; I425-S429 VanDerWaalsContact O-N 3.13Å; I425-S429 PolarHBondContact O-OG 2.57Å; I425-F449 HydrophobicContact CD1-CE1 4.21Å; I425-F449 HydrophobicContact CD1-CZ 4.48Å; I425-L467 HydrophobicContact CD1-CB 3.4Å; I425-L467 VanDerWaalsContact CD1-CB 3.4Å; I425-L467 HydrophobicContact CD1-CD1 4.2Å; I425-L467 HydrophobicContact CD1-CG 4.46Å; I425-L468 HydrophobicContact CD1-CB 4.35Å; I425-E471 HydrophobicContact CG2-CG 3.94Å
426	F	85	Confident	88.1	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-55	-179.7	-178.6	-111.6	0	0	0	112.1	E424 S429 Y430 L468 E471 M472 Y477 L479 Y505 F508	E424-F426 VanDerWaalsContact C-N 3.29Å; E424-F426 PolarHBondContact O-N 3.14Å; F426-S429 PolarHBondContact O-N 2.91Å; F426-Y430 WeakPolarHBondContact O-CB 3.48Å; F426-Y430 PolarHBondContact O-N 3.39Å; F426-L468 HydrophobicContact CB-CD1 4.34Å; F426-L468 HydrophobicContact CD2-CD1 3.94Å; F426-E471 HydrophobicContact CB-CB 3.96Å; F426-E471 HydrophobicContact CD2-CB 4.48Å; F426-E471 HydrophobicContact CG-CB 4.47Å; F426-M472 HydrophobicContact CD2-CB 3.87Å; F426-M472 HydrophobicContact CE2-CB 3.51Å; F426-Y477 HydrophobicContact CD1-CD1 4.36Å; F426-Y477 AromaticContact CD1-CE1 3.88Å; F426-Y477 HydrophobicContact CD1-CE1 3.88Å; F426-Y477 HydrophobicContact CE1-CD1 4.15Å; F426-Y477 HydrophobicContact CE1-CE1 4.14Å; F426-L479 HydrophobicContact CZ-CD1 4.23Å; F426-Y505 AromaticContact CE1-CD1 3.71Å; F426-Y505 HydrophobicContact CE1-CD1 3.71Å; F426-Y505 AromaticContact CE1-CE1 3.54Å; F426-Y505 HydrophobicContact CE1-CE1 3.54Å; F426-Y505 AromaticContact CZ-CD1 3.5Å; F426-Y505 HydrophobicContact CZ-CD1 3.5Å; F426-Y505 VanDerWaalsContact CZ-CD1 3.5Å; F426-Y505 AromaticContact CZ-CE1 3.85Å; F426-Y505 HydrophobicContact CZ-CE1 3.85Å; F426-Y505 HydrophobicContact CZ-CG 4.34Å; F426-F508 HydrophobicContact CD2-CE1 4.11Å; F426-F508 HydrophobicContact CE2-CD1 4.22Å; F426-F508 AromaticContact CE2-CE1 3.79Å; F426-F508 HydrophobicContact CE2-CE1 3.79Å
427	E	82.6	Confident	88.3	Confident	51 Å²	51	62 Å²	62	24%	0.238	27%	0.268	C	S	.	.	H	α-helix	trans	-68	-43.6	-176.3	-77.9	-65.8	148.2	0	0	113.3	E424 S429 Y430 R431 Y505	E424-E427 PolarHBondContact O-N 2.84Å; E427-S429 VanDerWaalsContact C-N 3.32Å; E427-S429 PolarHBondContact O-N 2.63Å; E427-Y430 PolarHBondContact O-N 3.09Å; E427-R431 WeakPolarHBondContact O-CB 3.43Å; E427-R431 WeakPolarHBondContact O-CG 3.48Å; E427-R431 PolarHBondContact O-N 3.01Å; E427-R431 PolarHBondContact O-NE 2.62Å; E427-R431 IonicContact OE2-NE 2.85Å; E427-R431 IonicContact OE2-NH2 2.7Å; E427-Y505 PolarHBondContact OE1-OH 3.49Å
428	E	88.2	Confident	88.3	Confident	21 Å²	21	55.5 Å²	55.5	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-68.3	-32.6	177	-72.5	-162.4	144.2	0	0	112.2	V420 S421 E424 Q432 R450	V420-E428 WeakPolarHBondContact CA-OE2 3.34Å; V420-E428 HydrophobicContact CB-CB 4.35Å; V420-E428 HydrophobicContact CG1-CB 3.85Å; S421-E428 PolarHBondContact N-OE2 3.26Å; E424-E428 HydrophobicContact CB-CG 4.06Å; E424-E428 PolarHBondContact O-N 2.89Å; E428-Q432 WeakPolarHBondContact O-CG 3.38Å; E428-Q432 PolarHBondContact O-N 3.38Å; E428-Q432 PolarHBondContact O-NE2 3.48Å; E428-R450 VanDerWaalsContact CD-NH2 3.34Å; E428-R450 IonicContact OE1-CZ 3.84Å; E428-R450 IonicContact OE1-NH1 3.31Å; E428-R450 PolarHBondContact OE1-NH1 3.21Å; E428-R450 IonicContact OE1-NH2 3.61Å; E428-R450 PolarHBondContact OE1-NH2 3.19Å; E428-R450 IonicContact OE2-CZ 3.94Å; E428-R450 IonicContact OE2-NH1 2.9Å; E428-R450 IonicContact OE2-NH2 3.66Å; E428-R450 PolarHBondContact OE2-NH2 2.88Å
429	S	90.9	Very high	88.3	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.3	-46.7	173	-61.1	0	0	0	0	111.6	I425 F426 E427 R431 Q432 V433 W464	I425-S429 WeakPolarHBondContact O-CB 3.37Å; I425-S429 PolarHBondContact O-N 3.5Å; I425-S429 VanDerWaalsContact O-N 3.13Å; I425-S429 PolarHBondContact O-OG 2.57Å; F426-S429 PolarHBondContact O-N 2.91Å; E427-S429 VanDerWaalsContact C-N 3.32Å; E427-S429 PolarHBondContact O-N 2.63Å; S429-R431 PolarHBondContact O-N 3.09Å; S429-Q432 PolarHBondContact O-N 2.95Å; S429-V433 WeakPolarHBondContact O-CB 3.39Å; S429-V433 WeakPolarHBondContact O-CG2 3.32Å; S429-V433 PolarHBondContact O-N 2.93Å; S429-W464 PolarHBondContact OG-NE1 3.21Å
430	Y	90.1	Very high	88.3	Confident	31 Å²	31	60 Å²	60	12%	0.122	27%	0.268	C	S	.	.	H	α-helix	trans	-53.8	-53.9	176	168.3	-113.3	0	0	0	111.3	F426 E427 Q432 M434 S504 Y505 F508	F426-Y430 WeakPolarHBondContact O-CB 3.48Å; F426-Y430 PolarHBondContact O-N 3.39Å; E427-Y430 PolarHBondContact O-N 3.09Å; Y430-Q432 PolarHBondContact O-N 2.94Å; Y430-Q432 VanDerWaalsContact O-N 3.17Å; Y430-M434 HydrophobicContact CD2-CG 3.65Å; Y430-M434 HydrophobicContact CE2-CE 4.45Å; Y430-M434 HydrophobicContact CE2-CG 3.63Å; Y430-M434 VanDerWaalsContact O-CB 3.31Å; Y430-M434 WeakPolarHBondContact O-CB 3.45Å; Y430-M434 VanDerWaalsContact O-CG 3.27Å; Y430-M434 WeakPolarHBondContact O-CG 3.26Å; Y430-M434 PolarHBondContact O-N 2.97Å; Y430-M434 VanDerWaalsContact O-N 3.11Å; Y430-S504 VanDerWaalsContact OH-CB 3.28Å; Y430-S504 WeakPolarHBondContact OH-CB 3.37Å; Y430-S504 PolarHBondContact OH-OG 3.42Å; Y430-Y505 AromaticContact CD1-CE1 3.78Å; Y430-Y505 HydrophobicContact CD1-CE1 3.78Å; Y430-Y505 AromaticContact CD2-CD1 3.9Å; Y430-Y505 HydrophobicContact CD2-CD1 3.9Å; Y430-Y505 AromaticContact CD2-CE1 4Å; Y430-Y505 HydrophobicContact CD2-CE1 4Å; Y430-Y505 AromaticContact CE1-CE1 3.94Å; Y430-Y505 HydrophobicContact CE1-CE1 3.94Å; Y430-Y505 HydrophobicContact CE2-CD1 4.01Å; Y430-Y505 HydrophobicContact CE2-CE1 4.15Å; Y430-Y505 HydrophobicContact CG-CD1 4.17Å; Y430-Y505 AromaticContact CG-CE1 3.83Å; Y430-Y505 HydrophobicContact CG-CE1 3.83Å; Y430-F508 HydrophobicContact CD2-CB 3.71Å; Y430-F508 HydrophobicContact CD2-CD1 4Å; Y430-F508 HydrophobicContact CD2-CD2 4.27Å; Y430-F508 AromaticContact CD2-CG 3.74Å; Y430-F508 HydrophobicContact CD2-CG 3.74Å; Y430-F508 HydrophobicContact CE2-CB 4.16Å
431	R	89.6	Confident	88.3	Confident	100 Å²	100	60 Å²	60	38%	0.377	27%	0.268	S	S	.	.	H	α-helix	trans	-60.1	-27.5	-179.7	-67.7	174.5	-137.2	144.2	-8.1	113.5	E424 E427 S429 K435	E424-R431 IonicContact OE2-CZ 3.44Å; E424-R431 IonicContact OE2-NH1 3.75Å; E424-R431 PolarHBondContact OE2-NH1 2.84Å; E424-R431 IonicContact OE2-NH2 2.81Å; E424-R431 PolarHBondContact OE2-NH2 3.15Å; E427-R431 WeakPolarHBondContact O-CB 3.43Å; E427-R431 WeakPolarHBondContact O-CG 3.48Å; E427-R431 PolarHBondContact O-N 3.01Å; E427-R431 PolarHBondContact O-NE 2.62Å; E427-R431 IonicContact OE2-NE 2.85Å; E427-R431 IonicContact OE2-NH2 2.7Å; S429-R431 PolarHBondContact O-N 3.09Å; R431-K435 WeakPolarHBondContact O-CD 3.31Å; R431-K435 VanDerWaalsContact O-CE 3.26Å; R431-K435 WeakPolarHBondContact O-CE 3.38Å; R431-K435 VanDerWaalsContact O-CG 3.26Å; R431-K435 WeakPolarHBondContact O-CG 3.36Å
432	Q	93.4	Very high	88.5	Confident	50 Å²	50	61.3 Å²	61.3	23%	0.234	27%	0.27	C	S	.	.	H	α-helix	trans	-87.7	-54.9	179.4	-76.6	175	84.9	0	0	112.1	E419 E428 S429 Y430 M434 K435 M436	E419-Q432 PolarHBondContact O-NE2 2.87Å; E428-Q432 WeakPolarHBondContact O-CG 3.38Å; E428-Q432 PolarHBondContact O-N 3.38Å; E428-Q432 PolarHBondContact O-NE2 3.48Å; S429-Q432 PolarHBondContact O-N 2.95Å; Y430-Q432 PolarHBondContact O-N 2.94Å; Y430-Q432 VanDerWaalsContact O-N 3.17Å; Q432-M434 VanDerWaalsContact C-N 3.28Å; Q432-M434 PolarHBondContact O-N 3.19Å; Q432-K435 PolarHBondContact O-N 3.17Å; Q432-K435 VanDerWaalsContact O-N 3.14Å; Q432-M436 HydrophobicContact CB-CE 4.48Å; Q432-M436 WeakPolarHBondContact O-CG 3.31Å; Q432-M436 PolarHBondContact O-N 3.07Å
433	V	94	Very high	88.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-34.2	-175.9	172.9	0	0	0	0	111.9	I418 S429 M436 L441 F508 R511 I512 M515	I418-V433 HydrophobicContact CD1-CG2 3.75Å; S429-V433 WeakPolarHBondContact O-CB 3.39Å; S429-V433 WeakPolarHBondContact O-CG2 3.32Å; S429-V433 PolarHBondContact O-N 2.93Å; V433-M436 PolarHBondContact O-N 2.88Å; V433-L441 HydrophobicContact CG1-CD1 4.45Å; V433-L441 HydrophobicContact CG1-CD2 4.22Å; V433-F508 HydrophobicContact CB-CD2 3.97Å; V433-F508 HydrophobicContact CB-CE2 3.77Å; V433-F508 HydrophobicContact CG1-CD2 3.99Å; V433-F508 HydrophobicContact CG1-CE2 4.1Å; V433-F508 HydrophobicContact CG2-CE2 4.08Å; V433-R511 HydrophobicContact CG1-CB 4.11Å; V433-R511 PolarHBondContact O-NH1 3.17Å; V433-I512 HydrophobicContact CG1-CD1 4.3Å; V433-I512 HydrophobicContact CG2-CD1 4.11Å; V433-M515 HydrophobicContact CG1-SD 4.18Å
434	M	93.2	Very high	89.2	Confident	44 Å²	44	58.2 Å²	58.2	22%	0.217	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-27.3	178.3	-65.9	-62.5	-76.3	0	0	113.5	Y430 Q432 M436 S504 H507 F508 R511	Y430-M434 HydrophobicContact CD2-CG 3.65Å; Y430-M434 HydrophobicContact CE2-CE 4.45Å; Y430-M434 HydrophobicContact CE2-CG 3.63Å; Y430-M434 VanDerWaalsContact O-CB 3.31Å; Y430-M434 WeakPolarHBondContact O-CB 3.45Å; Y430-M434 VanDerWaalsContact O-CG 3.27Å; Y430-M434 WeakPolarHBondContact O-CG 3.26Å; Y430-M434 PolarHBondContact O-N 2.97Å; Y430-M434 VanDerWaalsContact O-N 3.11Å; Q432-M434 VanDerWaalsContact C-N 3.28Å; Q432-M434 PolarHBondContact O-N 3.19Å; M434-M436 VanDerWaalsContact C-N 3.35Å; M434-S504 WeakPolarHBondContact CE-OG 3.4Å; M434-H507 HydrophobicContact CE-CB 4.12Å; M434-H507 VanDerWaalsContact CE-ND1 3.27Å; M434-H507 WeakPolarHBondContact CE-ND1 3.39Å; M434-F508 HydrophobicContact CG-CB 4.02Å; M434-F508 HydrophobicContact CG-CD2 4.27Å; M434-F508 HydrophobicContact SD-CB 3.66Å; M434-F508 HydrophobicContact SD-CD2 4.48Å; M434-R511 PolarHBondContact O-NH1 2.91Å
435	K	92.9	Very high	89.5	Confident	177 Å²	177	54.1 Å²	54.1	77%	0.77	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-21.8	173.4	-69.3	176.1	-169.6	171.9	0	112.8	R431 Q432	R431-K435 WeakPolarHBondContact O-CD 3.31Å; R431-K435 VanDerWaalsContact O-CE 3.26Å; R431-K435 WeakPolarHBondContact O-CE 3.38Å; R431-K435 VanDerWaalsContact O-CG 3.26Å; R431-K435 WeakPolarHBondContact O-CG 3.36Å; Q432-K435 PolarHBondContact O-N 3.17Å; Q432-K435 VanDerWaalsContact O-N 3.14Å
436	M	91.9	Very high	89.5	Confident	39 Å²	39	56.7 Å²	56.7	19%	0.192	25%	0.245	C	C	.	.	S	Bend	trans	-74.8	148.9	177.7	-66.4	-175.6	-164.5	0	0	111.6	R417 I418 Q432 V433 M434 D440 L441 R511	R417-M436 WeakPolarHBondContact O-CE 3.38Å; I418-M436 HydrophobicContact CG1-CE 3.78Å; Q432-M436 HydrophobicContact CB-CE 4.48Å; Q432-M436 WeakPolarHBondContact O-CG 3.31Å; Q432-M436 PolarHBondContact O-N 3.07Å; V433-M436 PolarHBondContact O-N 2.88Å; M434-M436 VanDerWaalsContact C-N 3.35Å; M436-D440 HydrophobicContact CB-CB 4.46Å; M436-L441 HydrophobicContact CB-CD2 3.73Å; M436-L441 HydrophobicContact CB-CG 4.37Å; M436-L441 HydrophobicContact CG-CD2 4.36Å; M436-L441 HydrophobicContact SD-CD2 3.76Å; M436-R511 PolarHBondContact O-NH1 2.88Å
437	R	90.9	Very high	89.7	Confident	167 Å²	167	56.6 Å²	56.6	63%	0.63	25%	0.245	S	C	*	.			trans	-85.4	154.1	170.9	-55.4	170.6	-60.9	-177.6	2	109	K439 D440 L441	R437-K439 VanDerWaalsContact C-N 3.29Å; R437-K439 PolarHBondContact O-N 3.42Å; R437-K439 VanDerWaalsContact O-N 3.15Å; R437-D440 IonicContact CZ-OD2 3.66Å; R437-D440 VanDerWaalsContact CZ-OD2 3.3Å; R437-D440 IonicContact NE-OD2 3.29Å; R437-D440 PolarHBondContact NE-OD2 3Å; R437-D440 IonicContact NH2-OD1 2.66Å; R437-D440 PolarHBondContact NH2-OD1 3.48Å; R437-D440 IonicContact NH2-OD2 3.93Å; R437-D440 PolarHBondContact NH2-OD2 3.2Å; R437-D440 WeakPolarHBondContact O-CA 3.36Å; R437-D440 WeakPolarHBondContact O-CB 3.3Å; R437-D440 PolarHBondContact O-N 3.46Å; R437-L441 PolarHBondContact O-N 3.45Å
438	P	89	Confident	89.9	Confident	37 Å²	37	58.8 Å²	58.8	24%	0.24	25%	0.254	C	S	.	.	H	α-helix	trans	-53.2	-40.9	-178.2	-29.2	36.1	0	0	0	114.5	D440 L441 W442 E630	P438-D440 PolarHBondContact O-N 3Å; P438-D440 VanDerWaalsContact O-N 3.17Å; P438-L441 WeakPolarHBondContact O-CB 3.35Å; P438-L441 PolarHBondContact O-N 2.87Å; P438-W442 PolarHBondContact O-N 2.83Å; P438-E630 HydrophobicContact CB-CB 4.31Å; P438-E630 WeakPolarHBondContact CB-O 3.37Å; P438-E630 HydrophobicContact CG-CB 3.96Å; P438-E630 HydrophobicContact CG-CG 4.11Å
439	K	88.1	Confident	89.8	Confident	145 Å²	145	58 Å²	58	63%	0.63	25%	0.25	S	C	*	.	H	α-helix	trans	-61.6	-23.1	175.6	-64.1	-170.9	176.5	-173.9	0	114.7	R437 W442	R437-K439 VanDerWaalsContact C-N 3.29Å; R437-K439 PolarHBondContact O-N 3.42Å; R437-K439 VanDerWaalsContact O-N 3.15Å; K439-W442 HydrophobicContact CB-CE3 4.35Å; K439-W442 HydrophobicContact CG-CE3 4.12Å; K439-W442 HydrophobicContact CG-CH2 4.46Å; K439-W442 HydrophobicContact CG-CZ3 3.82Å
440	D	90.1	Very high	89.4	Confident	28 Å²	28	64.3 Å²	64.3	15%	0.15	27%	0.274	C	S	.	.	H	α-helix	trans	-83.2	-23.3	176.6	-63	-58.5	0	0	0	111.4	C416 M436 R437 P438 K443	C416-D440 WeakPolarHBondContact CB-O 3.25Å; M436-D440 HydrophobicContact CB-CB 4.46Å; R437-D440 IonicContact CZ-OD2 3.66Å; R437-D440 VanDerWaalsContact CZ-OD2 3.3Å; R437-D440 IonicContact NE-OD2 3.29Å; R437-D440 PolarHBondContact NE-OD2 3Å; R437-D440 IonicContact NH2-OD1 2.66Å; R437-D440 PolarHBondContact NH2-OD1 3.48Å; R437-D440 IonicContact NH2-OD2 3.93Å; R437-D440 PolarHBondContact NH2-OD2 3.2Å; R437-D440 WeakPolarHBondContact O-CA 3.36Å; R437-D440 WeakPolarHBondContact O-CB 3.3Å; R437-D440 PolarHBondContact O-N 3.46Å; P438-D440 PolarHBondContact O-N 3Å; P438-D440 VanDerWaalsContact O-N 3.17Å; D440-K443 IonicContact OD1-NZ 2.78Å; D440-K443 PolarHBondContact OD1-NZ 3.17Å
441	L	90.6	Very high	88.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-77.7	-24.6	175	-54.7	179.2	0	0	0	113.2	V433 M436 R437 P438 K443 R511 M515 H519 V631	V433-L441 HydrophobicContact CG1-CD1 4.45Å; V433-L441 HydrophobicContact CG1-CD2 4.22Å; M436-L441 HydrophobicContact CB-CD2 3.73Å; M436-L441 HydrophobicContact CB-CG 4.37Å; M436-L441 HydrophobicContact CG-CD2 4.36Å; M436-L441 HydrophobicContact SD-CD2 3.76Å; R437-L441 PolarHBondContact O-N 3.45Å; P438-L441 WeakPolarHBondContact O-CB 3.35Å; P438-L441 PolarHBondContact O-N 2.87Å; L441-K443 VanDerWaalsContact C-N 3.3Å; L441-R511 HydrophobicContact CD1-CB 4.46Å; L441-R511 HydrophobicContact CD1-CG 4.34Å; L441-M515 HydrophobicContact CB-CG 4.26Å; L441-M515 HydrophobicContact CB-SD 4.32Å; L441-M515 HydrophobicContact CD1-SD 4.27Å; L441-M515 HydrophobicContact CD2-CE 4.4Å; L441-M515 HydrophobicContact CD2-SD 3.87Å; L441-M515 HydrophobicContact CG-SD 4.37Å; L441-H519 PolarHBondContact O-NE2 3.25Å; L441-V631 HydrophobicContact CD1-CG2 3.9Å
442	W	90.4	Very high	88.4	Confident	48 Å²	48	64.2 Å²	64.2	18%	0.182	30%	0.301	C	S	.	.	S	Bend	trans	-73.6	-17.4	174.2	-60.9	-27	0	0	0	113.9	Q410 P438 K439 F518 V631	Q410-W442 WeakPolarHBondContact CG-O 3.37Å; Q410-W442 PolarHBondContact NE2-O 3.03Å; Q410-W442 VanDerWaalsContact NE2-O 3.13Å; P438-W442 PolarHBondContact O-N 2.83Å; K439-W442 HydrophobicContact CB-CE3 4.35Å; K439-W442 HydrophobicContact CG-CE3 4.12Å; K439-W442 HydrophobicContact CG-CH2 4.46Å; K439-W442 HydrophobicContact CG-CZ3 3.82Å; W442-F518 HydrophobicContact CB-CE1 4.1Å; W442-F518 HydrophobicContact CB-CE2 4.12Å; W442-F518 HydrophobicContact CB-CZ 3.67Å; W442-F518 AromaticContact CD1-CD2 3.62Å; W442-F518 AromaticContact CD1-CE2 3.33Å; W442-F518 AromaticContact CD1-CZ 3.79Å; W442-F518 HydrophobicContact CG-CD2 4.47Å; W442-F518 AromaticContact CG-CE2 3.79Å; W442-F518 HydrophobicContact CG-CE2 3.79Å; W442-F518 AromaticContact CG-CZ 3.87Å; W442-F518 HydrophobicContact CG-CZ 3.87Å; W442-F518 AromaticContact NE1-CE2 3.89Å; W442-F518 WeakPolarHBondContact O-CE1 3.48Å; W442-V631 PolarHBondContact NE1-O 3.37Å
443	K	89.6	Confident	87	Confident	51 Å²	51	72 Å²	72	22%	0.222	34%	0.337	C	S	.	.	S	Bend	trans	-66.2	155.1	176.2	-68	170.8	177.4	167.3	0	110.5	P411 C416 D440 L441 L445 H519	P411-K443 HydrophobicContact CB-CG 4.4Å; P411-K443 HydrophobicContact CG-CG 4.17Å; C416-K443 HydrophobicContact CB-CB 4.21Å; D440-K443 IonicContact OD1-NZ 2.78Å; D440-K443 PolarHBondContact OD1-NZ 3.17Å; L441-K443 VanDerWaalsContact C-N 3.3Å; K443-L445 PolarHBondContact O-N 2.84Å; K443-L445 VanDerWaalsContact O-N 3.07Å; K443-H519 PolarHBondContact O-CE1 2.92Å
444	R	85.8	Confident	85.3	Confident	123 Å²	123	73.9 Å²	73.9	46%	0.464	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	118.5	176.8	179.9	175.6	177.8	165.1	4.9	110.5	H415 C416	H415-R444 CarbonylContact C-O 3.55Å; H415-R444 WeakPolarHBondContact CA-O 3.49Å; C416-R444 PolarHBondContact N-O 3.23Å
445	L	87.3	Confident	83.6	Confident	11 Å²	11	77.9 Å²	77.9	6%	0.058	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	139.5	179.4	-166.5	59.3	0	0	0	110.5	C416 I418 K443 I447 A461 W464 M515	C416-L445 HydrophobicContact CB-CD1 4.13Å; I418-L445 HydrophobicContact CD1-CD1 4.09Å; K443-L445 PolarHBondContact O-N 2.84Å; K443-L445 VanDerWaalsContact O-N 3.07Å; L445-I447 HydrophobicContact CD1-CD1 3.72Å; L445-I447 HydrophobicContact CD2-CD1 4.26Å; L445-I447 HydrophobicContact CG-CD1 3.85Å; L445-I447 HydrophobicContact CG-CG1 4.24Å; L445-A461 HydrophobicContact CD2-CB 4.04Å; L445-A461 HydrophobicContact CG-CB 4.36Å; L445-W464 HydrophobicContact CD2-CE3 4.3Å; L445-W464 HydrophobicContact CD2-CZ3 3.95Å; L445-M515 HydrophobicContact CD1-CE 3.7Å; L445-M515 HydrophobicContact CD2-CE 4.35Å
446	M	86.8	Confident	82.2	Confident	63 Å²	63	69.9 Å²	69.9	31%	0.31	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	98.7	179	-168.9	176.6	-161.5	0	0	108.8	H415 C416 R417 I418 D456	H415-M446 HydrophobicContact CB-CB 4.41Å; C416-M446 PolarHBondContact O-N 3.17Å; R417-M446 WeakPolarHBondContact CA-O 3.04Å; R417-M446 HydrophobicContact CG-CB 4.37Å; R417-M446 HydrophobicContact CG-SD 4.47Å; I418-M446 PolarHBondContact N-O 2.86Å; I418-M446 VanDerWaalsContact N-O 3.17Å; M446-D456 WeakPolarHBondContact CA-OD2 3.22Å; M446-D456 HydrophobicContact CG-CB 4.32Å
447	I	88.1	Confident	80.7	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	142.9	179.4	-48.9	-56.6	0	0	0	110.3	I418 V420 L445 D456 V460 A461 W464	I418-I447 HydrophobicContact CB-CD1 3.71Å; I418-I447 HydrophobicContact CD1-CD1 4.01Å; I418-I447 HydrophobicContact CG1-CD1 4.28Å; I418-I447 HydrophobicContact CG2-CD1 4.24Å; I418-I447 WeakPolarHBondContact O-CA 3.4Å; V420-I447 HydrophobicContact CG2-CG2 4.28Å; L445-I447 HydrophobicContact CD1-CD1 3.72Å; L445-I447 HydrophobicContact CD2-CD1 4.26Å; L445-I447 HydrophobicContact CG-CD1 3.85Å; L445-I447 HydrophobicContact CG-CG1 4.24Å; I447-D456 PolarHBondContact N-OD2 3.17Å; I447-D456 VanDerWaalsContact O-CB 3.29Å; I447-D456 WeakPolarHBondContact O-CB 3.36Å; I447-V460 HydrophobicContact CB-CG1 4.13Å; I447-V460 HydrophobicContact CG2-CG1 4.21Å; I447-A461 HydrophobicContact CG1-CB 4.04Å; I447-W464 HydrophobicContact CB-CB 4.36Å; I447-W464 HydrophobicContact CD1-CD2 3.7Å; I447-W464 HydrophobicContact CD1-CE3 3.64Å; I447-W464 HydrophobicContact CD1-CG 4.16Å; I447-W464 HydrophobicContact CD1-CH2 4.5Å; I447-W464 HydrophobicContact CD1-CZ3 4.07Å; I447-W464 HydrophobicContact CG1-CB 4.03Å; I447-W464 HydrophobicContact CG1-CD2 3.94Å; I447-W464 HydrophobicContact CG1-CE3 3.89Å; I447-W464 HydrophobicContact CG1-CG 4Å; I447-W464 HydrophobicContact CG2-CB 3.83Å; I447-W464 HydrophobicContact CG2-CD2 4.5Å; I447-W464 HydrophobicContact CG2-CG 3.84Å
448	K	86.5	Confident	79.6	Confident	97 Å²	97	66.5 Å²	66.5	42%	0.422	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127	171.5	-176.8	-173.8	172	-143.4	0	109.8	I418 E419 V420	I418-K448 PolarHBondContact O-N 3.32Å; E419-K448 VanDerWaalsContact CA-O 3.31Å; E419-K448 WeakPolarHBondContact CA-O 3.39Å; E419-K448 HydrophobicContact CG-CB 4.45Å; E419-K448 HydrophobicContact CG-CD 4.37Å; E419-K448 WeakPolarHBondContact OE1-CE 3.27Å; E419-K448 IonicContact OE1-NZ 3.04Å; E419-K448 PolarHBondContact OE1-NZ 3.46Å; V420-K448 PolarHBondContact N-O 3.44Å
449	F	86.3	Confident	78.9	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	133.6	168.4	-72.2	-68.7	0	0	0	110.5	V420 R422 I425 G451 E452 V460 E463 W464 L467	V420-F449 HydrophobicContact CG2-CD1 3.9Å; V420-F449 HydrophobicContact CG2-CE1 3.81Å; V420-F449 CarbonylContact O-C 3.58Å; V420-F449 VanDerWaalsContact O-CA 3.26Å; V420-F449 WeakPolarHBondContact O-CA 3.36Å; R422-F449 HydrophobicContact CG-CD1 3.76Å; R422-F449 HydrophobicContact CG-CE1 3.99Å; R422-F449 HydrophobicContact CG-CG 4.3Å; I425-F449 HydrophobicContact CD1-CE1 4.21Å; I425-F449 HydrophobicContact CD1-CZ 4.48Å; F449-G451 PolarHBondContact O-N 3.28Å; F449-E452 HydrophobicContact CB-CB 4.1Å; F449-E452 VanDerWaalsContact CB-CD 3.5Å; F449-E452 HydrophobicContact CB-CG 4.27Å; F449-E452 WeakPolarHBondContact CB-OE1 3.31Å; F449-E452 PolarHBondContact O-N 3.1Å; F449-V460 HydrophobicContact CD2-CG1 3.56Å; F449-V460 HydrophobicContact CE2-CG1 3.55Å; F449-E463 HydrophobicContact CE2-CG 4.49Å; F449-E463 VanDerWaalsContact CE2-OE2 3.31Å; F449-E463 WeakPolarHBondContact CE2-OE2 3.4Å; F449-W464 HydrophobicContact CZ-CB 4.17Å; F449-L467 HydrophobicContact CZ-CD1 4.17Å
450	R	83.6	Confident	78.6	Confident	133 Å²	133	58.6 Å²	58.6	50%	0.502	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	118.5	-177.2	-171.8	-174.4	-62.2	142.9	11.7	109.7	V420 E428	V420-R450 PolarHBondContact O-N 3.34Å; E428-R450 VanDerWaalsContact CD-NH2 3.34Å; E428-R450 IonicContact OE1-CZ 3.84Å; E428-R450 IonicContact OE1-NH1 3.31Å; E428-R450 PolarHBondContact OE1-NH1 3.21Å; E428-R450 IonicContact OE1-NH2 3.61Å; E428-R450 PolarHBondContact OE1-NH2 3.19Å; E428-R450 IonicContact OE2-CZ 3.94Å; E428-R450 IonicContact OE2-NH1 2.9Å; E428-R450 IonicContact OE2-NH2 3.66Å; E428-R450 PolarHBondContact OE2-NH2 2.88Å
451	G	78.1	Confident	78.3	Confident	82 Å²	82	57.3 Å²	57.3	85%	0.845	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.9	-4.6	-177.7	0	0	0	0	0	114.7	F449	F449-G451 PolarHBondContact O-N 3.28Å
452	E	80.3	Confident	77.8	Confident	48 Å²	48	58.4 Å²	58.4	22%	0.224	30%	0.295	C	S	.	.			trans	-108	136.4	178.8	-73.4	164.7	-124.5	0	0	111.9	R422 F449 G454 A769	R422-E452 WeakPolarHBondContact CD-OE1 3.48Å; R422-E452 IonicContact CZ-OE1 2.89Å; R422-E452 IonicContact CZ-OE2 3.06Å; R422-E452 IonicContact NE-OE1 3.58Å; R422-E452 PolarHBondContact NE-OE1 3.34Å; R422-E452 IonicContact NE-OE2 3.93Å; R422-E452 PolarHBondContact NE-OE2 3.12Å; R422-E452 IonicContact NH2-OE1 2.67Å; R422-E452 IonicContact NH2-OE2 3.4Å; R422-E452 PolarHBondContact NH2-OE2 3.19Å; F449-E452 HydrophobicContact CB-CB 4.1Å; F449-E452 VanDerWaalsContact CB-CD 3.5Å; F449-E452 HydrophobicContact CB-CG 4.27Å; F449-E452 WeakPolarHBondContact CB-OE1 3.31Å; F449-E452 PolarHBondContact O-N 3.1Å; E452-G454 PolarHBondContact O-N 3.23Å; E452-G454 VanDerWaalsContact O-N 3.12Å; E452-A769 HydrophobicContact CG-CB 4.4Å
453	E	62.9	Low	77.6	Confident	213 Å²	213	56.6 Å²	56.6	100%	0.995	29%	0.289	S	S	*	.			trans	-83	79.9	171.6	-67	-152	160	0	0	111.3
454	G	58.8	Low	77.5	Confident	39 Å²	39	54.2 Å²	54.2	40%	0.402	28%	0.278	S	S	.	.			trans	-110.3	119.1	176.7	0	0	0	0	0	113.5	E452 D456	E452-G454 PolarHBondContact O-N 3.23Å; E452-G454 VanDerWaalsContact O-N 3.12Å; G454-D456 PolarHBondContact O-N 2.87Å
455	L	58.6	Low	77.6	Confident	129 Å²	129	48.3 Å²	48.3	68%	0.675	26%	0.256	S	S	*	.			trans	-86.2	99.1	163.3	-73.8	170.2	0	0	0	109.3	Y457	L455-Y457 HydrophobicContact CB-CD2 4.16Å; L455-Y457 HydrophobicContact CB-CE2 3.72Å; L455-Y457 HydrophobicContact CD1-CE2 4.39Å; L455-Y457 VanDerWaalsContact O-CD2 3.27Å; L455-Y457 WeakPolarHBondContact O-CD2 3.49Å; L455-Y457 PolarHBondContact O-N 3.36Å
456	D	62	Low	77.4	Confident	9 Å²	9	49.7 Å²	49.7	5%	0.048	26%	0.261	C	S	.	.			trans	-73	97.6	-177.1	-172	27.3	0	0	0	112.8	M446 I447 G454 G458 G459 V460 A461	M446-D456 WeakPolarHBondContact CA-OD2 3.22Å; M446-D456 HydrophobicContact CG-CB 4.32Å; I447-D456 PolarHBondContact N-OD2 3.17Å; I447-D456 VanDerWaalsContact O-CB 3.29Å; I447-D456 WeakPolarHBondContact O-CB 3.36Å; G454-D456 PolarHBondContact O-N 2.87Å; D456-G458 VanDerWaalsContact C-N 3.29Å; D456-G458 VanDerWaalsContact OD1-CA 3.23Å; D456-G458 WeakPolarHBondContact OD1-CA 3.1Å; D456-G458 PolarHBondContact OD1-N 2.77Å; D456-G459 PolarHBondContact OD1-N 2.66Å; D456-V460 HydrophobicContact CB-CB 4.04Å; D456-V460 HydrophobicContact CB-CG2 4.07Å; D456-V460 WeakPolarHBondContact OD1-CB 3.42Å; D456-V460 PolarHBondContact OD1-N 3.32Å; D456-A461 PolarHBondContact OD1-N 3.28Å
457	Y	61.9	Low	77.2	Confident	118 Å²	118	49.1 Å²	49.1	46%	0.463	26%	0.259	S	S	.	.	S	Bend	trans	-95.1	30.2	163.7	-59.6	-89.7	0	0	0	111.9	L455 A715	L455-Y457 HydrophobicContact CB-CD2 4.16Å; L455-Y457 HydrophobicContact CB-CE2 3.72Å; L455-Y457 HydrophobicContact CD1-CE2 4.39Å; L455-Y457 VanDerWaalsContact O-CD2 3.27Å; L455-Y457 WeakPolarHBondContact O-CD2 3.49Å; L455-Y457 PolarHBondContact O-N 3.36Å; Y457-A715 HydrophobicContact CG-CB 4.33Å; Y457-A715 VanDerWaalsContact O-CA 3.25Å; Y457-A715 WeakPolarHBondContact O-CA 3.44Å
458	G	67.4	Low	77.2	Confident	16 Å²	16	49 Å²	49	17%	0.165	26%	0.258	C	S	.	.	S	Bend	trans	89.6	8.6	177	0	0	0	0	0	114.8	D456 R462	D456-G458 VanDerWaalsContact C-N 3.29Å; D456-G458 VanDerWaalsContact OD1-CA 3.23Å; D456-G458 WeakPolarHBondContact OD1-CA 3.1Å; D456-G458 PolarHBondContact OD1-N 2.77Å; G458-R462 WeakPolarHBondContact O-CD 3.38Å; G458-R462 WeakPolarHBondContact O-CG 3.48Å; G458-R462 PolarHBondContact O-NE 2.88Å
459	G	72.9	Confident	77.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-83.9	-45.6	169.7	0	0	0	0	0	111.6	D456 A461 R462 E463	D456-G459 PolarHBondContact OD1-N 2.66Å; G459-A461 VanDerWaalsContact C-N 3.29Å; G459-A461 PolarHBondContact O-N 2.99Å; G459-R462 PolarHBondContact O-N 3.2Å; G459-E463 PolarHBondContact O-N 2.7Å
460	V	81.8	Confident	76.8	Confident	17 Å²	17	48.1 Å²	48.1	10%	0.103	26%	0.256	C	S	.	.	H	α-helix	trans	-65.2	-36.9	176.9	-169	0	0	0	0	110	I447 F449 D456 R462 E463 W464	I447-V460 HydrophobicContact CB-CG1 4.13Å; I447-V460 HydrophobicContact CG2-CG1 4.21Å; F449-V460 HydrophobicContact CD2-CG1 3.56Å; F449-V460 HydrophobicContact CE2-CG1 3.55Å; D456-V460 HydrophobicContact CB-CB 4.04Å; D456-V460 HydrophobicContact CB-CG2 4.07Å; D456-V460 WeakPolarHBondContact OD1-CB 3.42Å; D456-V460 PolarHBondContact OD1-N 3.32Å; V460-R462 VanDerWaalsContact C-N 3.3Å; V460-R462 PolarHBondContact O-N 2.84Å; V460-E463 PolarHBondContact O-N 3.26Å; V460-W464 WeakPolarHBondContact O-CB 3.36Å; V460-W464 PolarHBondContact O-N 3.01Å
461	A	84.2	Confident	76.6	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-34.7	173.7	0	0	0	0	0	114.9	L445 I447 D456 G459 L465	L445-A461 HydrophobicContact CD2-CB 4.04Å; L445-A461 HydrophobicContact CG-CB 4.36Å; I447-A461 HydrophobicContact CG1-CB 4.04Å; D456-A461 PolarHBondContact OD1-N 3.28Å; G459-A461 VanDerWaalsContact C-N 3.29Å; G459-A461 PolarHBondContact O-N 2.99Å; A461-L465 PolarHBondContact O-N 3.47Å
462	R	81.8	Confident	76.8	Confident	23 Å²	23	41 Å²	41	9%	0.087	21%	0.206	C	C	.	.	H	α-helix	trans	-76.5	-43.1	177.9	-60.2	164.4	-149.9	-175.3	-4.6	111.3	G458 G459 V460 W464 L465 Y466 T699 G700 Q713 N741	G458-R462 WeakPolarHBondContact O-CD 3.38Å; G458-R462 WeakPolarHBondContact O-CG 3.48Å; G458-R462 PolarHBondContact O-NE 2.88Å; G459-R462 PolarHBondContact O-N 3.2Å; V460-R462 VanDerWaalsContact C-N 3.3Å; V460-R462 PolarHBondContact O-N 2.84Å; R462-W464 VanDerWaalsContact C-N 3.33Å; R462-W464 PolarHBondContact O-N 3.33Å; R462-L465 PolarHBondContact O-N 3.46Å; R462-Y466 WeakPolarHBondContact O-CB 3.49Å; R462-Y466 PolarHBondContact O-N 3.49Å; R462-T699 WeakPolarHBondContact CD-O 3.41Å; R462-T699 PolarHBondContact NH1-O 2.86Å; R462-G700 CarbonylContact C-O 3.48Å; R462-G700 WeakPolarHBondContact CB-O 3.19Å; R462-Q713 VanDerWaalsContact CZ-O 3.27Å; R462-Q713 PolarHBondContact NH1-O 3.34Å; R462-Q713 PolarHBondContact NH2-O 2.74Å; R462-N741 PolarHBondContact NH1-OD1 2.93Å
463	E	84.3	Confident	76.7	Confident	10 Å²	10	39.2 Å²	39.2	5%	0.047	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-44.2	175.5	-179.1	-173.1	-146.6	0	0	111	R422 F449 G459 V460 L465 Y466 L467 F768	R422-E463 IonicContact CZ-OE1 3.35Å; R422-E463 IonicContact CZ-OE2 2.72Å; R422-E463 VanDerWaalsContact NH1-CD 3.33Å; R422-E463 IonicContact NH1-OE1 3.87Å; R422-E463 PolarHBondContact NH1-OE1 3.23Å; R422-E463 IonicContact NH1-OE2 3.23Å; R422-E463 IonicContact NH2-OE1 2.85Å; R422-E463 PolarHBondContact NH2-OE1 3.34Å; R422-E463 IonicContact NH2-OE2 3.83Å; R422-E463 PolarHBondContact NH2-OE2 2.79Å; F449-E463 HydrophobicContact CE2-CG 4.49Å; F449-E463 VanDerWaalsContact CE2-OE2 3.31Å; F449-E463 WeakPolarHBondContact CE2-OE2 3.4Å; G459-E463 PolarHBondContact O-N 2.7Å; V460-E463 PolarHBondContact O-N 3.26Å; E463-L465 PolarHBondContact O-N 3.36Å; E463-Y466 WeakPolarHBondContact O-CB 3.45Å; E463-Y466 PolarHBondContact O-N 3.42Å; E463-L467 HydrophobicContact CG-CD1 3.89Å; E463-L467 HydrophobicContact CG-CG 4.26Å; E463-L467 WeakPolarHBondContact O-CB 3.35Å; E463-L467 WeakPolarHBondContact O-CG 3.4Å; E463-L467 PolarHBondContact O-N 2.9Å; E463-F768 HydrophobicContact CB-CE2 3.79Å; E463-F768 HydrophobicContact CB-CZ 4.45Å; E463-F768 HydrophobicContact CG-CE2 4.06Å; E463-F768 WeakPolarHBondContact OE2-CD2 3.46Å; E463-F768 WeakPolarHBondContact OE2-CE2 3.2Å
464	W	88.5	Confident	77	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.8	-46.6	174.1	169.4	74.4	0	0	0	112.2	I418 S429 L445 I447 F449 V460 R462 Y466 L467 L468 I512 M515	I418-W464 HydrophobicContact CD1-CH2 3.96Å; I418-W464 HydrophobicContact CD1-CZ2 3.96Å; S429-W464 PolarHBondContact OG-NE1 3.21Å; L445-W464 HydrophobicContact CD2-CE3 4.3Å; L445-W464 HydrophobicContact CD2-CZ3 3.95Å; I447-W464 HydrophobicContact CB-CB 4.36Å; I447-W464 HydrophobicContact CD1-CD2 3.7Å; I447-W464 HydrophobicContact CD1-CE3 3.64Å; I447-W464 HydrophobicContact CD1-CG 4.16Å; I447-W464 HydrophobicContact CD1-CH2 4.5Å; I447-W464 HydrophobicContact CD1-CZ3 4.07Å; I447-W464 HydrophobicContact CG1-CB 4.03Å; I447-W464 HydrophobicContact CG1-CD2 3.94Å; I447-W464 HydrophobicContact CG1-CE3 3.89Å; I447-W464 HydrophobicContact CG1-CG 4Å; I447-W464 HydrophobicContact CG2-CB 3.83Å; I447-W464 HydrophobicContact CG2-CD2 4.5Å; I447-W464 HydrophobicContact CG2-CG 3.84Å; F449-W464 HydrophobicContact CZ-CB 4.17Å; V460-W464 WeakPolarHBondContact O-CB 3.36Å; V460-W464 PolarHBondContact O-N 3.01Å; R462-W464 VanDerWaalsContact C-N 3.33Å; R462-W464 PolarHBondContact O-N 3.33Å; W464-Y466 VanDerWaalsContact C-N 3.35Å; W464-Y466 PolarHBondContact O-N 2.87Å; W464-L467 PolarHBondContact O-N 3.33Å; W464-L468 HydrophobicContact CH2-CD2 4.1Å; W464-L468 HydrophobicContact CZ2-CD2 3.52Å; W464-L468 WeakPolarHBondContact O-CB 3.39Å; W464-L468 PolarHBondContact O-N 2.72Å; W464-I512 HydrophobicContact CH2-CD1 3.63Å; W464-I512 HydrophobicContact CZ2-CD1 4.02Å; W464-M515 HydrophobicContact CH2-CE 4.09Å; W464-M515 HydrophobicContact CZ3-CE 4.33Å
465	L	88.7	Confident	77.4	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-37.9	175.5	-82.6	172.7	0	0	0	113	A461 R462 E463 S469 I512 A516 H521	A461-L465 PolarHBondContact O-N 3.47Å; R462-L465 PolarHBondContact O-N 3.46Å; E463-L465 PolarHBondContact O-N 3.36Å; L465-S469 VanDerWaalsContact O-CB 3.25Å; L465-S469 WeakPolarHBondContact O-CB 3.43Å; L465-S469 PolarHBondContact O-N 3.01Å; L465-S469 PolarHBondContact O-OG 3.07Å; L465-I512 HydrophobicContact CD2-CG2 3.53Å; L465-A516 HydrophobicContact CD1-CB 4.17Å; L465-A516 HydrophobicContact CD2-CB 4.5Å; L465-H521 HydrophobicContact CD1-CB 3.33Å
466	Y	82.8	Confident	77.6	Confident	40 Å²	40	31.4 Å²	31.4	16%	0.157	15%	0.147	C	C	.	.	H	α-helix	trans	-65	-49.7	176.2	171.7	-80	0	0	0	112	R462 E463 W464 L468 S469 H470 D524 Q696 S702	R462-Y466 WeakPolarHBondContact O-CB 3.49Å; R462-Y466 PolarHBondContact O-N 3.49Å; E463-Y466 WeakPolarHBondContact O-CB 3.45Å; E463-Y466 PolarHBondContact O-N 3.42Å; W464-Y466 VanDerWaalsContact C-N 3.35Å; W464-Y466 PolarHBondContact O-N 2.87Å; Y466-L468 VanDerWaalsContact C-N 3.34Å; Y466-S469 PolarHBondContact O-N 3.2Å; Y466-S469 PolarHBondContact O-OG 2.94Å; Y466-H470 AromaticContact CD1-ND1 3.86Å; Y466-H470 AromaticContact CD2-CE1 3.86Å; Y466-H470 AromaticContact CE1-CE1 3.63Å; Y466-H470 AromaticContact CE1-ND1 3.64Å; Y466-H470 AromaticContact CE2-CE1 3.34Å; Y466-H470 WeakPolarHBondContact CE2-CE1 3.48Å; Y466-H470 AromaticContact CE2-ND1 4Å; Y466-H470 AromaticContact CZ-CE1 3.2Å; Y466-H470 AromaticContact CZ-ND1 3.72Å; Y466-H470 AromaticContact CZ-NE2 3.89Å; Y466-H470 PolarHBondContact O-N 2.9Å; Y466-H470 VanDerWaalsContact O-N 3.14Å; Y466-H470 PolarHBondContact O-ND1 2.95Å; Y466-H470 PolarHBondContact OH-CE1 3.14Å; Y466-D524 HydrophobicContact CD2-CB 3.98Å; Y466-D524 HydrophobicContact CE2-CB 4.28Å; Y466-D524 WeakPolarHBondContact CE2-OD2 3.32Å; Y466-Q696 VanDerWaalsContact CE2-OE1 3.29Å; Y466-Q696 VanDerWaalsContact CG-NE2 3.31Å; Y466-Q696 PolarHBondContact OH-OE1 2.98Å; Y466-S702 WeakPolarHBondContact CD2-OG 3.28Å
467	L	82.7	Confident	77.8	Confident	50 Å²	50	33.5 Å²	33.5	26%	0.262	16%	0.155	S	C	.	.	H	α-helix	trans	-67	-41.2	-179.1	-69.9	174.7	0	0	0	110.1	I425 F449 E463 W464 H470 E471	I425-L467 HydrophobicContact CD1-CB 3.4Å; I425-L467 VanDerWaalsContact CD1-CB 3.4Å; I425-L467 HydrophobicContact CD1-CD1 4.2Å; I425-L467 HydrophobicContact CD1-CG 4.46Å; F449-L467 HydrophobicContact CZ-CD1 4.17Å; E463-L467 HydrophobicContact CG-CD1 3.89Å; E463-L467 HydrophobicContact CG-CG 4.26Å; E463-L467 WeakPolarHBondContact O-CB 3.35Å; E463-L467 WeakPolarHBondContact O-CG 3.4Å; E463-L467 PolarHBondContact O-N 2.9Å; W464-L467 PolarHBondContact O-N 3.33Å; L467-H470 PolarHBondContact O-N 3.45Å; L467-E471 PolarHBondContact O-N 2.93Å; L467-E471 VanDerWaalsContact O-N 3.16Å
468	L	88	Confident	78.2	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.1	-35	176.3	-175	63.6	0	0	0	112.2	I425 F426 W464 Y466 E471 M472 F508 I512	I425-L468 HydrophobicContact CD1-CB 4.35Å; F426-L468 HydrophobicContact CB-CD1 4.34Å; F426-L468 HydrophobicContact CD2-CD1 3.94Å; W464-L468 HydrophobicContact CH2-CD2 4.1Å; W464-L468 HydrophobicContact CZ2-CD2 3.52Å; W464-L468 WeakPolarHBondContact O-CB 3.39Å; W464-L468 PolarHBondContact O-N 2.72Å; Y466-L468 VanDerWaalsContact C-N 3.34Å; L468-E471 PolarHBondContact O-N 3.4Å; L468-M472 HydrophobicContact CB-CE 4.4Å; L468-M472 HydrophobicContact CD2-CE 4.17Å; L468-M472 HydrophobicContact CG-CE 3.71Å; L468-M472 WeakPolarHBondContact O-CB 3.46Å; L468-M472 WeakPolarHBondContact O-CE 3.23Å; L468-M472 PolarHBondContact O-N 3.39Å; L468-F508 HydrophobicContact CD1-CE1 4.34Å; L468-F508 HydrophobicContact CD1-CZ 4.11Å; L468-F508 HydrophobicContact CD2-CZ 3.99Å; L468-I512 HydrophobicContact CD2-CD1 3.71Å; L468-I512 HydrophobicContact CD2-CG1 3.99Å; L468-I512 HydrophobicContact CD2-CG2 4.19Å
469	S	87	Confident	78.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.3	-42.2	176.9	71.6	0	0	0	0	112	L465 Y466 E471 L473 D524	L465-S469 VanDerWaalsContact O-CB 3.25Å; L465-S469 WeakPolarHBondContact O-CB 3.43Å; L465-S469 PolarHBondContact O-N 3.01Å; L465-S469 PolarHBondContact O-OG 3.07Å; Y466-S469 PolarHBondContact O-N 3.2Å; Y466-S469 PolarHBondContact O-OG 2.94Å; S469-E471 PolarHBondContact O-N 2.87Å; S469-L473 WeakPolarHBondContact O-CB 3.43Å; S469-L473 WeakPolarHBondContact O-CG 3.37Å; S469-L473 PolarHBondContact O-N 3.47Å; S469-L473 VanDerWaalsContact O-N 3.12Å; S469-D524 WeakPolarHBondContact CB-O 3.47Å; S469-D524 WeakPolarHBondContact OG-CA 3.3Å; S469-D524 WeakPolarHBondContact OG-CB 3.24Å; S469-D524 PolarHBondContact OG-N 2.97Å; S469-D524 PolarHBondContact OG-O 3.4Å
470	H	77.6	Confident	79.3	Confident	83 Å²	83	27.6 Å²	27.6	38%	0.384	13%	0.128	S	C	.	.	H	α-helix	trans	-59	-46.1	174.2	-78	78.4	0	0	0	111.7	Y466 L467 N474 D524	Y466-H470 AromaticContact CD1-ND1 3.86Å; Y466-H470 AromaticContact CD2-CE1 3.86Å; Y466-H470 AromaticContact CE1-CE1 3.63Å; Y466-H470 AromaticContact CE1-ND1 3.64Å; Y466-H470 AromaticContact CE2-CE1 3.34Å; Y466-H470 WeakPolarHBondContact CE2-CE1 3.48Å; Y466-H470 AromaticContact CE2-ND1 4Å; Y466-H470 AromaticContact CZ-CE1 3.2Å; Y466-H470 AromaticContact CZ-ND1 3.72Å; Y466-H470 AromaticContact CZ-NE2 3.89Å; Y466-H470 PolarHBondContact O-N 2.9Å; Y466-H470 VanDerWaalsContact O-N 3.14Å; Y466-H470 PolarHBondContact O-ND1 2.95Å; Y466-H470 PolarHBondContact OH-CE1 3.14Å; L467-H470 PolarHBondContact O-N 3.45Å; H470-N474 WeakPolarHBondContact O-CB 3.39Å; H470-N474 PolarHBondContact O-N 2.84Å; H470-D524 IonicContact CE1-OD2 2.71Å
471	E	78.6	Confident	79	Confident	64 Å²	64	30 Å²	30	30%	0.299	14%	0.139	S	C	.	.	H	α-helix	trans	-68.2	-49.6	177.6	-73.1	-60.8	123.7	0	0	112.8	I425 F426 L467 L468 S469 L473 N474 Y477	I425-E471 HydrophobicContact CG2-CG 3.94Å; F426-E471 HydrophobicContact CB-CB 3.96Å; F426-E471 HydrophobicContact CD2-CB 4.48Å; F426-E471 HydrophobicContact CG-CB 4.47Å; L467-E471 PolarHBondContact O-N 2.93Å; L467-E471 VanDerWaalsContact O-N 3.16Å; L468-E471 PolarHBondContact O-N 3.4Å; S469-E471 PolarHBondContact O-N 2.87Å; E471-L473 PolarHBondContact O-N 2.71Å; E471-N474 VanDerWaalsContact O-CB 3.29Å; E471-N474 WeakPolarHBondContact O-CB 3.49Å; E471-N474 PolarHBondContact O-N 2.87Å; E471-N474 VanDerWaalsContact O-N 3.16Å; E471-Y477 HydrophobicContact CB-CE2 4.41Å; E471-Y477 WeakPolarHBondContact O-CD2 3.19Å; E471-Y477 WeakPolarHBondContact O-CE2 3.46Å; E471-Y477 VanDerWaalsContact OE2-CE2 3.32Å; E471-Y477 WeakPolarHBondContact OE2-CE2 3.48Å; E471-Y477 PolarHBondContact OE2-OH 2.87Å
472	M	82.5	Confident	78.3	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-26.3	-175.3	84.1	176.5	75.1	0	0	113.5	F426 L468 F480 V509 I512	F426-M472 HydrophobicContact CD2-CB 3.87Å; F426-M472 HydrophobicContact CE2-CB 3.51Å; L468-M472 HydrophobicContact CB-CE 4.4Å; L468-M472 HydrophobicContact CD2-CE 4.17Å; L468-M472 HydrophobicContact CG-CE 3.71Å; L468-M472 WeakPolarHBondContact O-CB 3.46Å; L468-M472 WeakPolarHBondContact O-CE 3.23Å; L468-M472 PolarHBondContact O-N 3.39Å; M472-F480 WeakPolarHBondContact O-CD2 3.32Å; M472-V509 HydrophobicContact CB-CG2 4.19Å; M472-V509 HydrophobicContact CG-CG2 4.25Å; M472-V509 HydrophobicContact SD-CB 4.24Å; M472-V509 HydrophobicContact SD-CG1 3.83Å; M472-V509 HydrophobicContact SD-CG2 3.85Å; M472-I512 HydrophobicContact CE-CB 3.96Å; M472-I512 HydrophobicContact CE-CG1 4.32Å; M472-I512 HydrophobicContact CE-CG2 3.41Å; M472-I512 VanDerWaalsContact CE-CG2 3.41Å
473	L	78.3	Confident	77.3	Confident	9 Å²	9	35.5 Å²	35.5	5%	0.047	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-4	-178	-61.3	-177.3	0	0	0	112.9	S469 E471 P475 F480 L490 I523 F527	S469-L473 WeakPolarHBondContact O-CB 3.43Å; S469-L473 WeakPolarHBondContact O-CG 3.37Å; S469-L473 PolarHBondContact O-N 3.47Å; S469-L473 VanDerWaalsContact O-N 3.12Å; E471-L473 PolarHBondContact O-N 2.71Å; L473-P475 WeakPolarHBondContact O-CD 3.4Å; L473-F480 HydrophobicContact CD2-CD2 3.83Å; L473-F480 HydrophobicContact CD2-CE2 3.74Å; L473-F480 HydrophobicContact CD2-CG 4.37Å; L473-F480 HydrophobicContact CD2-CZ 4.21Å; L473-L490 HydrophobicContact CB-CD1 3.69Å; L473-L490 HydrophobicContact CD1-CD1 3.87Å; L473-L490 HydrophobicContact CD2-CD1 4.25Å; L473-L490 HydrophobicContact CG-CD1 4.13Å; L473-I523 HydrophobicContact CD1-CG2 4.29Å; L473-F527 HydrophobicContact CD2-CE1 3.82Å; L473-F527 HydrophobicContact CD2-CZ 3.61Å
474	N	68.7	Low	75.7	Confident	42 Å²	42	44.8 Å²	44.8	23%	0.225	20%	0.197	C	C	.	.			trans	-65.1	120.2	178.2	-178.7	-8.2	0	0	0	110.3	H470 E471 Y476 Y477	H470-N474 WeakPolarHBondContact O-CB 3.39Å; H470-N474 PolarHBondContact O-N 2.84Å; E471-N474 VanDerWaalsContact O-CB 3.29Å; E471-N474 WeakPolarHBondContact O-CB 3.49Å; E471-N474 PolarHBondContact O-N 2.87Å; E471-N474 VanDerWaalsContact O-N 3.16Å; N474-Y476 PolarHBondContact O-N 3.03Å; N474-Y476 WeakPolarHBondContact OD1-CD2 3.44Å; N474-Y476 PolarHBondContact OD1-N 2.98Å; N474-Y476 VanDerWaalsContact OD1-N 3.17Å; N474-Y477 HydrophobicContact CB-CD2 3.96Å; N474-Y477 HydrophobicContact CB-CE2 4.16Å; N474-Y477 PolarHBondContact O-N 3.34Å; N474-Y477 VanDerWaalsContact O-N 3.15Å
475	P	66.7	Low	73.5	Confident	37 Å²	37	52 Å²	52	24%	0.24	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.6	-21.5	-177.7	-27.5	36.5	0	0	0	115.2	L473 Y477 G478 F480 Y482	L473-P475 WeakPolarHBondContact O-CD 3.4Å; P475-Y477 PolarHBondContact O-N 3.28Å; P475-G478 PolarHBondContact O-N 2.94Å; P475-F480 WeakPolarHBondContact CA-O 3.47Å; P475-F480 WeakPolarHBondContact CB-O 3.42Å; P475-Y482 HydrophobicContact CG-CD2 4.12Å; P475-Y482 HydrophobicContact CG-CE2 3.64Å
476	Y	63.2	Low	71	Confident	139 Å²	139	57.9 Å²	57.9	55%	0.545	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-64.1	-18.7	177.6	-64.2	-57.6	0	0	0	114.4	N474 G478	N474-Y476 PolarHBondContact O-N 3.03Å; N474-Y476 WeakPolarHBondContact OD1-CD2 3.44Å; N474-Y476 PolarHBondContact OD1-N 2.98Å; N474-Y476 VanDerWaalsContact OD1-N 3.17Å; Y476-G478 PolarHBondContact O-N 3.12Å
477	Y	67.1	Low	69	Low	53 Å²	53	61.9 Å²	61.9	21%	0.208	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-78.3	-5.2	170.7	-69.3	-78.9	0	0	0	113.4	F426 E471 N474 P475 L479	F426-Y477 HydrophobicContact CD1-CD1 4.36Å; F426-Y477 AromaticContact CD1-CE1 3.88Å; F426-Y477 HydrophobicContact CD1-CE1 3.88Å; F426-Y477 HydrophobicContact CE1-CD1 4.15Å; F426-Y477 HydrophobicContact CE1-CE1 4.14Å; E471-Y477 HydrophobicContact CB-CE2 4.41Å; E471-Y477 WeakPolarHBondContact O-CD2 3.19Å; E471-Y477 WeakPolarHBondContact O-CE2 3.46Å; E471-Y477 VanDerWaalsContact OE2-CE2 3.32Å; E471-Y477 WeakPolarHBondContact OE2-CE2 3.48Å; E471-Y477 PolarHBondContact OE2-OH 2.87Å; N474-Y477 HydrophobicContact CB-CD2 3.96Å; N474-Y477 HydrophobicContact CB-CE2 4.16Å; N474-Y477 PolarHBondContact O-N 3.34Å; N474-Y477 VanDerWaalsContact O-N 3.15Å; P475-Y477 PolarHBondContact O-N 3.28Å; Y477-L479 PolarHBondContact O-N 3.47Å
478	G	69.5	Low	67.7	Low	6 Å²	6	68.7 Å²	68.7	6%	0.062	31%	0.314	C	S	.	.	S	Bend	trans	72.5	3.1	179.4	0	0	0	0	0	115	P475 Y476 N493 S496	P475-G478 PolarHBondContact O-N 2.94Å; Y476-G478 PolarHBondContact O-N 3.12Å; G478-N493 WeakPolarHBondContact O-CB 3.44Å; G478-N493 PolarHBondContact O-ND2 3.26Å; G478-S496 VanDerWaalsContact O-CA 3.3Å; G478-S496 WeakPolarHBondContact O-CA 3.4Å; G478-S496 VanDerWaalsContact O-CB 3.27Å; G478-S496 WeakPolarHBondContact O-CB 3.47Å
479	L	79.5	Confident	66.6	Low	1 Å²	1	70.9 Å²	70.9	1%	0.005	33%	0.327	C	S	.	.	S	Bend	trans	-80.2	-42.5	-177.9	-59.7	177.3	0	0	0	112.7	F426 Y477 N493 H502 Y505 F506	F426-L479 HydrophobicContact CZ-CD1 4.23Å; Y477-L479 PolarHBondContact O-N 3.47Å; L479-N493 WeakPolarHBondContact O-CB 3.29Å; L479-N493 PolarHBondContact O-N 2.95Å; L479-H502 HydrophobicContact CD2-CB 3.91Å; L479-Y505 HydrophobicContact CD1-CG 4.3Å; L479-F506 HydrophobicContact CB-CE1 4.24Å; L479-F506 HydrophobicContact CB-CZ 4.04Å; L479-F506 HydrophobicContact CD2-CE2 4.05Å; L479-F506 HydrophobicContact CD2-CZ 4.12Å; L479-F506 VanDerWaalsContact O-CZ 3.27Å; L479-F506 WeakPolarHBondContact O-CZ 3.33Å
480	F	84.6	Confident	66.1	Low	2 Å²	2	71.2 Å²	71.2	1%	0.009	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	156.3	-177.7	-61.6	-80	0	0	0	110.7	M472 L473 P475 L490 Q491 I492 F506 V509 F527 L624	M472-F480 WeakPolarHBondContact O-CD2 3.32Å; L473-F480 HydrophobicContact CD2-CD2 3.83Å; L473-F480 HydrophobicContact CD2-CE2 3.74Å; L473-F480 HydrophobicContact CD2-CG 4.37Å; L473-F480 HydrophobicContact CD2-CZ 4.21Å; P475-F480 WeakPolarHBondContact CA-O 3.47Å; P475-F480 WeakPolarHBondContact CB-O 3.42Å; F480-L490 HydrophobicContact CB-CD2 4.23Å; F480-Q491 WeakPolarHBondContact CA-O 3.41Å; F480-I492 HydrophobicContact CD1-CG1 4.28Å; F480-I492 HydrophobicContact CE1-CG1 3.89Å; F480-F506 AromaticContact CE1-CE1 3.96Å; F480-F506 HydrophobicContact CE1-CE1 3.96Å; F480-F506 HydrophobicContact CE2-CE1 4.24Å; F480-F506 HydrophobicContact CZ-CD1 4.08Å; F480-F506 AromaticContact CZ-CE1 3.75Å; F480-F506 HydrophobicContact CZ-CE1 3.75Å; F480-V509 HydrophobicContact CE2-CG1 4.4Å; F480-V509 HydrophobicContact CE2-CG2 4.27Å; F480-V509 HydrophobicContact CZ-CG1 4.07Å; F480-F527 AromaticContact CD1-CE1 3.96Å; F480-F527 HydrophobicContact CD1-CE1 3.96Å; F480-F527 HydrophobicContact CE1-CD1 4.42Å; F480-F527 AromaticContact CE1-CE1 3.58Å; F480-F527 HydrophobicContact CE1-CE1 3.58Å; F480-F527 HydrophobicContact CE1-CZ 4.37Å; F480-F527 HydrophobicContact CZ-CE1 4.06Å; F480-F527 HydrophobicContact CZ-CZ 4.45Å; F480-L624 HydrophobicContact CZ-CD1 4.35Å
481	Q	75.8	Confident	66.2	Low	69 Å²	69	69.1 Å²	69.1	32%	0.322	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	158.2	172.6	65.8	178.9	1.9	0	0	109.4	Q491 N493	Q481-Q491 HydrophobicContact CG-CG 3.64Å; Q481-Q491 PolarHBondContact N-O 3.21Å; Q481-Q491 WeakPolarHBondContact O-CG 3.48Å; Q481-Q491 PolarHBondContact O-N 3.08Å; Q481-N493 HydrophobicContact CG-CB 4.49Å
482	Y	69.1	Low	66.7	Low	122 Å²	122	66.3 Å²	66.3	48%	0.478	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	150.6	173.8	-64.8	-65.3	0	0	0	111.6	P475 T489 L490 Q491	P475-Y482 HydrophobicContact CG-CD2 4.12Å; P475-Y482 HydrophobicContact CG-CE2 3.64Å; Y482-T489 CarbonylContact C-O 3.57Å; Y482-T489 WeakPolarHBondContact CA-O 3.38Å; Y482-L490 HydrophobicContact CD1-CD2 3.75Å; Y482-L490 HydrophobicContact CD1-CG 4.42Å; Y482-L490 HydrophobicContact CE1-CD2 3.7Å; Y482-L490 HydrophobicContact CE1-CG 4.37Å; Y482-Q491 PolarHBondContact O-NE2 3.01Å
483	S	60.3	Low	66.7	Low	16 Å²	16	67 Å²	67	11%	0.112	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-65.8	159.5	161.4	-160.3	0	0	0	0	110.2	T489	S483-T489 PolarHBondContact N-O 2.67Å
484	R	50	Low	67	Low	206 Å²	206	68.7 Å²	68.7	78%	0.777	32%	0.322	S	S	*	.	S	Bend	trans	-86.5	147.9	172.3	-67.8	-172.2	-176.1	174.6	4.3	110.1	D486	R484-D486 PolarHBondContact O-N 3.16Å
485	D	43	Very low	67.5	Low	151 Å²	151	70.4 Å²	70.4	81%	0.807	33%	0.33	S	S	*	.	S	Bend	trans	70.1	-3.7	165.6	-51.9	-41	0	0	0	119.6
486	D	35.1	Very low	68.2	Low	123 Å²	123	68.7 Å²	68.7	66%	0.658	32%	0.319	S	S	*	.	S	Bend	trans	-151.5	145.5	162.7	-119.4	-22	0	0	0	117.1	R484	R484-D486 PolarHBondContact O-N 3.16Å
487	I	42.1	Very low	68.9	Low	125 Å²	125	65.1 Å²	65.1	64%	0.641	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	14.4	101	166.1	-45	172.6	0	0	0	117.1	T489	I487-T489 WeakPolarHBondContact O-CG2 3.48Å; I487-T489 PolarHBondContact O-N 2.82Å
488	Y	56	Low	69.2	Low	193 Å²	193	66.4 Å²	66.4	76%	0.757	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.6	17.5	153.4	-64.5	-84.3	0	0	0	119.8
489	T	64.3	Low	69.2	Low	46 Å²	46	66.5 Å²	66.5	28%	0.282	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	140.5	-177.3	48.5	0	0	0	0	111.4	Y482 S483 I487 G526	Y482-T489 CarbonylContact C-O 3.57Å; Y482-T489 WeakPolarHBondContact CA-O 3.38Å; S483-T489 PolarHBondContact N-O 2.67Å; I487-T489 WeakPolarHBondContact O-CG2 3.48Å; I487-T489 PolarHBondContact O-N 2.82Å; T489-G526 WeakPolarHBondContact CA-O 3.34Å
490	L	75.9	Confident	69	Low	7 Å²	7	68.7 Å²	68.7	4%	0.037	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.6	-173	-66.9	161.2	0	0	0	111.9	L473 F480 Y482 G526 F527 T528	L473-L490 HydrophobicContact CB-CD1 3.69Å; L473-L490 HydrophobicContact CD1-CD1 3.87Å; L473-L490 HydrophobicContact CD2-CD1 4.25Å; L473-L490 HydrophobicContact CG-CD1 4.13Å; F480-L490 HydrophobicContact CB-CD2 4.23Å; Y482-L490 HydrophobicContact CD1-CD2 3.75Å; Y482-L490 HydrophobicContact CD1-CG 4.42Å; Y482-L490 HydrophobicContact CE1-CD2 3.7Å; Y482-L490 HydrophobicContact CE1-CG 4.37Å; L490-G526 PolarHBondContact N-O 2.91Å; L490-F527 HydrophobicContact CB-CD1 4.11Å; L490-F527 HydrophobicContact CB-CE1 4.46Å; L490-F527 WeakPolarHBondContact O-CA 3.36Å; L490-T528 PolarHBondContact O-N 3.12Å
491	Q	80.1	Confident	68.7	Low	38 Å²	38	73.4 Å²	73.4	18%	0.178	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.7	171.7	56.1	179.3	-20.1	0	0	109.2	F480 Q481 Y482 N493	F480-Q491 WeakPolarHBondContact CA-O 3.41Å; Q481-Q491 HydrophobicContact CG-CG 3.64Å; Q481-Q491 PolarHBondContact N-O 3.21Å; Q481-Q491 WeakPolarHBondContact O-CG 3.48Å; Q481-Q491 PolarHBondContact O-N 3.08Å; Y482-Q491 PolarHBondContact O-NE2 3.01Å; Q491-N493 PolarHBondContact O-N 3.41Å
492	I	88.2	Confident	69.1	Low	5 Å²	5	71.1 Å²	71.1	3%	0.026	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	134.6	174.3	-65.4	177.6	0	0	0	108.8	F480 P494 F506 F531 I617 Q620 F621	F480-I492 HydrophobicContact CD1-CG1 4.28Å; F480-I492 HydrophobicContact CE1-CG1 3.89Å; I492-P494 WeakPolarHBondContact O-CD 3.31Å; I492-F506 HydrophobicContact CD1-CE1 4.45Å; I492-F506 HydrophobicContact CG1-CE1 4.13Å; I492-F506 HydrophobicContact CG2-CE1 3.97Å; I492-F506 HydrophobicContact CG2-CZ 3.75Å; I492-F531 HydrophobicContact CD1-CE2 4.21Å; I492-F531 HydrophobicContact CG1-CE2 4.4Å; I492-I617 HydrophobicContact CB-CB 4.2Å; I492-I617 HydrophobicContact CB-CD1 4.27Å; I492-I617 HydrophobicContact CB-CG2 4.01Å; I492-I617 HydrophobicContact CD1-CD1 4.48Å; I492-I617 HydrophobicContact CG2-CB 3.86Å; I492-I617 HydrophobicContact CG2-CG2 3.68Å; I492-Q620 HydrophobicContact CD1-CB 4.3Å; I492-Q620 HydrophobicContact CG2-CB 3.78Å; I492-Q620 HydrophobicContact CG2-CG 4.1Å; I492-F621 HydrophobicContact CD1-CB 4.02Å; I492-F621 HydrophobicContact CD1-CD2 3.99Å
493	N	83.8	Confident	70.2	Confident	16 Å²	16	68.8 Å²	68.8	9%	0.086	35%	0.352	C	S	.	.			trans	-75.2	119.6	172	-178.9	14	0	0	0	110	G478 L479 Q481 Q491 D495 S496	G478-N493 WeakPolarHBondContact O-CB 3.44Å; G478-N493 PolarHBondContact O-ND2 3.26Å; L479-N493 WeakPolarHBondContact O-CB 3.29Å; L479-N493 PolarHBondContact O-N 2.95Å; Q481-N493 HydrophobicContact CG-CB 4.49Å; Q491-N493 PolarHBondContact O-N 3.41Å; N493-D495 PolarHBondContact O-N 3.42Å; N493-D495 PolarHBondContact OD1-N 3.16Å; N493-S496 WeakPolarHBondContact O-CB 3.47Å; N493-S496 PolarHBondContact O-N 3.08Å; N493-S496 VanDerWaalsContact O-N 3.15Å; N493-S496 PolarHBondContact O-OG 3.17Å
494	P	83.4	Confident	71.7	Confident	46 Å²	46	69.6 Å²	69.6	30%	0.299	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-57.2	-37	173	-23.1	34.8	0	0	0	112.3	I492 S496 I617	I492-P494 WeakPolarHBondContact O-CD 3.31Å; P494-S496 PolarHBondContact O-N 2.85Å; P494-I617 HydrophobicContact CB-CG2 4.26Å; P494-I617 HydrophobicContact CG-CG2 3.99Å
495	D	79.3	Confident	73.6	Confident	77 Å²	77	60.4 Å²	60.4	41%	0.412	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-80.9	8.5	-178	-61.4	-23.9	0	0	0	113	N493 A497 V498 Y579	N493-D495 PolarHBondContact O-N 3.42Å; N493-D495 PolarHBondContact OD1-N 3.16Å; D495-A497 PolarHBondContact O-N 3.15Å; D495-V498 VanDerWaalsContact O-CG2 3.3Å; D495-V498 WeakPolarHBondContact O-CG2 3.41Å; D495-V498 PolarHBondContact O-N 2.67Å; D495-Y579 PolarHBondContact OD1-OH 2.9Å
496	S	82.9	Confident	76	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.007	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-56.7	-17.7	178.6	50.9	0	0	0	0	114.4	G478 N493 P494 V498 N499 H502 Q620	G478-S496 VanDerWaalsContact O-CA 3.3Å; G478-S496 WeakPolarHBondContact O-CA 3.4Å; G478-S496 VanDerWaalsContact O-CB 3.27Å; G478-S496 WeakPolarHBondContact O-CB 3.47Å; N493-S496 WeakPolarHBondContact O-CB 3.47Å; N493-S496 PolarHBondContact O-N 3.08Å; N493-S496 VanDerWaalsContact O-N 3.15Å; N493-S496 PolarHBondContact O-OG 3.17Å; P494-S496 PolarHBondContact O-N 2.85Å; S496-V498 PolarHBondContact O-N 3.42Å; S496-V498 VanDerWaalsContact O-N 3.12Å; S496-N499 PolarHBondContact O-N 3.39Å; S496-H502 VanDerWaalsContact O-CB 3.27Å; S496-H502 WeakPolarHBondContact O-CB 3.26Å; S496-H502 PolarHBondContact OG-ND1 3.45Å; S496-H502 VanDerWaalsContact OG-ND1 3.12Å; S496-Q620 WeakPolarHBondContact OG-CG 3.13Å; S496-Q620 PolarHBondContact OG-NE2 3.2Å; S496-Q620 VanDerWaalsContact OG-NE2 3.09Å
497	A	77.8	Confident	78.9	Confident	64 Å²	64	48.6 Å²	48.6	53%	0.529	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-60.7	-12.7	171.9	0	0	0	0	0	114.3	D495 N499	D495-A497 PolarHBondContact O-N 3.15Å; A497-N499 PolarHBondContact O-N 2.97Å
498	V	72.8	Confident	81.4	Confident	81 Å²	81	42.6 Å²	42.6	49%	0.491	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-54.8	-36.2	164.9	170.6	0	0	0	0	111	D495 S496	D495-V498 VanDerWaalsContact O-CG2 3.3Å; D495-V498 WeakPolarHBondContact O-CG2 3.41Å; D495-V498 PolarHBondContact O-N 2.67Å; S496-V498 PolarHBondContact O-N 3.42Å; S496-V498 VanDerWaalsContact O-N 3.12Å
499	N	69.9	Low	83.2	Confident	7 Å²	7	33.4 Å²	33.4	4%	0.037	19%	0.193	C	C	.	.	S	Bend	trans	-87.6	114.4	168.8	178.6	-12	0	0	0	109.4	S496 A497 E501 H502 Y505	S496-N499 PolarHBondContact O-N 3.39Å; A497-N499 PolarHBondContact O-N 2.97Å; N499-E501 PolarHBondContact O-N 3.31Å; N499-E501 PolarHBondContact OD1-N 3.37Å; N499-H502 HydrophobicContact CB-CB 4.16Å; N499-H502 WeakPolarHBondContact O-CB 3.31Å; N499-H502 PolarHBondContact O-CD2 2.99Å; N499-H502 PolarHBondContact O-N 3.05Å; N499-Y505 WeakPolarHBondContact ND2-CD2 3.49Å; N499-Y505 VanDerWaalsContact ND2-CE2 3.32Å; N499-Y505 WeakPolarHBondContact ND2-CE2 3.34Å
500	P	74.3	Confident	84.7	Confident	48 Å²	48	31.2 Å²	31.2	31%	0.312	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.5	-174.9	28.9	-37.2	0	0	0	113.7
501	E	79.1	Confident	85.6	Confident	101 Å²	101	31.8 Å²	31.8	47%	0.472	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	8.8	178	-59.4	-63.2	127.2	0	0	111.6	N499 L503 S504 Y505	N499-E501 PolarHBondContact O-N 3.31Å; N499-E501 PolarHBondContact OD1-N 3.37Å; E501-L503 VanDerWaalsContact C-N 3.28Å; E501-L503 PolarHBondContact O-N 3.35Å; E501-L503 VanDerWaalsContact O-N 3.13Å; E501-S504 WeakPolarHBondContact O-CA 3.34Å; E501-S504 VanDerWaalsContact O-CB 3.32Å; E501-S504 WeakPolarHBondContact O-CB 3.25Å; E501-S504 PolarHBondContact O-N 3.32Å; E501-Y505 HydrophobicContact CB-CD2 4.05Å; E501-Y505 HydrophobicContact CB-CE2 3.74Å; E501-Y505 WeakPolarHBondContact O-CD2 3.35Å; E501-Y505 PolarHBondContact O-N 3.27Å
502	H	84.6	Confident	86.3	Confident	21 Å²	21	30 Å²	30	10%	0.097	17%	0.172	C	C	.	.	H	α-helix	trans	-51.4	-41.7	-173.3	72.9	133.4	0	0	0	113.4	L479 S496 N499 S504 Y505 F506	L479-H502 HydrophobicContact CD2-CB 3.91Å; S496-H502 VanDerWaalsContact O-CB 3.27Å; S496-H502 WeakPolarHBondContact O-CB 3.26Å; S496-H502 PolarHBondContact OG-ND1 3.45Å; S496-H502 VanDerWaalsContact OG-ND1 3.12Å; N499-H502 HydrophobicContact CB-CB 4.16Å; N499-H502 WeakPolarHBondContact O-CB 3.31Å; N499-H502 PolarHBondContact O-CD2 2.99Å; N499-H502 PolarHBondContact O-N 3.05Å; H502-S504 VanDerWaalsContact C-N 3.28Å; H502-S504 PolarHBondContact O-N 2.9Å; H502-Y505 CarbonylContact O-C 3.6Å; H502-Y505 PolarHBondContact O-N 2.89Å; H502-Y505 VanDerWaalsContact O-N 3.13Å; H502-F506 HydrophobicContact CB-CD2 4.33Å; H502-F506 HydrophobicContact CB-CE2 4.02Å; H502-F506 AromaticContact ND1-CE2 3.81Å; H502-F506 WeakPolarHBondContact O-CD2 3.19Å; H502-F506 PolarHBondContact O-N 2.94Å
503	L	91.5	Very high	86.5	Confident	73 Å²	73	29.8 Å²	29.8	38%	0.382	17%	0.171	S	C	.	.	H	α-helix	trans	-61	-35.6	176.9	-57.4	-175.3	0	0	0	112.7	E501 H507 A619 Q620 A623	E501-L503 VanDerWaalsContact C-N 3.28Å; E501-L503 PolarHBondContact O-N 3.35Å; E501-L503 VanDerWaalsContact O-N 3.13Å; L503-H507 WeakPolarHBondContact O-CB 3.2Å; L503-H507 PolarHBondContact O-N 3.39Å; L503-A619 HydrophobicContact CD2-CB 3.84Å; L503-Q620 HydrophobicContact CD2-CG 4.21Å; L503-A623 HydrophobicContact CB-CB 4.4Å; L503-A623 WeakPolarHBondContact O-CB 3.32Å
504	S	92.4	Very high	87	Confident	33 Å²	33	29 Å²	29	23%	0.231	17%	0.167	C	C	.	.	H	α-helix	trans	-71.6	-38.7	175.5	-167.3	0	0	0	0	111.2	Y430 M434 E501 H502 H507 F508	Y430-S504 VanDerWaalsContact OH-CB 3.28Å; Y430-S504 WeakPolarHBondContact OH-CB 3.37Å; Y430-S504 PolarHBondContact OH-OG 3.42Å; M434-S504 WeakPolarHBondContact CE-OG 3.4Å; E501-S504 WeakPolarHBondContact O-CA 3.34Å; E501-S504 VanDerWaalsContact O-CB 3.32Å; E501-S504 WeakPolarHBondContact O-CB 3.25Å; E501-S504 PolarHBondContact O-N 3.32Å; H502-S504 VanDerWaalsContact C-N 3.28Å; H502-S504 PolarHBondContact O-N 2.9Å; S504-H507 PolarHBondContact O-N 3.09Å; S504-F508 WeakPolarHBondContact O-CB 3.13Å; S504-F508 PolarHBondContact O-N 3.02Å
505	Y	89.1	Confident	87.4	Confident	13 Å²	13	26.9 Å²	26.9	5%	0.051	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-40.7	171.3	-70	-67.4	0	0	0	112.5	F426 E427 Y430 L479 N499 E501 H502 F508 V509	F426-Y505 AromaticContact CE1-CD1 3.71Å; F426-Y505 HydrophobicContact CE1-CD1 3.71Å; F426-Y505 AromaticContact CE1-CE1 3.54Å; F426-Y505 HydrophobicContact CE1-CE1 3.54Å; F426-Y505 AromaticContact CZ-CD1 3.5Å; F426-Y505 HydrophobicContact CZ-CD1 3.5Å; F426-Y505 VanDerWaalsContact CZ-CD1 3.5Å; F426-Y505 AromaticContact CZ-CE1 3.85Å; F426-Y505 HydrophobicContact CZ-CE1 3.85Å; F426-Y505 HydrophobicContact CZ-CG 4.34Å; E427-Y505 PolarHBondContact OE1-OH 3.49Å; Y430-Y505 AromaticContact CD1-CE1 3.78Å; Y430-Y505 HydrophobicContact CD1-CE1 3.78Å; Y430-Y505 AromaticContact CD2-CD1 3.9Å; Y430-Y505 HydrophobicContact CD2-CD1 3.9Å; Y430-Y505 AromaticContact CD2-CE1 4Å; Y430-Y505 HydrophobicContact CD2-CE1 4Å; Y430-Y505 AromaticContact CE1-CE1 3.94Å; Y430-Y505 HydrophobicContact CE1-CE1 3.94Å; Y430-Y505 HydrophobicContact CE2-CD1 4.01Å; Y430-Y505 HydrophobicContact CE2-CE1 4.15Å; Y430-Y505 HydrophobicContact CG-CD1 4.17Å; Y430-Y505 AromaticContact CG-CE1 3.83Å; Y430-Y505 HydrophobicContact CG-CE1 3.83Å; L479-Y505 HydrophobicContact CD1-CG 4.3Å; N499-Y505 WeakPolarHBondContact ND2-CD2 3.49Å; N499-Y505 VanDerWaalsContact ND2-CE2 3.32Å; N499-Y505 WeakPolarHBondContact ND2-CE2 3.34Å; E501-Y505 HydrophobicContact CB-CD2 4.05Å; E501-Y505 HydrophobicContact CB-CE2 3.74Å; E501-Y505 WeakPolarHBondContact O-CD2 3.35Å; E501-Y505 PolarHBondContact O-N 3.27Å; H502-Y505 CarbonylContact O-C 3.6Å; H502-Y505 PolarHBondContact O-N 2.89Å; H502-Y505 VanDerWaalsContact O-N 3.13Å; Y505-F508 WeakPolarHBondContact O-CB 3.36Å; Y505-F508 PolarHBondContact O-N 3.43Å; Y505-V509 WeakPolarHBondContact O-CG2 3.41Å; Y505-V509 PolarHBondContact O-N 3.44Å
506	F	94.3	Very high	87.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.3	-41.7	173.2	-74.1	-63.8	0	0	0	111.9	L479 F480 I492 H502 F508 V509 G510 Q620 A623 L624	L479-F506 HydrophobicContact CB-CE1 4.24Å; L479-F506 HydrophobicContact CB-CZ 4.04Å; L479-F506 HydrophobicContact CD2-CE2 4.05Å; L479-F506 HydrophobicContact CD2-CZ 4.12Å; L479-F506 VanDerWaalsContact O-CZ 3.27Å; L479-F506 WeakPolarHBondContact O-CZ 3.33Å; F480-F506 AromaticContact CE1-CE1 3.96Å; F480-F506 HydrophobicContact CE1-CE1 3.96Å; F480-F506 HydrophobicContact CE2-CE1 4.24Å; F480-F506 HydrophobicContact CZ-CD1 4.08Å; F480-F506 AromaticContact CZ-CE1 3.75Å; F480-F506 HydrophobicContact CZ-CE1 3.75Å; I492-F506 HydrophobicContact CD1-CE1 4.45Å; I492-F506 HydrophobicContact CG1-CE1 4.13Å; I492-F506 HydrophobicContact CG2-CE1 3.97Å; I492-F506 HydrophobicContact CG2-CZ 3.75Å; H502-F506 HydrophobicContact CB-CD2 4.33Å; H502-F506 HydrophobicContact CB-CE2 4.02Å; H502-F506 AromaticContact ND1-CE2 3.81Å; H502-F506 WeakPolarHBondContact O-CD2 3.19Å; H502-F506 PolarHBondContact O-N 2.94Å; F506-F508 VanDerWaalsContact C-N 3.3Å; F506-F508 PolarHBondContact O-N 3.33Å; F506-V509 PolarHBondContact O-N 3.27Å; F506-G510 PolarHBondContact O-N 2.93Å; F506-Q620 WeakPolarHBondContact CB-O 3.45Å; F506-Q620 HydrophobicContact CD1-CB 4.39Å; F506-Q620 HydrophobicContact CD2-CB 3.52Å; F506-Q620 HydrophobicContact CD2-CG 3.61Å; F506-Q620 HydrophobicContact CE1-CB 4.38Å; F506-Q620 HydrophobicContact CE2-CB 3.54Å; F506-Q620 HydrophobicContact CE2-CG 3.27Å; F506-Q620 HydrophobicContact CG-CB 4Å; F506-Q620 HydrophobicContact CZ-CB 3.98Å; F506-Q620 HydrophobicContact CZ-CG 3.95Å; F506-A623 HydrophobicContact CB-CB 4.07Å; F506-L624 HydrophobicContact CB-CB 4.22Å; F506-L624 HydrophobicContact CD1-CD1 4.32Å; F506-L624 VanDerWaalsContact O-CA 3.27Å; F506-L624 WeakPolarHBondContact O-CA 3.5Å
507	H	95.4	Very high	88.3	Confident	25 Å²	25	23.6 Å²	23.6	12%	0.116	14%	0.136	C	C	.	.	H	α-helix	trans	-60.2	-39.6	173.5	-174.2	-136.2	0	0	0	112.1	M434 L503 S504 R511 A623 G627 E630	M434-H507 HydrophobicContact CE-CB 4.12Å; M434-H507 VanDerWaalsContact CE-ND1 3.27Å; M434-H507 WeakPolarHBondContact CE-ND1 3.39Å; L503-H507 WeakPolarHBondContact O-CB 3.2Å; L503-H507 PolarHBondContact O-N 3.39Å; S504-H507 PolarHBondContact O-N 3.09Å; H507-R511 PolarHBondContact O-N 3.36Å; H507-R511 VanDerWaalsContact O-N 3.09Å; H507-A623 WeakPolarHBondContact CA-O 3.36Å; H507-A623 HydrophobicContact CB-CB 4.44Å; H507-A623 PolarHBondContact CD2-O 2.91Å; H507-G627 WeakPolarHBondContact CD2-CA 3.33Å; H507-G627 PolarHBondContact CD2-N 3.02Å; H507-E630 IonicContact CD2-OE1 2.96Å; H507-E630 IonicContact CE1-OE1 3.37Å; H507-E630 PolarHBondContact CE1-OE1 3.18Å; H507-E630 IonicContact CE1-OE2 3.58Å; H507-E630 VanDerWaalsContact NE2-CD 3.32Å; H507-E630 IonicContact NE2-OE1 2.71Å; H507-E630 PolarHBondContact NE2-OE1 2.78Å; H507-E630 IonicContact NE2-OE2 3.2Å; H507-E630 PolarHBondContact NE2-OE2 3.26Å
508	F	95	Very high	88.9	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.9	-50.1	171.7	168.1	-115.6	0	0	0	113	F426 Y430 V433 M434 L468 S504 Y505 F506 G510 R511 I512	F426-F508 HydrophobicContact CD2-CE1 4.11Å; F426-F508 HydrophobicContact CE2-CD1 4.22Å; F426-F508 AromaticContact CE2-CE1 3.79Å; F426-F508 HydrophobicContact CE2-CE1 3.79Å; Y430-F508 HydrophobicContact CD2-CB 3.71Å; Y430-F508 HydrophobicContact CD2-CD1 4Å; Y430-F508 HydrophobicContact CD2-CD2 4.27Å; Y430-F508 AromaticContact CD2-CG 3.74Å; Y430-F508 HydrophobicContact CD2-CG 3.74Å; Y430-F508 HydrophobicContact CE2-CB 4.16Å; V433-F508 HydrophobicContact CB-CD2 3.97Å; V433-F508 HydrophobicContact CB-CE2 3.77Å; V433-F508 HydrophobicContact CG1-CD2 3.99Å; V433-F508 HydrophobicContact CG1-CE2 4.1Å; V433-F508 HydrophobicContact CG2-CE2 4.08Å; M434-F508 HydrophobicContact CG-CB 4.02Å; M434-F508 HydrophobicContact CG-CD2 4.27Å; M434-F508 HydrophobicContact SD-CB 3.66Å; M434-F508 HydrophobicContact SD-CD2 4.48Å; L468-F508 HydrophobicContact CD1-CE1 4.34Å; L468-F508 HydrophobicContact CD1-CZ 4.11Å; L468-F508 HydrophobicContact CD2-CZ 3.99Å; S504-F508 WeakPolarHBondContact O-CB 3.13Å; S504-F508 PolarHBondContact O-N 3.02Å; Y505-F508 WeakPolarHBondContact O-CB 3.36Å; Y505-F508 PolarHBondContact O-N 3.43Å; F506-F508 VanDerWaalsContact C-N 3.3Å; F506-F508 PolarHBondContact O-N 3.33Å; F508-G510 VanDerWaalsContact C-N 3.26Å; F508-G510 PolarHBondContact O-N 2.95Å; F508-R511 WeakPolarHBondContact O-CA 3.45Å; F508-R511 WeakPolarHBondContact O-CB 3.47Å; F508-R511 PolarHBondContact O-N 2.89Å; F508-I512 HydrophobicContact CD2-CD1 4.36Å; F508-I512 HydrophobicContact CD2-CG1 3.99Å; F508-I512 HydrophobicContact CE1-CG1 4.3Å; F508-I512 HydrophobicContact CE2-CD1 3.63Å; F508-I512 HydrophobicContact CE2-CG1 3.56Å; F508-I512 HydrophobicContact CZ-CD1 4.01Å; F508-I512 HydrophobicContact CZ-CG1 3.74Å; F508-I512 WeakPolarHBondContact O-CG1 3.16Å; F508-I512 PolarHBondContact O-N 3Å
509	V	93.6	Very high	89.6	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-56	-43.5	176.4	171	0	0	0	0	110.5	M472 F480 Y505 F506 R511 I512 M513 L624	M472-V509 HydrophobicContact CB-CG2 4.19Å; M472-V509 HydrophobicContact CG-CG2 4.25Å; M472-V509 HydrophobicContact SD-CB 4.24Å; M472-V509 HydrophobicContact SD-CG1 3.83Å; M472-V509 HydrophobicContact SD-CG2 3.85Å; F480-V509 HydrophobicContact CE2-CG1 4.4Å; F480-V509 HydrophobicContact CE2-CG2 4.27Å; F480-V509 HydrophobicContact CZ-CG1 4.07Å; Y505-V509 WeakPolarHBondContact O-CG2 3.41Å; Y505-V509 PolarHBondContact O-N 3.44Å; F506-V509 PolarHBondContact O-N 3.27Å; V509-R511 PolarHBondContact O-N 2.86Å; V509-I512 PolarHBondContact O-N 3.25Å; V509-M513 HydrophobicContact CG1-CG 4.4Å; V509-M513 HydrophobicContact CG1-SD 4.28Å; V509-M513 WeakPolarHBondContact O-CG 3.37Å; V509-M513 PolarHBondContact O-N 3.29Å; V509-L624 HydrophobicContact CB-CD1 4.39Å; V509-L624 HydrophobicContact CG1-CD1 3.87Å
510	G	94.5	Very high	90.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.7	-46.3	173.6	0	0	0	0	0	112.9	F506 F508 M513 G514 L624 F628	F506-G510 PolarHBondContact O-N 2.93Å; F508-G510 VanDerWaalsContact C-N 3.26Å; F508-G510 PolarHBondContact O-N 2.95Å; G510-M513 PolarHBondContact O-N 2.96Å; G510-G514 PolarHBondContact O-N 2.68Å; G510-L624 WeakPolarHBondContact CA-O 3.3Å; G510-F628 VanDerWaalsContact C-N 3.32Å; G510-F628 WeakPolarHBondContact O-CA 3.09Å; G510-F628 PolarHBondContact O-N 3.46Å
511	R	95.3	Very high	90.9	Very high	18 Å²	18	18.7 Å²	18.7	7%	0.068	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-42.1	174.8	-76.2	179.9	168	-164.4	2.4	112.2	V433 M434 M436 L441 H507 F508 V509 G514 M515 G627 E630 V631	V433-R511 HydrophobicContact CG1-CB 4.11Å; V433-R511 PolarHBondContact O-NH1 3.17Å; M434-R511 PolarHBondContact O-NH1 2.91Å; M436-R511 PolarHBondContact O-NH1 2.88Å; L441-R511 HydrophobicContact CD1-CB 4.46Å; L441-R511 HydrophobicContact CD1-CG 4.34Å; H507-R511 PolarHBondContact O-N 3.36Å; H507-R511 VanDerWaalsContact O-N 3.09Å; F508-R511 WeakPolarHBondContact O-CA 3.45Å; F508-R511 WeakPolarHBondContact O-CB 3.47Å; F508-R511 PolarHBondContact O-N 2.89Å; V509-R511 PolarHBondContact O-N 2.86Å; R511-G514 PolarHBondContact O-N 3.42Å; R511-M515 WeakPolarHBondContact O-CB 3.46Å; R511-M515 VanDerWaalsContact O-CG 3.29Å; R511-M515 WeakPolarHBondContact O-CG 3.49Å; R511-M515 PolarHBondContact O-N 3.23Å; R511-G627 WeakPolarHBondContact CA-O 3.27Å; R511-G627 WeakPolarHBondContact CG-O 3.3Å; R511-E630 IonicContact CZ-OE2 2.66Å; R511-E630 VanDerWaalsContact CZ-OE2 3.23Å; R511-E630 IonicContact NE-OE2 2.66Å; R511-E630 PolarHBondContact NE-OE2 3.23Å; R511-E630 IonicContact NH2-OE2 3.56Å; R511-E630 PolarHBondContact NH2-OE2 2.84Å; R511-V631 HydrophobicContact CB-CG2 4.49Å; R511-V631 HydrophobicContact CG-CG2 4.42Å
512	I	94.7	Very high	91.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66	-44.1	178.2	-62	-62.6	0	0	0	111.4	V433 W464 L465 L468 M472 F508 V509 G514 M515 A516 I523	V433-I512 HydrophobicContact CG1-CD1 4.3Å; V433-I512 HydrophobicContact CG2-CD1 4.11Å; W464-I512 HydrophobicContact CH2-CD1 3.63Å; W464-I512 HydrophobicContact CZ2-CD1 4.02Å; L465-I512 HydrophobicContact CD2-CG2 3.53Å; L468-I512 HydrophobicContact CD2-CD1 3.71Å; L468-I512 HydrophobicContact CD2-CG1 3.99Å; L468-I512 HydrophobicContact CD2-CG2 4.19Å; M472-I512 HydrophobicContact CE-CB 3.96Å; M472-I512 HydrophobicContact CE-CG1 4.32Å; M472-I512 HydrophobicContact CE-CG2 3.41Å; M472-I512 VanDerWaalsContact CE-CG2 3.41Å; F508-I512 HydrophobicContact CD2-CD1 4.36Å; F508-I512 HydrophobicContact CD2-CG1 3.99Å; F508-I512 HydrophobicContact CE1-CG1 4.3Å; F508-I512 HydrophobicContact CE2-CD1 3.63Å; F508-I512 HydrophobicContact CE2-CG1 3.56Å; F508-I512 HydrophobicContact CZ-CD1 4.01Å; F508-I512 HydrophobicContact CZ-CG1 3.74Å; F508-I512 WeakPolarHBondContact O-CG1 3.16Å; F508-I512 PolarHBondContact O-N 3Å; V509-I512 PolarHBondContact O-N 3.25Å; I512-G514 VanDerWaalsContact C-N 3.29Å; I512-G514 PolarHBondContact O-N 3.28Å; I512-M515 HydrophobicContact CD1-SD 4.28Å; I512-M515 PolarHBondContact O-N 3.3Å; I512-A516 PolarHBondContact O-N 3.47Å; I512-I523 HydrophobicContact CG2-CD1 4.31Å
513	M	93.3	Very high	91.2	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-55.5	-44.9	171.1	-73.3	-178.9	73.6	0	0	111.8	V509 G510 A516 V517 I523 F527 F531 L535 L624 F628 V649	V509-M513 HydrophobicContact CG1-CG 4.4Å; V509-M513 HydrophobicContact CG1-SD 4.28Å; V509-M513 WeakPolarHBondContact O-CG 3.37Å; V509-M513 PolarHBondContact O-N 3.29Å; G510-M513 PolarHBondContact O-N 2.96Å; M513-A516 PolarHBondContact O-N 2.94Å; M513-V517 WeakPolarHBondContact O-CG2 3.29Å; M513-V517 PolarHBondContact O-N 3.34Å; M513-I523 HydrophobicContact CB-CD1 4.16Å; M513-I523 HydrophobicContact CG-CD1 3.71Å; M513-F527 HydrophobicContact CE-CD2 4.23Å; M513-F527 HydrophobicContact CE-CE2 3.8Å; M513-F527 HydrophobicContact SD-CE2 3.87Å; M513-F527 HydrophobicContact SD-CZ 4.23Å; M513-F531 HydrophobicContact CE-CE1 3.79Å; M513-F531 HydrophobicContact CE-CZ 4.27Å; M513-F531 HydrophobicContact SD-CE1 4.31Å; M513-F531 HydrophobicContact SD-CZ 4.21Å; M513-L535 HydrophobicContact CE-CD2 3.98Å; M513-L624 HydrophobicContact SD-CD1 4.39Å; M513-L624 HydrophobicContact SD-CD2 4.07Å; M513-F628 HydrophobicContact CB-CD2 3.71Å; M513-F628 HydrophobicContact CB-CE2 4.09Å; M513-V649 HydrophobicContact CE-CG1 4.11Å
514	G	93.1	Very high	90.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.2	-41.4	176.6	0	0	0	0	0	112.5	G510 R511 I512 V517 F518 V631 I632	G510-G514 PolarHBondContact O-N 2.68Å; R511-G514 PolarHBondContact O-N 3.42Å; I512-G514 VanDerWaalsContact C-N 3.29Å; I512-G514 PolarHBondContact O-N 3.28Å; G514-V517 PolarHBondContact O-N 2.85Å; G514-F518 VanDerWaalsContact O-CB 3.27Å; G514-F518 WeakPolarHBondContact O-CB 3.37Å; G514-F518 PolarHBondContact O-N 2.86Å; G514-V631 VanDerWaalsContact C-CG1 3.49Å; G514-I632 WeakPolarHBondContact O-CG1 3.43Å
515	M	92.4	Very high	89.1	Confident	1 Å²	1	11 Å²	11	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-65.3	-40.8	176.9	-75.1	174.2	67.7	0	0	112.5	I418 V433 L441 L445 W464 R511 I512 F518 H519 V631	I418-M515 HydrophobicContact CD1-CE 4.31Å; V433-M515 HydrophobicContact CG1-SD 4.18Å; L441-M515 HydrophobicContact CB-CG 4.26Å; L441-M515 HydrophobicContact CB-SD 4.32Å; L441-M515 HydrophobicContact CD1-SD 4.27Å; L441-M515 HydrophobicContact CD2-CE 4.4Å; L441-M515 HydrophobicContact CD2-SD 3.87Å; L441-M515 HydrophobicContact CG-SD 4.37Å; L445-M515 HydrophobicContact CD1-CE 3.7Å; L445-M515 HydrophobicContact CD2-CE 4.35Å; W464-M515 HydrophobicContact CH2-CE 4.09Å; W464-M515 HydrophobicContact CZ3-CE 4.33Å; R511-M515 WeakPolarHBondContact O-CB 3.46Å; R511-M515 VanDerWaalsContact O-CG 3.29Å; R511-M515 WeakPolarHBondContact O-CG 3.49Å; R511-M515 PolarHBondContact O-N 3.23Å; I512-M515 HydrophobicContact CD1-SD 4.28Å; I512-M515 PolarHBondContact O-N 3.3Å; M515-F518 PolarHBondContact O-N 2.73Å; M515-H519 PolarHBondContact O-CD2 3.31Å; M515-H519 VanDerWaalsContact O-CD2 3.23Å; M515-H519 PolarHBondContact O-N 2.71Å; M515-V631 HydrophobicContact CG-CG1 4.34Å
516	A	90.6	Very high	88.3	Confident	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59	-51	176.1	0	0	0	0	0	110.6	L465 I512 M513 F518 G520 H521 I523	L465-A516 HydrophobicContact CD1-CB 4.17Å; L465-A516 HydrophobicContact CD2-CB 4.5Å; I512-A516 PolarHBondContact O-N 3.47Å; M513-A516 PolarHBondContact O-N 2.94Å; A516-F518 PolarHBondContact O-N 2.84Å; A516-G520 PolarHBondContact O-N 3.38Å; A516-H521 CarbonylContact C-O 3.59Å; A516-H521 PolarHBondContact O-N 3.36Å; A516-H521 VanDerWaalsContact O-O 3.07Å; A516-I523 HydrophobicContact CB-CD1 3.88Å; A516-I523 HydrophobicContact CB-CG1 3.71Å
517	V	90.3	Very high	87.7	Confident	10 Å²	10	11.4 Å²	11.4	6%	0.061	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-41.7	175.7	177.5	0	0	0	0	111.9	M513 G514 G520 F628 I632 I648 V649	M513-V517 WeakPolarHBondContact O-CG2 3.29Å; M513-V517 PolarHBondContact O-N 3.34Å; G514-V517 PolarHBondContact O-N 2.85Å; V517-G520 PolarHBondContact O-N 3.48Å; V517-F628 HydrophobicContact CG2-CE2 4.33Å; V517-I632 HydrophobicContact CB-CD1 4.13Å; V517-I632 HydrophobicContact CB-CG1 4.18Å; V517-I632 HydrophobicContact CG1-CD1 3.9Å; V517-I632 HydrophobicContact CG1-CG1 4.17Å; V517-I648 HydrophobicContact CG1-CG2 3.84Å; V517-I648 HydrophobicContact CG2-CG2 4.07Å; V517-V649 HydrophobicContact CG2-CG2 3.8Å
518	F	91.3	Very high	86.7	Confident	17 Å²	17	10.9 Å²	10.9	8%	0.075	7%	0.065	C	C	.	.	H	α-helix	trans	-63.7	-47.9	-178	-169.2	-79.8	0	0	0	112.3	L406 Q410 W442 G514 M515 A516 G520 V631 I632	L406-F518 HydrophobicContact CB-CD2 4.43Å; L406-F518 HydrophobicContact CB-CE2 4.29Å; L406-F518 HydrophobicContact CD2-CD2 3.83Å; L406-F518 HydrophobicContact CD2-CE2 4.01Å; Q410-F518 HydrophobicContact CB-CE1 4.25Å; Q410-F518 HydrophobicContact CB-CZ 4.15Å; W442-F518 HydrophobicContact CB-CE1 4.1Å; W442-F518 HydrophobicContact CB-CE2 4.12Å; W442-F518 HydrophobicContact CB-CZ 3.67Å; W442-F518 AromaticContact CD1-CD2 3.62Å; W442-F518 AromaticContact CD1-CE2 3.33Å; W442-F518 AromaticContact CD1-CZ 3.79Å; W442-F518 HydrophobicContact CG-CD2 4.47Å; W442-F518 AromaticContact CG-CE2 3.79Å; W442-F518 HydrophobicContact CG-CE2 3.79Å; W442-F518 AromaticContact CG-CZ 3.87Å; W442-F518 HydrophobicContact CG-CZ 3.87Å; W442-F518 AromaticContact NE1-CE2 3.89Å; W442-F518 WeakPolarHBondContact O-CE1 3.48Å; G514-F518 VanDerWaalsContact O-CB 3.27Å; G514-F518 WeakPolarHBondContact O-CB 3.37Å; G514-F518 PolarHBondContact O-N 2.86Å; M515-F518 PolarHBondContact O-N 2.73Å; A516-F518 PolarHBondContact O-N 2.84Å; F518-G520 VanDerWaalsContact C-N 3.33Å; F518-V631 HydrophobicContact CB-CG1 4.04Å; F518-V631 HydrophobicContact CD2-CG1 4.29Å; F518-V631 HydrophobicContact CG-CG1 4.38Å; F518-I632 HydrophobicContact CB-CD1 3.85Å; F518-I632 HydrophobicContact CD2-CD1 4.11Å; F518-I632 HydrophobicContact CG-CD1 4.49Å
519	H	87.3	Confident	85.7	Confident	37 Å²	37	13 Å²	13	17%	0.171	8%	0.076	C	C	.	.	H	α-helix	trans	-87.4	-0.9	-177.3	-63.6	-67.4	0	0	0	113.3	L441 K443 M515	L441-H519 PolarHBondContact O-NE2 3.25Å; K443-H519 PolarHBondContact O-CE1 2.92Å; M515-H519 PolarHBondContact O-CD2 3.31Å; M515-H519 VanDerWaalsContact O-CD2 3.23Å; M515-H519 PolarHBondContact O-N 2.71Å
520	G	84.4	Confident	85.1	Confident	18 Å²	18	13 Å²	13	19%	0.186	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	36.5	178.5	0	0	0	0	0	113.6	A516 V517 F518	A516-G520 PolarHBondContact O-N 3.38Å; V517-G520 PolarHBondContact O-N 3.48Å; F518-G520 VanDerWaalsContact C-N 3.33Å
521	H	85.9	Confident	84.7	Confident	25 Å²	25	13.4 Å²	13.4	12%	0.116	8%	0.078	C	C	.	.			trans	-108.3	163.9	174.6	-60.5	-27.9	0	0	0	110.4	L465 A516	L465-H521 HydrophobicContact CD1-CB 3.33Å; A516-H521 CarbonylContact C-O 3.59Å; A516-H521 PolarHBondContact O-N 3.36Å; A516-H521 VanDerWaalsContact O-O 3.07Å
522	Y	84.7	Confident	84.3	Confident	26 Å²	26	12.5 Å²	12.5	10%	0.102	8%	0.075	C	C	.	.			trans	-114	144.5	-178.8	-50	-63.8	0	0	0	110.4	V649 R703 P705	Y522-V649 CarbonylContact C-O 3.56Å; Y522-V649 WeakPolarHBondContact CA-O 3.26Å; Y522-R703 HydrophobicContact CD2-CB 4.08Å; Y522-R703 HydrophobicContact CG-CB 4.25Å; Y522-P705 HydrophobicContact CE2-CG 4.25Å; Y522-P705 WeakPolarHBondContact OH-CA 3.35Å; Y522-P705 WeakPolarHBondContact OH-CB 3.36Å
523	I	85.3	Confident	83.7	Confident	1 Å²	1	13.5 Å²	13.5	1%	0.005	8%	0.079	C	C	.	.			trans	-92.8	135.2	172.5	-74.5	179.3	0	0	0	108.2	L473 I512 M513 A516 G525 V649	L473-I523 HydrophobicContact CD1-CG2 4.29Å; I512-I523 HydrophobicContact CG2-CD1 4.31Å; M513-I523 HydrophobicContact CB-CD1 4.16Å; M513-I523 HydrophobicContact CG-CD1 3.71Å; A516-I523 HydrophobicContact CB-CD1 3.88Å; A516-I523 HydrophobicContact CB-CG1 3.71Å; I523-G525 PolarHBondContact O-N 3.4Å; I523-V649 HydrophobicContact CB-CG1 4.33Å; I523-V649 HydrophobicContact CD1-CG1 4.45Å; I523-V649 PolarHBondContact N-O 3.28Å
524	D	74.1	Confident	83.5	Confident	24 Å²	24	14.5 Å²	14.5	13%	0.128	8%	0.083	C	C	.	.	S	Bend	trans	-90	107.2	174.2	-148.3	-18	0	0	0	110.6	Y466 S469 H470 S702 R703	Y466-D524 HydrophobicContact CD2-CB 3.98Å; Y466-D524 HydrophobicContact CE2-CB 4.28Å; Y466-D524 WeakPolarHBondContact CE2-OD2 3.32Å; S469-D524 WeakPolarHBondContact CB-O 3.47Å; S469-D524 WeakPolarHBondContact OG-CA 3.3Å; S469-D524 WeakPolarHBondContact OG-CB 3.24Å; S469-D524 PolarHBondContact OG-N 2.97Å; S469-D524 PolarHBondContact OG-O 3.4Å; H470-D524 IonicContact CE1-OD2 2.71Å; D524-S702 WeakPolarHBondContact OD2-CB 3.36Å; D524-S702 PolarHBondContact OD2-OG 2.69Å; D524-R703 IonicContact OD1-CZ 3.22Å; D524-R703 IonicContact OD1-NE 3.85Å; D524-R703 PolarHBondContact OD1-NE 3Å; D524-R703 VanDerWaalsContact OD1-NE 3.09Å; D524-R703 IonicContact OD1-NH2 2.72Å; D524-R703 PolarHBondContact OD1-NH2 3.37Å; D524-R703 IonicContact OD2-NE 3.38Å
525	G	67.5	Low	83.3	Confident	14 Å²	14	14.5 Å²	14.5	14%	0.144	8%	0.083	C	C	.	.	S	Bend	trans	144.1	133.1	-176.9	0	0	0	0	0	110.7	I523 C650	I523-G525 PolarHBondContact O-N 3.4Å; G525-C650 PolarHBondContact O-SG 2.98Å
526	G	71.6	Confident	83.1	Confident	20 Å²	20	15.3 Å²	15.3	21%	0.206	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.6	-178.7	0	0	0	0	0	111.6	T489 L490	T489-G526 WeakPolarHBondContact CA-O 3.34Å; L490-G526 PolarHBondContact N-O 2.91Å
527	F	80.8	Confident	82.8	Confident	3 Å²	3	17.9 Å²	17.9	1%	0.013	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	162.2	166.8	-57.6	-75.5	0	0	0	111.1	L473 F480 L490 M513 F531 Y532	L473-F527 HydrophobicContact CD2-CE1 3.82Å; L473-F527 HydrophobicContact CD2-CZ 3.61Å; F480-F527 AromaticContact CD1-CE1 3.96Å; F480-F527 HydrophobicContact CD1-CE1 3.96Å; F480-F527 HydrophobicContact CE1-CD1 4.42Å; F480-F527 AromaticContact CE1-CE1 3.58Å; F480-F527 HydrophobicContact CE1-CE1 3.58Å; F480-F527 HydrophobicContact CE1-CZ 4.37Å; F480-F527 HydrophobicContact CZ-CE1 4.06Å; F480-F527 HydrophobicContact CZ-CZ 4.45Å; L490-F527 HydrophobicContact CB-CD1 4.11Å; L490-F527 HydrophobicContact CB-CE1 4.46Å; L490-F527 WeakPolarHBondContact O-CA 3.36Å; M513-F527 HydrophobicContact CE-CD2 4.23Å; M513-F527 HydrophobicContact CE-CE2 3.8Å; M513-F527 HydrophobicContact SD-CE2 3.87Å; M513-F527 HydrophobicContact SD-CZ 4.23Å; F527-F531 HydrophobicContact CB-CB 4.04Å; F527-F531 HydrophobicContact CB-CD1 3.35Å; F527-F531 HydrophobicContact CB-CE1 3.89Å; F527-F531 HydrophobicContact CB-CG 3.82Å; F527-F531 HydrophobicContact CD1-CD1 4.16Å; F527-F531 AromaticContact CD1-CE1 3.98Å; F527-F531 HydrophobicContact CD1-CE1 3.98Å; F527-F531 HydrophobicContact CD1-CE2 4.43Å; F527-F531 HydrophobicContact CD1-CG 4.45Å; F527-F531 HydrophobicContact CD1-CZ 4.12Å; F527-F531 AromaticContact CD2-CD1 3.8Å; F527-F531 HydrophobicContact CD2-CD1 3.8Å; F527-F531 AromaticContact CD2-CE1 3.39Å; F527-F531 HydrophobicContact CD2-CE1 3.39Å; F527-F531 HydrophobicContact CD2-CZ 4.14Å; F527-F531 HydrophobicContact CE1-CE1 4.36Å; F527-F531 HydrophobicContact CE1-CZ 4.2Å; F527-F531 AromaticContact CE2-CE1 3.83Å; F527-F531 HydrophobicContact CE2-CE1 3.83Å; F527-F531 HydrophobicContact CE2-CZ 4.21Å; F527-F531 AromaticContact CG-CD1 3.5Å; F527-F531 HydrophobicContact CG-CD1 3.5Å; F527-F531 VanDerWaalsContact CG-CD1 3.5Å; F527-F531 AromaticContact CG-CE1 3.46Å; F527-F531 HydrophobicContact CG-CE1 3.46Å; F527-F531 VanDerWaalsContact CG-CE1 3.46Å; F527-F531 HydrophobicContact CG-CG 4.13Å; F527-F531 HydrophobicContact CG-CZ 4.08Å; F527-F531 HydrophobicContact CZ-CE1 4.27Å; F527-F531 HydrophobicContact CZ-CZ 4.23Å; F527-Y532 HydrophobicContact CB-CE1 4.49Å; F527-Y532 HydrophobicContact CB-CE2 3.96Å; F527-Y532 HydrophobicContact CD2-CE1 4.1Å; F527-Y532 AromaticContact CD2-CZ 3.95Å; F527-Y532 PolarHBondContact N-OH 3.47Å; F527-Y532 WeakPolarHBondContact O-CE2 3.42Å
528	T	76.3	Confident	82.5	Confident	13 Å²	13	20.6 Å²	20.6	8%	0.08	13%	0.125	C	C	.	.			trans	-64.4	147.5	172.5	61.1	0	0	0	0	111.3	L490 P530 F531 V548	L490-T528 PolarHBondContact O-N 3.12Å; T528-P530 VanDerWaalsContact C-N 3.28Å; T528-P530 VanDerWaalsContact O-N 3.16Å; T528-F531 VanDerWaalsContact O-CB 3.3Å; T528-F531 WeakPolarHBondContact O-CB 3.41Å; T528-F531 PolarHBondContact O-N 3.18Å; T528-V548 HydrophobicContact CG2-CG2 4.36Å
529	L	73.7	Confident	82	Confident	45 Å²	45	24.4 Å²	24.4	24%	0.236	15%	0.151	C	C	.	.	H	α-helix	trans	-50.1	-38.1	177.6	-68.4	177.1	0	0	0	115	F531 Y532 K533 K643 E646	L529-F531 VanDerWaalsContact C-N 3.26Å; L529-F531 PolarHBondContact O-N 3.47Å; L529-Y532 PolarHBondContact O-N 3.16Å; L529-K533 PolarHBondContact O-N 2.93Å; L529-K533 VanDerWaalsContact O-N 3.1Å; L529-K643 HydrophobicContact CD1-CG 4.45Å; L529-K643 HydrophobicContact CD2-CG 3.85Å; L529-E646 VanDerWaalsContact CD2-OE2 3.28Å; L529-E646 WeakPolarHBondContact CD2-OE2 3.44Å
530	P	79.6	Confident	81.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64	-29.4	178.8	-23.2	37.4	0	0	0	113.1	T528 K533 Q534 I540 D544 V548 F613	T528-P530 VanDerWaalsContact C-N 3.28Å; T528-P530 VanDerWaalsContact O-N 3.16Å; P530-K533 WeakPolarHBondContact O-CB 3.3Å; P530-K533 PolarHBondContact O-N 3.43Å; P530-Q534 WeakPolarHBondContact O-CG 3.38Å; P530-Q534 PolarHBondContact O-N 2.94Å; P530-I540 HydrophobicContact CB-CD1 4.38Å; P530-D544 HydrophobicContact CB-CB 4.4Å; P530-D544 HydrophobicContact CG-CB 3.9Å; P530-V548 HydrophobicContact CG-CG2 4.13Å; P530-F613 HydrophobicContact CB-CD1 3.99Å; P530-F613 HydrophobicContact CB-CE1 3.52Å; P530-F613 HydrophobicContact CB-CZ 3.98Å; P530-F613 HydrophobicContact CG-CE1 3.61Å; P530-F613 HydrophobicContact CG-CZ 3.74Å
531	F	86.3	Confident	81.2	Confident	8 Å²	8	25.1 Å²	25.1	4%	0.035	15%	0.154	C	C	.	.	H	α-helix	trans	-64.3	-45.3	175.3	172.5	-90.2	0	0	0	111.7	I492 M513 F527 T528 L529 K533 Q534 L535 F621 L624	I492-F531 HydrophobicContact CD1-CE2 4.21Å; I492-F531 HydrophobicContact CG1-CE2 4.4Å; M513-F531 HydrophobicContact CE-CE1 3.79Å; M513-F531 HydrophobicContact CE-CZ 4.27Å; M513-F531 HydrophobicContact SD-CE1 4.31Å; M513-F531 HydrophobicContact SD-CZ 4.21Å; F527-F531 HydrophobicContact CB-CB 4.04Å; F527-F531 HydrophobicContact CB-CD1 3.35Å; F527-F531 HydrophobicContact CB-CE1 3.89Å; F527-F531 HydrophobicContact CB-CG 3.82Å; F527-F531 HydrophobicContact CD1-CD1 4.16Å; F527-F531 AromaticContact CD1-CE1 3.98Å; F527-F531 HydrophobicContact CD1-CE1 3.98Å; F527-F531 HydrophobicContact CD1-CE2 4.43Å; F527-F531 HydrophobicContact CD1-CG 4.45Å; F527-F531 HydrophobicContact CD1-CZ 4.12Å; F527-F531 AromaticContact CD2-CD1 3.8Å; F527-F531 HydrophobicContact CD2-CD1 3.8Å; F527-F531 AromaticContact CD2-CE1 3.39Å; F527-F531 HydrophobicContact CD2-CE1 3.39Å; F527-F531 HydrophobicContact CD2-CZ 4.14Å; F527-F531 HydrophobicContact CE1-CE1 4.36Å; F527-F531 HydrophobicContact CE1-CZ 4.2Å; F527-F531 AromaticContact CE2-CE1 3.83Å; F527-F531 HydrophobicContact CE2-CE1 3.83Å; F527-F531 HydrophobicContact CE2-CZ 4.21Å; F527-F531 AromaticContact CG-CD1 3.5Å; F527-F531 HydrophobicContact CG-CD1 3.5Å; F527-F531 VanDerWaalsContact CG-CD1 3.5Å; F527-F531 AromaticContact CG-CE1 3.46Å; F527-F531 HydrophobicContact CG-CE1 3.46Å; F527-F531 VanDerWaalsContact CG-CE1 3.46Å; F527-F531 HydrophobicContact CG-CG 4.13Å; F527-F531 HydrophobicContact CG-CZ 4.08Å; F527-F531 HydrophobicContact CZ-CE1 4.27Å; F527-F531 HydrophobicContact CZ-CZ 4.23Å; T528-F531 VanDerWaalsContact O-CB 3.3Å; T528-F531 WeakPolarHBondContact O-CB 3.41Å; T528-F531 PolarHBondContact O-N 3.18Å; L529-F531 VanDerWaalsContact C-N 3.26Å; L529-F531 PolarHBondContact O-N 3.47Å; F531-K533 VanDerWaalsContact C-N 3.3Å; F531-K533 PolarHBondContact O-N 3.23Å; F531-Q534 PolarHBondContact O-N 3.08Å; F531-L535 WeakPolarHBondContact O-CB 3.48Å; F531-L535 PolarHBondContact O-N 3.24Å; F531-F621 HydrophobicContact CD2-CD2 4.07Å; F531-F621 AromaticContact CD2-CE2 3.76Å; F531-F621 HydrophobicContact CD2-CE2 3.76Å; F531-F621 HydrophobicContact CE2-CD2 4.07Å; F531-F621 AromaticContact CE2-CE2 3.84Å; F531-F621 HydrophobicContact CE2-CE2 3.84Å; F531-F621 HydrophobicContact CG-CE2 4.46Å; F531-L624 HydrophobicContact CE2-CD1 4.05Å; F531-L624 HydrophobicContact CE2-CD2 4.28Å; F531-L624 HydrophobicContact CZ-CD1 3.82Å; F531-L624 HydrophobicContact CZ-CD2 3.79Å; F531-L624 HydrophobicContact CZ-CG 4.49Å
532	Y	86.5	Confident	80.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-35.4	174.3	-60.2	-68.1	0	0	0	111.9	F527 L529 L535 L536 L645 E646 V649 C650	F527-Y532 HydrophobicContact CB-CE1 4.49Å; F527-Y532 HydrophobicContact CB-CE2 3.96Å; F527-Y532 HydrophobicContact CD2-CE1 4.1Å; F527-Y532 AromaticContact CD2-CZ 3.95Å; F527-Y532 PolarHBondContact N-OH 3.47Å; F527-Y532 WeakPolarHBondContact O-CE2 3.42Å; L529-Y532 PolarHBondContact O-N 3.16Å; Y532-L535 PolarHBondContact O-N 3.21Å; Y532-L536 WeakPolarHBondContact O-CG 3.46Å; Y532-L536 PolarHBondContact O-N 2.88Å; Y532-L645 HydrophobicContact CD1-CD2 4.27Å; Y532-L645 HydrophobicContact CD1-CG 4.16Å; Y532-E646 HydrophobicContact CD2-CB 3.83Å; Y532-E646 HydrophobicContact CD2-CG 4.32Å; Y532-E646 HydrophobicContact CE2-CB 3.62Å; Y532-E646 HydrophobicContact CE2-CG 3.66Å; Y532-E646 HydrophobicContact CG-CB 4.35Å; Y532-V649 HydrophobicContact CE1-CB 4.36Å; Y532-V649 HydrophobicContact CE1-CG2 4.4Å; Y532-C650 PolarHBondContact OH-SG 2.93Å
533	K	84	Confident	79.7	Confident	20 Å²	20	29.3 Å²	29.3	9%	0.087	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-44.4	175.6	-157.3	174.7	-169.1	179.1	0	111.8	L529 P530 F531 L535 L536 G537 K538 P539 T541 D544 E642	L529-K533 PolarHBondContact O-N 2.93Å; L529-K533 VanDerWaalsContact O-N 3.1Å; P530-K533 WeakPolarHBondContact O-CB 3.3Å; P530-K533 PolarHBondContact O-N 3.43Å; F531-K533 VanDerWaalsContact C-N 3.3Å; F531-K533 PolarHBondContact O-N 3.23Å; K533-L535 VanDerWaalsContact C-N 3.35Å; K533-L536 PolarHBondContact O-N 3.42Å; K533-G537 PolarHBondContact O-N 3.31Å; K533-K538 HydrophobicContact CG-CB 3.77Å; K533-K538 HydrophobicContact CG-CD 4.32Å; K533-K538 WeakPolarHBondContact O-CB 3.38Å; K533-K538 PolarHBondContact O-N 3.02Å; K533-P539 WeakPolarHBondContact CE-O 3.47Å; K533-T541 PolarHBondContact NZ-OG1 3.45Å; K533-D544 VanDerWaalsContact CD-OD2 3.26Å; K533-D544 WeakPolarHBondContact CD-OD2 3.37Å; K533-D544 WeakPolarHBondContact CE-OD2 3.34Å; K533-D544 IonicContact NZ-OD1 3.34Å; K533-D544 PolarHBondContact NZ-OD1 2.91Å; K533-D544 IonicContact NZ-OD2 2.68Å; K533-D544 PolarHBondContact NZ-OD2 3.33Å; K533-E642 HydrophobicContact CB-CB 4.07Å; K533-E642 HydrophobicContact CB-CG 4.45Å; K533-E642 HydrophobicContact CG-CB 4.48Å; K533-E642 HydrophobicContact CG-CG 4.46Å
534	Q	87.9	Confident	78.9	Confident	22 Å²	22	30.1 Å²	30.1	10%	0.103	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-40.8	170.9	-71	174.1	-29.8	0	0	111.8	P530 F531 L536 G537 I540 F613 F621 Q625	P530-Q534 WeakPolarHBondContact O-CG 3.38Å; P530-Q534 PolarHBondContact O-N 2.94Å; F531-Q534 PolarHBondContact O-N 3.08Å; Q534-L536 VanDerWaalsContact C-N 3.32Å; Q534-L536 PolarHBondContact O-N 3.25Å; Q534-G537 WeakPolarHBondContact O-CA 3.27Å; Q534-G537 PolarHBondContact O-N 3.26Å; Q534-I540 HydrophobicContact CG-CD1 3.69Å; Q534-I540 HydrophobicContact CG-CG1 4.12Å; Q534-F613 PolarHBondContact NE2-O 3.37Å; Q534-F621 HydrophobicContact CB-CE1 3.78Å; Q534-F621 HydrophobicContact CB-CE2 3.79Å; Q534-F621 HydrophobicContact CB-CZ 3.32Å; Q534-F621 HydrophobicContact CG-CZ 4.5Å; Q534-Q625 PolarHBondContact O-NE2 2.83Å
535	L	89.4	Confident	78.7	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.4	-37.2	-178	-166.6	59.6	0	0	0	111.7	M513 F531 Y532 K533 G537 F621 L624 Q625 F628 L645	M513-L535 HydrophobicContact CE-CD2 3.98Å; F531-L535 WeakPolarHBondContact O-CB 3.48Å; F531-L535 PolarHBondContact O-N 3.24Å; Y532-L535 PolarHBondContact O-N 3.21Å; K533-L535 VanDerWaalsContact C-N 3.35Å; L535-G537 PolarHBondContact O-N 2.89Å; L535-F621 HydrophobicContact CB-CZ 4.31Å; L535-F621 HydrophobicContact CD1-CZ 4.41Å; L535-L624 HydrophobicContact CD1-CD2 4.22Å; L535-Q625 HydrophobicContact CD1-CB 4.23Å; L535-Q625 HydrophobicContact CD1-CG 4.22Å; L535-F628 HydrophobicContact CD1-CB 4.23Å; L535-F628 HydrophobicContact CD1-CD1 3.68Å; L535-F628 HydrophobicContact CD1-CE1 4.23Å; L535-F628 HydrophobicContact CD1-CG 4.06Å; L535-F628 HydrophobicContact CD2-CD1 3.95Å; L535-F628 HydrophobicContact CD2-CD2 4.32Å; L535-F628 HydrophobicContact CD2-CE1 3.8Å; L535-F628 HydrophobicContact CD2-CE2 4.23Å; L535-F628 HydrophobicContact CD2-CG 4.19Å; L535-F628 HydrophobicContact CD2-CZ 3.96Å; L535-F628 HydrophobicContact CG-CD1 3.86Å; L535-F628 HydrophobicContact CG-CE1 3.87Å; L535-F628 HydrophobicContact CG-CG 4.45Å; L535-L645 HydrophobicContact CB-CD2 4.41Å; L535-L645 HydrophobicContact CD2-CD2 4.27Å
536	L	87	Confident	78.5	Confident	19 Å²	19	34 Å²	34	10%	0.099	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-8.9	169.9	-68.5	172.7	0	0	0	114.2	Y532 K533 Q534 K538 L637 E642 L645	Y532-L536 WeakPolarHBondContact O-CG 3.46Å; Y532-L536 PolarHBondContact O-N 2.88Å; K533-L536 PolarHBondContact O-N 3.42Å; Q534-L536 VanDerWaalsContact C-N 3.32Å; Q534-L536 PolarHBondContact O-N 3.25Å; L536-K538 VanDerWaalsContact C-N 3.32Å; L536-K538 HydrophobicContact CB-CD 4.24Å; L536-K538 HydrophobicContact CB-CG 4.1Å; L536-K538 HydrophobicContact CD1-CD 4.23Å; L536-L637 HydrophobicContact CD2-CB 3.86Å; L536-L637 WeakPolarHBondContact CD2-O 3.42Å; L536-E642 HydrophobicContact CD1-CB 4.39Å; L536-L645 HydrophobicContact CD1-CB 4.42Å; L536-L645 HydrophobicContact CD1-CD2 4.34Å; L536-L645 HydrophobicContact CD2-CD2 3.79Å; L536-L645 HydrophobicContact CG-CD2 3.72Å
537	G	85.3	Confident	77.8	Confident	53 Å²	53	36.5 Å²	36.5	55%	0.546	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	23.7	-174.4	0	0	0	0	0	113.7	K533 Q534 L535	K533-G537 PolarHBondContact O-N 3.31Å; Q534-G537 WeakPolarHBondContact O-CA 3.27Å; Q534-G537 PolarHBondContact O-N 3.26Å; L535-G537 PolarHBondContact O-N 2.89Å
538	K	84	Confident	76.9	Confident	67 Å²	67	36.8 Å²	36.8	29%	0.291	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-88.5	149	176.2	-67.6	177.3	-175	177.1	0	110.8	K533 L536 F640 D641 E642	K533-K538 HydrophobicContact CG-CB 3.77Å; K533-K538 HydrophobicContact CG-CD 4.32Å; K533-K538 WeakPolarHBondContact O-CB 3.38Å; K533-K538 PolarHBondContact O-N 3.02Å; L536-K538 VanDerWaalsContact C-N 3.32Å; L536-K538 HydrophobicContact CB-CD 4.24Å; L536-K538 HydrophobicContact CB-CG 4.1Å; L536-K538 HydrophobicContact CD1-CD 4.23Å; K538-F640 PolarHBondContact NZ-O 2.77Å; K538-D641 VanDerWaalsContact NZ-CA 3.33Å; K538-E642 IonicContact NZ-OE2 2.74Å; K538-E642 PolarHBondContact NZ-OE2 2.74Å
539	P	80	Confident	76.6	Confident	97 Å²	97	38.3 Å²	38.3	63%	0.63	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-67.8	143.5	173.6	29.9	-34.9	0	0	0	110.8	K533	K533-P539 WeakPolarHBondContact CE-O 3.47Å
540	I	81	Confident	76.2	Confident	15 Å²	15	39 Å²	39	8%	0.077	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-75.4	142.1	167.9	-63	179.3	0	0	0	108.8	P530 Q534 D544 V609 F613	P530-I540 HydrophobicContact CB-CD1 4.38Å; Q534-I540 HydrophobicContact CG-CD1 3.69Å; Q534-I540 HydrophobicContact CG-CG1 4.12Å; I540-D544 VanDerWaalsContact CA-OD2 3.31Å; I540-D544 WeakPolarHBondContact CA-OD2 3.45Å; I540-D544 HydrophobicContact CG2-CB 3.88Å; I540-D544 WeakPolarHBondContact CG2-OD2 3.31Å; I540-V609 HydrophobicContact CB-CG1 4.49Å; I540-V609 HydrophobicContact CG2-CG1 3.59Å; I540-F613 HydrophobicContact CD1-CB 3.41Å; I540-F613 VanDerWaalsContact CD1-CB 3.41Å; I540-F613 HydrophobicContact CD1-CD1 4.1Å; I540-F613 HydrophobicContact CD1-CD2 4.08Å; I540-F613 HydrophobicContact CD1-CG 3.63Å; I540-F613 HydrophobicContact CG2-CD2 3.64Å; I540-F613 HydrophobicContact CG2-CE2 3.86Å; I540-F613 HydrophobicContact CG2-CG 4.26Å
541	T	75.2	Confident	75.8	Confident	55 Å²	55	45.1 Å²	45.1	34%	0.337	26%	0.261	S	S	.	.			trans	-118.4	166	-179.7	50.8	0	0	0	0	110.6	K533 D543 D544	K533-T541 PolarHBondContact NZ-OG1 3.45Å; T541-D543 VanDerWaalsContact C-N 3.28Å; T541-D543 PolarHBondContact O-N 2.8Å; T541-D544 PolarHBondContact N-OD2 3.3Å; T541-D544 VanDerWaalsContact O-CB 3.31Å; T541-D544 WeakPolarHBondContact O-CB 3.32Å; T541-D544 PolarHBondContact O-N 2.89Å; T541-D544 VanDerWaalsContact O-N 3.17Å; T541-D544 PolarHBondContact OG1-OD2 2.81Å
542	L	73.3	Confident	75.5	Confident	25 Å²	25	45.9 Å²	45.9	13%	0.131	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-41.1	180	178.9	57.1	0	0	0	112	D544 M545 H553 L556 V557 L560 V605 V609	L542-D544 PolarHBondContact O-N 2.71Å; L542-M545 HydrophobicContact CD1-CB 4.45Å; L542-M545 WeakPolarHBondContact O-CA 3.11Å; L542-M545 WeakPolarHBondContact O-CB 3.33Å; L542-M545 PolarHBondContact O-N 3.37Å; L542-H553 PolarHBondContact O-CD2 3.46Å; L542-L556 HydrophobicContact CD1-CB 3.65Å; L542-L556 HydrophobicContact CD1-CD1 3.89Å; L542-L556 HydrophobicContact CD1-CG 4.45Å; L542-L556 HydrophobicContact CD2-CB 4.49Å; L542-V557 HydrophobicContact CD2-CG2 3.71Å; L542-V557 HydrophobicContact CG-CG2 4.3Å; L542-L560 HydrophobicContact CD2-CD1 3.6Å; L542-V605 HydrophobicContact CD1-CG1 4.28Å; L542-V605 HydrophobicContact CD2-CG1 4.18Å; L542-V609 HydrophobicContact CD1-CG2 3.93Å
543	D	65.3	Low	74.9	Confident	115 Å²	115	46.8 Å²	46.8	62%	0.615	27%	0.27	S	S	*	.	H	α-helix	trans	-55.1	-27	178.2	-38.7	-9.1	0	0	0	113.2	T541 M545 E546	T541-D543 VanDerWaalsContact C-N 3.28Å; T541-D543 PolarHBondContact O-N 2.8Å; D543-M545 PolarHBondContact O-N 2.86Å; D543-E546 WeakPolarHBondContact O-CB 3.48Å; D543-E546 PolarHBondContact O-N 2.84Å
544	D	68.3	Low	74.6	Confident	18 Å²	18	50.3 Å²	50.3	10%	0.096	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-27.4	176.8	-65.9	-34.4	0	0	0	112	P530 K533 I540 T541 L542 E546 S547	P530-D544 HydrophobicContact CB-CB 4.4Å; P530-D544 HydrophobicContact CG-CB 3.9Å; K533-D544 VanDerWaalsContact CD-OD2 3.26Å; K533-D544 WeakPolarHBondContact CD-OD2 3.37Å; K533-D544 WeakPolarHBondContact CE-OD2 3.34Å; K533-D544 IonicContact NZ-OD1 3.34Å; K533-D544 PolarHBondContact NZ-OD1 2.91Å; K533-D544 IonicContact NZ-OD2 2.68Å; K533-D544 PolarHBondContact NZ-OD2 3.33Å; I540-D544 VanDerWaalsContact CA-OD2 3.31Å; I540-D544 WeakPolarHBondContact CA-OD2 3.45Å; I540-D544 HydrophobicContact CG2-CB 3.88Å; I540-D544 WeakPolarHBondContact CG2-OD2 3.31Å; T541-D544 PolarHBondContact N-OD2 3.3Å; T541-D544 VanDerWaalsContact O-CB 3.31Å; T541-D544 WeakPolarHBondContact O-CB 3.32Å; T541-D544 PolarHBondContact O-N 2.89Å; T541-D544 VanDerWaalsContact O-N 3.17Å; T541-D544 PolarHBondContact OG1-OD2 2.81Å; L542-D544 PolarHBondContact O-N 2.71Å; D544-E546 VanDerWaalsContact C-N 3.34Å; D544-S547 PolarHBondContact O-OG 3.28Å
545	M	68.9	Low	74.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.9	-30.8	179.1	-162.7	68.9	71.2	0	0	112.1	L542 D543 S547 V548 D549 L552 H553 V609 R612 F613	L542-M545 HydrophobicContact CD1-CB 4.45Å; L542-M545 WeakPolarHBondContact O-CA 3.11Å; L542-M545 WeakPolarHBondContact O-CB 3.33Å; L542-M545 PolarHBondContact O-N 3.37Å; D543-M545 PolarHBondContact O-N 2.86Å; M545-S547 PolarHBondContact O-N 3.34Å; M545-S547 VanDerWaalsContact O-N 3.16Å; M545-V548 PolarHBondContact O-N 2.94Å; M545-D549 HydrophobicContact CG-CB 4.23Å; M545-D549 CarbonylContact O-C 3.52Å; M545-D549 PolarHBondContact O-N 3.5Å; M545-D549 HydrophobicContact SD-CB 3.99Å; M545-L552 HydrophobicContact CE-CD2 4.12Å; M545-L552 HydrophobicContact CG-CD2 4.39Å; M545-L552 HydrophobicContact CG-CG 4.38Å; M545-L552 HydrophobicContact SD-CD2 3.84Å; M545-L552 HydrophobicContact SD-CG 4.47Å; M545-H553 HydrophobicContact CB-CB 4.07Å; M545-H553 HydrophobicContact CG-CB 4.06Å; M545-V609 HydrophobicContact CE-CB 4.19Å; M545-V609 HydrophobicContact CE-CG1 4.11Å; M545-V609 HydrophobicContact CE-CG2 3.94Å; M545-R612 HydrophobicContact CE-CB 3.89Å; M545-R612 HydrophobicContact CE-CG 3.64Å; M545-R612 HydrophobicContact SD-CG 3.87Å; M545-F613 HydrophobicContact CB-CE2 4.46Å; M545-F613 HydrophobicContact CE-CD2 3.83Å; M545-F613 HydrophobicContact CE-CE2 3.52Å; M545-F613 HydrophobicContact SD-CD2 4.42Å; M545-F613 HydrophobicContact SD-CE2 3.68Å; M545-F613 HydrophobicContact SD-CZ 4.17Å
546	E	64.4	Low	74.3	Confident	120 Å²	120	52.7 Å²	52.7	56%	0.561	31%	0.308	S	S	*	.	H	α-helix	trans	-54.3	-37.4	179.5	-172.3	179.9	-145	0	0	111.4	D543 D544 V548	D543-E546 WeakPolarHBondContact O-CB 3.48Å; D543-E546 PolarHBondContact O-N 2.84Å; D544-E546 VanDerWaalsContact C-N 3.34Å; E546-V548 PolarHBondContact O-N 3.29Å
547	S	56.7	Low	74.2	Confident	71 Å²	71	53.8 Å²	53.8	50%	0.497	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.2	-179.4	69.2	0	0	0	0	115.9	D544 M545	D544-S547 PolarHBondContact O-OG 3.28Å; M545-S547 PolarHBondContact O-N 3.34Å; M545-S547 VanDerWaalsContact O-N 3.16Å
548	V	62.8	Low	74.3	Confident	10 Å²	10	56.4 Å²	56.4	6%	0.061	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-31.8	-171.3	178	0	0	0	0	112.7	T528 P530 M545 E546 F613	T528-V548 HydrophobicContact CG2-CG2 4.36Å; P530-V548 HydrophobicContact CG-CG2 4.13Å; M545-V548 PolarHBondContact O-N 2.94Å; E546-V548 PolarHBondContact O-N 3.29Å; V548-F613 HydrophobicContact CB-CE1 4.29Å; V548-F613 HydrophobicContact CB-CZ 4.07Å; V548-F613 HydrophobicContact CG1-CE1 4.18Å; V548-F613 HydrophobicContact CG1-CZ 4.33Å; V548-F613 HydrophobicContact CG2-CE1 3.96Å; V548-F613 HydrophobicContact CG2-CZ 3.97Å
549	D	68.5	Low	74.4	Confident	44 Å²	44	54 Å²	54	24%	0.235	30%	0.299	C	S	.	.			trans	-154.4	77.3	-177.2	-157.3	-37.5	0	0	0	109.4	M545 D551 L552 H553 R612	M545-D549 HydrophobicContact CG-CB 4.23Å; M545-D549 CarbonylContact O-C 3.52Å; M545-D549 PolarHBondContact O-N 3.5Å; M545-D549 HydrophobicContact SD-CB 3.99Å; D549-D551 VanDerWaalsContact C-N 3.3Å; D549-D551 PolarHBondContact O-N 3.46Å; D549-L552 HydrophobicContact CB-CB 3.95Å; D549-L552 HydrophobicContact CB-CD2 4.42Å; D549-L552 VanDerWaalsContact CG-CB 3.41Å; D549-L552 PolarHBondContact O-N 2.8Å; D549-L552 WeakPolarHBondContact OD1-CB 3.41Å; D549-L552 PolarHBondContact OD1-N 3.05Å; D549-H553 WeakPolarHBondContact O-CB 3.44Å; D549-H553 PolarHBondContact O-N 3.12Å; D549-R612 IonicContact OD2-CZ 3.86Å; D549-R612 IonicContact OD2-NE 3.69Å; D549-R612 PolarHBondContact OD2-NE 3.17Å; D549-R612 IonicContact OD2-NH2 2.74Å; D549-R612 PolarHBondContact OD2-NH2 3.04Å
550	P	65.5	Low	74.7	Confident	61 Å²	61	51.8 Å²	51.8	40%	0.396	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-36.8	-174.1	-23.2	31.9	0	0	0	113.5	H553 N554	P550-H553 WeakPolarHBondContact O-CB 3.28Å; P550-H553 PolarHBondContact O-N 3.36Å; P550-N554 WeakPolarHBondContact O-CB 3.31Å; P550-N554 PolarHBondContact O-N 3.3Å; P550-N554 PolarHBondContact O-ND2 2.89Å; P550-N554 VanDerWaalsContact O-ND2 3.08Å
551	D	72.6	Confident	75	Confident	127 Å²	127	57.1 Å²	57.1	68%	0.679	31%	0.31	S	S	*	.	H	α-helix	trans	-67.2	-42.6	178.6	-77.3	-26.1	0	0	0	111.8	D549 S555	D549-D551 VanDerWaalsContact C-N 3.3Å; D549-D551 PolarHBondContact O-N 3.46Å; D551-S555 WeakPolarHBondContact O-CB 3.45Å; D551-S555 PolarHBondContact O-N 3.14Å; D551-S555 VanDerWaalsContact O-N 3.08Å; D551-S555 PolarHBondContact O-OG 2.9Å
552	L	79.8	Confident	75.5	Confident	24 Å²	24	57.4 Å²	57.4	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-67.8	-40.8	173.9	178.1	60.7	0	0	0	111.7	M545 D549 S555 L556 Y608 R612	M545-L552 HydrophobicContact CE-CD2 4.12Å; M545-L552 HydrophobicContact CG-CD2 4.39Å; M545-L552 HydrophobicContact CG-CG 4.38Å; M545-L552 HydrophobicContact SD-CD2 3.84Å; M545-L552 HydrophobicContact SD-CG 4.47Å; D549-L552 HydrophobicContact CB-CB 3.95Å; D549-L552 HydrophobicContact CB-CD2 4.42Å; D549-L552 VanDerWaalsContact CG-CB 3.41Å; D549-L552 PolarHBondContact O-N 2.8Å; D549-L552 WeakPolarHBondContact OD1-CB 3.41Å; D549-L552 PolarHBondContact OD1-N 3.05Å; L552-S555 WeakPolarHBondContact O-CB 3.39Å; L552-S555 PolarHBondContact O-N 2.68Å; L552-L556 HydrophobicContact CD1-CD1 4.01Å; L552-L556 HydrophobicContact CD1-CG 4.05Å; L552-L556 HydrophobicContact CG-CD1 3.93Å; L552-L556 HydrophobicContact CG-CG 4.39Å; L552-L556 WeakPolarHBondContact O-CG 3.36Å; L552-L556 PolarHBondContact O-N 3.46Å; L552-Y608 HydrophobicContact CD1-CD1 4.42Å; L552-Y608 HydrophobicContact CD1-CE1 3.65Å; L552-Y608 HydrophobicContact CD2-CE1 3.85Å; L552-Y608 HydrophobicContact CG-CE1 4.3Å; L552-R612 HydrophobicContact CD2-CG 3.79Å
553	H	73.4	Confident	76	Confident	20 Å²	20	60.9 Å²	60.9	9%	0.093	33%	0.329	C	S	.	.	H	α-helix	trans	-54.7	-54.3	173.7	172.2	-103.5	0	0	0	110.9	L542 M545 D549 P550 S555 L556 V557	L542-H553 PolarHBondContact O-CD2 3.46Å; M545-H553 HydrophobicContact CB-CB 4.07Å; M545-H553 HydrophobicContact CG-CB 4.06Å; D549-H553 WeakPolarHBondContact O-CB 3.44Å; D549-H553 PolarHBondContact O-N 3.12Å; P550-H553 WeakPolarHBondContact O-CB 3.28Å; P550-H553 PolarHBondContact O-N 3.36Å; H553-S555 VanDerWaalsContact C-N 3.26Å; H553-S555 PolarHBondContact O-N 3.46Å; H553-L556 PolarHBondContact O-N 3.11Å; H553-L556 VanDerWaalsContact O-N 3.12Å; H553-V557 WeakPolarHBondContact O-CG2 3.35Å; H553-V557 PolarHBondContact O-N 2.86Å
554	N	77.8	Confident	76.9	Confident	94 Å²	94	55.8 Å²	55.8	50%	0.503	30%	0.301	S	S	.	.	H	α-helix	trans	-57.6	-38.5	178.4	-68.8	-26.8	0	0	0	112.3	P550 W558	P550-N554 WeakPolarHBondContact O-CB 3.31Å; P550-N554 PolarHBondContact O-N 3.3Å; P550-N554 PolarHBondContact O-ND2 2.89Å; P550-N554 VanDerWaalsContact O-ND2 3.08Å; N554-W558 WeakPolarHBondContact O-CB 3.34Å; N554-W558 PolarHBondContact O-N 3.32Å
555	S	85.4	Confident	77.4	Confident	69 Å²	69	59.6 Å²	59.6	48%	0.483	33%	0.325	S	S	.	.	H	α-helix	trans	-66.7	-41.1	177.3	-57.3	0	0	0	0	112.7	D551 L552 H553 I559	D551-S555 WeakPolarHBondContact O-CB 3.45Å; D551-S555 PolarHBondContact O-N 3.14Å; D551-S555 VanDerWaalsContact O-N 3.08Å; D551-S555 PolarHBondContact O-OG 2.9Å; L552-S555 WeakPolarHBondContact O-CB 3.39Å; L552-S555 PolarHBondContact O-N 2.68Å; H553-S555 VanDerWaalsContact C-N 3.26Å; H553-S555 PolarHBondContact O-N 3.46Å; S555-I559 WeakPolarHBondContact O-CG1 3.35Å; S555-I559 PolarHBondContact O-N 3Å
556	L	85.6	Confident	77.2	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.016	36%	0.364	C	S	.	.	H	α-helix	trans	-74.1	-35.9	178.4	-69	172.1	0	0	0	112.4	L542 L552 H553 I559 L560 V605 Y608 V609	L542-L556 HydrophobicContact CD1-CB 3.65Å; L542-L556 HydrophobicContact CD1-CD1 3.89Å; L542-L556 HydrophobicContact CD1-CG 4.45Å; L542-L556 HydrophobicContact CD2-CB 4.49Å; L552-L556 HydrophobicContact CD1-CD1 4.01Å; L552-L556 HydrophobicContact CD1-CG 4.05Å; L552-L556 HydrophobicContact CG-CD1 3.93Å; L552-L556 HydrophobicContact CG-CG 4.39Å; L552-L556 WeakPolarHBondContact O-CG 3.36Å; L552-L556 PolarHBondContact O-N 3.46Å; H553-L556 PolarHBondContact O-N 3.11Å; H553-L556 VanDerWaalsContact O-N 3.12Å; L556-I559 PolarHBondContact O-N 3.29Å; L556-L560 PolarHBondContact O-N 2.9Å; L556-V605 HydrophobicContact CB-CG1 4.12Å; L556-V605 HydrophobicContact CD2-CG1 4.33Å; L556-V605 HydrophobicContact CD2-CG2 4.1Å; L556-Y608 HydrophobicContact CD1-CD1 4.15Å; L556-Y608 HydrophobicContact CD2-CD1 4.26Å; L556-Y608 HydrophobicContact CD2-CD2 4.49Å; L556-Y608 HydrophobicContact CD2-CG 4.11Å; L556-V609 HydrophobicContact CD1-CG2 3.92Å
557	V	84.3	Confident	77.2	Confident	42 Å²	42	62.1 Å²	62.1	26%	0.255	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-46.3	170.3	171.1	0	0	0	0	110.2	L542 H553 I559 L560 D561	L542-V557 HydrophobicContact CD2-CG2 3.71Å; L542-V557 HydrophobicContact CG-CG2 4.3Å; H553-V557 WeakPolarHBondContact O-CG2 3.35Å; H553-V557 PolarHBondContact O-N 2.86Å; V557-I559 VanDerWaalsContact C-N 3.28Å; V557-I559 PolarHBondContact O-N 3.44Å; V557-L560 WeakPolarHBondContact O-CB 3.35Å; V557-L560 PolarHBondContact O-N 3.29Å; V557-D561 WeakPolarHBondContact CG1-OD2 3.47Å; V557-D561 PolarHBondContact O-N 2.83Å
558	W	87.1	Confident	77.8	Confident	108 Å²	108	61 Å²	61	41%	0.409	35%	0.353	S	S	.	.	H	α-helix	trans	-56.4	-42	177.3	-171.7	93	0	0	0	112.3	N554 L560 D561 N562 V567 L568	N554-W558 WeakPolarHBondContact O-CB 3.34Å; N554-W558 PolarHBondContact O-N 3.32Å; W558-L560 VanDerWaalsContact C-N 3.3Å; W558-L560 PolarHBondContact O-N 3.42Å; W558-D561 PolarHBondContact O-N 3.24Å; W558-N562 VanDerWaalsContact CD1-ND2 3.3Å; W558-N562 HydrophobicContact CD2-CB 4.15Å; W558-N562 HydrophobicContact CE3-CB 4.35Å; W558-N562 HydrophobicContact CH2-CB 3.97Å; W558-N562 HydrophobicContact CZ2-CB 3.77Å; W558-N562 HydrophobicContact CZ3-CB 4.25Å; W558-N562 PolarHBondContact NE1-ND2 2.9Å; W558-N562 WeakPolarHBondContact O-CB 3.32Å; W558-N562 PolarHBondContact O-N 2.91Å; W558-N562 PolarHBondContact O-ND2 3.43Å; W558-V567 HydrophobicContact CH2-CG1 4.02Å; W558-L568 HydrophobicContact CE3-CD1 4.41Å; W558-L568 HydrophobicContact CZ3-CD1 3.81Å; W558-L568 HydrophobicContact CZ3-CG 4.47Å
559	I	86.4	Confident	78.1	Confident	15 Å²	15	68.4 Å²	68.4	8%	0.077	39%	0.392	C	S	.	.	H	α-helix	trans	-61	-36.3	175.2	-72.9	168.2	0	0	0	112	S555 L556 V557 I564 L568 K601 Y604 V605	S555-I559 WeakPolarHBondContact O-CG1 3.35Å; S555-I559 PolarHBondContact O-N 3Å; L556-I559 PolarHBondContact O-N 3.29Å; V557-I559 VanDerWaalsContact C-N 3.28Å; V557-I559 PolarHBondContact O-N 3.44Å; I559-I564 HydrophobicContact CG2-CG2 4.31Å; I559-L568 HydrophobicContact CD1-CD1 4.32Å; I559-L568 HydrophobicContact CG1-CD1 3.82Å; I559-K601 HydrophobicContact CG2-CB 4.21Å; I559-K601 VanDerWaalsContact O-CD 3.25Å; I559-K601 WeakPolarHBondContact O-CD 3.36Å; I559-K601 WeakPolarHBondContact O-CE 3.45Å; I559-K601 PolarHBondContact O-NZ 3.35Å; I559-Y604 HydrophobicContact CD1-CE1 4.47Å; I559-V605 HydrophobicContact CB-CG2 4.45Å; I559-V605 HydrophobicContact CG2-CG2 3.91Å
560	L	86.6	Confident	78.5	Confident	52 Å²	52	69.6 Å²	69.6	27%	0.272	40%	0.396	S	S	.	.	H	α-helix	trans	-72.9	-41.4	178.2	-67.1	180	0	0	0	112.4	L542 L556 V557 W558 K601 K602 V605	L542-L560 HydrophobicContact CD2-CD1 3.6Å; L556-L560 PolarHBondContact O-N 2.9Å; V557-L560 WeakPolarHBondContact O-CB 3.35Å; V557-L560 PolarHBondContact O-N 3.29Å; W558-L560 VanDerWaalsContact C-N 3.3Å; W558-L560 PolarHBondContact O-N 3.42Å; L560-K601 HydrophobicContact CD2-CG 4.49Å; L560-K601 VanDerWaalsContact O-CE 3.22Å; L560-K601 WeakPolarHBondContact O-CE 3.46Å; L560-K601 PolarHBondContact O-NZ 3.32Å; L560-K602 HydrophobicContact CD2-CG 4Å; L560-V605 HydrophobicContact CD1-CG1 4.26Å; L560-V605 HydrophobicContact CD2-CB 4.15Å; L560-V605 HydrophobicContact CD2-CG2 3.87Å; L560-V605 HydrophobicContact CG-CG1 4.44Å; L560-V605 HydrophobicContact CG-CG2 4.11Å
561	D	86.1	Confident	79.4	Confident	126 Å²	126	69.1 Å²	69.1	67%	0.674	39%	0.392	S	S	*	.	H	α-helix	trans	-86.8	-19.9	-169.8	-68.5	-15.2	0	0	0	114.2	V557 W558	V557-D561 WeakPolarHBondContact CG1-OD2 3.47Å; V557-D561 PolarHBondContact O-N 2.83Å; W558-D561 PolarHBondContact O-N 3.24Å
562	N	87.1	Confident	80.1	Confident	61 Å²	61	63 Å²	63	33%	0.326	36%	0.359	S	S	.	.	S	Bend	trans	-111.9	153.6	-177.1	-61.8	-99.3	0	0	0	111.5	W558 I564 K601	W558-N562 VanDerWaalsContact CD1-ND2 3.3Å; W558-N562 HydrophobicContact CD2-CB 4.15Å; W558-N562 HydrophobicContact CE3-CB 4.35Å; W558-N562 HydrophobicContact CH2-CB 3.97Å; W558-N562 HydrophobicContact CZ2-CB 3.77Å; W558-N562 HydrophobicContact CZ3-CB 4.25Å; W558-N562 PolarHBondContact NE1-ND2 2.9Å; W558-N562 WeakPolarHBondContact O-CB 3.32Å; W558-N562 PolarHBondContact O-N 2.91Å; W558-N562 PolarHBondContact O-ND2 3.43Å; N562-I564 PolarHBondContact O-N 3.48Å; N562-K601 PolarHBondContact O-NZ 3.26Å
563	D	83.3	Confident	80.4	Confident	99 Å²	99	63 Å²	63	53%	0.529	36%	0.361	S	S	.	.			trans	-70.5	121.6	170.8	-178.4	7.6	0	0	0	110	T565 E598	D563-T565 WeakPolarHBondContact OD1-CB 3.15Å; D563-T565 PolarHBondContact OD1-N 2.61Å; D563-T565 PolarHBondContact OD1-OG1 3.13Å; D563-E598 WeakPolarHBondContact CA-OE1 3.16Å
564	I	83.9	Confident	80.9	Confident	7 Å²	7	62.4 Å²	62.4	4%	0.036	36%	0.359	C	S	.	.			trans	-89	-6.9	-178.7	75	-171.7	0	0	0	112.9	I559 N562 G566 V567 L568 V596 E598 K601	I559-I564 HydrophobicContact CG2-CG2 4.31Å; N562-I564 PolarHBondContact O-N 3.48Å; I564-G566 PolarHBondContact O-N 2.98Å; I564-G566 VanDerWaalsContact O-N 3.08Å; I564-V567 PolarHBondContact O-N 3.48Å; I564-L568 HydrophobicContact CB-CB 4.5Å; I564-L568 HydrophobicContact CB-CD1 4.38Å; I564-L568 HydrophobicContact CG2-CD1 4.16Å; I564-L568 PolarHBondContact O-N 2.81Å; I564-V596 HydrophobicContact CD1-CB 4.5Å; I564-V596 HydrophobicContact CD1-CG1 3.84Å; I564-E598 WeakPolarHBondContact CG1-OE1 3.09Å; I564-E598 PolarHBondContact N-OE1 2.74Å; I564-K601 HydrophobicContact CD1-CB 3.89Å; I564-K601 HydrophobicContact CD1-CD 4.19Å; I564-K601 HydrophobicContact CG2-CD 4.33Å
565	T	78.1	Confident	81	Confident	99 Å²	99	64.8 Å²	64.8	61%	0.607	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	109.1	-171.3	-54.3	0	0	0	0	111.8	D563 V567	D563-T565 WeakPolarHBondContact OD1-CB 3.15Å; D563-T565 PolarHBondContact OD1-N 2.61Å; D563-T565 PolarHBondContact OD1-OG1 3.13Å; T565-V567 PolarHBondContact O-N 3.4Å
566	G	64.8	Low	80.3	Confident	79 Å²	79	64.9 Å²	64.9	81%	0.814	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	7.3	-178.2	0	0	0	0	0	115	I564	I564-G566 PolarHBondContact O-N 2.98Å; I564-G566 VanDerWaalsContact O-N 3.08Å
567	V	65.9	Low	79.3	Confident	94 Å²	94	69.6 Å²	69.6	57%	0.57	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-32.7	176.9	-172.5	0	0	0	0	111.6	W558 I564 T565	W558-V567 HydrophobicContact CH2-CG1 4.02Å; I564-V567 PolarHBondContact O-N 3.48Å; T565-V567 PolarHBondContact O-N 3.4Å
568	L	69.2	Low	77.9	Confident	47 Å²	47	68.8 Å²	68.8	25%	0.246	38%	0.383	C	S	.	.			trans	-131.5	111.1	-178.4	-68.6	172.2	0	0	0	112.1	W558 I559 I564 H570	W558-L568 HydrophobicContact CE3-CD1 4.41Å; W558-L568 HydrophobicContact CZ3-CD1 3.81Å; W558-L568 HydrophobicContact CZ3-CG 4.47Å; I559-L568 HydrophobicContact CD1-CD1 4.32Å; I559-L568 HydrophobicContact CG1-CD1 3.82Å; I564-L568 HydrophobicContact CB-CB 4.5Å; I564-L568 HydrophobicContact CB-CD1 4.38Å; I564-L568 HydrophobicContact CG2-CD1 4.16Å; I564-L568 PolarHBondContact O-N 2.81Å; L568-H570 PolarHBondContact O-N 2.72Å
569	D	67.6	Low	76.5	Confident	166 Å²	166	72.1 Å²	72.1	89%	0.888	40%	0.396	S	S	*	.			trans	-80.1	59.3	170.7	-68.6	-36.4	0	0	0	111.2
570	H	77.2	Confident	75	Confident	69 Å²	69	74 Å²	74	32%	0.319	42%	0.419	S	S	.	.			trans	-88.8	142.6	176.8	-74.6	-33.5	0	0	0	112.4	L568 P595 V596	L568-H570 PolarHBondContact O-N 2.72Å; H570-P595 WeakPolarHBondContact O-CA 3.42Å; H570-V596 HydrophobicContact CB-CB 4.14Å; H570-V596 HydrophobicContact CB-CG2 3.84Å; H570-V596 PolarHBondContact O-N 3.18Å
571	T	85.1	Confident	73.7	Confident	50 Å²	50	78.3 Å²	78.3	31%	0.307	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-113.2	172.2	165.8	59.7	0	0	0	0	109.2	C573 I594 Y604	T571-C573 PolarHBondContact O-N 3.23Å; T571-I594 CarbonylContact C-O 3.55Å; T571-I594 VanDerWaalsContact CA-O 3.23Å; T571-I594 WeakPolarHBondContact CA-O 3.43Å; T571-I594 WeakPolarHBondContact CB-O 3.26Å; T571-Y604 VanDerWaalsContact O-CE2 3.3Å; T571-Y604 WeakPolarHBondContact O-CE2 3.48Å
572	F	86.4	Confident	73	Confident	0 Å²	0	77 Å²	77	0%	0	43%	0.43	C	S	.	.	S	Bend	trans	-74.8	46.6	173.3	-78.9	-101.7	0	0	0	112.4	L587 K588 G591 I594 V596 E603 Y604 L607	F572-L587 HydrophobicContact CB-CB 4.49Å; F572-L587 PolarHBondContact O-N 3.4Å; F572-K588 HydrophobicContact CB-CD 4.32Å; F572-K588 HydrophobicContact CB-CG 4.04Å; F572-K588 HydrophobicContact CD1-CD 3.56Å; F572-K588 HydrophobicContact CD1-CG 4.09Å; F572-K588 HydrophobicContact CE1-CD 3.95Å; F572-K588 VanDerWaalsContact CE1-NZ 3.25Å; F572-K588 HydrophobicContact CG-CD 3.94Å; F572-K588 VanDerWaalsContact CG-CE 3.49Å; F572-K588 HydrophobicContact CG-CG 4.22Å; F572-G591 CarbonylContact C-O 3.45Å; F572-G591 WeakPolarHBondContact CA-O 3.15Å; F572-G591 PolarHBondContact N-O 3.13Å; F572-G591 WeakPolarHBondContact O-CA 3.41Å; F572-I594 HydrophobicContact CD2-CB 4.13Å; F572-I594 HydrophobicContact CD2-CG2 3.69Å; F572-I594 HydrophobicContact CE2-CG2 4Å; F572-I594 PolarHBondContact N-O 3.3Å; F572-V596 HydrophobicContact CD2-CG2 3.99Å; F572-V596 HydrophobicContact CE2-CG2 3.97Å; F572-E603 HydrophobicContact CE1-CB 4.21Å; F572-E603 HydrophobicContact CE1-CG 4.09Å; F572-E603 HydrophobicContact CZ-CB 4.29Å; F572-Y604 HydrophobicContact CD1-CD2 4.16Å; F572-Y604 HydrophobicContact CE1-CD2 4.38Å; F572-Y604 HydrophobicContact CG-CD2 4.35Å; F572-L607 HydrophobicContact CD1-CD1 3.89Å; F572-L607 HydrophobicContact CE1-CD1 3.95Å
573	C	86.4	Confident	72.6	Confident	23 Å²	23	78.4 Å²	78.4	16%	0.155	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.4	177	-169.5	0	0	0	0	109.2	T571 H585 K592	T571-C573 PolarHBondContact O-N 3.23Å; C573-H585 CarbonylContact C-O 3.52Å; C573-H585 WeakPolarHBondContact CA-O 3.07Å; C573-H585 PolarHBondContact SG-O 3.44Å; C573-H585 VanDerWaalsContact SG-O 3.41Å; C573-K592 HydrophobicContact CB-CG 3.83Å
574	V	84.3	Confident	72.5	Confident	8 Å²	8	76.7 Å²	76.7	5%	0.048	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.9	177.3	-176.8	0	0	0	0	108.9	H585 L587 Y608 W611	V574-H585 PolarHBondContact N-O 3.18Å; V574-H585 PolarHBondContact O-N 3.3Å; V574-L587 HydrophobicContact CG2-CD1 3.71Å; V574-L587 HydrophobicContact CG2-CD2 3.81Å; V574-L587 HydrophobicContact CG2-CG 3.78Å; V574-Y608 HydrophobicContact CB-CE2 4.22Å; V574-Y608 HydrophobicContact CG1-CD2 4.43Å; V574-Y608 HydrophobicContact CG1-CE2 3.63Å; V574-Y608 HydrophobicContact CG2-CD2 3.46Å; V574-Y608 VanDerWaalsContact CG2-CD2 3.46Å; V574-Y608 HydrophobicContact CG2-CE2 3.44Å; V574-Y608 VanDerWaalsContact CG2-CE2 3.44Å; V574-Y608 HydrophobicContact CG2-CG 4.37Å; V574-W611 HydrophobicContact CB-CE3 4.41Å; V574-W611 HydrophobicContact CB-CH2 4.45Å; V574-W611 HydrophobicContact CB-CZ3 4.31Å; V574-W611 HydrophobicContact CG1-CE3 4.01Å; V574-W611 HydrophobicContact CG1-CH2 3.69Å; V574-W611 HydrophobicContact CG1-CZ2 4.35Å; V574-W611 HydrophobicContact CG1-CZ3 3.5Å; V574-W611 VanDerWaalsContact CG1-CZ3 3.5Å
575	E	79.8	Confident	72.5	Confident	143 Å²	143	79.7 Å²	79.7	67%	0.668	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	124.6	175.9	-73.8	-176.5	179	0	0	109.8	I582	E575-I582 HydrophobicContact CB-CG2 3.67Å; E575-I582 HydrophobicContact CG-CG2 3.89Å
576	H	70.9	Confident	73	Confident	71 Å²	71	78.1 Å²	78.1	33%	0.329	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.4	175.1	-178.1	60.3	0	0	0	110.9	I582 I583 W611 H615	H576-I582 CarbonylContact O-C 3.26Å; H576-I582 WeakPolarHBondContact O-CA 3.29Å; H576-I583 PolarHBondContact N-O 2.94Å; H576-I583 PolarHBondContact O-N 3.21Å; H576-W611 HydrophobicContact CB-CH2 3.84Å; H576-W611 HydrophobicContact CB-CZ2 3.72Å; H576-H615 AromaticContact CD2-CD2 3.74Å; H576-H615 AromaticContact CD2-NE2 3.39Å; H576-H615 PolarHBondContact CD2-NE2 3.34Å; H576-H615 AromaticContact CG-NE2 3.94Å
577	N	64.1	Low	74	Confident	102 Å²	102	75.2 Å²	75.2	55%	0.545	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	100.3	178.8	-178.2	-4.8	0	0	0	109.9	G580 E581	N577-G580 WeakPolarHBondContact OD1-CA 3.36Å; N577-G580 PolarHBondContact OD1-N 2.82Å; N577-E581 WeakPolarHBondContact CA-O 3.49Å
578	A	56.6	Low	75	Confident	26 Å²	26	72.7 Å²	72.7	22%	0.215	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.2	172.2	0	0	0	0	0	109	G580 E581 I583	A578-G580 PolarHBondContact O-N 3.3Å; A578-E581 PolarHBondContact N-O 2.83Å; A578-E581 PolarHBondContact O-N 2.89Å; A578-I583 HydrophobicContact CB-CD1 3.91Å
579	Y	56.6	Low	75.8	Confident	177 Å²	177	75.8 Å²	75.8	69%	0.694	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	12.8	178.9	-58.4	-73.2	0	0	0	117.4	D495	D495-Y579 PolarHBondContact OD1-OH 2.9Å
580	G	55.1	Low	76.7	Confident	54 Å²	54	73.7 Å²	73.7	56%	0.557	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.3	-7.6	-175.8	0	0	0	0	0	114.2	N577 A578	N577-G580 WeakPolarHBondContact OD1-CA 3.36Å; N577-G580 PolarHBondContact OD1-N 2.82Å; A578-G580 PolarHBondContact O-N 3.3Å
581	E	59.6	Low	77.1	Confident	144 Å²	144	70.4 Å²	70.4	67%	0.673	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	134	172.2	-62.3	-166.2	157.7	0	0	110.4	N577 A578 I583	N577-E581 WeakPolarHBondContact CA-O 3.49Å; A578-E581 PolarHBondContact N-O 2.83Å; A578-E581 PolarHBondContact O-N 2.89Å; E581-I583 PolarHBondContact O-N 3Å
582	I	71.3	Confident	77	Confident	99 Å²	99	72.6 Å²	72.6	51%	0.508	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	107.6	177.2	-58	178.3	0	0	0	108.3	E575 H576	E575-I582 HydrophobicContact CB-CG2 3.67Å; E575-I582 HydrophobicContact CG-CG2 3.89Å; H576-I582 CarbonylContact O-C 3.26Å; H576-I582 WeakPolarHBondContact O-CA 3.29Å
583	I	78.4	Confident	76.9	Confident	89 Å²	89	77.6 Å²	77.6	46%	0.456	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.9	-179.2	-55.4	-178.5	0	0	0	109.1	H576 A578 E581 H585	H576-I583 PolarHBondContact N-O 2.94Å; H576-I583 PolarHBondContact O-N 3.21Å; A578-I583 HydrophobicContact CB-CD1 3.91Å; E581-I583 PolarHBondContact O-N 3Å; I583-H585 PolarHBondContact O-N 2.83Å
584	P	81.5	Confident	77	Confident	63 Å²	63	79.2 Å²	79.2	41%	0.409	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	111.5	177.6	31.5	-33.1	0	0	0	111.5
585	H	83.4	Confident	77.1	Confident	71 Å²	71	82.6 Å²	82.6	33%	0.329	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.3	179.3	-175.6	-73.8	0	0	0	111.9	C573 V574 I583 W611 H615	C573-H585 CarbonylContact C-O 3.52Å; C573-H585 WeakPolarHBondContact CA-O 3.07Å; C573-H585 PolarHBondContact SG-O 3.44Å; C573-H585 VanDerWaalsContact SG-O 3.41Å; V574-H585 PolarHBondContact N-O 3.18Å; V574-H585 PolarHBondContact O-N 3.3Å; I583-H585 PolarHBondContact O-N 2.83Å; H585-W611 AromaticContact CD2-NE1 3.56Å; H585-W611 AromaticContact CE1-CD1 3.37Å; H585-W611 AromaticContact CE1-NE1 3.63Å; H585-W611 AromaticContact CG-CD1 3.83Å; H585-W611 AromaticContact CG-NE1 3.29Å; H585-W611 VanDerWaalsContact CG-NE1 3.29Å; H585-W611 AromaticContact ND1-CD1 3.36Å; H585-W611 AromaticContact ND1-NE1 3.32Å; H585-W611 PolarHBondContact ND1-NE1 2.96Å; H585-W611 AromaticContact NE2-CD1 3.79Å; H585-W611 AromaticContact NE2-NE1 3.76Å; H585-H615 AromaticContact CD2-ND1 3.98Å
586	E	88.6	Confident	77.4	Confident	65 Å²	65	76.5 Å²	76.5	30%	0.304	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.8	178	-56.9	-168	-165	0	0	111.1	K588 N590 G591 K592	E586-K588 VanDerWaalsContact C-N 3.28Å; E586-K588 PolarHBondContact O-N 2.9Å; E586-N590 WeakPolarHBondContact OE2-CA 3.31Å; E586-N590 PolarHBondContact OE2-N 3.48Å; E586-G591 PolarHBondContact OE2-N 3.32Å; E586-K592 HydrophobicContact CG-CD 4.29Å; E586-K592 HydrophobicContact CG-CG 3.99Å; E586-K592 VanDerWaalsContact OE1-CD 3.24Å; E586-K592 WeakPolarHBondContact OE1-CD 3.06Å; E586-K592 VanDerWaalsContact OE1-CE 3.32Å; E586-K592 WeakPolarHBondContact OE1-CE 3.1Å; E586-K592 IonicContact OE1-NZ 3.26Å; E586-K592 PolarHBondContact OE1-NZ 2.92Å
587	L	87.3	Confident	78.2	Confident	19 Å²	19	75.9 Å²	75.9	10%	0.099	42%	0.417	C	S	.	.	S	Bend	trans	-73.4	-21.7	-179.6	-69.3	-178.3	0	0	0	113.3	F572 V574 Y604 L607 W611	F572-L587 HydrophobicContact CB-CB 4.49Å; F572-L587 PolarHBondContact O-N 3.4Å; V574-L587 HydrophobicContact CG2-CD1 3.71Å; V574-L587 HydrophobicContact CG2-CD2 3.81Å; V574-L587 HydrophobicContact CG2-CG 3.78Å; L587-Y604 HydrophobicContact CD1-CD2 3.81Å; L587-Y604 HydrophobicContact CD1-CE2 3.71Å; L587-L607 HydrophobicContact CB-CB 4.01Å; L587-L607 HydrophobicContact CB-CD1 4.28Å; L587-L607 HydrophobicContact CD1-CB 4.15Å; L587-L607 HydrophobicContact CG-CB 4.46Å; L587-W611 HydrophobicContact CD2-CB 3.61Å; L587-W611 HydrophobicContact CD2-CD2 4.42Å; L587-W611 HydrophobicContact CD2-CG 3.83Å
588	K	86.5	Confident	79.3	Confident	40 Å²	40	74.2 Å²	74.2	17%	0.174	41%	0.406	C	S	.	.	S	Bend	trans	-151.8	163.5	174.6	70.1	-168.9	-171.6	-169.3	0	109.6	F572 E586 N590 G591 I594 E603 L607	F572-K588 HydrophobicContact CB-CD 4.32Å; F572-K588 HydrophobicContact CB-CG 4.04Å; F572-K588 HydrophobicContact CD1-CD 3.56Å; F572-K588 HydrophobicContact CD1-CG 4.09Å; F572-K588 HydrophobicContact CE1-CD 3.95Å; F572-K588 VanDerWaalsContact CE1-NZ 3.25Å; F572-K588 HydrophobicContact CG-CD 3.94Å; F572-K588 VanDerWaalsContact CG-CE 3.49Å; F572-K588 HydrophobicContact CG-CG 4.22Å; E586-K588 VanDerWaalsContact C-N 3.28Å; E586-K588 PolarHBondContact O-N 2.9Å; K588-N590 PolarHBondContact O-N 3.15Å; K588-G591 WeakPolarHBondContact O-CA 3.33Å; K588-G591 PolarHBondContact O-N 3.11Å; K588-I594 HydrophobicContact CG-CD1 4.42Å; K588-E603 VanDerWaalsContact CD-OE1 3.29Å; K588-E603 WeakPolarHBondContact CD-OE1 3.27Å; K588-E603 IonicContact NZ-OE1 3.82Å; K588-E603 PolarHBondContact NZ-OE1 3.04Å; K588-E603 IonicContact NZ-OE2 2.69Å; K588-E603 PolarHBondContact NZ-OE2 3.15Å; K588-L607 HydrophobicContact CB-CD1 4.17Å; K588-L607 HydrophobicContact CD-CD1 4.09Å
589	P	85.9	Confident	80.7	Confident	113 Å²	113	80.4 Å²	80.4	73%	0.734	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	132.3	-180	-26.5	35.6	0	0	0	112.4	G591	P589-G591 PolarHBondContact O-N 3.29Å
590	N	86.1	Confident	82.3	Confident	121 Å²	121	73.7 Å²	73.7	65%	0.647	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	26.6	-173.8	-53	-35.7	0	0	0	114	E586 K588 K592 S593	E586-N590 WeakPolarHBondContact OE2-CA 3.31Å; E586-N590 PolarHBondContact OE2-N 3.48Å; K588-N590 PolarHBondContact O-N 3.15Å; N590-K592 PolarHBondContact O-N 3.18Å; N590-K592 VanDerWaalsContact O-N 3.16Å; N590-S593 PolarHBondContact O-N 3.27Å
591	G	84.5	Confident	83.9	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-58.7	-31.8	-171.2	0	0	0	0	0	114.1	F572 E586 K588 P589 S593 I594	F572-G591 CarbonylContact C-O 3.45Å; F572-G591 WeakPolarHBondContact CA-O 3.15Å; F572-G591 PolarHBondContact N-O 3.13Å; F572-G591 WeakPolarHBondContact O-CA 3.41Å; E586-G591 PolarHBondContact OE2-N 3.32Å; K588-G591 WeakPolarHBondContact O-CA 3.33Å; K588-G591 PolarHBondContact O-N 3.11Å; P589-G591 PolarHBondContact O-N 3.29Å; G591-S593 PolarHBondContact O-N 3.4Å; G591-I594 PolarHBondContact O-N 2.93Å
592	K	83.8	Confident	85.3	Confident	97 Å²	97	72.3 Å²	72.3	42%	0.422	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-62.1	-25.1	174.7	-72.4	175.1	-169.9	125.4	0	114.2	C573 E586 N590	C573-K592 HydrophobicContact CB-CG 3.83Å; E586-K592 HydrophobicContact CG-CD 4.29Å; E586-K592 HydrophobicContact CG-CG 3.99Å; E586-K592 VanDerWaalsContact OE1-CD 3.24Å; E586-K592 WeakPolarHBondContact OE1-CD 3.06Å; E586-K592 VanDerWaalsContact OE1-CE 3.32Å; E586-K592 WeakPolarHBondContact OE1-CE 3.1Å; E586-K592 IonicContact OE1-NZ 3.26Å; E586-K592 PolarHBondContact OE1-NZ 2.92Å; N590-K592 PolarHBondContact O-N 3.18Å; N590-K592 VanDerWaalsContact O-N 3.16Å
593	S	84.8	Confident	86.2	Confident	105 Å²	105	70.8 Å²	70.8	73%	0.734	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-97.9	-3.5	-179.2	-57.3	0	0	0	0	113.2	N590 G591	N590-S593 PolarHBondContact O-N 3.27Å; G591-S593 PolarHBondContact O-N 3.4Å
594	I	87.3	Confident	86.7	Confident	56 Å²	56	67 Å²	67	29%	0.287	36%	0.36	S	S	.	.	S	Bend	trans	-106.8	111.3	-176.6	-58.5	169.4	0	0	0	107.8	T571 F572 K588 G591	T571-I594 CarbonylContact C-O 3.55Å; T571-I594 VanDerWaalsContact CA-O 3.23Å; T571-I594 WeakPolarHBondContact CA-O 3.43Å; T571-I594 WeakPolarHBondContact CB-O 3.26Å; F572-I594 HydrophobicContact CD2-CB 4.13Å; F572-I594 HydrophobicContact CD2-CG2 3.69Å; F572-I594 HydrophobicContact CE2-CG2 4Å; F572-I594 PolarHBondContact N-O 3.3Å; K588-I594 HydrophobicContact CG-CD1 4.42Å; G591-I594 PolarHBondContact O-N 2.93Å
595	P	86.6	Confident	87.1	Confident	80 Å²	80	64.2 Å²	64.2	52%	0.519	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-69.2	151.3	174.1	29.9	-34.3	0	0	0	110.8	H570	H570-P595 WeakPolarHBondContact O-CA 3.42Å
596	V	87.5	Confident	87.2	Confident	14 Å²	14	67.3 Å²	67.3	9%	0.085	35%	0.351	C	S	.	.			trans	-82	130.5	168	-172.4	0	0	0	0	108	I564 H570 F572 K601 Y604	I564-V596 HydrophobicContact CD1-CB 4.5Å; I564-V596 HydrophobicContact CD1-CG1 3.84Å; H570-V596 HydrophobicContact CB-CB 4.14Å; H570-V596 HydrophobicContact CB-CG2 3.84Å; H570-V596 PolarHBondContact O-N 3.18Å; F572-V596 HydrophobicContact CD2-CG2 3.99Å; F572-V596 HydrophobicContact CE2-CG2 3.97Å; V596-K601 HydrophobicContact CG1-CB 4.03Å; V596-Y604 HydrophobicContact CG1-CD1 4.37Å; V596-Y604 HydrophobicContact CG1-CG 4Å; V596-Y604 HydrophobicContact CG2-CD1 4.37Å; V596-Y604 HydrophobicContact CG2-CD2 3.38Å; V596-Y604 HydrophobicContact CG2-CE2 3.87Å; V596-Y604 HydrophobicContact CG2-CG 3.67Å
597	T	87.5	Confident	87.2	Confident	59 Å²	59	65.6 Å²	65.6	36%	0.362	34%	0.343	S	S	.	.			trans	-127.7	166.3	-177.6	63.4	0	0	0	0	109.8	D599 T600 K601	T597-D599 VanDerWaalsContact C-N 3.26Å; T597-D599 PolarHBondContact O-N 3.16Å; T597-T600 PolarHBondContact N-OG1 2.86Å; T597-T600 CarbonylContact O-C 3.25Å; T597-T600 PolarHBondContact O-N 2.63Å; T597-T600 PolarHBondContact O-OG1 3.43Å; T597-T600 WeakPolarHBondContact OG1-CG2 3.04Å; T597-T600 PolarHBondContact OG1-OG1 2.94Å; T597-K601 PolarHBondContact O-N 2.9Å
598	E	85.7	Confident	87.3	Confident	67 Å²	67	66.7 Å²	66.7	31%	0.313	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-42.2	178.2	-81.4	-63.3	115	0	0	113.5	D563 I564 T600 K601	D563-E598 WeakPolarHBondContact CA-OE1 3.16Å; I564-E598 WeakPolarHBondContact CG1-OE1 3.09Å; I564-E598 PolarHBondContact N-OE1 2.74Å; E598-T600 VanDerWaalsContact C-N 3.32Å; E598-T600 PolarHBondContact O-N 3.34Å; E598-K601 WeakPolarHBondContact O-CG 3.32Å; E598-K601 WeakPolarHBondContact OE1-CD 3.31Å; E598-K601 IonicContact OE1-NZ 3.46Å; E598-K601 PolarHBondContact OE1-NZ 2.99Å; E598-K601 VanDerWaalsContact OE2-CE 3.31Å; E598-K601 WeakPolarHBondContact OE2-CE 3Å; E598-K601 IonicContact OE2-NZ 3.8Å; E598-K601 PolarHBondContact OE2-NZ 3.06Å
599	D	87.1	Confident	87.2	Confident	155 Å²	155	64.9 Å²	64.9	83%	0.829	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.7	176.5	-61.8	-52.5	0	0	0	113.5	T597	T597-D599 VanDerWaalsContact C-N 3.26Å; T597-D599 PolarHBondContact O-N 3.16Å
600	T	89.3	Confident	87.2	Confident	36 Å²	36	61.9 Å²	61.9	22%	0.221	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-7.6	-171.9	63.2	0	0	0	0	114	T597 E598 K602 E603 Y604	T597-T600 PolarHBondContact N-OG1 2.86Å; T597-T600 CarbonylContact O-C 3.25Å; T597-T600 PolarHBondContact O-N 2.63Å; T597-T600 PolarHBondContact O-OG1 3.43Å; T597-T600 WeakPolarHBondContact OG1-CG2 3.04Å; T597-T600 PolarHBondContact OG1-OG1 2.94Å; E598-T600 VanDerWaalsContact C-N 3.32Å; E598-T600 PolarHBondContact O-N 3.34Å; T600-K602 VanDerWaalsContact C-N 3.27Å; T600-K602 PolarHBondContact O-N 2.89Å; T600-E603 WeakPolarHBondContact O-CA 3.22Å; T600-E603 VanDerWaalsContact O-CB 3.3Å; T600-E603 WeakPolarHBondContact O-CB 3.33Å; T600-E603 PolarHBondContact O-N 3.17Å; T600-Y604 PolarHBondContact O-N 3.36Å
601	K	89.4	Confident	87.2	Confident	11 Å²	11	57.3 Å²	57.3	5%	0.048	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-33.2	-178.8	76.3	-169.2	-171.8	176.3	0	113.8	I559 L560 N562 I564 V596 T597 E598 E603 Y604 V605	I559-K601 HydrophobicContact CG2-CB 4.21Å; I559-K601 VanDerWaalsContact O-CD 3.25Å; I559-K601 WeakPolarHBondContact O-CD 3.36Å; I559-K601 WeakPolarHBondContact O-CE 3.45Å; I559-K601 PolarHBondContact O-NZ 3.35Å; L560-K601 HydrophobicContact CD2-CG 4.49Å; L560-K601 VanDerWaalsContact O-CE 3.22Å; L560-K601 WeakPolarHBondContact O-CE 3.46Å; L560-K601 PolarHBondContact O-NZ 3.32Å; N562-K601 PolarHBondContact O-NZ 3.26Å; I564-K601 HydrophobicContact CD1-CB 3.89Å; I564-K601 HydrophobicContact CD1-CD 4.19Å; I564-K601 HydrophobicContact CG2-CD 4.33Å; V596-K601 HydrophobicContact CG1-CB 4.03Å; T597-K601 PolarHBondContact O-N 2.9Å; E598-K601 WeakPolarHBondContact O-CG 3.32Å; E598-K601 WeakPolarHBondContact OE1-CD 3.31Å; E598-K601 IonicContact OE1-NZ 3.46Å; E598-K601 PolarHBondContact OE1-NZ 2.99Å; E598-K601 VanDerWaalsContact OE2-CE 3.31Å; E598-K601 WeakPolarHBondContact OE2-CE 3Å; E598-K601 IonicContact OE2-NZ 3.8Å; E598-K601 PolarHBondContact OE2-NZ 3.06Å; K601-E603 VanDerWaalsContact C-N 3.33Å; K601-E603 PolarHBondContact O-N 3.16Å; K601-Y604 PolarHBondContact O-N 2.61Å; K601-V605 WeakPolarHBondContact O-CG2 3.24Å; K601-V605 PolarHBondContact O-N 3.08Å
602	K	88.4	Confident	87.2	Confident	158 Å²	158	60.8 Å²	60.8	69%	0.687	30%	0.303	S	S	*	.	H	α-helix	trans	-64.4	-36	172.8	-66.9	180	-178.7	176.1	0	112.6	L560 T600 R606	L560-K602 HydrophobicContact CD2-CG 4Å; T600-K602 VanDerWaalsContact C-N 3.27Å; T600-K602 PolarHBondContact O-N 2.89Å; K602-R606 WeakPolarHBondContact O-CB 3.47Å; K602-R606 PolarHBondContact O-N 3.35Å
603	E	90.3	Very high	87	Confident	67 Å²	67	57 Å²	57	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-69.9	-44.9	173.8	-169.4	-157.8	170.2	0	0	110.5	F572 K588 T600 K601 R606 L607	F572-E603 HydrophobicContact CE1-CB 4.21Å; F572-E603 HydrophobicContact CE1-CG 4.09Å; F572-E603 HydrophobicContact CZ-CB 4.29Å; K588-E603 VanDerWaalsContact CD-OE1 3.29Å; K588-E603 WeakPolarHBondContact CD-OE1 3.27Å; K588-E603 IonicContact NZ-OE1 3.82Å; K588-E603 PolarHBondContact NZ-OE1 3.04Å; K588-E603 IonicContact NZ-OE2 2.69Å; K588-E603 PolarHBondContact NZ-OE2 3.15Å; T600-E603 WeakPolarHBondContact O-CA 3.22Å; T600-E603 VanDerWaalsContact O-CB 3.3Å; T600-E603 WeakPolarHBondContact O-CB 3.33Å; T600-E603 PolarHBondContact O-N 3.17Å; K601-E603 VanDerWaalsContact C-N 3.33Å; K601-E603 PolarHBondContact O-N 3.16Å; E603-R606 PolarHBondContact O-N 3.29Å; E603-L607 HydrophobicContact CG-CD1 4.05Å; E603-L607 WeakPolarHBondContact O-CG 3.26Å; E603-L607 PolarHBondContact O-N 3.33Å
604	Y	89.8	Confident	86.9	Confident	10 Å²	10	54.5 Å²	54.5	4%	0.039	27%	0.265	C	S	.	.	H	α-helix	trans	-56.7	-53.7	178	175.9	-100	0	0	0	111.7	I559 T571 F572 L587 V596 T600 K601 R606 L607 Y608	I559-Y604 HydrophobicContact CD1-CE1 4.47Å; T571-Y604 VanDerWaalsContact O-CE2 3.3Å; T571-Y604 WeakPolarHBondContact O-CE2 3.48Å; F572-Y604 HydrophobicContact CD1-CD2 4.16Å; F572-Y604 HydrophobicContact CE1-CD2 4.38Å; F572-Y604 HydrophobicContact CG-CD2 4.35Å; L587-Y604 HydrophobicContact CD1-CD2 3.81Å; L587-Y604 HydrophobicContact CD1-CE2 3.71Å; V596-Y604 HydrophobicContact CG1-CD1 4.37Å; V596-Y604 HydrophobicContact CG1-CG 4Å; V596-Y604 HydrophobicContact CG2-CD1 4.37Å; V596-Y604 HydrophobicContact CG2-CD2 3.38Å; V596-Y604 HydrophobicContact CG2-CE2 3.87Å; V596-Y604 HydrophobicContact CG2-CG 3.67Å; T600-Y604 PolarHBondContact O-N 3.36Å; K601-Y604 PolarHBondContact O-N 2.61Å; Y604-R606 VanDerWaalsContact C-N 3.34Å; Y604-R606 PolarHBondContact O-N 3.46Å; Y604-L607 PolarHBondContact O-N 3.18Å; Y604-Y608 HydrophobicContact CE1-CD2 4.11Å; Y604-Y608 AromaticContact CZ-CD2 3.84Å; Y604-Y608 WeakPolarHBondContact O-CB 3.46Å; Y604-Y608 PolarHBondContact O-N 2.99Å
605	V	88.5	Confident	86.6	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-43.4	179.7	172.3	0	0	0	0	111.3	L542 L556 I559 L560 K601 L607 Y608 V609	L542-V605 HydrophobicContact CD1-CG1 4.28Å; L542-V605 HydrophobicContact CD2-CG1 4.18Å; L556-V605 HydrophobicContact CB-CG1 4.12Å; L556-V605 HydrophobicContact CD2-CG1 4.33Å; L556-V605 HydrophobicContact CD2-CG2 4.1Å; I559-V605 HydrophobicContact CB-CG2 4.45Å; I559-V605 HydrophobicContact CG2-CG2 3.91Å; L560-V605 HydrophobicContact CD1-CG1 4.26Å; L560-V605 HydrophobicContact CD2-CB 4.15Å; L560-V605 HydrophobicContact CD2-CG2 3.87Å; L560-V605 HydrophobicContact CG-CG1 4.44Å; L560-V605 HydrophobicContact CG-CG2 4.11Å; K601-V605 WeakPolarHBondContact O-CG2 3.24Å; K601-V605 PolarHBondContact O-N 3.08Å; V605-L607 PolarHBondContact O-N 3.41Å; V605-Y608 PolarHBondContact O-N 3.31Å; V605-V609 HydrophobicContact CG1-CG2 4.36Å; V605-V609 VanDerWaalsContact O-CG2 3.31Å; V605-V609 WeakPolarHBondContact O-CG2 3.27Å; V605-V609 PolarHBondContact O-N 2.79Å
606	R	87.4	Confident	86.3	Confident	136 Å²	136	52.8 Å²	52.8	51%	0.513	26%	0.258	S	S	.	.	H	α-helix	trans	-61.1	-42.5	176.7	-173.6	-171.4	67.3	84.2	2.5	112.5	K602 E603 Y604 N610	K602-R606 WeakPolarHBondContact O-CB 3.47Å; K602-R606 PolarHBondContact O-N 3.35Å; E603-R606 PolarHBondContact O-N 3.29Å; Y604-R606 VanDerWaalsContact C-N 3.34Å; Y604-R606 PolarHBondContact O-N 3.46Å; R606-N610 PolarHBondContact O-N 3.06Å; R606-N610 VanDerWaalsContact O-N 3.15Å
607	L	88.4	Confident	86.3	Confident	28 Å²	28	53.1 Å²	53.1	15%	0.147	26%	0.259	C	S	.	.	H	α-helix	trans	-70.2	-38.5	177.6	-69.4	172	0	0	0	111.7	F572 L587 K588 E603 Y604 V605 N610 W611	F572-L607 HydrophobicContact CD1-CD1 3.89Å; F572-L607 HydrophobicContact CE1-CD1 3.95Å; L587-L607 HydrophobicContact CB-CB 4.01Å; L587-L607 HydrophobicContact CB-CD1 4.28Å; L587-L607 HydrophobicContact CD1-CB 4.15Å; L587-L607 HydrophobicContact CG-CB 4.46Å; K588-L607 HydrophobicContact CB-CD1 4.17Å; K588-L607 HydrophobicContact CD-CD1 4.09Å; E603-L607 HydrophobicContact CG-CD1 4.05Å; E603-L607 WeakPolarHBondContact O-CG 3.26Å; E603-L607 PolarHBondContact O-N 3.33Å; Y604-L607 PolarHBondContact O-N 3.18Å; V605-L607 PolarHBondContact O-N 3.41Å; L607-N610 PolarHBondContact O-N 2.86Å; L607-W611 VanDerWaalsContact O-CB 3.28Å; L607-W611 WeakPolarHBondContact O-CB 3.31Å; L607-W611 PolarHBondContact O-N 3.3Å
608	Y	88.3	Confident	86.3	Confident	43 Å²	43	55.8 Å²	55.8	17%	0.169	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-48.2	175.9	-162.8	-64.8	0	0	0	111.2	L552 L556 V574 Y604 V605 W611 R612	L552-Y608 HydrophobicContact CD1-CD1 4.42Å; L552-Y608 HydrophobicContact CD1-CE1 3.65Å; L552-Y608 HydrophobicContact CD2-CE1 3.85Å; L552-Y608 HydrophobicContact CG-CE1 4.3Å; L556-Y608 HydrophobicContact CD1-CD1 4.15Å; L556-Y608 HydrophobicContact CD2-CD1 4.26Å; L556-Y608 HydrophobicContact CD2-CD2 4.49Å; L556-Y608 HydrophobicContact CD2-CG 4.11Å; V574-Y608 HydrophobicContact CB-CE2 4.22Å; V574-Y608 HydrophobicContact CG1-CD2 4.43Å; V574-Y608 HydrophobicContact CG1-CE2 3.63Å; V574-Y608 HydrophobicContact CG2-CD2 3.46Å; V574-Y608 VanDerWaalsContact CG2-CD2 3.46Å; V574-Y608 HydrophobicContact CG2-CE2 3.44Å; V574-Y608 VanDerWaalsContact CG2-CE2 3.44Å; V574-Y608 HydrophobicContact CG2-CG 4.37Å; Y604-Y608 HydrophobicContact CE1-CD2 4.11Å; Y604-Y608 AromaticContact CZ-CD2 3.84Å; Y604-Y608 WeakPolarHBondContact O-CB 3.46Å; Y604-Y608 PolarHBondContact O-N 2.99Å; V605-Y608 PolarHBondContact O-N 3.31Å; Y608-W611 HydrophobicContact CE1-CE3 4.4Å; Y608-W611 HydrophobicContact CE1-CZ3 4.34Å; Y608-W611 PolarHBondContact O-N 3.23Å; Y608-R612 HydrophobicContact CD1-CB 4.45Å; Y608-R612 HydrophobicContact CE1-CB 4.5Å; Y608-R612 WeakPolarHBondContact O-CB 3.16Å; Y608-R612 PolarHBondContact O-N 3.22Å
609	V	84.6	Confident	86.6	Confident	2 Å²	2	55 Å²	55	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-50	177.5	169.5	0	0	0	0	110.7	I540 L542 M545 L556 V605 W611 R612 F613	I540-V609 HydrophobicContact CB-CG1 4.49Å; I540-V609 HydrophobicContact CG2-CG1 3.59Å; L542-V609 HydrophobicContact CD1-CG2 3.93Å; M545-V609 HydrophobicContact CE-CB 4.19Å; M545-V609 HydrophobicContact CE-CG1 4.11Å; M545-V609 HydrophobicContact CE-CG2 3.94Å; L556-V609 HydrophobicContact CD1-CG2 3.92Å; V605-V609 HydrophobicContact CG1-CG2 4.36Å; V605-V609 VanDerWaalsContact O-CG2 3.31Å; V605-V609 WeakPolarHBondContact O-CG2 3.27Å; V605-V609 PolarHBondContact O-N 2.79Å; V609-W611 VanDerWaalsContact C-N 3.33Å; V609-W611 PolarHBondContact O-N 3.01Å; V609-R612 PolarHBondContact O-N 2.79Å; V609-F613 HydrophobicContact CG1-CD2 4.2Å; V609-F613 HydrophobicContact CG1-CE2 4.45Å; V609-F613 WeakPolarHBondContact O-CD2 3.26Å; V609-F613 PolarHBondContact O-N 2.66Å
610	N	85.6	Confident	86.9	Confident	49 Å²	49	48.1 Å²	48.1	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-57.1	-46.6	176.1	-88.5	3.2	0	0	0	111.9	R606 L607 F613 L614	R606-N610 PolarHBondContact O-N 3.06Å; R606-N610 VanDerWaalsContact O-N 3.15Å; L607-N610 PolarHBondContact O-N 2.86Å; N610-F613 PolarHBondContact O-N 3.32Å; N610-L614 VanDerWaalsContact O-CB 3.31Å; N610-L614 WeakPolarHBondContact O-CB 3.25Å; N610-L614 WeakPolarHBondContact O-CG 3.37Å; N610-L614 PolarHBondContact O-N 2.99Å; N610-L614 VanDerWaalsContact O-N 3.11Å
611	W	86.4	Confident	87.1	Confident	25 Å²	25	47 Å²	47	10%	0.095	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-48.8	178.5	172	80.8	0	0	0	111.7	V574 H576 H585 L587 L607 Y608 V609 F613 L614 H615	V574-W611 HydrophobicContact CB-CE3 4.41Å; V574-W611 HydrophobicContact CB-CH2 4.45Å; V574-W611 HydrophobicContact CB-CZ3 4.31Å; V574-W611 HydrophobicContact CG1-CE3 4.01Å; V574-W611 HydrophobicContact CG1-CH2 3.69Å; V574-W611 HydrophobicContact CG1-CZ2 4.35Å; V574-W611 HydrophobicContact CG1-CZ3 3.5Å; V574-W611 VanDerWaalsContact CG1-CZ3 3.5Å; H576-W611 HydrophobicContact CB-CH2 3.84Å; H576-W611 HydrophobicContact CB-CZ2 3.72Å; H585-W611 AromaticContact CD2-NE1 3.56Å; H585-W611 AromaticContact CE1-CD1 3.37Å; H585-W611 AromaticContact CE1-NE1 3.63Å; H585-W611 AromaticContact CG-CD1 3.83Å; H585-W611 AromaticContact CG-NE1 3.29Å; H585-W611 VanDerWaalsContact CG-NE1 3.29Å; H585-W611 AromaticContact ND1-CD1 3.36Å; H585-W611 AromaticContact ND1-NE1 3.32Å; H585-W611 PolarHBondContact ND1-NE1 2.96Å; H585-W611 AromaticContact NE2-CD1 3.79Å; H585-W611 AromaticContact NE2-NE1 3.76Å; L587-W611 HydrophobicContact CD2-CB 3.61Å; L587-W611 HydrophobicContact CD2-CD2 4.42Å; L587-W611 HydrophobicContact CD2-CG 3.83Å; L607-W611 VanDerWaalsContact O-CB 3.28Å; L607-W611 WeakPolarHBondContact O-CB 3.31Å; L607-W611 PolarHBondContact O-N 3.3Å; Y608-W611 HydrophobicContact CE1-CE3 4.4Å; Y608-W611 HydrophobicContact CE1-CZ3 4.34Å; Y608-W611 PolarHBondContact O-N 3.23Å; V609-W611 VanDerWaalsContact C-N 3.33Å; V609-W611 PolarHBondContact O-N 3.01Å; W611-F613 PolarHBondContact O-N 3.19Å; W611-F613 VanDerWaalsContact O-N 3.12Å; W611-L614 PolarHBondContact O-N 3.31Å; W611-L614 VanDerWaalsContact O-N 3.13Å; W611-H615 HydrophobicContact CD2-CB 4.34Å; W611-H615 AromaticContact CE2-CG 3.73Å; W611-H615 HydrophobicContact CG-CB 4.4Å; W611-H615 HydrophobicContact CZ2-CB 4.27Å; W611-H615 AromaticContact CZ2-CD2 3.79Å; W611-H615 AromaticContact CZ2-CG 3.87Å; W611-H615 AromaticContact NE1-CE1 3.98Å; W611-H615 AromaticContact NE1-CG 3.44Å; W611-H615 AromaticContact NE1-ND1 3.3Å; W611-H615 PolarHBondContact NE1-ND1 3.33Å; W611-H615 WeakPolarHBondContact O-CB 3.29Å; W611-H615 PolarHBondContact O-N 2.98Å
612	R	84	Confident	87.3	Confident	73 Å²	73	51.4 Å²	51.4	28%	0.275	25%	0.251	S	S	.	.	H	α-helix	trans	-59.8	-25.7	-178.5	174.5	61.1	180	81	4.9	114	M545 D549 L552 Y608 V609	M545-R612 HydrophobicContact CE-CB 3.89Å; M545-R612 HydrophobicContact CE-CG 3.64Å; M545-R612 HydrophobicContact SD-CG 3.87Å; D549-R612 IonicContact OD2-CZ 3.86Å; D549-R612 IonicContact OD2-NE 3.69Å; D549-R612 PolarHBondContact OD2-NE 3.17Å; D549-R612 IonicContact OD2-NH2 2.74Å; D549-R612 PolarHBondContact OD2-NH2 3.04Å; L552-R612 HydrophobicContact CD2-CG 3.79Å; Y608-R612 HydrophobicContact CD1-CB 4.45Å; Y608-R612 HydrophobicContact CE1-CB 4.5Å; Y608-R612 WeakPolarHBondContact O-CB 3.16Å; Y608-R612 PolarHBondContact O-N 3.22Å; V609-R612 PolarHBondContact O-N 2.79Å
613	F	79.9	Confident	87.6	Confident	17 Å²	17	44.6 Å²	44.6	8%	0.075	22%	0.224	C	C	.	.	H	α-helix	trans	-101.2	-7.9	179.3	-84.3	-74.2	0	0	0	115.2	P530 Q534 I540 M545 V548 V609 N610 W611 I617	P530-F613 HydrophobicContact CB-CD1 3.99Å; P530-F613 HydrophobicContact CB-CE1 3.52Å; P530-F613 HydrophobicContact CB-CZ 3.98Å; P530-F613 HydrophobicContact CG-CE1 3.61Å; P530-F613 HydrophobicContact CG-CZ 3.74Å; Q534-F613 PolarHBondContact NE2-O 3.37Å; I540-F613 HydrophobicContact CD1-CB 3.41Å; I540-F613 VanDerWaalsContact CD1-CB 3.41Å; I540-F613 HydrophobicContact CD1-CD1 4.1Å; I540-F613 HydrophobicContact CD1-CD2 4.08Å; I540-F613 HydrophobicContact CD1-CG 3.63Å; I540-F613 HydrophobicContact CG2-CD2 3.64Å; I540-F613 HydrophobicContact CG2-CE2 3.86Å; I540-F613 HydrophobicContact CG2-CG 4.26Å; M545-F613 HydrophobicContact CB-CE2 4.46Å; M545-F613 HydrophobicContact CE-CD2 3.83Å; M545-F613 HydrophobicContact CE-CE2 3.52Å; M545-F613 HydrophobicContact SD-CD2 4.42Å; M545-F613 HydrophobicContact SD-CE2 3.68Å; M545-F613 HydrophobicContact SD-CZ 4.17Å; V548-F613 HydrophobicContact CB-CE1 4.29Å; V548-F613 HydrophobicContact CB-CZ 4.07Å; V548-F613 HydrophobicContact CG1-CE1 4.18Å; V548-F613 HydrophobicContact CG1-CZ 4.33Å; V548-F613 HydrophobicContact CG2-CE1 3.96Å; V548-F613 HydrophobicContact CG2-CZ 3.97Å; V609-F613 HydrophobicContact CG1-CD2 4.2Å; V609-F613 HydrophobicContact CG1-CE2 4.45Å; V609-F613 WeakPolarHBondContact O-CD2 3.26Å; V609-F613 PolarHBondContact O-N 2.66Å; N610-F613 PolarHBondContact O-N 3.32Å; W611-F613 PolarHBondContact O-N 3.19Å; W611-F613 VanDerWaalsContact O-N 3.12Å; F613-I617 WeakPolarHBondContact O-CD1 3.42Å
614	L	82.4	Confident	87.9	Confident	53 Å²	53	41.4 Å²	41.4	28%	0.277	21%	0.209	S	C	.	.	H	α-helix	trans	-116.6	-30.3	-179.6	-70	173.4	0	0	0	112.4	N610 W611 G616 I617 E618	N610-L614 VanDerWaalsContact O-CB 3.31Å; N610-L614 WeakPolarHBondContact O-CB 3.25Å; N610-L614 WeakPolarHBondContact O-CG 3.37Å; N610-L614 PolarHBondContact O-N 2.99Å; N610-L614 VanDerWaalsContact O-N 3.11Å; W611-L614 PolarHBondContact O-N 3.31Å; W611-L614 VanDerWaalsContact O-N 3.13Å; L614-G616 PolarHBondContact O-N 2.81Å; L614-I617 WeakPolarHBondContact O-CG1 3.33Å; L614-I617 PolarHBondContact O-N 2.73Å; L614-E618 HydrophobicContact CB-CG 3.96Å; L614-E618 VanDerWaalsContact O-CG 3.25Å; L614-E618 WeakPolarHBondContact O-CG 3.35Å; L614-E618 PolarHBondContact O-N 3.32Å
615	H	82.4	Confident	88.1	Confident	65 Å²	65	42.6 Å²	42.6	30%	0.301	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	126.5	-175	-173	67.1	0	0	0	112.1	H576 H585 W611 I617	H576-H615 AromaticContact CD2-CD2 3.74Å; H576-H615 AromaticContact CD2-NE2 3.39Å; H576-H615 PolarHBondContact CD2-NE2 3.34Å; H576-H615 AromaticContact CG-NE2 3.94Å; H585-H615 AromaticContact CD2-ND1 3.98Å; W611-H615 HydrophobicContact CD2-CB 4.34Å; W611-H615 AromaticContact CE2-CG 3.73Å; W611-H615 HydrophobicContact CG-CB 4.4Å; W611-H615 HydrophobicContact CZ2-CB 4.27Å; W611-H615 AromaticContact CZ2-CD2 3.79Å; W611-H615 AromaticContact CZ2-CG 3.87Å; W611-H615 AromaticContact NE1-CE1 3.98Å; W611-H615 AromaticContact NE1-CG 3.44Å; W611-H615 AromaticContact NE1-ND1 3.3Å; W611-H615 PolarHBondContact NE1-ND1 3.33Å; W611-H615 WeakPolarHBondContact O-CB 3.29Å; W611-H615 PolarHBondContact O-N 2.98Å; H615-I617 PolarHBondContact O-N 2.86Å
616	G	78.4	Confident	88.4	Confident	35 Å²	35	48.2 Å²	48.2	36%	0.361	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	-7.5	-178.8	0	0	0	0	0	115.6	L614 Q620	L614-G616 PolarHBondContact O-N 2.81Å; G616-Q620 PolarHBondContact O-NE2 3.07Å; G616-Q620 PolarHBondContact O-OE1 3.13Å
617	I	87.9	Confident	88.8	Confident	22 Å²	22	41.8 Å²	41.8	11%	0.113	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-2.1	-177.1	73.4	163.3	0	0	0	115.4	I492 P494 F613 L614 H615 A619 Q620 F621	I492-I617 HydrophobicContact CB-CB 4.2Å; I492-I617 HydrophobicContact CB-CD1 4.27Å; I492-I617 HydrophobicContact CB-CG2 4.01Å; I492-I617 HydrophobicContact CD1-CD1 4.48Å; I492-I617 HydrophobicContact CG2-CB 3.86Å; I492-I617 HydrophobicContact CG2-CG2 3.68Å; P494-I617 HydrophobicContact CB-CG2 4.26Å; P494-I617 HydrophobicContact CG-CG2 3.99Å; F613-I617 WeakPolarHBondContact O-CD1 3.42Å; L614-I617 WeakPolarHBondContact O-CG1 3.33Å; L614-I617 PolarHBondContact O-N 2.73Å; H615-I617 PolarHBondContact O-N 2.86Å; I617-A619 PolarHBondContact O-N 3.48Å; I617-Q620 VanDerWaalsContact CA-OE1 3.29Å; I617-Q620 WeakPolarHBondContact O-CB 3.48Å; I617-Q620 PolarHBondContact O-N 3.02Å; I617-Q620 PolarHBondContact O-OE1 2.98Å; I617-F621 WeakPolarHBondContact O-CB 3.4Å; I617-F621 PolarHBondContact O-N 3.2Å
618	E	89	Confident	89.1	Confident	114 Å²	114	40.4 Å²	40.4	53%	0.533	21%	0.208	S	C	.	.	H	α-helix	trans	-55.9	-48.2	-174.9	-59.2	-169.6	172.6	0	0	113.4	L614 F621 L622	L614-E618 HydrophobicContact CB-CG 3.96Å; L614-E618 VanDerWaalsContact O-CG 3.25Å; L614-E618 WeakPolarHBondContact O-CG 3.35Å; L614-E618 PolarHBondContact O-N 3.32Å; E618-F621 PolarHBondContact O-N 3.29Å; E618-L622 WeakPolarHBondContact O-CB 3.48Å; E618-L622 VanDerWaalsContact O-CG 3.22Å; E618-L622 WeakPolarHBondContact O-CG 3Å; E618-L622 PolarHBondContact O-N 3.34Å
619	A	91.4	Very high	89.4	Confident	51 Å²	51	40.6 Å²	40.6	42%	0.421	21%	0.212	S	C	.	.	H	α-helix	trans	-67	-40.1	-177.3	0	0	0	0	0	111.8	L503 I617 A623	L503-A619 HydrophobicContact CD2-CB 3.84Å; I617-A619 PolarHBondContact O-N 3.48Å; A619-A623 WeakPolarHBondContact O-CB 3.21Å; A619-A623 PolarHBondContact O-N 3.09Å
620	Q	93.3	Very high	89.8	Confident	11 Å²	11	42.7 Å²	42.7	5%	0.051	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-49.8	175.9	-62.4	88.7	-34.4	0	0	110.7	I492 S496 L503 F506 G616 I617 A623 L624	I492-Q620 HydrophobicContact CD1-CB 4.3Å; I492-Q620 HydrophobicContact CG2-CB 3.78Å; I492-Q620 HydrophobicContact CG2-CG 4.1Å; S496-Q620 WeakPolarHBondContact OG-CG 3.13Å; S496-Q620 PolarHBondContact OG-NE2 3.2Å; S496-Q620 VanDerWaalsContact OG-NE2 3.09Å; L503-Q620 HydrophobicContact CD2-CG 4.21Å; F506-Q620 WeakPolarHBondContact CB-O 3.45Å; F506-Q620 HydrophobicContact CD1-CB 4.39Å; F506-Q620 HydrophobicContact CD2-CB 3.52Å; F506-Q620 HydrophobicContact CD2-CG 3.61Å; F506-Q620 HydrophobicContact CE1-CB 4.38Å; F506-Q620 HydrophobicContact CE2-CB 3.54Å; F506-Q620 HydrophobicContact CE2-CG 3.27Å; F506-Q620 HydrophobicContact CG-CB 4Å; F506-Q620 HydrophobicContact CZ-CB 3.98Å; F506-Q620 HydrophobicContact CZ-CG 3.95Å; G616-Q620 PolarHBondContact O-NE2 3.07Å; G616-Q620 PolarHBondContact O-OE1 3.13Å; I617-Q620 VanDerWaalsContact CA-OE1 3.29Å; I617-Q620 WeakPolarHBondContact O-CB 3.48Å; I617-Q620 PolarHBondContact O-N 3.02Å; I617-Q620 PolarHBondContact O-OE1 2.98Å; Q620-A623 PolarHBondContact O-N 2.82Å; Q620-L624 PolarHBondContact O-N 3.12Å
621	F	93.2	Very high	90.2	Very high	12 Å²	12	40.3 Å²	40.3	5%	0.053	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-42.5	179.8	-171.5	-89.2	0	0	0	111.7	I492 F531 Q534 L535 I617 E618 A623 L624 Q625	I492-F621 HydrophobicContact CD1-CB 4.02Å; I492-F621 HydrophobicContact CD1-CD2 3.99Å; F531-F621 HydrophobicContact CD2-CD2 4.07Å; F531-F621 AromaticContact CD2-CE2 3.76Å; F531-F621 HydrophobicContact CD2-CE2 3.76Å; F531-F621 HydrophobicContact CE2-CD2 4.07Å; F531-F621 AromaticContact CE2-CE2 3.84Å; F531-F621 HydrophobicContact CE2-CE2 3.84Å; F531-F621 HydrophobicContact CG-CE2 4.46Å; Q534-F621 HydrophobicContact CB-CE1 3.78Å; Q534-F621 HydrophobicContact CB-CE2 3.79Å; Q534-F621 HydrophobicContact CB-CZ 3.32Å; Q534-F621 HydrophobicContact CG-CZ 4.5Å; L535-F621 HydrophobicContact CB-CZ 4.31Å; L535-F621 HydrophobicContact CD1-CZ 4.41Å; I617-F621 WeakPolarHBondContact O-CB 3.4Å; I617-F621 PolarHBondContact O-N 3.2Å; E618-F621 PolarHBondContact O-N 3.29Å; F621-A623 VanDerWaalsContact C-N 3.34Å; F621-A623 PolarHBondContact O-N 2.82Å; F621-L624 PolarHBondContact O-N 3.28Å; F621-Q625 HydrophobicContact CD1-CB 4.41Å; F621-Q625 HydrophobicContact CE1-CB 4.02Å; F621-Q625 HydrophobicContact CE1-CG 4.5Å; F621-Q625 VanDerWaalsContact O-CB 3.3Å; F621-Q625 WeakPolarHBondContact O-CB 3.2Å; F621-Q625 PolarHBondContact O-N 2.96Å
622	L	93.6	Very high	90.5	Very high	104 Å²	104	39.1 Å²	39.1	55%	0.545	20%	0.204	S	C	.	.	H	α-helix	trans	-62.8	-39.1	175.5	-74.3	170.3	0	0	0	112.2	E618 K626	E618-L622 WeakPolarHBondContact O-CB 3.48Å; E618-L622 VanDerWaalsContact O-CG 3.22Å; E618-L622 WeakPolarHBondContact O-CG 3Å; E618-L622 PolarHBondContact O-N 3.34Å; L622-K626 VanDerWaalsContact O-CB 3.24Å; L622-K626 WeakPolarHBondContact O-CB 3.27Å; L622-K626 PolarHBondContact O-N 3.3Å
623	A	95.4	Very high	90.7	Very high	15 Å²	15	36.9 Å²	36.9	12%	0.124	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-45.1	174.7	0	0	0	0	0	111.7	L503 F506 H507 A619 Q620 F621 K626 G627	L503-A623 HydrophobicContact CB-CB 4.4Å; L503-A623 WeakPolarHBondContact O-CB 3.32Å; F506-A623 HydrophobicContact CB-CB 4.07Å; H507-A623 WeakPolarHBondContact CA-O 3.36Å; H507-A623 HydrophobicContact CB-CB 4.44Å; H507-A623 PolarHBondContact CD2-O 2.91Å; A619-A623 WeakPolarHBondContact O-CB 3.21Å; A619-A623 PolarHBondContact O-N 3.09Å; Q620-A623 PolarHBondContact O-N 2.82Å; F621-A623 VanDerWaalsContact C-N 3.34Å; F621-A623 PolarHBondContact O-N 2.82Å; A623-K626 PolarHBondContact O-N 2.71Å; A623-G627 PolarHBondContact O-N 3.23Å; A623-G627 VanDerWaalsContact O-N 3.12Å
624	L	95.4	Very high	91.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-51.1	175.5	-172.6	152.5	0	0	0	112	F480 F506 V509 G510 M513 F531 L535 Q620 F621 K626 G627 F628	F480-L624 HydrophobicContact CZ-CD1 4.35Å; F506-L624 HydrophobicContact CB-CB 4.22Å; F506-L624 HydrophobicContact CD1-CD1 4.32Å; F506-L624 VanDerWaalsContact O-CA 3.27Å; F506-L624 WeakPolarHBondContact O-CA 3.5Å; V509-L624 HydrophobicContact CB-CD1 4.39Å; V509-L624 HydrophobicContact CG1-CD1 3.87Å; G510-L624 WeakPolarHBondContact CA-O 3.3Å; M513-L624 HydrophobicContact SD-CD1 4.39Å; M513-L624 HydrophobicContact SD-CD2 4.07Å; F531-L624 HydrophobicContact CE2-CD1 4.05Å; F531-L624 HydrophobicContact CE2-CD2 4.28Å; F531-L624 HydrophobicContact CZ-CD1 3.82Å; F531-L624 HydrophobicContact CZ-CD2 3.79Å; F531-L624 HydrophobicContact CZ-CG 4.49Å; L535-L624 HydrophobicContact CD1-CD2 4.22Å; Q620-L624 PolarHBondContact O-N 3.12Å; F621-L624 PolarHBondContact O-N 3.28Å; L624-K626 VanDerWaalsContact C-N 3.26Å; L624-K626 PolarHBondContact O-N 3.15Å; L624-G627 PolarHBondContact O-N 2.9Å; L624-F628 PolarHBondContact O-N 2.93Å
625	Q	94.9	Very high	91.3	Very high	34 Å²	34	42.6 Å²	42.6	16%	0.159	22%	0.224	C	C	.	.	H	α-helix	trans	-58.9	-38.4	178.9	-179.8	176	68.4	0	0	111.6	Q534 L535 F621 F628 N629	Q534-Q625 PolarHBondContact O-NE2 2.83Å; L535-Q625 HydrophobicContact CD1-CB 4.23Å; L535-Q625 HydrophobicContact CD1-CG 4.22Å; F621-Q625 HydrophobicContact CD1-CB 4.41Å; F621-Q625 HydrophobicContact CE1-CB 4.02Å; F621-Q625 HydrophobicContact CE1-CG 4.5Å; F621-Q625 VanDerWaalsContact O-CB 3.3Å; F621-Q625 WeakPolarHBondContact O-CB 3.2Å; F621-Q625 PolarHBondContact O-N 2.96Å; Q625-F628 PolarHBondContact O-N 3.37Å; Q625-N629 WeakPolarHBondContact CG-ND2 3.4Å; Q625-N629 VanDerWaalsContact O-CB 3.23Å; Q625-N629 WeakPolarHBondContact O-CB 3.37Å; Q625-N629 PolarHBondContact O-N 2.84Å; Q625-N629 PolarHBondContact O-ND2 2.97Å
626	K	94.9	Very high	91.6	Very high	124 Å²	124	40.7 Å²	40.7	54%	0.539	22%	0.216	S	C	.	.	H	α-helix	trans	-60.8	-47.1	173.1	-179.9	-171	173.7	-166.9	0	111.7	L622 A623 L624 F628 N629 E630	L622-K626 VanDerWaalsContact O-CB 3.24Å; L622-K626 WeakPolarHBondContact O-CB 3.27Å; L622-K626 PolarHBondContact O-N 3.3Å; A623-K626 PolarHBondContact O-N 2.71Å; L624-K626 VanDerWaalsContact C-N 3.26Å; L624-K626 PolarHBondContact O-N 3.15Å; K626-F628 VanDerWaalsContact C-N 3.31Å; K626-F628 PolarHBondContact O-N 3.19Å; K626-N629 PolarHBondContact O-N 3.32Å; K626-E630 VanDerWaalsContact CE-OE1 3.29Å; K626-E630 WeakPolarHBondContact CE-OE1 3.42Å; K626-E630 WeakPolarHBondContact O-CG 3.49Å; K626-E630 PolarHBondContact O-N 3.21Å
627	G	95.5	Very high	92	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.2	-37.7	-178.8	0	0	0	0	0	112.4	H507 R511 A623 L624	H507-G627 WeakPolarHBondContact CD2-CA 3.33Å; H507-G627 PolarHBondContact CD2-N 3.02Å; R511-G627 WeakPolarHBondContact CA-O 3.27Å; R511-G627 WeakPolarHBondContact CG-O 3.3Å; A623-G627 PolarHBondContact O-N 3.23Å; A623-G627 VanDerWaalsContact O-N 3.12Å; L624-G627 PolarHBondContact O-N 2.9Å
628	F	95.3	Very high	91.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-48.8	174.5	-174.6	-102.9	0	0	0	111.9	G510 M513 V517 L535 L624 Q625 K626 E630 V631 I632 L637	G510-F628 VanDerWaalsContact C-N 3.32Å; G510-F628 WeakPolarHBondContact O-CA 3.09Å; G510-F628 PolarHBondContact O-N 3.46Å; M513-F628 HydrophobicContact CB-CD2 3.71Å; M513-F628 HydrophobicContact CB-CE2 4.09Å; V517-F628 HydrophobicContact CG2-CE2 4.33Å; L535-F628 HydrophobicContact CD1-CB 4.23Å; L535-F628 HydrophobicContact CD1-CD1 3.68Å; L535-F628 HydrophobicContact CD1-CE1 4.23Å; L535-F628 HydrophobicContact CD1-CG 4.06Å; L535-F628 HydrophobicContact CD2-CD1 3.95Å; L535-F628 HydrophobicContact CD2-CD2 4.32Å; L535-F628 HydrophobicContact CD2-CE1 3.8Å; L535-F628 HydrophobicContact CD2-CE2 4.23Å; L535-F628 HydrophobicContact CD2-CG 4.19Å; L535-F628 HydrophobicContact CD2-CZ 3.96Å; L535-F628 HydrophobicContact CG-CD1 3.86Å; L535-F628 HydrophobicContact CG-CE1 3.87Å; L535-F628 HydrophobicContact CG-CG 4.45Å; L624-F628 PolarHBondContact O-N 2.93Å; Q625-F628 PolarHBondContact O-N 3.37Å; K626-F628 VanDerWaalsContact C-N 3.31Å; K626-F628 PolarHBondContact O-N 3.19Å; F628-E630 VanDerWaalsContact C-N 3.26Å; F628-E630 PolarHBondContact O-N 2.85Å; F628-V631 PolarHBondContact O-N 2.86Å; F628-I632 HydrophobicContact CE1-CB 4.44Å; F628-I632 HydrophobicContact CZ-CB 4.42Å; F628-I632 HydrophobicContact CZ-CG1 4.5Å; F628-I632 PolarHBondContact O-N 2.91Å; F628-L637 HydrophobicContact CE1-CD1 3.4Å; F628-L637 VanDerWaalsContact CE1-CD1 3.4Å; F628-L637 HydrophobicContact CZ-CD1 3.86Å
629	N	94.1	Very high	91.2	Very high	47 Å²	47	43.1 Å²	43.1	25%	0.251	22%	0.224	S	C	.	.	H	α-helix	trans	-68	-21	179.7	-74.2	-18.8	0	0	0	114	Q625 K626 V631 I632	Q625-N629 WeakPolarHBondContact CG-ND2 3.4Å; Q625-N629 VanDerWaalsContact O-CB 3.23Å; Q625-N629 WeakPolarHBondContact O-CB 3.37Å; Q625-N629 PolarHBondContact O-N 2.84Å; Q625-N629 PolarHBondContact O-ND2 2.97Å; K626-N629 PolarHBondContact O-N 3.32Å; N629-V631 VanDerWaalsContact C-N 3.29Å; N629-I632 WeakPolarHBondContact CA-O 3.26Å
630	E	93.4	Very high	90.5	Very high	45 Å²	45	41.1 Å²	41.1	21%	0.21	21%	0.206	C	C	.	.	H	α-helix	trans	-65.9	-31.3	170.1	-83.5	171.4	-152.9	0	0	112.2	P438 H507 R511 K626 F628	P438-E630 HydrophobicContact CB-CB 4.31Å; P438-E630 WeakPolarHBondContact CB-O 3.37Å; P438-E630 HydrophobicContact CG-CB 3.96Å; P438-E630 HydrophobicContact CG-CG 4.11Å; H507-E630 IonicContact CD2-OE1 2.96Å; H507-E630 IonicContact CE1-OE1 3.37Å; H507-E630 PolarHBondContact CE1-OE1 3.18Å; H507-E630 IonicContact CE1-OE2 3.58Å; H507-E630 VanDerWaalsContact NE2-CD 3.32Å; H507-E630 IonicContact NE2-OE1 2.71Å; H507-E630 PolarHBondContact NE2-OE1 2.78Å; H507-E630 IonicContact NE2-OE2 3.2Å; H507-E630 PolarHBondContact NE2-OE2 3.26Å; R511-E630 IonicContact CZ-OE2 2.66Å; R511-E630 VanDerWaalsContact CZ-OE2 3.23Å; R511-E630 IonicContact NE-OE2 2.66Å; R511-E630 PolarHBondContact NE-OE2 3.23Å; R511-E630 IonicContact NH2-OE2 3.56Å; R511-E630 PolarHBondContact NH2-OE2 2.84Å; K626-E630 VanDerWaalsContact CE-OE1 3.29Å; K626-E630 WeakPolarHBondContact CE-OE1 3.42Å; K626-E630 WeakPolarHBondContact O-CG 3.49Å; K626-E630 PolarHBondContact O-N 3.21Å; F628-E630 VanDerWaalsContact C-N 3.26Å; F628-E630 PolarHBondContact O-N 2.85Å
631	V	93	Very high	89.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-99.8	-42.8	-178	-174.1	0	0	0	0	112	L441 W442 R511 G514 M515 F518 F628 N629	L441-V631 HydrophobicContact CD1-CG2 3.9Å; W442-V631 PolarHBondContact NE1-O 3.37Å; R511-V631 HydrophobicContact CB-CG2 4.49Å; R511-V631 HydrophobicContact CG-CG2 4.42Å; G514-V631 VanDerWaalsContact C-CG1 3.49Å; M515-V631 HydrophobicContact CG-CG1 4.34Å; F518-V631 HydrophobicContact CB-CG1 4.04Å; F518-V631 HydrophobicContact CD2-CG1 4.29Å; F518-V631 HydrophobicContact CG-CG1 4.38Å; F628-V631 PolarHBondContact O-N 2.86Å; N629-V631 VanDerWaalsContact C-N 3.29Å
632	I	92.6	Very high	88.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-113.1	110.5	179.5	-58.7	-64	0	0	0	109.8	L406 G514 V517 F518 F628 N629 Q634 L637	L406-I632 HydrophobicContact CD1-CD1 4.03Å; L406-I632 HydrophobicContact CD2-CD1 3.78Å; G514-I632 WeakPolarHBondContact O-CG1 3.43Å; V517-I632 HydrophobicContact CB-CD1 4.13Å; V517-I632 HydrophobicContact CB-CG1 4.18Å; V517-I632 HydrophobicContact CG1-CD1 3.9Å; V517-I632 HydrophobicContact CG1-CG1 4.17Å; F518-I632 HydrophobicContact CB-CD1 3.85Å; F518-I632 HydrophobicContact CD2-CD1 4.11Å; F518-I632 HydrophobicContact CG-CD1 4.49Å; F628-I632 HydrophobicContact CE1-CB 4.44Å; F628-I632 HydrophobicContact CZ-CB 4.42Å; F628-I632 HydrophobicContact CZ-CG1 4.5Å; F628-I632 PolarHBondContact O-N 2.91Å; N629-I632 WeakPolarHBondContact CA-O 3.26Å; I632-Q634 PolarHBondContact O-N 3.34Å; I632-L637 HydrophobicContact CG2-CD1 3.76Å; I632-L637 HydrophobicContact CG2-CD2 4.07Å; I632-L637 HydrophobicContact CG2-CG 3.9Å
633	P	89.4	Confident	87.5	Confident	26 Å²	26	44.1 Å²	44.1	17%	0.169	22%	0.216	C	C	.	.			trans	-60.5	119.2	177	-25.5	34.6	0	0	0	112.7	H635 L636	P633-H635 WeakPolarHBondContact CB-CE1 3.39Å; P633-H635 WeakPolarHBondContact CB-ND1 3.37Å; P633-H635 PolarHBondContact O-N 3.12Å; P633-L636 HydrophobicContact CB-CD1 4.38Å; P633-L636 HydrophobicContact CB-CG 4.39Å; P633-L636 HydrophobicContact CG-CD1 4.34Å; P633-L636 WeakPolarHBondContact O-CB 3.34Å; P633-L636 PolarHBondContact O-N 2.85Å
634	Q	86.8	Confident	86.7	Confident	76 Å²	76	44 Å²	44	36%	0.355	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-52.2	-28	-174.9	-163.4	-177.1	23.9	0	0	114.6	I632 L636 L637	I632-Q634 PolarHBondContact O-N 3.34Å; Q634-L636 VanDerWaalsContact C-N 3.29Å; Q634-L636 PolarHBondContact O-N 3.34Å; Q634-L637 PolarHBondContact O-N 2.96Å; Q634-L637 VanDerWaalsContact O-N 3.16Å
635	H	87.3	Confident	86.1	Confident	114 Å²	114	44 Å²	44	53%	0.528	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-65.2	-30	178.5	70	-94.1	0	0	0	113.5	P633 L637 K638	P633-H635 WeakPolarHBondContact CB-CE1 3.39Å; P633-H635 WeakPolarHBondContact CB-ND1 3.37Å; P633-H635 PolarHBondContact O-N 3.12Å; H635-L637 PolarHBondContact O-N 3.27Å; H635-K638 PolarHBondContact O-N 3.16Å
636	L	88.3	Confident	85.4	Confident	25 Å²	25	45.3 Å²	45.3	13%	0.131	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-68.4	-23.9	176.2	-61.2	178.7	0	0	0	112	L402 E405 L406 P633 Q634 F640	L402-L636 HydrophobicContact CD1-CB 3.79Å; L402-L636 HydrophobicContact CD1-CD1 4.24Å; E405-L636 HydrophobicContact CB-CD1 4.35Å; E405-L636 HydrophobicContact CB-CD2 4.02Å; E405-L636 HydrophobicContact CG-CD2 4.11Å; L406-L636 HydrophobicContact CD2-CD1 3.87Å; L406-L636 HydrophobicContact CG-CD1 4.4Å; P633-L636 HydrophobicContact CB-CD1 4.38Å; P633-L636 HydrophobicContact CB-CG 4.39Å; P633-L636 HydrophobicContact CG-CD1 4.34Å; P633-L636 WeakPolarHBondContact O-CB 3.34Å; P633-L636 PolarHBondContact O-N 2.85Å; Q634-L636 VanDerWaalsContact C-N 3.29Å; Q634-L636 PolarHBondContact O-N 3.34Å; L636-F640 WeakPolarHBondContact O-CE2 3.48Å
637	L	86.4	Confident	84.4	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.01	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-89.4	-8.5	-176.3	-60.3	178.8	0	0	0	113.9	L402 L536 F628 I632 Q634 H635 A639 F640 L645	L402-L637 HydrophobicContact CD1-CD2 4.46Å; L402-L637 HydrophobicContact CD2-CD2 4.35Å; L536-L637 HydrophobicContact CD2-CB 3.86Å; L536-L637 WeakPolarHBondContact CD2-O 3.42Å; F628-L637 HydrophobicContact CE1-CD1 3.4Å; F628-L637 VanDerWaalsContact CE1-CD1 3.4Å; F628-L637 HydrophobicContact CZ-CD1 3.86Å; I632-L637 HydrophobicContact CG2-CD1 3.76Å; I632-L637 HydrophobicContact CG2-CD2 4.07Å; I632-L637 HydrophobicContact CG2-CG 3.9Å; Q634-L637 PolarHBondContact O-N 2.96Å; Q634-L637 VanDerWaalsContact O-N 3.16Å; H635-L637 PolarHBondContact O-N 3.27Å; L637-A639 PolarHBondContact O-N 2.84Å; L637-A639 VanDerWaalsContact O-N 3.1Å; L637-F640 HydrophobicContact CD2-CD2 4.35Å; L637-F640 PolarHBondContact O-N 2.66Å; L637-L645 HydrophobicContact CD2-CD1 4.46Å
638	K	83.4	Confident	83.8	Confident	169 Å²	169	42.5 Å²	42.5	74%	0.735	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.9	-177.7	-71.8	-177.7	174.9	-175.2	0	114.6	H635 F640	H635-K638 PolarHBondContact O-N 3.16Å; K638-F640 VanDerWaalsContact C-N 3.29Å
639	A	77.3	Confident	83.3	Confident	51 Å²	51	42.5 Å²	42.5	42%	0.421	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.6	179.6	0	0	0	0	0	113.8	K398 L637	K398-A639 WeakPolarHBondContact CE-O 3.24Å; K398-A639 PolarHBondContact NZ-O 2.71Å; L637-A639 PolarHBondContact O-N 2.84Å; L637-A639 VanDerWaalsContact O-N 3.1Å
640	F	77.9	Confident	82.5	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.035	20%	0.201	C	C	.	.			trans	-98.1	150.3	-173.5	-61.9	-91.8	0	0	0	112.4	L395 K398 L402 K538 L636 L637 K638 E644 I648	L395-F640 HydrophobicContact CD1-CD1 3.66Å; L395-F640 HydrophobicContact CD1-CE1 3.69Å; K398-F640 HydrophobicContact CB-CD1 4.35Å; K398-F640 HydrophobicContact CB-CE1 3.53Å; K398-F640 HydrophobicContact CB-CZ 3.72Å; K398-F640 HydrophobicContact CD-CD1 4.22Å; K398-F640 HydrophobicContact CD-CE1 4.21Å; L402-F640 HydrophobicContact CB-CE2 4.32Å; L402-F640 HydrophobicContact CB-CZ 3.94Å; L402-F640 HydrophobicContact CD2-CE2 4.06Å; L402-F640 HydrophobicContact CD2-CZ 3.82Å; L402-F640 HydrophobicContact CG-CZ 4.43Å; K538-F640 PolarHBondContact NZ-O 2.77Å; L636-F640 WeakPolarHBondContact O-CE2 3.48Å; L637-F640 HydrophobicContact CD2-CD2 4.35Å; L637-F640 PolarHBondContact O-N 2.66Å; K638-F640 VanDerWaalsContact C-N 3.29Å; F640-E644 VanDerWaalsContact CA-OE2 3.26Å; F640-E644 WeakPolarHBondContact CA-OE2 3.42Å; F640-E644 HydrophobicContact CB-CB 4.32Å; F640-E644 HydrophobicContact CD1-CB 4.2Å; F640-I648 HydrophobicContact CD1-CD1 3.42Å; F640-I648 VanDerWaalsContact CD1-CD1 3.42Å; F640-I648 HydrophobicContact CE1-CD1 3.32Å; F640-I648 HydrophobicContact CG-CD1 4.26Å; F640-I648 HydrophobicContact CZ-CD1 4.09Å
641	D	72.4	Confident	81.5	Confident	27 Å²	27	38.9 Å²	38.9	14%	0.144	19%	0.194	C	C	.	.			trans	-94.6	166.8	162.5	78.1	45.8	0	0	0	114.4	K538 K643 E644 L645	K538-D641 VanDerWaalsContact NZ-CA 3.33Å; D641-K643 PolarHBondContact O-N 2.92Å; D641-K643 PolarHBondContact OD1-N 2.89Å; D641-K643 VanDerWaalsContact OD1-N 3.11Å; D641-E644 PolarHBondContact N-OE2 2.89Å; D641-E644 CarbonylContact O-C 3.56Å; D641-E644 WeakPolarHBondContact O-CB 3.13Å; D641-E644 PolarHBondContact O-N 2.86Å; D641-E644 WeakPolarHBondContact OD1-CG 3.01Å; D641-E644 PolarHBondContact OD1-N 2.79Å; D641-L645 WeakPolarHBondContact O-CB 3.34Å; D641-L645 PolarHBondContact O-N 3.25Å
642	E	75.6	Confident	80.1	Confident	41 Å²	41	41.4 Å²	41.4	19%	0.192	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-32.7	-173.9	45.8	-76.9	178	0	0	112.2	K533 L536 K538 E646	K533-E642 HydrophobicContact CB-CB 4.07Å; K533-E642 HydrophobicContact CB-CG 4.45Å; K533-E642 HydrophobicContact CG-CB 4.48Å; K533-E642 HydrophobicContact CG-CG 4.46Å; L536-E642 HydrophobicContact CD1-CB 4.39Å; K538-E642 IonicContact NZ-OE2 2.74Å; K538-E642 PolarHBondContact NZ-OE2 2.74Å; E642-E646 WeakPolarHBondContact O-CB 3.4Å; E642-E646 PolarHBondContact O-N 3.19Å; E642-E646 VanDerWaalsContact O-N 3.09Å
643	K	68.6	Low	78.6	Confident	123 Å²	123	43.4 Å²	43.4	54%	0.535	23%	0.227	S	C	.	.	H	α-helix	trans	-78.9	-38.7	173.3	-58.2	-176.6	179.5	-170.3	0	111	L529 D641 L645 L647	L529-K643 HydrophobicContact CD1-CG 4.45Å; L529-K643 HydrophobicContact CD2-CG 3.85Å; D641-K643 PolarHBondContact O-N 2.92Å; D641-K643 PolarHBondContact OD1-N 2.89Å; D641-K643 VanDerWaalsContact OD1-N 3.11Å; K643-L645 VanDerWaalsContact C-N 3.3Å; K643-L645 PolarHBondContact O-N 2.77Å; K643-L647 WeakPolarHBondContact O-CD1 3.48Å; K643-L647 VanDerWaalsContact O-CG 3.28Å; K643-L647 WeakPolarHBondContact O-CG 3.39Å; K643-L647 PolarHBondContact O-N 2.7Å; K643-L647 VanDerWaalsContact O-N 3.12Å
644	E	77.6	Confident	77.7	Confident	11 Å²	11	49.4 Å²	49.4	5%	0.051	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-37.2	171.6	-70.2	-177.7	146.6	0	0	112.1	L395 K398 F640 D641 I648	L395-E644 HydrophobicContact CB-CG 4.42Å; L395-E644 HydrophobicContact CD1-CB 3.59Å; L395-E644 HydrophobicContact CD1-CG 3.7Å; L395-E644 HydrophobicContact CD2-CB 4.07Å; L395-E644 HydrophobicContact CD2-CG 3.95Å; L395-E644 HydrophobicContact CG-CB 4.4Å; L395-E644 HydrophobicContact CG-CG 4.21Å; K398-E644 IonicContact NZ-OE1 4Å; K398-E644 PolarHBondContact NZ-OE1 2.89Å; K398-E644 IonicContact NZ-OE2 2.89Å; K398-E644 PolarHBondContact NZ-OE2 2.86Å; F640-E644 VanDerWaalsContact CA-OE2 3.26Å; F640-E644 WeakPolarHBondContact CA-OE2 3.42Å; F640-E644 HydrophobicContact CB-CB 4.32Å; F640-E644 HydrophobicContact CD1-CB 4.2Å; D641-E644 PolarHBondContact N-OE2 2.89Å; D641-E644 CarbonylContact O-C 3.56Å; D641-E644 WeakPolarHBondContact O-CB 3.13Å; D641-E644 PolarHBondContact O-N 2.86Å; D641-E644 WeakPolarHBondContact OD1-CG 3.01Å; D641-E644 PolarHBondContact OD1-N 2.79Å; E644-I648 WeakPolarHBondContact O-CD1 3.36Å; E644-I648 VanDerWaalsContact O-CG1 3.23Å; E644-I648 WeakPolarHBondContact O-CG1 3.19Å; E644-I648 PolarHBondContact O-N 2.81Å
645	L	82.9	Confident	77.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-74.5	-42.6	177.4	-179.6	61.1	0	0	0	112.5	Y532 L535 L536 L637 D641 K643 L647 I648 V649	Y532-L645 HydrophobicContact CD1-CD2 4.27Å; Y532-L645 HydrophobicContact CD1-CG 4.16Å; L535-L645 HydrophobicContact CB-CD2 4.41Å; L535-L645 HydrophobicContact CD2-CD2 4.27Å; L536-L645 HydrophobicContact CD1-CB 4.42Å; L536-L645 HydrophobicContact CD1-CD2 4.34Å; L536-L645 HydrophobicContact CD2-CD2 3.79Å; L536-L645 HydrophobicContact CG-CD2 3.72Å; L637-L645 HydrophobicContact CD2-CD1 4.46Å; D641-L645 WeakPolarHBondContact O-CB 3.34Å; D641-L645 PolarHBondContact O-N 3.25Å; K643-L645 VanDerWaalsContact C-N 3.3Å; K643-L645 PolarHBondContact O-N 2.77Å; L645-L647 VanDerWaalsContact C-N 3.28Å; L645-L647 PolarHBondContact O-N 2.81Å; L645-I648 WeakPolarHBondContact O-CB 3.41Å; L645-I648 PolarHBondContact O-N 3.13Å; L645-V649 HydrophobicContact CD1-CG2 4.14Å; L645-V649 HydrophobicContact CG-CG2 4.43Å; L645-V649 WeakPolarHBondContact O-CG2 3.42Å; L645-V649 PolarHBondContact O-N 3.05Å
646	E	80.5	Confident	77.3	Confident	63 Å²	63	45.2 Å²	45.2	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-50.1	-50.9	170.6	178	-172.6	-167.3	0	0	110.8	L529 Y532 E642 I648 V649 C650	L529-E646 VanDerWaalsContact CD2-OE2 3.28Å; L529-E646 WeakPolarHBondContact CD2-OE2 3.44Å; Y532-E646 HydrophobicContact CD2-CB 3.83Å; Y532-E646 HydrophobicContact CD2-CG 4.32Å; Y532-E646 HydrophobicContact CE2-CB 3.62Å; Y532-E646 HydrophobicContact CE2-CG 3.66Å; Y532-E646 HydrophobicContact CG-CB 4.35Å; E642-E646 WeakPolarHBondContact O-CB 3.4Å; E642-E646 PolarHBondContact O-N 3.19Å; E642-E646 VanDerWaalsContact O-N 3.09Å; E646-I648 PolarHBondContact O-N 3.23Å; E646-V649 PolarHBondContact O-N 3.16Å; E646-V649 VanDerWaalsContact O-N 3.17Å; E646-C650 WeakPolarHBondContact O-CB 3.4Å; E646-C650 PolarHBondContact O-N 3Å
647	L	74.3	Confident	77.3	Confident	51 Å²	51	45.6 Å²	45.6	27%	0.267	24%	0.237	S	C	.	.	H	α-helix	trans	-64	-23.5	178.7	-70.4	168.1	0	0	0	114	L395 K643 L645 G651 L652 L706	L395-L647 HydrophobicContact CD2-CB 4.39Å; L395-L647 HydrophobicContact CD2-CD1 4.08Å; K643-L647 WeakPolarHBondContact O-CD1 3.48Å; K643-L647 VanDerWaalsContact O-CG 3.28Å; K643-L647 WeakPolarHBondContact O-CG 3.39Å; K643-L647 PolarHBondContact O-N 2.7Å; K643-L647 VanDerWaalsContact O-N 3.12Å; L645-L647 VanDerWaalsContact C-N 3.28Å; L645-L647 PolarHBondContact O-N 2.81Å; L647-G651 VanDerWaalsContact O-CA 3.3Å; L647-G651 WeakPolarHBondContact O-CA 3.12Å; L647-G651 PolarHBondContact O-N 3.39Å; L647-L652 HydrophobicContact CD2-CD2 3.85Å; L647-L706 HydrophobicContact CB-CD1 4.41Å; L647-L706 HydrophobicContact CD1-CD1 3.99Å
648	I	82.4	Confident	77.4	Confident	13 Å²	13	48.7 Å²	48.7	7%	0.067	26%	0.263	C	S	.	.	H	α-helix	trans	-81.3	-36.2	175.8	-71.8	166.2	0	0	0	111.3	L395 L399 L402 V517 F640 E644 L645 E646	L395-I648 HydrophobicContact CD1-CD1 4.19Å; L399-I648 HydrophobicContact CD1-CD1 4.45Å; L399-I648 HydrophobicContact CD1-CG1 4.22Å; L402-I648 HydrophobicContact CD2-CD1 4.47Å; V517-I648 HydrophobicContact CG1-CG2 3.84Å; V517-I648 HydrophobicContact CG2-CG2 4.07Å; F640-I648 HydrophobicContact CD1-CD1 3.42Å; F640-I648 VanDerWaalsContact CD1-CD1 3.42Å; F640-I648 HydrophobicContact CE1-CD1 3.32Å; F640-I648 HydrophobicContact CG-CD1 4.26Å; F640-I648 HydrophobicContact CZ-CD1 4.09Å; E644-I648 WeakPolarHBondContact O-CD1 3.36Å; E644-I648 VanDerWaalsContact O-CG1 3.23Å; E644-I648 WeakPolarHBondContact O-CG1 3.19Å; E644-I648 PolarHBondContact O-N 2.81Å; L645-I648 WeakPolarHBondContact O-CB 3.41Å; L645-I648 PolarHBondContact O-N 3.13Å; E646-I648 PolarHBondContact O-N 3.23Å
649	V	84.7	Confident	77.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-81	-44.2	-179.9	177.1	0	0	0	0	111.6	M513 V517 Y522 I523 Y532 L645 E646	M513-V649 HydrophobicContact CE-CG1 4.11Å; V517-V649 HydrophobicContact CG2-CG2 3.8Å; Y522-V649 CarbonylContact C-O 3.56Å; Y522-V649 WeakPolarHBondContact CA-O 3.26Å; I523-V649 HydrophobicContact CB-CG1 4.33Å; I523-V649 HydrophobicContact CD1-CG1 4.45Å; I523-V649 PolarHBondContact N-O 3.28Å; Y532-V649 HydrophobicContact CE1-CB 4.36Å; Y532-V649 HydrophobicContact CE1-CG2 4.4Å; L645-V649 HydrophobicContact CD1-CG2 4.14Å; L645-V649 HydrophobicContact CG-CG2 4.43Å; L645-V649 WeakPolarHBondContact O-CG2 3.42Å; L645-V649 PolarHBondContact O-N 3.05Å; E646-V649 PolarHBondContact O-N 3.16Å; E646-V649 VanDerWaalsContact O-N 3.17Å
650	C	77.4	Confident	78.4	Confident	11 Å²	11	40.1 Å²	40.1	7%	0.074	22%	0.218	C	C	.	.	H	α-helix	trans	-105.2	-14.3	-169.9	-56.8	0	0	0	0	113.8	G525 Y532 E646 R703	G525-C650 PolarHBondContact O-SG 2.98Å; Y532-C650 PolarHBondContact OH-SG 2.93Å; E646-C650 WeakPolarHBondContact O-CB 3.4Å; E646-C650 PolarHBondContact O-N 3Å; C650-R703 WeakPolarHBondContact O-CB 3.14Å; C650-R703 VanDerWaalsContact O-CG 3.22Å; C650-R703 WeakPolarHBondContact O-CG 3.29Å
651	G	72.6	Confident	79	Confident	6 Å²	6	44.3 Å²	44.3	6%	0.062	24%	0.236	C	C	.	.			trans	69.5	-169.6	-173.4	0	0	0	0	0	113.3	L647	L647-G651 VanDerWaalsContact O-CA 3.3Å; L647-G651 WeakPolarHBondContact O-CA 3.12Å; L647-G651 PolarHBondContact O-N 3.39Å
652	L	63.1	Low	79.9	Confident	52 Å²	52	47.2 Å²	47.2	27%	0.272	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-78.8	122.5	172.5	-66.7	171.8	0	0	0	109.8	L647 V704 P705	L647-L652 HydrophobicContact CD2-CD2 3.85Å; L652-V704 HydrophobicContact CB-CB 4.19Å; L652-V704 WeakPolarHBondContact CB-O 3.19Å; L652-V704 HydrophobicContact CD1-CG1 4.44Å; L652-V704 PolarHBondContact N-O 2.96Å; L652-V704 PolarHBondContact O-N 3.12Å; L652-P705 WeakPolarHBondContact CD1-O 3.07Å
653	G	61.8	Low	80.7	Confident	42 Å²	42	46.8 Å²	46.8	43%	0.433	26%	0.257	S	S	.	.	S	Bend	trans	-77.5	-30.1	176.2	0	0	0	0	0	114.3
654	K	69.8	Low	81.9	Confident	152 Å²	152	42 Å²	42	66%	0.661	24%	0.238	S	C	*	.	S	Bend	trans	-94.3	126.9	178.2	-172.5	164.9	-169.1	166.9	0	111.3	E688	K654-E688 WeakPolarHBondContact CE-OE1 3.4Å
655	I	80.9	Confident	82.6	Confident	9 Å²	9	49.1 Å²	49.1	5%	0.046	27%	0.265	C	S	.	.			trans	-90.8	112.5	-180	-63	173.7	0	0	0	109.8	I657 W660 R691 A692 L695 V704 F709	I655-I657 PolarHBondContact O-N 3.32Å; I655-W660 HydrophobicContact CG2-CE3 3.51Å; I655-W660 HydrophobicContact CG2-CZ3 3.78Å; I655-R691 HydrophobicContact CD1-CB 3.84Å; I655-A692 HydrophobicContact CD1-CB 4.21Å; I655-L695 HydrophobicContact CD1-CB 4.46Å; I655-L695 HydrophobicContact CD1-CD2 4.12Å; I655-V704 HydrophobicContact CG1-CG2 3.93Å; I655-F709 HydrophobicContact CG2-CE2 4.07Å; I655-F709 HydrophobicContact CG2-CZ 3.94Å
656	D	84.5	Confident	83.1	Confident	94 Å²	94	51.3 Å²	51.3	50%	0.503	28%	0.276	S	S	.	.			trans	-78.9	112.5	169.7	-173.1	-23.3	0	0	0	110.1	A658 D659 W660	D656-A658 VanDerWaalsContact C-N 3.34Å; D656-A658 WeakPolarHBondContact OD1-CA 3.42Å; D656-A658 WeakPolarHBondContact OD1-CB 3.42Å; D656-A658 PolarHBondContact OD1-N 2.87Å; D656-D659 HydrophobicContact CB-CB 3.98Å; D656-D659 PolarHBondContact OD1-N 3.21Å; D656-D659 VanDerWaalsContact OD1-N 3.16Å; D656-W660 WeakPolarHBondContact O-CB 3.4Å; D656-W660 PolarHBondContact O-N 3.46Å
657	I	88.5	Confident	83.6	Confident	33 Å²	33	52.2 Å²	52.2	17%	0.169	28%	0.279	C	S	.	.	H	α-helix	trans	-69.5	-33.3	-179.5	-44.3	174.5	0	0	0	111.1	I655 W660 K661 W680 V683 E684 R691	I655-I657 PolarHBondContact O-N 3.32Å; I657-W660 PolarHBondContact O-N 3.12Å; I657-K661 WeakPolarHBondContact O-CB 3.37Å; I657-K661 PolarHBondContact O-N 2.86Å; I657-W680 HydrophobicContact CG2-CE3 4.27Å; I657-W680 HydrophobicContact CG2-CZ3 4.34Å; I657-V683 HydrophobicContact CG2-CG1 4.21Å; I657-E684 HydrophobicContact CD1-CG 4.39Å; I657-E684 HydrophobicContact CG2-CG 4.06Å; I657-R691 VanDerWaalsContact CD1-CZ 3.42Å
658	A	89.2	Confident	84.2	Confident	67 Å²	67	56.5 Å²	56.5	55%	0.554	30%	0.298	S	S	*	.	H	α-helix	trans	-68.9	-43.6	178.9	0	0	0	0	0	110.4	D656 K661 S662	D656-A658 VanDerWaalsContact C-N 3.34Å; D656-A658 WeakPolarHBondContact OD1-CA 3.42Å; D656-A658 WeakPolarHBondContact OD1-CB 3.42Å; D656-A658 PolarHBondContact OD1-N 2.87Å; A658-K661 PolarHBondContact O-N 3.16Å; A658-S662 WeakPolarHBondContact O-CB 3.41Å; A658-S662 PolarHBondContact O-N 3.05Å; A658-S662 PolarHBondContact O-OG 2.8Å; A658-S662 VanDerWaalsContact O-OG 3.05Å
659	D	89.7	Confident	84.6	Confident	40 Å²	40	56.6 Å²	56.6	21%	0.214	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-39.1	173.2	-172	61.9	0	0	0	112	D656 S662 N663 G708 F709	D656-D659 HydrophobicContact CB-CB 3.98Å; D656-D659 PolarHBondContact OD1-N 3.21Å; D656-D659 VanDerWaalsContact OD1-N 3.16Å; D659-S662 WeakPolarHBondContact CA-OG 3.23Å; D659-S662 PolarHBondContact O-OG 3.45Å; D659-N663 WeakPolarHBondContact O-CB 3.35Å; D659-N663 PolarHBondContact O-N 3.39Å; D659-N663 VanDerWaalsContact O-N 3.11Å; D659-N663 PolarHBondContact O-ND2 3.35Å; D659-N663 PolarHBondContact OD1-ND2 3.12Å; D659-G708 WeakPolarHBondContact OD2-CA 3.4Å; D659-F709 HydrophobicContact CB-CD2 4.45Å; D659-F709 WeakPolarHBondContact OD2-CD2 3.32Å; D659-F709 PolarHBondContact OD2-N 2.93Å
660	W	91.9	Very high	84.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.6	-48.4	173.8	-163.7	-8.2	0	0	0	111.5	I655 D656 I657 N663 T664 W680 V683 R691 L694 L695 F709 F721	I655-W660 HydrophobicContact CG2-CE3 3.51Å; I655-W660 HydrophobicContact CG2-CZ3 3.78Å; D656-W660 WeakPolarHBondContact O-CB 3.4Å; D656-W660 PolarHBondContact O-N 3.46Å; I657-W660 PolarHBondContact O-N 3.12Å; W660-N663 PolarHBondContact O-N 2.94Å; W660-T664 WeakPolarHBondContact O-CB 3.28Å; W660-T664 PolarHBondContact O-N 3.01Å; W660-T664 VanDerWaalsContact O-N 3.16Å; W660-T664 PolarHBondContact O-OG1 3.04Å; W660-W680 HydrophobicContact CB-CH2 4.1Å; W660-W680 HydrophobicContact CB-CZ3 4.19Å; W660-W680 AromaticContact CD1-CH2 3.61Å; W660-W680 HydrophobicContact CD2-CH2 4.18Å; W660-W680 HydrophobicContact CD2-CZ3 4.16Å; W660-W680 AromaticContact CG-CH2 3.68Å; W660-W680 HydrophobicContact CG-CH2 3.68Å; W660-W680 AromaticContact CG-CZ3 3.94Å; W660-W680 HydrophobicContact CG-CZ3 3.94Å; W660-V683 HydrophobicContact CE3-CG1 4.12Å; W660-V683 HydrophobicContact CZ3-CG1 4.02Å; W660-R691 HydrophobicContact CZ3-CB 4.43Å; W660-L694 HydrophobicContact CH2-CB 4.44Å; W660-L694 HydrophobicContact CH2-CD2 4.02Å; W660-L694 HydrophobicContact CH2-CG 4.03Å; W660-L694 HydrophobicContact CZ2-CD2 4.47Å; W660-L694 HydrophobicContact CZ2-CG 4.41Å; W660-L695 HydrophobicContact CH2-CB 4Å; W660-L695 HydrophobicContact CH2-CD1 4.2Å; W660-L695 HydrophobicContact CZ2-CB 4.41Å; W660-L695 HydrophobicContact CZ2-CD1 3.86Å; W660-F709 HydrophobicContact CB-CD1 4.04Å; W660-F709 HydrophobicContact CB-CD2 3.75Å; W660-F709 HydrophobicContact CB-CE1 3.89Å; W660-F709 HydrophobicContact CB-CE2 3.56Å; W660-F709 HydrophobicContact CB-CG 4Å; W660-F709 HydrophobicContact CB-CZ 3.65Å; W660-F709 AromaticContact CD1-CD1 3.35Å; W660-F709 AromaticContact CD1-CE1 3.24Å; W660-F709 AromaticContact CD1-CZ 3.88Å; W660-F709 HydrophobicContact CD2-CD1 4.28Å; W660-F709 AromaticContact CD2-CE1 3.42Å; W660-F709 HydrophobicContact CD2-CE1 3.42Å; W660-F709 VanDerWaalsContact CD2-CE1 3.42Å; W660-F709 HydrophobicContact CD2-CE2 4.23Å; W660-F709 AromaticContact CD2-CZ 3.39Å; W660-F709 HydrophobicContact CD2-CZ 3.39Å; W660-F709 AromaticContact CE2-CE1 3.53Å; W660-F709 AromaticContact CE2-CZ 3.94Å; W660-F709 HydrophobicContact CE3-CE1 4.18Å; W660-F709 HydrophobicContact CE3-CE2 4.49Å; W660-F709 AromaticContact CE3-CZ 3.71Å; W660-F709 HydrophobicContact CE3-CZ 3.71Å; W660-F709 AromaticContact CG-CD1 3.65Å; W660-F709 HydrophobicContact CG-CD1 3.65Å; W660-F709 HydrophobicContact CG-CD2 4.21Å; W660-F709 AromaticContact CG-CE1 3.25Å; W660-F709 HydrophobicContact CG-CE1 3.25Å; W660-F709 AromaticContact CG-CE2 3.86Å; W660-F709 HydrophobicContact CG-CE2 3.86Å; W660-F709 HydrophobicContact CG-CG 4.13Å; W660-F709 AromaticContact CG-CZ 3.37Å; W660-F709 HydrophobicContact CG-CZ 3.37Å; W660-F709 HydrophobicContact CZ2-CE1 4.32Å; W660-F709 HydrophobicContact CZ3-CZ 4.45Å; W660-F709 AromaticContact NE1-CD1 3.87Å; W660-F709 AromaticContact NE1-CE1 3.44Å; W660-F721 AromaticContact CD1-CG 4Å; W660-F721 AromaticContact CE2-CE2 3.84Å; W660-F721 HydrophobicContact CZ2-CD2 4.15Å; W660-F721 AromaticContact CZ2-CE2 3.56Å; W660-F721 HydrophobicContact CZ2-CE2 3.56Å; W660-F721 AromaticContact CZ2-CZ 3.83Å; W660-F721 HydrophobicContact CZ2-CZ 3.83Å; W660-F721 AromaticContact NE1-CD1 3.43Å; W660-F721 AromaticContact NE1-CD2 3.31Å; W660-F721 VanDerWaalsContact NE1-CD2 3.31Å; W660-F721 AromaticContact NE1-CE1 3.63Å; W660-F721 AromaticContact NE1-CE2 3.49Å; W660-F721 AromaticContact NE1-CG 3.28Å; W660-F721 VanDerWaalsContact NE1-CG 3.28Å; W660-F721 AromaticContact NE1-CZ 3.66Å
661	K	90.9	Very high	85.3	Confident	95 Å²	95	64.1 Å²	64.1	41%	0.413	35%	0.347	S	S	.	.	H	α-helix	trans	-66.8	-41.4	-177.5	-165.6	168.9	-167.8	173.3	0	111.9	I657 A658 W680 E684	I657-K661 WeakPolarHBondContact O-CB 3.37Å; I657-K661 PolarHBondContact O-N 2.86Å; A658-K661 PolarHBondContact O-N 3.16Å; K661-W680 HydrophobicContact CB-CD2 4.27Å; K661-W680 HydrophobicContact CB-CE3 4.21Å; K661-W680 HydrophobicContact CB-CH2 4.11Å; K661-W680 HydrophobicContact CB-CZ2 4.14Å; K661-W680 HydrophobicContact CB-CZ3 4.13Å; K661-W680 HydrophobicContact CD-CD2 4.01Å; K661-W680 HydrophobicContact CD-CE3 4.3Å; K661-W680 HydrophobicContact CD-CG 4.06Å; K661-W680 HydrophobicContact CG-CD2 3.84Å; K661-W680 HydrophobicContact CG-CE3 4.24Å; K661-W680 HydrophobicContact CG-CG 4.2Å; K661-W680 HydrophobicContact CG-CZ2 4.19Å; K661-E684 IonicContact NZ-OE1 3.42Å; K661-E684 PolarHBondContact NZ-OE1 3.41Å
662	S	92	Very high	86.1	Confident	88 Å²	88	69.3 Å²	69.3	62%	0.615	37%	0.373	S	S	*	.	H	α-helix	trans	-70.1	-29.1	177.7	61.1	0	0	0	0	113.8	A658 D659	A658-S662 WeakPolarHBondContact O-CB 3.41Å; A658-S662 PolarHBondContact O-N 3.05Å; A658-S662 PolarHBondContact O-OG 2.8Å; A658-S662 VanDerWaalsContact O-OG 3.05Å; D659-S662 WeakPolarHBondContact CA-OG 3.23Å; D659-S662 PolarHBondContact O-OG 3.45Å
663	N	91.5	Very high	87.5	Confident	32 Å²	32	68.1 Å²	68.1	17%	0.171	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	16.7	-179.4	-63.2	-75.8	0	0	0	113.5	D659 W660 F709 K710 L720	D659-N663 WeakPolarHBondContact O-CB 3.35Å; D659-N663 PolarHBondContact O-N 3.39Å; D659-N663 VanDerWaalsContact O-N 3.11Å; D659-N663 PolarHBondContact O-ND2 3.35Å; D659-N663 PolarHBondContact OD1-ND2 3.12Å; W660-N663 PolarHBondContact O-N 2.94Å; N663-F709 HydrophobicContact CB-CB 3.71Å; N663-K710 WeakPolarHBondContact OD1-CB 3.43Å; N663-L720 HydrophobicContact CB-CD2 4.4Å
664	T	93.2	Very high	88.8	Confident	22 Å²	22	70.9 Å²	70.9	14%	0.135	37%	0.374	C	S	.	.			trans	-91.2	125.9	175	-72.2	0	0	0	0	111.6	W660 L666 W680 F721 I723	W660-T664 WeakPolarHBondContact O-CB 3.28Å; W660-T664 PolarHBondContact O-N 3.01Å; W660-T664 VanDerWaalsContact O-N 3.16Å; W660-T664 PolarHBondContact O-OG1 3.04Å; T664-L666 HydrophobicContact CG2-CD2 4.07Å; T664-W680 HydrophobicContact CG2-CZ2 3.99Å; T664-W680 WeakPolarHBondContact OG1-CZ2 3.28Å; T664-F721 WeakPolarHBondContact CA-O 3.41Å; T664-F721 HydrophobicContact CG2-CD1 3.85Å; T664-F721 HydrophobicContact CG2-CE1 4.47Å; T664-F721 WeakPolarHBondContact OG1-CD1 3.38Å; T664-I723 HydrophobicContact CG2-CD1 3.84Å; T664-I723 HydrophobicContact CG2-CG1 3.85Å
665	R	92.3	Very high	89.8	Confident	161 Å²	161	64.1 Å²	64.1	61%	0.608	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	138.7	170	-174.9	177.5	-178	175.4	3.2	110.4	F721 T722 I723	R665-F721 PolarHBondContact N-O 2.96Å; R665-T722 HydrophobicContact CB-CG2 4.32Å; R665-T722 HydrophobicContact CG-CG2 4.41Å; R665-T722 CarbonylContact O-C 3.54Å; R665-T722 VanDerWaalsContact O-CA 3.25Å; R665-T722 WeakPolarHBondContact O-CA 3.2Å; R665-I723 PolarHBondContact O-N 3.18Å
666	L	93.6	Very high	90.4	Very high	47 Å²	47	63.9 Å²	63.9	25%	0.246	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.5	173	-56.8	-178.7	0	0	0	110.5	T664 T670 P671 V676 I723	T664-L666 HydrophobicContact CG2-CD2 4.07Å; L666-T670 VanDerWaalsContact CD1-C 3.48Å; L666-P671 HydrophobicContact CD1-CB 4.39Å; L666-P671 HydrophobicContact CD1-CG 3.8Å; L666-V676 HydrophobicContact CD1-CG1 4.22Å; L666-V676 HydrophobicContact CD1-CG2 4.39Å; L666-V676 HydrophobicContact CD2-CG1 4.09Å; L666-V676 HydrophobicContact CD2-CG2 4.04Å; L666-I723 CarbonylContact C-O 3.55Å; L666-I723 WeakPolarHBondContact CA-O 3.46Å; L666-I723 HydrophobicContact CD2-CB 3.89Å; L666-I723 HydrophobicContact CD2-CD1 4.1Å; L666-I723 HydrophobicContact CD2-CG1 4.4Å
667	K	90.6	Very high	90.8	Very high	81 Å²	81	64 Å²	64	35%	0.352	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	125.2	176.8	-174.4	178.4	178.3	-94	0	110.4	C669 T722 I723 H724 Q725	K667-C669 PolarHBondContact O-N 3.02Å; K667-C669 VanDerWaalsContact O-N 3.15Å; K667-T722 HydrophobicContact CB-CG2 4.39Å; K667-I723 PolarHBondContact N-O 2.85Å; K667-H724 HydrophobicContact CB-CB 4.31Å; K667-H724 PolarHBondContact NZ-NE2 2.81Å; K667-H724 WeakPolarHBondContact O-CA 3.27Å; K667-Q725 PolarHBondContact O-N 2.98Å
668	H	88.3	Confident	91.1	Very high	141 Å²	141	65 Å²	65	65%	0.653	34%	0.342	S	S	*	.	S	Bend	trans	55.2	18.3	-171.7	-53.4	-61	0	0	0	115	H724	H668-H724 AromaticContact CD2-CD2 3.67Å; H668-H724 AromaticContact CD2-NE2 3.39Å; H668-H724 PolarHBondContact CD2-NE2 3.26Å
669	C	89.3	Confident	91.3	Very high	16 Å²	16	61.8 Å²	61.8	11%	0.108	32%	0.315	C	S	.	.			trans	-141.3	162.3	171	55.4	0	0	0	0	109.6	K667 V676 Q725	K667-C669 PolarHBondContact O-N 3.02Å; K667-C669 VanDerWaalsContact O-N 3.15Å; C669-V676 HydrophobicContact CB-CG2 3.92Å; C669-Q725 HydrophobicContact CB-CB 3.89Å
670	T	90.2	Very high	91.6	Very high	76 Å²	76	60.4 Å²	60.4	47%	0.466	31%	0.307	S	S	.	.			trans	-117.7	166.2	176.1	65.2	0	0	0	0	109.8	L666 D672 S673 V676	L666-T670 VanDerWaalsContact CD1-C 3.48Å; T670-D672 PolarHBondContact O-N 2.87Å; T670-D672 VanDerWaalsContact O-N 3.08Å; T670-D672 PolarHBondContact OG1-N 2.79Å; T670-S673 PolarHBondContact N-OG 2.84Å; T670-S673 WeakPolarHBondContact O-CB 3.35Å; T670-S673 PolarHBondContact O-N 2.89Å; T670-S673 PolarHBondContact O-OG 2.94Å; T670-S673 PolarHBondContact OG1-N 2.91Å; T670-S673 PolarHBondContact OG1-OG 3.49Å; T670-V676 WeakPolarHBondContact O-CG2 3.3Å
671	P	88.1	Confident	91.6	Very high	93 Å²	93	65.6 Å²	65.6	60%	0.604	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.9	173.2	-24	35.3	0	0	0	112.8	L666	L666-P671 HydrophobicContact CD1-CB 4.39Å; L666-P671 HydrophobicContact CD1-CG 3.8Å
672	D	89.1	Confident	91.7	Very high	114 Å²	114	61.1 Å²	61.1	61%	0.61	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-17.2	178.3	-81.4	-60.2	0	0	0	115.5	T670 N674 K677	T670-D672 PolarHBondContact O-N 2.87Å; T670-D672 VanDerWaalsContact O-N 3.08Å; T670-D672 PolarHBondContact OG1-N 2.79Å; D672-N674 PolarHBondContact O-N 2.82Å; D672-K677 VanDerWaalsContact CA-NZ 3.31Å; D672-K677 WeakPolarHBondContact O-CE 3.42Å; D672-K677 PolarHBondContact O-NZ 2.64Å; D672-K677 IonicContact OD1-NZ 3.59Å; D672-K677 PolarHBondContact OD1-NZ 2.97Å
673	S	91.6	Very high	91.7	Very high	27 Å²	27	56.9 Å²	56.9	19%	0.189	28%	0.281	C	S	.	.	S	Bend	trans	-58.9	133.1	178.7	-59.3	0	0	0	0	111.2	T670 I675 V676 K677	T670-S673 PolarHBondContact N-OG 2.84Å; T670-S673 WeakPolarHBondContact O-CB 3.35Å; T670-S673 PolarHBondContact O-N 2.89Å; T670-S673 PolarHBondContact O-OG 2.94Å; T670-S673 PolarHBondContact OG1-N 2.91Å; T670-S673 PolarHBondContact OG1-OG 3.49Å; S673-I675 PolarHBondContact O-N 2.97Å; S673-V676 PolarHBondContact O-N 3.09Å; S673-K677 PolarHBondContact O-N 3.27Å; S673-K677 VanDerWaalsContact O-N 3.09Å
674	N	90.4	Very high	91.7	Very high	101 Å²	101	59.7 Å²	59.7	54%	0.54	29%	0.293	S	S	.	.	H	α-helix	trans	-51.4	-42.5	179.1	-74.5	-9.7	0	0	0	112.3	D672 V676 K677 W678	D672-N674 PolarHBondContact O-N 2.82Å; N674-V676 VanDerWaalsContact C-N 3.32Å; N674-V676 PolarHBondContact O-N 2.66Å; N674-K677 PolarHBondContact O-N 3.13Å; N674-W678 HydrophobicContact CB-CD2 4.14Å; N674-W678 HydrophobicContact CB-CE3 4.24Å; N674-W678 HydrophobicContact CB-CH2 3.89Å; N674-W678 HydrophobicContact CB-CZ2 3.76Å; N674-W678 HydrophobicContact CB-CZ3 4.11Å; N674-W678 VanDerWaalsContact O-CB 3.25Å; N674-W678 WeakPolarHBondContact O-CB 3.49Å; N674-W678 PolarHBondContact O-N 2.8Å
675	I	90.6	Very high	91.5	Very high	9 Å²	9	62 Å²	62	5%	0.046	31%	0.31	C	S	.	.	H	α-helix	trans	-56.7	-42.6	177	-58.9	173.8	0	0	0	112.1	S673 F679 Q725 I745 P747 L754	S673-I675 PolarHBondContact O-N 2.97Å; I675-F679 WeakPolarHBondContact O-CB 3.46Å; I675-F679 PolarHBondContact O-N 2.97Å; I675-Q725 HydrophobicContact CD1-CG 3.74Å; I675-I745 HydrophobicContact CG2-CB 4.15Å; I675-I745 HydrophobicContact CG2-CD1 4.34Å; I675-I745 HydrophobicContact CG2-CG2 3.71Å; I675-P747 HydrophobicContact CD1-CB 4.44Å; I675-L754 HydrophobicContact CB-CD1 4.49Å; I675-L754 HydrophobicContact CG2-CD1 3.94Å
676	V	92.4	Very high	91.1	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.03	28%	0.282	C	S	.	.	H	α-helix	trans	-71.5	-41.8	-179.7	178.4	0	0	0	0	110.4	L666 C669 T670 S673 N674 F679 W680	L666-V676 HydrophobicContact CD1-CG1 4.22Å; L666-V676 HydrophobicContact CD1-CG2 4.39Å; L666-V676 HydrophobicContact CD2-CG1 4.09Å; L666-V676 HydrophobicContact CD2-CG2 4.04Å; C669-V676 HydrophobicContact CB-CG2 3.92Å; T670-V676 WeakPolarHBondContact O-CG2 3.3Å; S673-V676 PolarHBondContact O-N 3.09Å; N674-V676 VanDerWaalsContact C-N 3.32Å; N674-V676 PolarHBondContact O-N 2.66Å; V676-F679 PolarHBondContact O-N 3.02Å; V676-W680 PolarHBondContact O-N 2.89Å; V676-W680 VanDerWaalsContact O-N 3.09Å
677	K	93.1	Very high	90.2	Very high	97 Å²	97	55.9 Å²	55.9	42%	0.422	29%	0.289	S	S	.	.	H	α-helix	trans	-61.8	-43.6	174.5	-72.5	170.5	173.7	156.7	0	111.9	D672 S673 N674 K681	D672-K677 VanDerWaalsContact CA-NZ 3.31Å; D672-K677 WeakPolarHBondContact O-CE 3.42Å; D672-K677 PolarHBondContact O-NZ 2.64Å; D672-K677 IonicContact OD1-NZ 3.59Å; D672-K677 PolarHBondContact OD1-NZ 2.97Å; S673-K677 PolarHBondContact O-N 3.27Å; S673-K677 VanDerWaalsContact O-N 3.09Å; N674-K677 PolarHBondContact O-N 3.13Å; K677-K681 WeakPolarHBondContact O-CB 3.43Å; K677-K681 PolarHBondContact O-N 3.07Å
678	W	94.9	Very high	89.3	Confident	52 Å²	52	56.6 Å²	56.6	20%	0.197	29%	0.294	C	S	.	.	H	α-helix	trans	-69.8	-41.1	178.2	-66.7	-16.1	0	0	0	112.7	N674 K681 A682 Y748 Y751 L754	N674-W678 HydrophobicContact CB-CD2 4.14Å; N674-W678 HydrophobicContact CB-CE3 4.24Å; N674-W678 HydrophobicContact CB-CH2 3.89Å; N674-W678 HydrophobicContact CB-CZ2 3.76Å; N674-W678 HydrophobicContact CB-CZ3 4.11Å; N674-W678 VanDerWaalsContact O-CB 3.25Å; N674-W678 WeakPolarHBondContact O-CB 3.49Å; N674-W678 PolarHBondContact O-N 2.8Å; W678-K681 PolarHBondContact O-N 3.14Å; W678-A682 PolarHBondContact O-N 2.92Å; W678-Y748 WeakPolarHBondContact CZ3-O 3.35Å; W678-Y751 HydrophobicContact CB-CD2 3.78Å; W678-Y751 AromaticContact CD1-CD2 3.87Å; W678-Y751 AromaticContact CG-CD2 3.87Å; W678-Y751 HydrophobicContact CG-CD2 3.87Å; W678-Y751 HydrophobicContact CG-CG 4.49Å; W678-L754 HydrophobicContact CB-CD1 3.9Å; W678-L754 HydrophobicContact CB-CD2 4.32Å; W678-L754 HydrophobicContact CE3-CD1 4.24Å
679	F	94.4	Very high	88.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-52.5	173.5	178.4	-91.5	0	0	0	111	I675 V676 K681 A682 V683 L694 F721 I723 I743 I745 L758	I675-F679 WeakPolarHBondContact O-CB 3.46Å; I675-F679 PolarHBondContact O-N 2.97Å; V676-F679 PolarHBondContact O-N 3.02Å; F679-K681 PolarHBondContact O-N 3.18Å; F679-A682 WeakPolarHBondContact O-CB 3.09Å; F679-A682 PolarHBondContact O-N 3.13Å; F679-A682 VanDerWaalsContact O-N 3.14Å; F679-V683 HydrophobicContact CD1-CG2 4.17Å; F679-V683 HydrophobicContact CE1-CG2 3.78Å; F679-V683 HydrophobicContact CE2-CG2 4.47Å; F679-V683 HydrophobicContact CZ-CG2 3.96Å; F679-V683 WeakPolarHBondContact O-CG2 3.43Å; F679-V683 PolarHBondContact O-N 2.94Å; F679-L694 HydrophobicContact CE2-CD1 4.37Å; F679-L694 HydrophobicContact CE2-CD2 4.16Å; F679-L694 HydrophobicContact CZ-CD2 3.92Å; F679-F721 HydrophobicContact CE1-CE1 4.25Å; F679-F721 HydrophobicContact CZ-CE1 4.08Å; F679-F721 AromaticContact CZ-CZ 3.96Å; F679-F721 HydrophobicContact CZ-CZ 3.96Å; F679-I723 HydrophobicContact CD1-CD1 3.48Å; F679-I723 VanDerWaalsContact CD1-CD1 3.48Å; F679-I723 HydrophobicContact CD1-CG1 4.45Å; F679-I723 HydrophobicContact CE1-CD1 3.67Å; F679-I723 HydrophobicContact CE1-CG1 4.32Å; F679-I723 HydrophobicContact CG-CD1 4.09Å; F679-I723 HydrophobicContact CZ-CD1 4.42Å; F679-I743 HydrophobicContact CE2-CD1 4.31Å; F679-I745 HydrophobicContact CD2-CD1 3.73Å; F679-I745 HydrophobicContact CE2-CD1 4.25Å; F679-I745 HydrophobicContact CG-CD1 4.39Å; F679-L758 HydrophobicContact CD2-CD2 4.02Å; F679-L758 HydrophobicContact CE2-CD1 4.4Å; F679-L758 HydrophobicContact CE2-CD2 4.18Å
680	W	94.8	Very high	87.5	Confident	12 Å²	12	58 Å²	58	5%	0.045	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-37.3	178.8	-70.7	115.5	0	0	0	113	I657 W660 K661 T664 V676 A682 V683 E684 I723	I657-W680 HydrophobicContact CG2-CE3 4.27Å; I657-W680 HydrophobicContact CG2-CZ3 4.34Å; W660-W680 HydrophobicContact CB-CH2 4.1Å; W660-W680 HydrophobicContact CB-CZ3 4.19Å; W660-W680 AromaticContact CD1-CH2 3.61Å; W660-W680 HydrophobicContact CD2-CH2 4.18Å; W660-W680 HydrophobicContact CD2-CZ3 4.16Å; W660-W680 AromaticContact CG-CH2 3.68Å; W660-W680 HydrophobicContact CG-CH2 3.68Å; W660-W680 AromaticContact CG-CZ3 3.94Å; W660-W680 HydrophobicContact CG-CZ3 3.94Å; K661-W680 HydrophobicContact CB-CD2 4.27Å; K661-W680 HydrophobicContact CB-CE3 4.21Å; K661-W680 HydrophobicContact CB-CH2 4.11Å; K661-W680 HydrophobicContact CB-CZ2 4.14Å; K661-W680 HydrophobicContact CB-CZ3 4.13Å; K661-W680 HydrophobicContact CD-CD2 4.01Å; K661-W680 HydrophobicContact CD-CE3 4.3Å; K661-W680 HydrophobicContact CD-CG 4.06Å; K661-W680 HydrophobicContact CG-CD2 3.84Å; K661-W680 HydrophobicContact CG-CE3 4.24Å; K661-W680 HydrophobicContact CG-CG 4.2Å; K661-W680 HydrophobicContact CG-CZ2 4.19Å; T664-W680 HydrophobicContact CG2-CZ2 3.99Å; T664-W680 WeakPolarHBondContact OG1-CZ2 3.28Å; V676-W680 PolarHBondContact O-N 2.89Å; V676-W680 VanDerWaalsContact O-N 3.09Å; W680-A682 VanDerWaalsContact C-N 3.28Å; W680-A682 PolarHBondContact O-N 2.87Å; W680-V683 HydrophobicContact CE3-CB 4.18Å; W680-V683 HydrophobicContact CE3-CG1 4.28Å; W680-V683 HydrophobicContact CE3-CG2 4.47Å; W680-V683 HydrophobicContact CZ3-CG1 4.2Å; W680-V683 PolarHBondContact O-N 3.43Å; W680-E684 VanDerWaalsContact O-CB 3.29Å; W680-E684 WeakPolarHBondContact O-CB 3.33Å; W680-E684 WeakPolarHBondContact O-CG 3.28Å; W680-E684 PolarHBondContact O-N 2.87Å; W680-I723 HydrophobicContact CZ2-CD1 4.16Å
681	K	93.2	Very high	87.2	Confident	109 Å²	109	56.2 Å²	56.2	47%	0.474	28%	0.281	S	S	.	.	H	α-helix	trans	-59.1	-38.8	172.4	-178.3	-176.1	169.3	-152.3	0	112	K677 W678 F679 S685 Y751	K677-K681 WeakPolarHBondContact O-CB 3.43Å; K677-K681 PolarHBondContact O-N 3.07Å; W678-K681 PolarHBondContact O-N 3.14Å; F679-K681 PolarHBondContact O-N 3.18Å; K681-S685 PolarHBondContact O-N 2.73Å; K681-S685 VanDerWaalsContact O-N 3.15Å; K681-S685 PolarHBondContact O-OG 3.27Å; K681-Y751 HydrophobicContact CB-CE2 3.89Å; K681-Y751 HydrophobicContact CD-CD2 3.85Å; K681-Y751 HydrophobicContact CD-CE2 3.52Å; K681-Y751 HydrophobicContact CG-CD2 4.47Å; K681-Y751 HydrophobicContact CG-CE2 3.7Å
682	A	91.8	Very high	86.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-48.9	174.6	0	0	0	0	0	111.6	W678 F679 W680 E684 S685 F686 Y751 Y755 L758	W678-A682 PolarHBondContact O-N 2.92Å; F679-A682 WeakPolarHBondContact O-CB 3.09Å; F679-A682 PolarHBondContact O-N 3.13Å; F679-A682 VanDerWaalsContact O-N 3.14Å; W680-A682 VanDerWaalsContact C-N 3.28Å; W680-A682 PolarHBondContact O-N 2.87Å; A682-E684 VanDerWaalsContact C-N 3.3Å; A682-E684 PolarHBondContact O-N 2.94Å; A682-S685 CarbonylContact O-C 3.53Å; A682-S685 PolarHBondContact O-N 2.85Å; A682-S685 PolarHBondContact O-OG 2.85Å; A682-F686 HydrophobicContact CB-CZ 4.38Å; A682-F686 WeakPolarHBondContact O-CD1 3.28Å; A682-F686 WeakPolarHBondContact O-CG 3.38Å; A682-F686 PolarHBondContact O-N 3.04Å; A682-Y751 HydrophobicContact CB-CE2 4.47Å; A682-Y755 HydrophobicContact CB-CD2 3.85Å; A682-Y755 HydrophobicContact CB-CE2 4.39Å; A682-L758 HydrophobicContact CB-CD2 4.27Å
683	V	91.5	Very high	85.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-37.6	177.5	178.5	0	0	0	0	112.6	I657 W660 F679 W680 S685 F686 R691 L694	I657-V683 HydrophobicContact CG2-CG1 4.21Å; W660-V683 HydrophobicContact CE3-CG1 4.12Å; W660-V683 HydrophobicContact CZ3-CG1 4.02Å; F679-V683 HydrophobicContact CD1-CG2 4.17Å; F679-V683 HydrophobicContact CE1-CG2 3.78Å; F679-V683 HydrophobicContact CE2-CG2 4.47Å; F679-V683 HydrophobicContact CZ-CG2 3.96Å; F679-V683 WeakPolarHBondContact O-CG2 3.43Å; F679-V683 PolarHBondContact O-N 2.94Å; W680-V683 HydrophobicContact CE3-CB 4.18Å; W680-V683 HydrophobicContact CE3-CG1 4.28Å; W680-V683 HydrophobicContact CE3-CG2 4.47Å; W680-V683 HydrophobicContact CZ3-CG1 4.2Å; W680-V683 PolarHBondContact O-N 3.43Å; V683-S685 VanDerWaalsContact C-N 3.34Å; V683-F686 PolarHBondContact O-N 2.98Å; V683-R691 HydrophobicContact CG1-CG 4.37Å; V683-R691 PolarHBondContact O-NE 3.14Å; V683-L694 HydrophobicContact CG2-CD2 3.48Å; V683-L694 VanDerWaalsContact CG2-CD2 3.48Å
684	E	92.2	Very high	84.7	Confident	90 Å²	90	50.4 Å²	50.4	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-65.8	-36.1	174.7	-73.6	162.9	-159.6	0	0	111.4	I657 K661 W680 A682 R691	I657-E684 HydrophobicContact CD1-CG 4.39Å; I657-E684 HydrophobicContact CG2-CG 4.06Å; K661-E684 IonicContact NZ-OE1 3.42Å; K661-E684 PolarHBondContact NZ-OE1 3.41Å; W680-E684 VanDerWaalsContact O-CB 3.29Å; W680-E684 WeakPolarHBondContact O-CB 3.33Å; W680-E684 WeakPolarHBondContact O-CG 3.28Å; W680-E684 PolarHBondContact O-N 2.87Å; A682-E684 VanDerWaalsContact C-N 3.3Å; A682-E684 PolarHBondContact O-N 2.94Å; E684-R691 PolarHBondContact O-NH2 3.34Å
685	S	89.2	Confident	84.2	Confident	71 Å²	71	45.6 Å²	45.6	50%	0.497	21%	0.213	S	C	.	.	H	α-helix	trans	-79.8	-18.6	176.4	70.7	0	0	0	0	115.7	K681 A682 V683	K681-S685 PolarHBondContact O-N 2.73Å; K681-S685 VanDerWaalsContact O-N 3.15Å; K681-S685 PolarHBondContact O-OG 3.27Å; A682-S685 CarbonylContact O-C 3.53Å; A682-S685 PolarHBondContact O-N 2.85Å; A682-S685 PolarHBondContact O-OG 2.85Å; V683-S685 VanDerWaalsContact C-N 3.34Å
686	F	84.1	Confident	83.1	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.018	22%	0.217	C	C	.	.	S	Bend	trans	-69.1	151	176.8	-72.1	-11.6	0	0	0	112.5	A682 V683 R690 R691 L694 Y755 L758 L759 I762	A682-F686 HydrophobicContact CB-CZ 4.38Å; A682-F686 WeakPolarHBondContact O-CD1 3.28Å; A682-F686 WeakPolarHBondContact O-CG 3.38Å; A682-F686 PolarHBondContact O-N 3.04Å; V683-F686 PolarHBondContact O-N 2.98Å; F686-R690 HydrophobicContact CB-CB 3.81Å; F686-R690 HydrophobicContact CD1-CB 4.32Å; F686-R690 HydrophobicContact CD2-CB 4.07Å; F686-R690 HydrophobicContact CG-CB 3.84Å; F686-R691 HydrophobicContact CB-CG 3.86Å; F686-R691 PolarHBondContact O-NE 3.11Å; F686-R691 PolarHBondContact O-NH2 3.04Å; F686-L694 HydrophobicContact CE2-CD2 4.26Å; F686-Y755 HydrophobicContact CD1-CE2 4.18Å; F686-Y755 HydrophobicContact CE1-CD2 4.29Å; F686-Y755 AromaticContact CE1-CE2 3.55Å; F686-Y755 HydrophobicContact CE1-CE2 3.55Å; F686-Y755 AromaticContact CE1-CZ 3.91Å; F686-Y755 HydrophobicContact CZ-CE2 4.46Å; F686-L758 HydrophobicContact CE2-CD2 4.35Å; F686-L758 HydrophobicContact CZ-CD2 4.32Å; F686-L759 HydrophobicContact CE1-CD1 4.35Å; F686-L759 HydrophobicContact CZ-CD1 4.47Å; F686-I762 HydrophobicContact CE2-CD1 3.86Å; F686-I762 HydrophobicContact CZ-CD1 4.21Å
687	D	75.3	Confident	82.3	Confident	76 Å²	76	47.2 Å²	47.2	41%	0.406	22%	0.22	S	C	.	.			trans	-76.9	175.2	167	49.4	36.4	0	0	0	111.4	E689 R690 R691	D687-E689 VanDerWaalsContact C-N 3.26Å; D687-E689 PolarHBondContact O-N 2.76Å; D687-R690 PolarHBondContact O-N 2.81Å; D687-R690 WeakPolarHBondContact OD1-CB 3.43Å; D687-R690 VanDerWaalsContact OD1-CG 3.25Å; D687-R690 WeakPolarHBondContact OD1-CG 3.11Å; D687-R690 PolarHBondContact OD1-N 3.04Å; D687-R691 WeakPolarHBondContact O-CB 3.17Å; D687-R691 WeakPolarHBondContact O-CG 3.45Å; D687-R691 PolarHBondContact O-N 3.16Å
688	E	71.7	Confident	81.5	Confident	95 Å²	95	42.6 Å²	42.6	44%	0.444	20%	0.199	S	C	.	.	H	α-helix	trans	-63.6	-32.5	-178.7	-64	-167.7	160.8	0	0	112.2	K654 A692	K654-E688 WeakPolarHBondContact CE-OE1 3.4Å; E688-A692 WeakPolarHBondContact O-CB 3.41Å; E688-A692 PolarHBondContact O-N 3.29Å
689	E	65.8	Low	80.3	Confident	114 Å²	114	40.2 Å²	40.2	53%	0.533	19%	0.191	S	C	.	.	H	α-helix	trans	-65.5	-51.3	176.2	-173.9	179.3	172.1	0	0	112	D687 R691 A692 R693	D687-E689 VanDerWaalsContact C-N 3.26Å; D687-E689 PolarHBondContact O-N 2.76Å; E689-R691 VanDerWaalsContact C-N 3.33Å; E689-R691 PolarHBondContact O-N 2.65Å; E689-A692 WeakPolarHBondContact O-CB 3.48Å; E689-A692 PolarHBondContact O-N 2.9Å; E689-A692 VanDerWaalsContact O-N 3.16Å; E689-R693 WeakPolarHBondContact O-CG 3.35Å; E689-R693 PolarHBondContact O-N 2.82Å; E689-R693 IonicContact OE1-CZ 3.69Å; E689-R693 VanDerWaalsContact OE1-CZ 3.26Å; E689-R693 IonicContact OE1-NE 3.33Å; E689-R693 IonicContact OE1-NH2 2.91Å; E689-R693 PolarHBondContact OE1-NH2 3.02Å
690	R	73.5	Confident	78.6	Confident	73 Å²	73	40.2 Å²	40.2	28%	0.275	19%	0.191	S	C	.	.	H	α-helix	trans	-66	-34.1	177.8	-74.6	169.6	158.8	169.3	-6.6	112.6	F686 D687 L694 E763	F686-R690 HydrophobicContact CB-CB 3.81Å; F686-R690 HydrophobicContact CD1-CB 4.32Å; F686-R690 HydrophobicContact CD2-CB 4.07Å; F686-R690 HydrophobicContact CG-CB 3.84Å; D687-R690 PolarHBondContact O-N 2.81Å; D687-R690 WeakPolarHBondContact OD1-CB 3.43Å; D687-R690 VanDerWaalsContact OD1-CG 3.25Å; D687-R690 WeakPolarHBondContact OD1-CG 3.11Å; D687-R690 PolarHBondContact OD1-N 3.04Å; R690-L694 WeakPolarHBondContact O-CB 3.21Å; R690-L694 PolarHBondContact O-N 3.38Å; R690-E763 IonicContact CZ-OE1 3.45Å; R690-E763 IonicContact NE-OE1 3.23Å; R690-E763 IonicContact NH2-OE1 2.81Å; R690-E763 PolarHBondContact NH2-OE1 3.05Å
691	R	82.7	Confident	77.1	Confident	38 Å²	38	40.3 Å²	40.3	14%	0.143	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-42.4	171.1	-70.8	170	-173.5	153.4	6.8	111.4	I655 I657 W660 V683 E684 F686 D687 E689 L694 L695	I655-R691 HydrophobicContact CD1-CB 3.84Å; I657-R691 VanDerWaalsContact CD1-CZ 3.42Å; W660-R691 HydrophobicContact CZ3-CB 4.43Å; V683-R691 HydrophobicContact CG1-CG 4.37Å; V683-R691 PolarHBondContact O-NE 3.14Å; E684-R691 PolarHBondContact O-NH2 3.34Å; F686-R691 HydrophobicContact CB-CG 3.86Å; F686-R691 PolarHBondContact O-NE 3.11Å; F686-R691 PolarHBondContact O-NH2 3.04Å; D687-R691 WeakPolarHBondContact O-CB 3.17Å; D687-R691 WeakPolarHBondContact O-CG 3.45Å; D687-R691 PolarHBondContact O-N 3.16Å; E689-R691 VanDerWaalsContact C-N 3.33Å; E689-R691 PolarHBondContact O-N 2.65Å; R691-L694 PolarHBondContact O-N 3.14Å; R691-L695 WeakPolarHBondContact O-CB 3.21Å; R691-L695 PolarHBondContact O-N 3.08Å
692	A	69.3	Low	75.5	Confident	21 Å²	21	35.4 Å²	35.4	17%	0.174	17%	0.173	C	C	.	.	H	α-helix	trans	-65.7	-43.5	176.5	0	0	0	0	0	112	I655 E688 E689 L695 Q696	I655-A692 HydrophobicContact CD1-CB 4.21Å; E688-A692 WeakPolarHBondContact O-CB 3.41Å; E688-A692 PolarHBondContact O-N 3.29Å; E689-A692 WeakPolarHBondContact O-CB 3.48Å; E689-A692 PolarHBondContact O-N 2.9Å; E689-A692 VanDerWaalsContact O-N 3.16Å; A692-L695 WeakPolarHBondContact O-CB 3.06Å; A692-L695 PolarHBondContact O-N 3.34Å; A692-Q696 WeakPolarHBondContact O-CB 3.12Å; A692-Q696 PolarHBondContact O-N 2.84Å
693	R	67.3	Low	74.4	Confident	91 Å²	91	38.3 Å²	38.3	34%	0.343	18%	0.184	S	C	.	.	H	α-helix	trans	-64.2	-40	174.8	-66.5	-176.5	-175.2	174.2	0.3	112.6	E689 Q696 F697 I762	E689-R693 WeakPolarHBondContact O-CG 3.35Å; E689-R693 PolarHBondContact O-N 2.82Å; E689-R693 IonicContact OE1-CZ 3.69Å; E689-R693 VanDerWaalsContact OE1-CZ 3.26Å; E689-R693 IonicContact OE1-NE 3.33Å; E689-R693 IonicContact OE1-NH2 2.91Å; E689-R693 PolarHBondContact OE1-NH2 3.02Å; R693-Q696 PolarHBondContact O-N 2.8Å; R693-F697 WeakPolarHBondContact O-CB 3.47Å; R693-F697 PolarHBondContact O-N 3.18Å; R693-I762 HydrophobicContact CB-CG2 3.33Å; R693-I762 HydrophobicContact CG-CG2 4.49Å
694	L	80	Confident	73.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.8	-43	172.2	172.7	59.6	0	0	0	111.8	W660 F679 V683 F686 R690 R691 Q696 F697 V698 I743 L758 I762	W660-L694 HydrophobicContact CH2-CB 4.44Å; W660-L694 HydrophobicContact CH2-CD2 4.02Å; W660-L694 HydrophobicContact CH2-CG 4.03Å; W660-L694 HydrophobicContact CZ2-CD2 4.47Å; W660-L694 HydrophobicContact CZ2-CG 4.41Å; F679-L694 HydrophobicContact CE2-CD1 4.37Å; F679-L694 HydrophobicContact CE2-CD2 4.16Å; F679-L694 HydrophobicContact CZ-CD2 3.92Å; V683-L694 HydrophobicContact CG2-CD2 3.48Å; V683-L694 VanDerWaalsContact CG2-CD2 3.48Å; F686-L694 HydrophobicContact CE2-CD2 4.26Å; R690-L694 WeakPolarHBondContact O-CB 3.21Å; R690-L694 PolarHBondContact O-N 3.38Å; R691-L694 PolarHBondContact O-N 3.14Å; L694-Q696 VanDerWaalsContact C-N 3.28Å; L694-Q696 PolarHBondContact O-N 3.17Å; L694-F697 HydrophobicContact CD1-CD1 4.5Å; L694-F697 PolarHBondContact O-N 3.45Å; L694-V698 HydrophobicContact CD1-CG2 3.92Å; L694-V698 WeakPolarHBondContact O-CG2 3.42Å; L694-V698 PolarHBondContact O-N 2.98Å; L694-V698 VanDerWaalsContact O-N 3.12Å; L694-I743 HydrophobicContact CD1-CD1 4.42Å; L694-L758 HydrophobicContact CD1-CD1 4.05Å; L694-I762 HydrophobicContact CB-CD1 3.82Å; L694-I762 HydrophobicContact CB-CG1 4.28Å; L694-I762 HydrophobicContact CD1-CD1 3.98Å; L694-I762 HydrophobicContact CD1-CG1 4.22Å; L694-I762 HydrophobicContact CG-CD1 4.35Å
695	L	80.8	Confident	72.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-41.6	176.4	-173.1	63.6	0	0	0	110.8	I655 W660 R691 A692 V698 T699 S701 V704 F709	I655-L695 HydrophobicContact CD1-CB 4.46Å; I655-L695 HydrophobicContact CD1-CD2 4.12Å; W660-L695 HydrophobicContact CH2-CB 4Å; W660-L695 HydrophobicContact CH2-CD1 4.2Å; W660-L695 HydrophobicContact CZ2-CB 4.41Å; W660-L695 HydrophobicContact CZ2-CD1 3.86Å; R691-L695 WeakPolarHBondContact O-CB 3.21Å; R691-L695 PolarHBondContact O-N 3.08Å; A692-L695 WeakPolarHBondContact O-CB 3.06Å; A692-L695 PolarHBondContact O-N 3.34Å; L695-V698 PolarHBondContact O-N 3.17Å; L695-T699 HydrophobicContact CD1-CG2 3.86Å; L695-T699 WeakPolarHBondContact O-CB 3.49Å; L695-T699 WeakPolarHBondContact O-CG2 3.44Å; L695-T699 PolarHBondContact O-N 2.96Å; L695-T699 PolarHBondContact O-OG1 2.92Å; L695-S701 CarbonylContact C-O 3.57Å; L695-S701 VanDerWaalsContact C-O 3.26Å; L695-S701 WeakPolarHBondContact CG-O 3.09Å; L695-V704 HydrophobicContact CD2-CG2 3.56Å; L695-F709 HydrophobicContact CD1-CE1 3.55Å; L695-F709 HydrophobicContact CD1-CZ 4.04Å; L695-F709 HydrophobicContact CD2-CZ 4.37Å
696	Q	67.4	Low	71.2	Confident	30 Å²	30	33.1 Å²	33.1	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-64.6	-46.8	175.8	-175.4	-175.7	2.5	0	0	112.3	Y466 A692 R693 L694 V698 T699 G700 S701	Y466-Q696 VanDerWaalsContact CE2-OE1 3.29Å; Y466-Q696 VanDerWaalsContact CG-NE2 3.31Å; Y466-Q696 PolarHBondContact OH-OE1 2.98Å; A692-Q696 WeakPolarHBondContact O-CB 3.12Å; A692-Q696 PolarHBondContact O-N 2.84Å; R693-Q696 PolarHBondContact O-N 2.8Å; L694-Q696 VanDerWaalsContact C-N 3.28Å; L694-Q696 PolarHBondContact O-N 3.17Å; Q696-V698 VanDerWaalsContact C-N 3.25Å; Q696-V698 PolarHBondContact O-N 2.79Å; Q696-T699 PolarHBondContact O-N 3.37Å; Q696-G700 WeakPolarHBondContact O-CA 3.27Å; Q696-G700 PolarHBondContact O-N 2.87Å; Q696-S701 VanDerWaalsContact CA-O 3.28Å; Q696-S701 WeakPolarHBondContact CA-O 3.47Å; Q696-S701 PolarHBondContact N-O 3.09Å; Q696-S701 VanDerWaalsContact N-O 3.16Å
697	F	75.3	Confident	70.4	Confident	18 Å²	18	35 Å²	35	8%	0.079	16%	0.162	C	C	.	.	H	α-helix	trans	-52.7	-45.6	176	176.1	-116.7	0	0	0	111.3	R693 L694 A736 T738 I743 A761 T765	R693-F697 WeakPolarHBondContact O-CB 3.47Å; R693-F697 PolarHBondContact O-N 3.18Å; L694-F697 HydrophobicContact CD1-CD1 4.5Å; L694-F697 PolarHBondContact O-N 3.45Å; F697-A736 HydrophobicContact CD1-CB 4.02Å; F697-A736 HydrophobicContact CD2-CB 4.18Å; F697-A736 HydrophobicContact CE1-CB 3.8Å; F697-A736 HydrophobicContact CE2-CB 3.98Å; F697-A736 HydrophobicContact CG-CB 4.2Å; F697-A736 HydrophobicContact CZ-CB 3.78Å; F697-A736 WeakPolarHBondContact O-CB 3.32Å; F697-T738 WeakPolarHBondContact O-CG2 3.36Å; F697-I743 HydrophobicContact CD1-CD1 4.38Å; F697-I743 HydrophobicContact CE1-CD1 4.08Å; F697-I743 HydrophobicContact CE1-CG1 4.41Å; F697-A761 HydrophobicContact CE1-CB 4.33Å; F697-A761 HydrophobicContact CZ-CB 4.01Å; F697-T765 WeakPolarHBondContact CD2-OG1 3.39Å; F697-T765 HydrophobicContact CE2-CG2 4.14Å; F697-T765 WeakPolarHBondContact CE2-OG1 3.45Å
698	V	76	Confident	70.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-87.7	-24.9	-173.8	-175.5	0	0	0	0	114.4	L694 L695 Q696 F721 T738 N741 I743	L694-V698 HydrophobicContact CD1-CG2 3.92Å; L694-V698 WeakPolarHBondContact O-CG2 3.42Å; L694-V698 PolarHBondContact O-N 2.98Å; L694-V698 VanDerWaalsContact O-N 3.12Å; L695-V698 PolarHBondContact O-N 3.17Å; Q696-V698 VanDerWaalsContact C-N 3.25Å; Q696-V698 PolarHBondContact O-N 2.79Å; V698-F721 HydrophobicContact CB-CD2 4.49Å; V698-F721 HydrophobicContact CB-CE2 3.61Å; V698-F721 HydrophobicContact CB-CZ 4.17Å; V698-F721 HydrophobicContact CG1-CD2 3.95Å; V698-F721 HydrophobicContact CG1-CE2 3.34Å; V698-F721 HydrophobicContact CG1-CZ 3.8Å; V698-F721 HydrophobicContact CG2-CE2 4.08Å; V698-F721 HydrophobicContact CG2-CZ 4.17Å; V698-T738 WeakPolarHBondContact O-CA 3.42Å; V698-N741 WeakPolarHBondContact O-CA 3.32Å; V698-I743 HydrophobicContact CG1-CB 3.93Å; V698-I743 HydrophobicContact CG1-CG2 4.44Å; V698-I743 HydrophobicContact CG2-CB 3.76Å; V698-I743 HydrophobicContact CG2-CD1 3.91Å; V698-I743 HydrophobicContact CG2-CG1 4.15Å; V698-I743 HydrophobicContact CG2-CG2 4.43Å
699	T	70.9	Confident	70.9	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.012	13%	0.126	C	C	.	.	H	α-helix	trans	-123.9	-8.5	-173.3	75.4	0	0	0	0	114.8	R462 L695 Q696 S701 L712 F721 N741	R462-T699 WeakPolarHBondContact CD-O 3.41Å; R462-T699 PolarHBondContact NH1-O 2.86Å; L695-T699 HydrophobicContact CD1-CG2 3.86Å; L695-T699 WeakPolarHBondContact O-CB 3.49Å; L695-T699 WeakPolarHBondContact O-CG2 3.44Å; L695-T699 PolarHBondContact O-N 2.96Å; L695-T699 PolarHBondContact O-OG1 2.92Å; Q696-T699 PolarHBondContact O-N 3.37Å; T699-S701 VanDerWaalsContact C-N 3.26Å; T699-S701 PolarHBondContact O-N 2.82Å; T699-S701 PolarHBondContact OG1-N 3.41Å; T699-S701 PolarHBondContact OG1-O 3.43Å; T699-L712 HydrophobicContact CG2-CD1 4.47Å; T699-L712 HydrophobicContact CG2-CD2 4.46Å; T699-F721 HydrophobicContact CG2-CD2 4.16Å; T699-N741 WeakPolarHBondContact CB-OD1 3.24Å; T699-N741 HydrophobicContact CG2-CB 4.09Å
700	G	58.8	Low	71.8	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	77	1.2	-172.8	0	0	0	0	0	114.7	R462 Q696 T738	R462-G700 CarbonylContact C-O 3.48Å; R462-G700 WeakPolarHBondContact CB-O 3.19Å; Q696-G700 WeakPolarHBondContact O-CA 3.27Å; Q696-G700 PolarHBondContact O-N 2.87Å; G700-T738 VanDerWaalsContact N-CG2 3.34Å
701	S	62.3	Low	72	Confident	15 Å²	15	25 Å²	25	11%	0.105	12%	0.118	C	C	.	.			trans	-133.9	138	178.5	-171.3	0	0	0	0	111.8	L695 Q696 T699 R703	L695-S701 CarbonylContact C-O 3.57Å; L695-S701 VanDerWaalsContact C-O 3.26Å; L695-S701 WeakPolarHBondContact CG-O 3.09Å; Q696-S701 VanDerWaalsContact CA-O 3.28Å; Q696-S701 WeakPolarHBondContact CA-O 3.47Å; Q696-S701 PolarHBondContact N-O 3.09Å; Q696-S701 VanDerWaalsContact N-O 3.16Å; T699-S701 VanDerWaalsContact C-N 3.26Å; T699-S701 PolarHBondContact O-N 2.82Å; T699-S701 PolarHBondContact OG1-N 3.41Å; T699-S701 PolarHBondContact OG1-O 3.43Å; S701-R703 VanDerWaalsContact C-N 3.25Å; S701-R703 PolarHBondContact O-N 2.9Å; S701-R703 PolarHBondContact OG-N 3.43Å
702	S	60.1	Low	71.5	Confident	6 Å²	6	23.6 Å²	23.6	4%	0.042	11%	0.113	C	C	.	.	S	Bend	trans	-76.5	-7.8	173.4	50.6	0	0	0	0	113.7	Y466 D524	Y466-S702 WeakPolarHBondContact CD2-OG 3.28Å; D524-S702 WeakPolarHBondContact OD2-CB 3.36Å; D524-S702 PolarHBondContact OD2-OG 2.69Å
703	R	68.5	Low	71.3	Confident	60 Å²	60	25 Å²	25	23%	0.226	12%	0.116	C	C	.	.	S	Bend	trans	-118.9	142.2	-167.7	-56.5	-63.8	-174.7	172.4	13.8	112	Y522 D524 C650 S701	Y522-R703 HydrophobicContact CD2-CB 4.08Å; Y522-R703 HydrophobicContact CG-CB 4.25Å; D524-R703 IonicContact OD1-CZ 3.22Å; D524-R703 IonicContact OD1-NE 3.85Å; D524-R703 PolarHBondContact OD1-NE 3Å; D524-R703 VanDerWaalsContact OD1-NE 3.09Å; D524-R703 IonicContact OD1-NH2 2.72Å; D524-R703 PolarHBondContact OD1-NH2 3.37Å; D524-R703 IonicContact OD2-NE 3.38Å; C650-R703 WeakPolarHBondContact O-CB 3.14Å; C650-R703 VanDerWaalsContact O-CG 3.22Å; C650-R703 WeakPolarHBondContact O-CG 3.29Å; S701-R703 VanDerWaalsContact C-N 3.25Å; S701-R703 PolarHBondContact O-N 2.9Å; S701-R703 PolarHBondContact OG-N 3.43Å
704	V	73.5	Confident	71.1	Confident	4 Å²	4	21 Å²	21	2%	0.024	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-91.2	138.5	179.6	-175.8	0	0	0	0	109.4	L652 I655 L695 F709	L652-V704 HydrophobicContact CB-CB 4.19Å; L652-V704 WeakPolarHBondContact CB-O 3.19Å; L652-V704 HydrophobicContact CD1-CG1 4.44Å; L652-V704 PolarHBondContact N-O 2.96Å; L652-V704 PolarHBondContact O-N 3.12Å; I655-V704 HydrophobicContact CG1-CG2 3.93Å; L695-V704 HydrophobicContact CD2-CG2 3.56Å; V704-F709 HydrophobicContact CB-CE2 4.33Å; V704-F709 HydrophobicContact CG1-CD2 3.78Å; V704-F709 HydrophobicContact CG1-CE2 3.73Å; V704-F709 HydrophobicContact CG1-CG 4.39Å; V704-F709 HydrophobicContact CG1-CZ 4.29Å; V704-F709 HydrophobicContact CG2-CD2 4.41Å; V704-F709 HydrophobicContact CG2-CE1 4.41Å; V704-F709 HydrophobicContact CG2-CE2 3.54Å; V704-F709 HydrophobicContact CG2-CZ 3.53Å
705	P	66.1	Low	69.6	Low	5 Å²	5	22.3 Å²	22.3	3%	0.032	11%	0.114	C	C	.	.			trans	-57.4	144.9	171.3	-23.7	33.8	0	0	0	111.8	Y522 L652 Q707 G708 A711 L712	Y522-P705 HydrophobicContact CE2-CG 4.25Å; Y522-P705 WeakPolarHBondContact OH-CA 3.35Å; Y522-P705 WeakPolarHBondContact OH-CB 3.36Å; L652-P705 WeakPolarHBondContact CD1-O 3.07Å; P705-Q707 PolarHBondContact O-N 3.37Å; P705-G708 WeakPolarHBondContact O-CA 3.44Å; P705-G708 PolarHBondContact O-N 2.75Å; P705-A711 HydrophobicContact CB-CB 4.25Å; P705-L712 HydrophobicContact CG-CD2 4.25Å
706	L	65.2	Low	68.4	Low	43 Å²	43	27.2 Å²	27.2	23%	0.225	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-38.7	174.4	175.9	75.2	0	0	0	114.4	L395 V396 L647 G708	L395-L706 HydrophobicContact CB-CD2 3.97Å; L395-L706 HydrophobicContact CD2-CD1 3.76Å; L395-L706 HydrophobicContact CD2-CD2 3.36Å; L395-L706 HydrophobicContact CD2-CG 4.18Å; L395-L706 HydrophobicContact CG-CD2 3.39Å; V396-L706 HydrophobicContact CG2-CD2 4.12Å; L647-L706 HydrophobicContact CB-CD1 4.41Å; L647-L706 HydrophobicContact CD1-CD1 3.99Å; L706-G708 PolarHBondContact O-N 3.31Å
707	Q	67.4	Low	68.1	Low	44 Å²	44	26.9 Å²	26.9	21%	0.206	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	5	-177.2	-70.4	159.3	-3.9	0	0	113.1	V396 P705 K710 A711	V396-Q707 HydrophobicContact CB-CG 4.32Å; V396-Q707 HydrophobicContact CG1-CG 4.01Å; V396-Q707 HydrophobicContact CG2-CG 3.6Å; P705-Q707 PolarHBondContact O-N 3.37Å; Q707-K710 WeakPolarHBondContact O-CE 3.44Å; Q707-K710 WeakPolarHBondContact O-CG 3.1Å; Q707-A711 HydrophobicContact CB-CB 3.38Å; Q707-A711 HydrophobicContact CG-CB 4.34Å
708	G	75.7	Confident	67.8	Low	7 Å²	7	31 Å²	31	7%	0.072	19%	0.188	C	C	.	.			trans	79.1	-174.4	-174.3	0	0	0	0	0	113.7	D659 P705 L706 K710 A711	D659-G708 WeakPolarHBondContact OD2-CA 3.4Å; P705-G708 WeakPolarHBondContact O-CA 3.44Å; P705-G708 PolarHBondContact O-N 2.75Å; L706-G708 PolarHBondContact O-N 3.31Å; G708-K710 PolarHBondContact O-N 3.47Å; G708-A711 PolarHBondContact O-N 2.94Å
709	F	83.1	Confident	67.9	Low	1 Å²	1	35.7 Å²	35.7	0%	0.004	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-62	-23.9	-177.1	-81.5	-94	0	0	0	113.7	I655 D659 W660 N663 L695 V704 A711 L712	I655-F709 HydrophobicContact CG2-CE2 4.07Å; I655-F709 HydrophobicContact CG2-CZ 3.94Å; D659-F709 HydrophobicContact CB-CD2 4.45Å; D659-F709 WeakPolarHBondContact OD2-CD2 3.32Å; D659-F709 PolarHBondContact OD2-N 2.93Å; W660-F709 HydrophobicContact CB-CD1 4.04Å; W660-F709 HydrophobicContact CB-CD2 3.75Å; W660-F709 HydrophobicContact CB-CE1 3.89Å; W660-F709 HydrophobicContact CB-CE2 3.56Å; W660-F709 HydrophobicContact CB-CG 4Å; W660-F709 HydrophobicContact CB-CZ 3.65Å; W660-F709 AromaticContact CD1-CD1 3.35Å; W660-F709 AromaticContact CD1-CE1 3.24Å; W660-F709 AromaticContact CD1-CZ 3.88Å; W660-F709 HydrophobicContact CD2-CD1 4.28Å; W660-F709 AromaticContact CD2-CE1 3.42Å; W660-F709 HydrophobicContact CD2-CE1 3.42Å; W660-F709 VanDerWaalsContact CD2-CE1 3.42Å; W660-F709 HydrophobicContact CD2-CE2 4.23Å; W660-F709 AromaticContact CD2-CZ 3.39Å; W660-F709 HydrophobicContact CD2-CZ 3.39Å; W660-F709 AromaticContact CE2-CE1 3.53Å; W660-F709 AromaticContact CE2-CZ 3.94Å; W660-F709 HydrophobicContact CE3-CE1 4.18Å; W660-F709 HydrophobicContact CE3-CE2 4.49Å; W660-F709 AromaticContact CE3-CZ 3.71Å; W660-F709 HydrophobicContact CE3-CZ 3.71Å; W660-F709 AromaticContact CG-CD1 3.65Å; W660-F709 HydrophobicContact CG-CD1 3.65Å; W660-F709 HydrophobicContact CG-CD2 4.21Å; W660-F709 AromaticContact CG-CE1 3.25Å; W660-F709 HydrophobicContact CG-CE1 3.25Å; W660-F709 AromaticContact CG-CE2 3.86Å; W660-F709 HydrophobicContact CG-CE2 3.86Å; W660-F709 HydrophobicContact CG-CG 4.13Å; W660-F709 AromaticContact CG-CZ 3.37Å; W660-F709 HydrophobicContact CG-CZ 3.37Å; W660-F709 HydrophobicContact CZ2-CE1 4.32Å; W660-F709 HydrophobicContact CZ3-CZ 4.45Å; W660-F709 AromaticContact NE1-CD1 3.87Å; W660-F709 AromaticContact NE1-CE1 3.44Å; N663-F709 HydrophobicContact CB-CB 3.71Å; L695-F709 HydrophobicContact CD1-CE1 3.55Å; L695-F709 HydrophobicContact CD1-CZ 4.04Å; L695-F709 HydrophobicContact CD2-CZ 4.37Å; V704-F709 HydrophobicContact CB-CE2 4.33Å; V704-F709 HydrophobicContact CG1-CD2 3.78Å; V704-F709 HydrophobicContact CG1-CE2 3.73Å; V704-F709 HydrophobicContact CG1-CG 4.39Å; V704-F709 HydrophobicContact CG1-CZ 4.29Å; V704-F709 HydrophobicContact CG2-CD2 4.41Å; V704-F709 HydrophobicContact CG2-CE1 4.41Å; V704-F709 HydrophobicContact CG2-CE2 3.54Å; V704-F709 HydrophobicContact CG2-CZ 3.53Å; F709-A711 PolarHBondContact O-N 2.8Å; F709-A711 VanDerWaalsContact O-N 3.16Å; F709-L712 HydrophobicContact CD1-CD1 3.66Å; F709-L712 HydrophobicContact CD1-CG 4.28Å; F709-L712 HydrophobicContact CE1-CD1 4.31Å; F709-L712 WeakPolarHBondContact O-CG 3.05Å; F709-L712 PolarHBondContact O-N 2.83Å
710	K	83.8	Confident	68.6	Low	132 Å²	132	38.7 Å²	38.7	57%	0.574	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-58.7	-22.8	171.6	64	-177.6	175	-172.5	0	114.3	N663 Q707 G708	N663-K710 WeakPolarHBondContact OD1-CB 3.43Å; Q707-K710 WeakPolarHBondContact O-CE 3.44Å; Q707-K710 WeakPolarHBondContact O-CG 3.1Å; G708-K710 PolarHBondContact O-N 3.47Å
711	A	77.6	Confident	70.1	Confident	8 Å²	8	38.7 Å²	38.7	7%	0.066	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-110	12.8	-175.3	0	0	0	0	0	113.9	P705 Q707 G708 F709 Q713	P705-A711 HydrophobicContact CB-CB 4.25Å; Q707-A711 HydrophobicContact CB-CB 3.38Å; Q707-A711 HydrophobicContact CG-CB 4.34Å; G708-A711 PolarHBondContact O-N 2.94Å; F709-A711 PolarHBondContact O-N 2.8Å; F709-A711 VanDerWaalsContact O-N 3.16Å; A711-Q713 PolarHBondContact O-N 3.26Å; A711-Q713 PolarHBondContact O-NE2 3.05Å
712	L	71.8	Confident	71.4	Confident	8 Å²	8	38.4 Å²	38.4	4%	0.042	22%	0.219	C	C	.	.			trans	-50	137.6	169.2	-80	175.2	0	0	0	110.4	T699 P705 F709 P718 R719 F721	T699-L712 HydrophobicContact CG2-CD1 4.47Å; T699-L712 HydrophobicContact CG2-CD2 4.46Å; P705-L712 HydrophobicContact CG-CD2 4.25Å; F709-L712 HydrophobicContact CD1-CD1 3.66Å; F709-L712 HydrophobicContact CD1-CG 4.28Å; F709-L712 HydrophobicContact CE1-CD1 4.31Å; F709-L712 WeakPolarHBondContact O-CG 3.05Å; F709-L712 PolarHBondContact O-N 2.83Å; L712-P718 CarbonylContact O-C 3.57Å; L712-P718 WeakPolarHBondContact O-CA 3.38Å; L712-R719 VanDerWaalsContact CB-O 3.28Å; L712-R719 WeakPolarHBondContact CB-O 3.37Å; L712-R719 PolarHBondContact O-N 2.82Å; L712-F721 HydrophobicContact CD1-CB 3.83Å
713	Q	65.9	Low	73	Confident	50 Å²	50	38.1 Å²	38.1	23%	0.234	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.7	-179.9	-61.4	-57.2	-53.2	0	0	110	R462 A711 N741	R462-Q713 VanDerWaalsContact CZ-O 3.27Å; R462-Q713 PolarHBondContact NH1-O 3.34Å; R462-Q713 PolarHBondContact NH2-O 2.74Å; A711-Q713 PolarHBondContact O-N 3.26Å; A711-Q713 PolarHBondContact O-NE2 3.05Å; Q713-N741 PolarHBondContact O-ND2 3.07Å; Q713-N741 PolarHBondContact O-OD1 2.87Å
714	G	61.9	Low	74.2	Confident	9 Å²	9	36 Å²	36	9%	0.093	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-168.4	167.4	0	0	0	0	0	111.1	A716 G717	G714-A716 PolarHBondContact O-N 3.2Å; G714-A716 VanDerWaalsContact O-N 3.08Å; G714-G717 PolarHBondContact N-O 3.32Å; G714-G717 PolarHBondContact O-N 2.83Å
715	A	50.3	Low	75	Confident	26 Å²	26	38.4 Å²	38.4	22%	0.215	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.8	-179.3	0	0	0	0	0	117	Y457 C739	Y457-A715 HydrophobicContact CG-CB 4.33Å; Y457-A715 VanDerWaalsContact O-CA 3.25Å; Y457-A715 WeakPolarHBondContact O-CA 3.44Å; A715-C739 HydrophobicContact CB-CB 4.25Å; A715-C739 WeakPolarHBondContact CB-O 3.41Å; A715-C739 PolarHBondContact N-O 3.01Å
716	A	54.3	Low	76.1	Confident	103 Å²	103	40.1 Å²	40.1	85%	0.851	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.4	31.1	-172.1	0	0	0	0	0	111.7	G714	G714-A716 PolarHBondContact O-N 3.2Å; G714-A716 VanDerWaalsContact O-N 3.08Å
717	G	61.3	Low	77	Confident	24 Å²	24	46.1 Å²	46.1	25%	0.247	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.7	-157.7	-176.2	0	0	0	0	0	113.5	G714 R719	G714-G717 PolarHBondContact N-O 3.32Å; G714-G717 PolarHBondContact O-N 2.83Å; G717-R719 PolarHBondContact O-N 3.45Å
718	P	70.1	Confident	77.6	Confident	103 Å²	103	45.4 Å²	45.4	67%	0.669	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.2	128.5	-171.7	-26.4	34.3	0	0	0	113.6	L712	L712-P718 CarbonylContact O-C 3.57Å; L712-P718 WeakPolarHBondContact O-CA 3.38Å
719	R	76.9	Confident	77.9	Confident	99 Å²	99	49.8 Å²	49.8	37%	0.374	29%	0.285	S	S	.	.			trans	-153.3	117.1	-176.7	-172.1	163.7	-180	141.5	-0.6	111.5	L712 G717 F740 N741	L712-R719 VanDerWaalsContact CB-O 3.28Å; L712-R719 WeakPolarHBondContact CB-O 3.37Å; L712-R719 PolarHBondContact O-N 2.82Å; G717-R719 PolarHBondContact O-N 3.45Å; R719-F740 PolarHBondContact NE-O 3.11Å; R719-N741 PolarHBondContact O-ND2 3.14Å
720	L	86.1	Confident	77.8	Confident	65 Å²	65	50.3 Å²	50.3	34%	0.34	29%	0.289	S	S	.	.			trans	-60.8	152.5	179.9	-59.6	-177.7	0	0	0	113.1	N663 T722	N663-L720 HydrophobicContact CB-CD2 4.4Å; L720-T722 PolarHBondContact O-OG1 3.48Å
721	F	89.6	Confident	77.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.286	C	S	.	.			trans	-56	135.8	165.2	-170.1	-90	0	0	0	109.6	W660 T664 R665 F679 V698 T699 L712 I723 N741 I743	W660-F721 AromaticContact CD1-CG 4Å; W660-F721 AromaticContact CE2-CE2 3.84Å; W660-F721 HydrophobicContact CZ2-CD2 4.15Å; W660-F721 AromaticContact CZ2-CE2 3.56Å; W660-F721 HydrophobicContact CZ2-CE2 3.56Å; W660-F721 AromaticContact CZ2-CZ 3.83Å; W660-F721 HydrophobicContact CZ2-CZ 3.83Å; W660-F721 AromaticContact NE1-CD1 3.43Å; W660-F721 AromaticContact NE1-CD2 3.31Å; W660-F721 VanDerWaalsContact NE1-CD2 3.31Å; W660-F721 AromaticContact NE1-CE1 3.63Å; W660-F721 AromaticContact NE1-CE2 3.49Å; W660-F721 AromaticContact NE1-CG 3.28Å; W660-F721 VanDerWaalsContact NE1-CG 3.28Å; W660-F721 AromaticContact NE1-CZ 3.66Å; T664-F721 WeakPolarHBondContact CA-O 3.41Å; T664-F721 HydrophobicContact CG2-CD1 3.85Å; T664-F721 HydrophobicContact CG2-CE1 4.47Å; T664-F721 WeakPolarHBondContact OG1-CD1 3.38Å; R665-F721 PolarHBondContact N-O 2.96Å; F679-F721 HydrophobicContact CE1-CE1 4.25Å; F679-F721 HydrophobicContact CZ-CE1 4.08Å; F679-F721 AromaticContact CZ-CZ 3.96Å; F679-F721 HydrophobicContact CZ-CZ 3.96Å; V698-F721 HydrophobicContact CB-CD2 4.49Å; V698-F721 HydrophobicContact CB-CE2 3.61Å; V698-F721 HydrophobicContact CB-CZ 4.17Å; V698-F721 HydrophobicContact CG1-CD2 3.95Å; V698-F721 HydrophobicContact CG1-CE2 3.34Å; V698-F721 HydrophobicContact CG1-CZ 3.8Å; V698-F721 HydrophobicContact CG2-CE2 4.08Å; V698-F721 HydrophobicContact CG2-CZ 4.17Å; T699-F721 HydrophobicContact CG2-CD2 4.16Å; L712-F721 HydrophobicContact CD1-CB 3.83Å; F721-I723 HydrophobicContact CD1-CG1 4.36Å; F721-I723 HydrophobicContact CE1-CD1 4.47Å; F721-I723 HydrophobicContact CE1-CG1 3.81Å; F721-N741 CarbonylContact C-O 3.55Å; F721-N741 WeakPolarHBondContact CA-O 3.41Å; F721-I743 HydrophobicContact CE1-CG2 4.35Å; F721-I743 HydrophobicContact CZ-CG2 4.24Å
722	T	90.5	Very high	78	Confident	10 Å²	10	51.8 Å²	51.8	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.9	-175.1	-56.1	0	0	0	0	111.5	R665 K667 L720 N741 R742 I743	R665-T722 HydrophobicContact CB-CG2 4.32Å; R665-T722 HydrophobicContact CG-CG2 4.41Å; R665-T722 CarbonylContact O-C 3.54Å; R665-T722 VanDerWaalsContact O-CA 3.25Å; R665-T722 WeakPolarHBondContact O-CA 3.2Å; K667-T722 HydrophobicContact CB-CG2 4.39Å; L720-T722 PolarHBondContact O-OG1 3.48Å; T722-N741 PolarHBondContact N-O 2.89Å; T722-R742 HydrophobicContact CG2-CG 3.94Å; T722-R742 CarbonylContact O-C 3.56Å; T722-R742 VanDerWaalsContact O-CA 3.28Å; T722-R742 WeakPolarHBondContact O-CA 3.16Å; T722-I743 PolarHBondContact O-N 3.1Å
723	I	94.4	Very high	78.6	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.2	166.9	-58.6	170.8	0	0	0	108.1	T664 R665 L666 K667 F679 W680 F721 I743 I745	T664-I723 HydrophobicContact CG2-CD1 3.84Å; T664-I723 HydrophobicContact CG2-CG1 3.85Å; R665-I723 PolarHBondContact O-N 3.18Å; L666-I723 CarbonylContact C-O 3.55Å; L666-I723 WeakPolarHBondContact CA-O 3.46Å; L666-I723 HydrophobicContact CD2-CB 3.89Å; L666-I723 HydrophobicContact CD2-CD1 4.1Å; L666-I723 HydrophobicContact CD2-CG1 4.4Å; K667-I723 PolarHBondContact N-O 2.85Å; F679-I723 HydrophobicContact CD1-CD1 3.48Å; F679-I723 VanDerWaalsContact CD1-CD1 3.48Å; F679-I723 HydrophobicContact CD1-CG1 4.45Å; F679-I723 HydrophobicContact CE1-CD1 3.67Å; F679-I723 HydrophobicContact CE1-CG1 4.32Å; F679-I723 HydrophobicContact CG-CD1 4.09Å; F679-I723 HydrophobicContact CZ-CD1 4.42Å; W680-I723 HydrophobicContact CZ2-CD1 4.16Å; F721-I723 HydrophobicContact CD1-CG1 4.36Å; F721-I723 HydrophobicContact CE1-CD1 4.47Å; F721-I723 HydrophobicContact CE1-CG1 3.81Å; I723-I743 HydrophobicContact CG1-CG2 4.17Å; I723-I745 HydrophobicContact CG2-CD1 3.83Å; I723-I745 HydrophobicContact CG2-CG1 4.45Å
724	H	92.4	Very high	79.6	Confident	16 Å²	16	52 Å²	52	7%	0.074	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	111.3	-177.7	177.7	-142.3	0	0	0	109.2	K667 H668 I726 R742 I743 D744 I745	K667-H724 HydrophobicContact CB-CB 4.31Å; K667-H724 PolarHBondContact NZ-NE2 2.81Å; K667-H724 WeakPolarHBondContact O-CA 3.27Å; H668-H724 AromaticContact CD2-CD2 3.67Å; H668-H724 AromaticContact CD2-NE2 3.39Å; H668-H724 PolarHBondContact CD2-NE2 3.26Å; H724-I726 VanDerWaalsContact CE1-CG2 3.49Å; H724-I726 WeakPolarHBondContact CE1-CG2 3.44Å; H724-I726 PolarHBondContact O-N 2.9Å; H724-R742 HydrophobicContact CB-CG 3.92Å; H724-R742 PolarHBondContact ND1-NE 2.8Å; H724-I743 WeakPolarHBondContact CB-O 3.43Å; H724-I743 PolarHBondContact N-O 3.45Å; H724-D744 WeakPolarHBondContact CB-OD1 3.21Å; H724-D744 IonicContact CE1-OD1 2.73Å; H724-D744 IonicContact CE1-OD2 2.84Å; H724-D744 IonicContact CG-OD1 2.67Å; H724-D744 IonicContact ND1-OD1 2.71Å; H724-D744 PolarHBondContact ND1-OD1 2.78Å; H724-D744 IonicContact ND1-OD2 2.72Å; H724-D744 PolarHBondContact ND1-OD2 2.88Å; H724-D744 CarbonylContact O-C 3.57Å; H724-D744 WeakPolarHBondContact O-CA 3.2Å; H724-I745 PolarHBondContact O-N 3.16Å
725	Q	90.1	Very high	80.5	Confident	53 Å²	53	56 Å²	56	25%	0.248	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123.1	170.9	179.8	173.9	-18.5	0	0	108.3	K667 C669 I675 I745	K667-Q725 PolarHBondContact O-N 2.98Å; C669-Q725 HydrophobicContact CB-CB 3.89Å; I675-Q725 HydrophobicContact CD1-CG 3.74Å; Q725-I745 WeakPolarHBondContact CA-O 3.1Å
726	I	89.8	Confident	81.8	Confident	41 Å²	41	55.8 Å²	55.8	21%	0.21	32%	0.318	C	S	.	.			trans	-104.4	149.2	177.4	56	166.3	0	0	0	110.6	H724 A728 D744 I745 P746 P747	H724-I726 VanDerWaalsContact CE1-CG2 3.49Å; H724-I726 WeakPolarHBondContact CE1-CG2 3.44Å; H724-I726 PolarHBondContact O-N 2.9Å; I726-A728 HydrophobicContact CD1-CB 3.65Å; I726-A728 HydrophobicContact CG1-CB 3.99Å; I726-A728 PolarHBondContact O-N 3.2Å; I726-D744 HydrophobicContact CD1-CB 4.14Å; I726-D744 HydrophobicContact CG1-CB 4.42Å; I726-D744 HydrophobicContact CG2-CB 3.79Å; I726-I745 PolarHBondContact N-O 3.11Å; I726-I745 VanDerWaalsContact N-O 3.1Å; I726-P746 HydrophobicContact CD1-CG 4.4Å; I726-P747 WeakPolarHBondContact O-CD 3.18Å
727	D	83.4	Confident	82.8	Confident	170 Å²	170	55.4 Å²	55.4	91%	0.909	30%	0.299	S	S	*	.			trans	-86.5	94.7	169.4	-164.5	6	0	0	0	108.4
728	A	81.1	Confident	83.1	Confident	29 Å²	29	54.8 Å²	54.8	24%	0.24	29%	0.29	C	S	.	.	S	Bend	trans	-150.7	164.2	-174.6	0	0	0	0	0	110.3	I726 A730 P747	I726-A728 HydrophobicContact CD1-CB 3.65Å; I726-A728 HydrophobicContact CG1-CB 3.99Å; I726-A728 PolarHBondContact O-N 3.2Å; A728-A730 PolarHBondContact O-N 2.91Å; A728-P747 WeakPolarHBondContact O-CD 3.19Å
729	N	81	Confident	82.7	Confident	99 Å²	99	50.8 Å²	50.8	53%	0.529	26%	0.264	S	S	.	.			trans	-60.3	127.6	179.7	-172.9	-23.9	0	0	0	111.1	N731 N732	N729-N731 PolarHBondContact O-N 2.81Å; N729-N731 PolarHBondContact OD1-N 2.92Å; N729-N732 WeakPolarHBondContact O-CB 3.46Å; N729-N732 PolarHBondContact O-N 2.8Å
730	A	81.7	Confident	82.6	Confident	12 Å²	12	49.6 Å²	49.6	10%	0.099	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	0	179.9	0	0	0	0	0	114.9	A728 P747 Y748 K753	A728-A730 PolarHBondContact O-N 2.91Å; A730-P747 WeakPolarHBondContact CB-O 3.24Å; A730-Y748 VanDerWaalsContact O-CD1 3.29Å; A730-Y748 WeakPolarHBondContact O-CD1 3.5Å; A730-Y748 VanDerWaalsContact O-CE1 3.28Å; A730-Y748 WeakPolarHBondContact O-CE1 3.22Å; A730-K753 WeakPolarHBondContact O-CE 3.09Å; A730-K753 PolarHBondContact O-NZ 2.86Å
731	N	82.6	Confident	82.2	Confident	96 Å²	96	46.5 Å²	46.5	51%	0.513	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-16.8	170.9	-67.7	-14.2	0	0	0	113.4	N729 K753 K757	N729-N731 PolarHBondContact O-N 2.81Å; N729-N731 PolarHBondContact OD1-N 2.92Å; N731-K753 PolarHBondContact OD1-NZ 2.97Å; N731-K753 VanDerWaalsContact OD1-NZ 3.16Å; N731-K757 WeakPolarHBondContact O-CE 3.31Å; N731-K757 PolarHBondContact O-NZ 2.9Å
732	N	83.3	Confident	82	Confident	75 Å²	75	48.8 Å²	48.8	40%	0.401	25%	0.254	S	S	.	.	S	Bend	trans	-66.3	153.4	179.1	-64.9	4.2	0	0	0	111	N729 P746 Y748	N729-N732 WeakPolarHBondContact O-CB 3.46Å; N729-N732 PolarHBondContact O-N 2.8Å; N732-P746 HydrophobicContact CB-CG 4.17Å; N732-Y748 WeakPolarHBondContact O-CE1 3.42Å; N732-Y748 PolarHBondContact O-OH 3.4Å
733	L	84.5	Confident	81.8	Confident	55 Å²	55	48.3 Å²	48.3	29%	0.288	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-75.1	154.2	168.8	-70	167.9	0	0	0	110.8	K757 T760 A761	L733-K757 HydrophobicContact CD2-CB 4.42Å; L733-K757 HydrophobicContact CD2-CD 3.69Å; L733-K757 WeakPolarHBondContact CD2-O 3.37Å; L733-T760 HydrophobicContact CD2-CG2 3.83Å; L733-A761 HydrophobicContact CD2-CB 4.42Å
734	P	85.7	Confident	81.6	Confident	6 Å²	6	49 Å²	49	4%	0.039	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-59.6	143.2	167	-18.2	32.5	0	0	0	110	I743 D744 Y748 K757 L758	P734-I743 HydrophobicContact CB-CD1 4.1Å; P734-I743 HydrophobicContact CB-CG1 4.26Å; P734-D744 WeakPolarHBondContact CA-O 3.43Å; P734-Y748 WeakPolarHBondContact CD-OH 3.41Å; P734-Y748 HydrophobicContact CG-CE2 4.28Å; P734-K757 WeakPolarHBondContact CD-O 3.5Å; P734-L758 HydrophobicContact CG-CD1 4.38Å
735	K	81.1	Confident	81.4	Confident	94 Å²	94	48.3 Å²	48.3	41%	0.409	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.3	178.1	-62	-157.4	175.1	-153.8	0	110.7	D744 E771	K735-D744 PolarHBondContact N-O 3.14Å; K735-D744 PolarHBondContact O-N 3.13Å; K735-E771 PolarHBondContact NZ-OXT 2.73Å
736	A	78.8	Confident	81.5	Confident	22 Å²	22	45.8 Å²	45.8	18%	0.182	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.8	-177.9	0	0	0	0	0	112.8	F697	F697-A736 HydrophobicContact CD1-CB 4.02Å; F697-A736 HydrophobicContact CD2-CB 4.18Å; F697-A736 HydrophobicContact CE1-CB 3.8Å; F697-A736 HydrophobicContact CE2-CB 3.98Å; F697-A736 HydrophobicContact CG-CB 4.2Å; F697-A736 HydrophobicContact CZ-CB 3.78Å; F697-A736 WeakPolarHBondContact O-CB 3.32Å
737	H	74.9	Confident	81.5	Confident	95 Å²	95	45.9 Å²	45.9	44%	0.44	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	84.9	173.2	-58.9	-85.7	0	0	0	109.5	C739 F740 N741 R742 D744	H737-C739 VanDerWaalsContact C-N 3.33Å; H737-C739 PolarHBondContact O-N 3.2Å; H737-F740 HydrophobicContact CB-CB 4.3Å; H737-F740 HydrophobicContact CB-CD2 3.97Å; H737-F740 CarbonylContact O-C 3.59Å; H737-F740 WeakPolarHBondContact O-CA 3.41Å; H737-F740 PolarHBondContact O-N 3.16Å; H737-N741 PolarHBondContact O-N 3.14Å; H737-R742 HydrophobicContact CB-CB 4.4Å; H737-R742 PolarHBondContact CD2-NH2 3.26Å; H737-R742 PolarHBondContact N-O 3.3Å; H737-R742 PolarHBondContact O-N 2.7Å; H737-D744 IonicContact CD2-OD1 2.68Å; H737-D744 IonicContact CD2-OD2 3.3Å
738	T	66.6	Low	81.9	Confident	11 Å²	11	38.3 Å²	38.3	7%	0.067	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-60.1	-37.3	-173	54.1	0	0	0	0	114.1	F697 V698 G700 F740 N741 F768	F697-T738 WeakPolarHBondContact O-CG2 3.36Å; V698-T738 WeakPolarHBondContact O-CA 3.42Å; G700-T738 VanDerWaalsContact N-CG2 3.34Å; T738-F740 PolarHBondContact O-N 3.11Å; T738-N741 PolarHBondContact O-N 3.42Å; T738-N741 VanDerWaalsContact O-N 3.15Å; T738-N741 PolarHBondContact O-OD1 3.12Å; T738-N741 VanDerWaalsContact O-OD1 3.09Å; T738-F768 HydrophobicContact CG2-CD1 4.29Å; T738-F768 HydrophobicContact CG2-CE1 3.33Å; T738-F768 HydrophobicContact CG2-CE2 4.4Å; T738-F768 HydrophobicContact CG2-CZ 3.42Å; T738-F768 VanDerWaalsContact CG2-CZ 3.42Å
739	C	63.2	Low	82.3	Confident	19 Å²	19	43.8 Å²	43.8	13%	0.128	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-55.4	-22.5	171.6	-60.7	0	0	0	0	113.5	A715 H737	A715-C739 HydrophobicContact CB-CB 4.25Å; A715-C739 WeakPolarHBondContact CB-O 3.41Å; A715-C739 PolarHBondContact N-O 3.01Å; H737-C739 VanDerWaalsContact C-N 3.33Å; H737-C739 PolarHBondContact O-N 3.2Å
740	F	72.8	Confident	82.9	Confident	73 Å²	73	41.1 Å²	41.1	32%	0.32	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-116.5	0.2	-177.2	-59.3	-40.6	0	0	0	114.4	R719 H737 T738 R742	R719-F740 PolarHBondContact NE-O 3.11Å; H737-F740 HydrophobicContact CB-CB 4.3Å; H737-F740 HydrophobicContact CB-CD2 3.97Å; H737-F740 CarbonylContact O-C 3.59Å; H737-F740 WeakPolarHBondContact O-CA 3.41Å; H737-F740 PolarHBondContact O-N 3.16Å; T738-F740 PolarHBondContact O-N 3.11Å; F740-R742 HydrophobicContact CB-CB 4.17Å; F740-R742 PolarHBondContact O-N 2.89Å
741	N	77.9	Confident	83.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	41.1	-171.2	-57.8	-30.7	0	0	0	112.3	R462 V698 T699 Q713 R719 F721 T722 H737 T738	R462-N741 PolarHBondContact NH1-OD1 2.93Å; V698-N741 WeakPolarHBondContact O-CA 3.32Å; T699-N741 WeakPolarHBondContact CB-OD1 3.24Å; T699-N741 HydrophobicContact CG2-CB 4.09Å; Q713-N741 PolarHBondContact O-ND2 3.07Å; Q713-N741 PolarHBondContact O-OD1 2.87Å; R719-N741 PolarHBondContact O-ND2 3.14Å; F721-N741 CarbonylContact C-O 3.55Å; F721-N741 WeakPolarHBondContact CA-O 3.41Å; T722-N741 PolarHBondContact N-O 2.89Å; H737-N741 PolarHBondContact O-N 3.14Å; T738-N741 PolarHBondContact O-N 3.42Å; T738-N741 VanDerWaalsContact O-N 3.15Å; T738-N741 PolarHBondContact O-OD1 3.12Å; T738-N741 VanDerWaalsContact O-OD1 3.09Å
742	R	85.3	Confident	83.8	Confident	48 Å²	48	42.6 Å²	42.6	18%	0.181	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.7	-170.9	-170.9	-178.3	89.4	-151	7.6	111.9	T722 H724 H737 F740 D744	T722-R742 HydrophobicContact CG2-CG 3.94Å; T722-R742 CarbonylContact O-C 3.56Å; T722-R742 VanDerWaalsContact O-CA 3.28Å; T722-R742 WeakPolarHBondContact O-CA 3.16Å; H724-R742 HydrophobicContact CB-CG 3.92Å; H724-R742 PolarHBondContact ND1-NE 2.8Å; H737-R742 HydrophobicContact CB-CB 4.4Å; H737-R742 PolarHBondContact CD2-NH2 3.26Å; H737-R742 PolarHBondContact N-O 3.3Å; H737-R742 PolarHBondContact O-N 2.7Å; F740-R742 HydrophobicContact CB-CB 4.17Å; F740-R742 PolarHBondContact O-N 2.89Å; R742-D744 IonicContact CZ-OD1 3.64Å; R742-D744 IonicContact CZ-OD2 3.29Å; R742-D744 IonicContact NE-OD1 3.42Å; R742-D744 PolarHBondContact NE-OD1 2.72Å; R742-D744 IonicContact NE-OD2 2.69Å; R742-D744 IonicContact NH2-OD1 3.42Å; R742-D744 PolarHBondContact NH2-OD1 2.81Å; R742-D744 IonicContact NH2-OD2 2.8Å; R742-D744 PolarHBondContact NH2-OD2 3.27Å
743	I	87.4	Confident	84.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.2	168.1	-169.6	174	0	0	0	110.1	F679 L694 F697 V698 F721 T722 I723 H724 P734 I745 L758	F679-I743 HydrophobicContact CE2-CD1 4.31Å; L694-I743 HydrophobicContact CD1-CD1 4.42Å; F697-I743 HydrophobicContact CD1-CD1 4.38Å; F697-I743 HydrophobicContact CE1-CD1 4.08Å; F697-I743 HydrophobicContact CE1-CG1 4.41Å; V698-I743 HydrophobicContact CG1-CB 3.93Å; V698-I743 HydrophobicContact CG1-CG2 4.44Å; V698-I743 HydrophobicContact CG2-CB 3.76Å; V698-I743 HydrophobicContact CG2-CD1 3.91Å; V698-I743 HydrophobicContact CG2-CG1 4.15Å; V698-I743 HydrophobicContact CG2-CG2 4.43Å; F721-I743 HydrophobicContact CE1-CG2 4.35Å; F721-I743 HydrophobicContact CZ-CG2 4.24Å; T722-I743 PolarHBondContact O-N 3.1Å; I723-I743 HydrophobicContact CG1-CG2 4.17Å; H724-I743 WeakPolarHBondContact CB-O 3.43Å; H724-I743 PolarHBondContact N-O 3.45Å; P734-I743 HydrophobicContact CB-CD1 4.1Å; P734-I743 HydrophobicContact CB-CG1 4.26Å; I743-I745 HydrophobicContact CD1-CD1 4.33Å; I743-I745 HydrophobicContact CD1-CG1 4.19Å; I743-I745 HydrophobicContact CG1-CD1 4.5Å; I743-I745 HydrophobicContact CG1-CG1 3.96Å; I743-I745 HydrophobicContact CG2-CD1 4.13Å; I743-I745 HydrophobicContact CG2-CG1 4.18Å; I743-L758 HydrophobicContact CD1-CD1 3.94Å
744	D	88.9	Confident	84.5	Confident	14 Å²	14	38.6 Å²	38.6	8%	0.075	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	111.8	176.9	-72.7	9.8	0	0	0	108.3	H724 I726 P734 K735 H737 R742	H724-D744 WeakPolarHBondContact CB-OD1 3.21Å; H724-D744 IonicContact CE1-OD1 2.73Å; H724-D744 IonicContact CE1-OD2 2.84Å; H724-D744 IonicContact CG-OD1 2.67Å; H724-D744 IonicContact ND1-OD1 2.71Å; H724-D744 PolarHBondContact ND1-OD1 2.78Å; H724-D744 IonicContact ND1-OD2 2.72Å; H724-D744 PolarHBondContact ND1-OD2 2.88Å; H724-D744 CarbonylContact O-C 3.57Å; H724-D744 WeakPolarHBondContact O-CA 3.2Å; I726-D744 HydrophobicContact CD1-CB 4.14Å; I726-D744 HydrophobicContact CG1-CB 4.42Å; I726-D744 HydrophobicContact CG2-CB 3.79Å; P734-D744 WeakPolarHBondContact CA-O 3.43Å; K735-D744 PolarHBondContact N-O 3.14Å; K735-D744 PolarHBondContact O-N 3.13Å; H737-D744 IonicContact CD2-OD1 2.68Å; H737-D744 IonicContact CD2-OD2 3.3Å; R742-D744 IonicContact CZ-OD1 3.64Å; R742-D744 IonicContact CZ-OD2 3.29Å; R742-D744 IonicContact NE-OD1 3.42Å; R742-D744 PolarHBondContact NE-OD1 2.72Å; R742-D744 IonicContact NE-OD2 2.69Å; R742-D744 IonicContact NH2-OD1 3.42Å; R742-D744 PolarHBondContact NH2-OD1 2.81Å; R742-D744 IonicContact NH2-OD2 2.8Å; R742-D744 PolarHBondContact NH2-OD2 3.27Å
745	I	90.3	Very high	84.7	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.2	-173.3	-49.3	-175.7	0	0	0	109.6	I675 F679 I723 H724 Q725 I726 I743 Y748 L754	I675-I745 HydrophobicContact CG2-CB 4.15Å; I675-I745 HydrophobicContact CG2-CD1 4.34Å; I675-I745 HydrophobicContact CG2-CG2 3.71Å; F679-I745 HydrophobicContact CD2-CD1 3.73Å; F679-I745 HydrophobicContact CE2-CD1 4.25Å; F679-I745 HydrophobicContact CG-CD1 4.39Å; I723-I745 HydrophobicContact CG2-CD1 3.83Å; I723-I745 HydrophobicContact CG2-CG1 4.45Å; H724-I745 PolarHBondContact O-N 3.16Å; Q725-I745 WeakPolarHBondContact CA-O 3.1Å; I726-I745 PolarHBondContact N-O 3.11Å; I726-I745 VanDerWaalsContact N-O 3.1Å; I743-I745 HydrophobicContact CD1-CD1 4.33Å; I743-I745 HydrophobicContact CD1-CG1 4.19Å; I743-I745 HydrophobicContact CG1-CD1 4.5Å; I743-I745 HydrophobicContact CG1-CG1 3.96Å; I743-I745 HydrophobicContact CG2-CD1 4.13Å; I743-I745 HydrophobicContact CG2-CG1 4.18Å; I745-Y748 HydrophobicContact CG2-CD2 3.99Å; I745-Y748 HydrophobicContact CG2-CE2 3.73Å; I745-L754 HydrophobicContact CG2-CD1 4.48Å
746	P	91.4	Very high	85	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.			trans	-60.6	161.2	171.1	-24.4	34.5	0	0	0	113.6	I726 N732 Y748	I726-P746 HydrophobicContact CD1-CG 4.4Å; N732-P746 HydrophobicContact CB-CG 4.17Å; P746-Y748 VanDerWaalsContact C-N 3.28Å; P746-Y748 HydrophobicContact CB-CE1 4.06Å; P746-Y748 HydrophobicContact CB-CE2 4.48Å; P746-Y748 WeakPolarHBondContact CD-OH 3.33Å; P746-Y748 HydrophobicContact CG-CE1 4.32Å; P746-Y748 PolarHBondContact O-N 2.91Å
747	P	89.9	Confident	85.4	Confident	43 Å²	43	42.7 Å²	42.7	28%	0.279	21%	0.209	S	C	.	.			trans	-78.7	75.7	178.7	34	-31.3	0	0	0	110.8	I675 I726 A728 A730	I675-P747 HydrophobicContact CD1-CB 4.44Å; I726-P747 WeakPolarHBondContact O-CD 3.18Å; A728-P747 WeakPolarHBondContact O-CD 3.19Å; A730-P747 WeakPolarHBondContact CB-O 3.24Å
748	Y	91.3	Very high	85.9	Confident	10 Å²	10	38.3 Å²	38.3	4%	0.039	19%	0.189	C	C	.	.			trans	-62.8	147.5	176.7	-61.3	-57.4	0	0	0	112.2	W678 A730 N732 P734 I745 P746 K753 L754 K757	W678-Y748 WeakPolarHBondContact CZ3-O 3.35Å; A730-Y748 VanDerWaalsContact O-CD1 3.29Å; A730-Y748 WeakPolarHBondContact O-CD1 3.5Å; A730-Y748 VanDerWaalsContact O-CE1 3.28Å; A730-Y748 WeakPolarHBondContact O-CE1 3.22Å; N732-Y748 WeakPolarHBondContact O-CE1 3.42Å; N732-Y748 PolarHBondContact O-OH 3.4Å; P734-Y748 WeakPolarHBondContact CD-OH 3.41Å; P734-Y748 HydrophobicContact CG-CE2 4.28Å; I745-Y748 HydrophobicContact CG2-CD2 3.99Å; I745-Y748 HydrophobicContact CG2-CE2 3.73Å; P746-Y748 VanDerWaalsContact C-N 3.28Å; P746-Y748 HydrophobicContact CB-CE1 4.06Å; P746-Y748 HydrophobicContact CB-CE2 4.48Å; P746-Y748 WeakPolarHBondContact CD-OH 3.33Å; P746-Y748 HydrophobicContact CG-CE1 4.32Å; P746-Y748 PolarHBondContact O-N 2.91Å; Y748-K753 HydrophobicContact CD1-CD 4.36Å; Y748-K753 HydrophobicContact CD1-CG 4.17Å; Y748-L754 HydrophobicContact CD2-CB 3.7Å; Y748-L754 HydrophobicContact CD2-CD1 4.04Å; Y748-L754 HydrophobicContact CD2-CG 3.81Å; Y748-L754 HydrophobicContact CE2-CG 4.39Å; Y748-L754 HydrophobicContact CG-CB 4.16Å; Y748-K757 HydrophobicContact CE1-CB 4.05Å; Y748-K757 HydrophobicContact CE1-CG 3.91Å; Y748-K757 HydrophobicContact CE2-CB 4.3Å
749	E	89.7	Confident	86.6	Confident	144 Å²	144	38.9 Å²	38.9	67%	0.673	19%	0.191	S	C	*	.	S	Bend	trans	-85.2	-24.7	-174.2	-65	149.4	163.2	0	0	112.9	K753	E749-K753 IonicContact OE2-NZ 3.35Å; E749-K753 PolarHBondContact OE2-NZ 2.86Å
750	S	93.1	Very high	87.4	Confident	43 Å²	43	40.2 Å²	40.2	30%	0.301	20%	0.199	S	C	.	.	S	Bend	trans	-141.5	161.1	-177.7	72.5	0	0	0	0	112.5	D752 K753 L754	S750-D752 VanDerWaalsContact C-N 3.33Å; S750-K753 WeakPolarHBondContact OG-CB 3.35Å; S750-K753 PolarHBondContact OG-N 2.81Å; S750-K753 VanDerWaalsContact OG-N 3.15Å; S750-L754 PolarHBondContact O-N 2.84Å; S750-L754 VanDerWaalsContact O-N 3.16Å
751	Y	92.9	Very high	87.6	Confident	37 Å²	37	36.8 Å²	36.8	15%	0.145	18%	0.184	C	C	.	.	H	α-helix	trans	-57.8	-45.4	172	172.3	-99.9	0	0	0	111.5	W678 K681 A682 L754 Y755	W678-Y751 HydrophobicContact CB-CD2 3.78Å; W678-Y751 AromaticContact CD1-CD2 3.87Å; W678-Y751 AromaticContact CG-CD2 3.87Å; W678-Y751 HydrophobicContact CG-CD2 3.87Å; W678-Y751 HydrophobicContact CG-CG 4.49Å; K681-Y751 HydrophobicContact CB-CE2 3.89Å; K681-Y751 HydrophobicContact CD-CD2 3.85Å; K681-Y751 HydrophobicContact CD-CE2 3.52Å; K681-Y751 HydrophobicContact CG-CD2 4.47Å; K681-Y751 HydrophobicContact CG-CE2 3.7Å; A682-Y751 HydrophobicContact CB-CE2 4.47Å; Y751-L754 PolarHBondContact O-N 2.84Å; Y751-Y755 HydrophobicContact CE1-CD2 4.4Å; Y751-Y755 AromaticContact CZ-CD2 3.96Å; Y751-Y755 WeakPolarHBondContact O-CB 3.18Å; Y751-Y755 PolarHBondContact O-N 3.22Å; Y751-Y755 WeakPolarHBondContact OH-CD2 3.36Å
752	D	91.6	Very high	87.4	Confident	102 Å²	102	37.4 Å²	37.4	55%	0.545	19%	0.187	S	C	.	.	H	α-helix	trans	-66.9	-41.4	-175.2	-43.6	-59.6	0	0	0	111	S750 L754 Y755 D756	S750-D752 VanDerWaalsContact C-N 3.33Å; D752-L754 VanDerWaalsContact C-N 3.31Å; D752-L754 PolarHBondContact O-N 3.21Å; D752-Y755 PolarHBondContact O-N 2.76Å; D752-D756 WeakPolarHBondContact O-CB 3.46Å; D752-D756 PolarHBondContact O-N 3.42Å
753	K	90.1	Very high	86.5	Confident	45 Å²	45	39.3 Å²	39.3	20%	0.196	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-36.8	175.1	-166	178.7	-168.6	-174.7	0	112	A730 N731 Y748 E749 S750 K757	A730-K753 WeakPolarHBondContact O-CE 3.09Å; A730-K753 PolarHBondContact O-NZ 2.86Å; N731-K753 PolarHBondContact OD1-NZ 2.97Å; N731-K753 VanDerWaalsContact OD1-NZ 3.16Å; Y748-K753 HydrophobicContact CD1-CD 4.36Å; Y748-K753 HydrophobicContact CD1-CG 4.17Å; E749-K753 IonicContact OE2-NZ 3.35Å; E749-K753 PolarHBondContact OE2-NZ 2.86Å; S750-K753 WeakPolarHBondContact OG-CB 3.35Å; S750-K753 PolarHBondContact OG-N 2.81Å; S750-K753 VanDerWaalsContact OG-N 3.15Å; K753-K757 WeakPolarHBondContact O-CB 3.42Å; K753-K757 WeakPolarHBondContact O-CG 3.29Å; K753-K757 PolarHBondContact O-N 2.8Å
754	L	92	Very high	85.2	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-45.5	172.6	-178.2	153.3	0	0	0	111.4	I675 W678 I745 Y748 S750 Y751 D752 L758	I675-L754 HydrophobicContact CB-CD1 4.49Å; I675-L754 HydrophobicContact CG2-CD1 3.94Å; W678-L754 HydrophobicContact CB-CD1 3.9Å; W678-L754 HydrophobicContact CB-CD2 4.32Å; W678-L754 HydrophobicContact CE3-CD1 4.24Å; I745-L754 HydrophobicContact CG2-CD1 4.48Å; Y748-L754 HydrophobicContact CD2-CB 3.7Å; Y748-L754 HydrophobicContact CD2-CD1 4.04Å; Y748-L754 HydrophobicContact CD2-CG 3.81Å; Y748-L754 HydrophobicContact CE2-CG 4.39Å; Y748-L754 HydrophobicContact CG-CB 4.16Å; S750-L754 PolarHBondContact O-N 2.84Å; S750-L754 VanDerWaalsContact O-N 3.16Å; Y751-L754 PolarHBondContact O-N 2.84Å; D752-L754 VanDerWaalsContact C-N 3.31Å; D752-L754 PolarHBondContact O-N 3.21Å; L754-L758 HydrophobicContact CD2-CD2 4.32Å; L754-L758 WeakPolarHBondContact O-CB 3.27Å; L754-L758 PolarHBondContact O-N 3.47Å
755	Y	90.4	Very high	83.4	Confident	52 Å²	52	46.8 Å²	46.8	20%	0.204	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-51.2	-178.1	-177.8	-87.1	0	0	0	111	A682 F686 Y751 D752 L758 L759	A682-Y755 HydrophobicContact CB-CD2 3.85Å; A682-Y755 HydrophobicContact CB-CE2 4.39Å; F686-Y755 HydrophobicContact CD1-CE2 4.18Å; F686-Y755 HydrophobicContact CE1-CD2 4.29Å; F686-Y755 AromaticContact CE1-CE2 3.55Å; F686-Y755 HydrophobicContact CE1-CE2 3.55Å; F686-Y755 AromaticContact CE1-CZ 3.91Å; F686-Y755 HydrophobicContact CZ-CE2 4.46Å; Y751-Y755 HydrophobicContact CE1-CD2 4.4Å; Y751-Y755 AromaticContact CZ-CD2 3.96Å; Y751-Y755 WeakPolarHBondContact O-CB 3.18Å; Y751-Y755 PolarHBondContact O-N 3.22Å; Y751-Y755 WeakPolarHBondContact OH-CD2 3.36Å; D752-Y755 PolarHBondContact O-N 2.76Å; Y755-L758 PolarHBondContact O-N 3.29Å; Y755-L759 HydrophobicContact CE1-CD2 4.2Å; Y755-L759 VanDerWaalsContact O-CB 3.31Å; Y755-L759 WeakPolarHBondContact O-CB 3.36Å; Y755-L759 PolarHBondContact O-N 3.25Å
756	D	86.6	Confident	81	Confident	94 Å²	94	52.3 Å²	52.3	50%	0.503	27%	0.273	S	S	.	.	H	α-helix	trans	-60.9	-51.4	177.8	-70	-12.5	0	0	0	110.7	D752 L758 L759 T760	D752-D756 WeakPolarHBondContact O-CB 3.46Å; D752-D756 PolarHBondContact O-N 3.42Å; D756-L758 VanDerWaalsContact C-N 3.29Å; D756-L758 PolarHBondContact O-N 2.84Å; D756-L759 PolarHBondContact O-N 3.05Å; D756-L759 VanDerWaalsContact O-N 3.16Å; D756-T760 WeakPolarHBondContact O-CB 3.36Å; D756-T760 PolarHBondContact O-N 3.32Å; D756-T760 PolarHBondContact O-OG1 3.43Å
757	K	87.6	Confident	78.6	Confident	62 Å²	62	52.8 Å²	52.8	27%	0.27	28%	0.278	S	S	.	.	H	α-helix	trans	-64.2	-32.2	-179	-71.4	-76.5	173.5	173	0	113.3	N731 L733 P734 Y748 K753 A761	N731-K757 WeakPolarHBondContact O-CE 3.31Å; N731-K757 PolarHBondContact O-NZ 2.9Å; L733-K757 HydrophobicContact CD2-CB 4.42Å; L733-K757 HydrophobicContact CD2-CD 3.69Å; L733-K757 WeakPolarHBondContact CD2-O 3.37Å; P734-K757 WeakPolarHBondContact CD-O 3.5Å; Y748-K757 HydrophobicContact CE1-CB 4.05Å; Y748-K757 HydrophobicContact CE1-CG 3.91Å; Y748-K757 HydrophobicContact CE2-CB 4.3Å; K753-K757 WeakPolarHBondContact O-CB 3.42Å; K753-K757 WeakPolarHBondContact O-CG 3.29Å; K753-K757 PolarHBondContact O-N 2.8Å; K757-A761 WeakPolarHBondContact O-CB 3.46Å; K757-A761 PolarHBondContact O-N 3.03Å; K757-A761 VanDerWaalsContact O-N 3.15Å
758	L	85.2	Confident	76.4	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-71	-44.6	173.7	-175.8	63.7	0	0	0	110.8	F679 A682 F686 L694 P734 I743 L754 Y755 D756 A761 I762	F679-L758 HydrophobicContact CD2-CD2 4.02Å; F679-L758 HydrophobicContact CE2-CD1 4.4Å; F679-L758 HydrophobicContact CE2-CD2 4.18Å; A682-L758 HydrophobicContact CB-CD2 4.27Å; F686-L758 HydrophobicContact CE2-CD2 4.35Å; F686-L758 HydrophobicContact CZ-CD2 4.32Å; L694-L758 HydrophobicContact CD1-CD1 4.05Å; P734-L758 HydrophobicContact CG-CD1 4.38Å; I743-L758 HydrophobicContact CD1-CD1 3.94Å; L754-L758 HydrophobicContact CD2-CD2 4.32Å; L754-L758 WeakPolarHBondContact O-CB 3.27Å; L754-L758 PolarHBondContact O-N 3.47Å; Y755-L758 PolarHBondContact O-N 3.29Å; D756-L758 VanDerWaalsContact C-N 3.29Å; D756-L758 PolarHBondContact O-N 2.84Å; L758-A761 PolarHBondContact O-N 3.19Å; L758-I762 HydrophobicContact CD1-CD1 4.23Å; L758-I762 HydrophobicContact CG-CD1 3.91Å; L758-I762 VanDerWaalsContact O-CD1 3.27Å; L758-I762 WeakPolarHBondContact O-CD1 3.44Å; L758-I762 WeakPolarHBondContact O-CG1 3.21Å; L758-I762 PolarHBondContact O-N 2.71Å; L758-I762 VanDerWaalsContact O-N 3.07Å
759	L	81.2	Confident	73.6	Confident	24 Å²	24	57.2 Å²	57.2	13%	0.126	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-48.5	177.9	-169.6	67.7	0	0	0	111.4	F686 Y755 D756 A761 I762 E763	F686-L759 HydrophobicContact CE1-CD1 4.35Å; F686-L759 HydrophobicContact CZ-CD1 4.47Å; Y755-L759 HydrophobicContact CE1-CD2 4.2Å; Y755-L759 VanDerWaalsContact O-CB 3.31Å; Y755-L759 WeakPolarHBondContact O-CB 3.36Å; Y755-L759 PolarHBondContact O-N 3.25Å; D756-L759 PolarHBondContact O-N 3.05Å; D756-L759 VanDerWaalsContact O-N 3.16Å; L759-A761 VanDerWaalsContact C-N 3.32Å; L759-A761 PolarHBondContact O-N 3.38Å; L759-I762 PolarHBondContact O-N 3.08Å; L759-I762 VanDerWaalsContact O-N 3.12Å; L759-E763 HydrophobicContact CD1-CG 4.19Å; L759-E763 WeakPolarHBondContact CD1-OE1 3.49Å; L759-E763 HydrophobicContact CG-CG 4.31Å; L759-E763 WeakPolarHBondContact O-CB 3.42Å; L759-E763 WeakPolarHBondContact O-CG 3.46Å; L759-E763 PolarHBondContact O-N 3.05Å
760	T	79.6	Confident	70.7	Confident	46 Å²	46	55.3 Å²	55.3	28%	0.282	30%	0.304	S	S	.	.	H	α-helix	trans	-52.7	-48	173.1	-59.2	0	0	0	0	111.2	L733 D756 I762 E763 E764	L733-T760 HydrophobicContact CD2-CG2 3.83Å; D756-T760 WeakPolarHBondContact O-CB 3.36Å; D756-T760 PolarHBondContact O-N 3.32Å; D756-T760 PolarHBondContact O-OG1 3.43Å; T760-I762 PolarHBondContact O-N 3.2Å; T760-E763 PolarHBondContact O-N 3.15Å; T760-E764 HydrophobicContact CG2-CG 4.03Å; T760-E764 VanDerWaalsContact CG2-OE2 3.24Å; T760-E764 WeakPolarHBondContact CG2-OE2 3.38Å; T760-E764 VanDerWaalsContact O-CB 3.24Å; T760-E764 WeakPolarHBondContact O-CB 3.5Å; T760-E764 WeakPolarHBondContact O-CG 3.38Å; T760-E764 PolarHBondContact O-N 2.83Å
761	A	76.9	Confident	67.7	Low	2 Å²	2	64.7 Å²	64.7	2%	0.017	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-40.9	178.4	0	0	0	0	0	112.9	F697 L733 K757 L758 L759 T765	F697-A761 HydrophobicContact CE1-CB 4.33Å; F697-A761 HydrophobicContact CZ-CB 4.01Å; L733-A761 HydrophobicContact CD2-CB 4.42Å; K757-A761 WeakPolarHBondContact O-CB 3.46Å; K757-A761 PolarHBondContact O-N 3.03Å; K757-A761 VanDerWaalsContact O-N 3.15Å; L758-A761 PolarHBondContact O-N 3.19Å; L759-A761 VanDerWaalsContact C-N 3.32Å; L759-A761 PolarHBondContact O-N 3.38Å; A761-T765 WeakPolarHBondContact O-CB 3.46Å; A761-T765 PolarHBondContact O-N 3.03Å; A761-T765 PolarHBondContact O-OG1 2.97Å
762	I	75	Confident	66.4	Low	12 Å²	12	66.1 Å²	66.1	6%	0.062	35%	0.353	C	S	.	.	H	α-helix	trans	-71.5	-35.5	179.3	-61.5	157.6	0	0	0	112.2	F686 R693 L694 L758 L759 T760	F686-I762 HydrophobicContact CE2-CD1 3.86Å; F686-I762 HydrophobicContact CZ-CD1 4.21Å; R693-I762 HydrophobicContact CB-CG2 3.33Å; R693-I762 HydrophobicContact CG-CG2 4.49Å; L694-I762 HydrophobicContact CB-CD1 3.82Å; L694-I762 HydrophobicContact CB-CG1 4.28Å; L694-I762 HydrophobicContact CD1-CD1 3.98Å; L694-I762 HydrophobicContact CD1-CG1 4.22Å; L694-I762 HydrophobicContact CG-CD1 4.35Å; L758-I762 HydrophobicContact CD1-CD1 4.23Å; L758-I762 HydrophobicContact CG-CD1 3.91Å; L758-I762 VanDerWaalsContact O-CD1 3.27Å; L758-I762 WeakPolarHBondContact O-CD1 3.44Å; L758-I762 WeakPolarHBondContact O-CG1 3.21Å; L758-I762 PolarHBondContact O-N 2.71Å; L758-I762 VanDerWaalsContact O-N 3.07Å; L759-I762 PolarHBondContact O-N 3.08Å; L759-I762 VanDerWaalsContact O-N 3.12Å; T760-I762 PolarHBondContact O-N 3.2Å
763	E	65.9	Low	65.1	Low	88 Å²	88	64.2 Å²	64.2	41%	0.411	34%	0.343	S	S	.	.	H	α-helix	trans	-88.2	-27	-176.1	-67.7	-177.5	170.6	0	0	113	R690 L759 T760	R690-E763 IonicContact CZ-OE1 3.45Å; R690-E763 IonicContact NE-OE1 3.23Å; R690-E763 IonicContact NH2-OE1 2.81Å; R690-E763 PolarHBondContact NH2-OE1 3.05Å; L759-E763 HydrophobicContact CD1-CG 4.19Å; L759-E763 WeakPolarHBondContact CD1-OE1 3.49Å; L759-E763 HydrophobicContact CG-CG 4.31Å; L759-E763 WeakPolarHBondContact O-CB 3.42Å; L759-E763 WeakPolarHBondContact O-CG 3.46Å; L759-E763 PolarHBondContact O-N 3.05Å; T760-E763 PolarHBondContact O-N 3.15Å
764	E	58.7	Low	63.7	Low	129 Å²	129	65.2 Å²	65.2	60%	0.603	35%	0.351	S	S	*	.	H	α-helix	trans	-93	-24.2	179.5	-64.7	-176.3	169.9	0	0	114.3	T760 C766	T760-E764 HydrophobicContact CG2-CG 4.03Å; T760-E764 VanDerWaalsContact CG2-OE2 3.24Å; T760-E764 WeakPolarHBondContact CG2-OE2 3.38Å; T760-E764 VanDerWaalsContact O-CB 3.24Å; T760-E764 WeakPolarHBondContact O-CB 3.5Å; T760-E764 WeakPolarHBondContact O-CG 3.38Å; T760-E764 PolarHBondContact O-N 2.83Å; E764-C766 VanDerWaalsContact C-N 3.34Å; E764-C766 PolarHBondContact O-N 3.41Å
765	T	51.4	Low	62	Low	43 Å²	43	68.9 Å²	68.9	26%	0.264	37%	0.371	S	S	.	.			trans	-84.5	70.9	179.9	56.5	0	0	0	0	114.1	F697 A761 G767	F697-T765 WeakPolarHBondContact CD2-OG1 3.39Å; F697-T765 HydrophobicContact CE2-CG2 4.14Å; F697-T765 WeakPolarHBondContact CE2-OG1 3.45Å; A761-T765 WeakPolarHBondContact O-CB 3.46Å; A761-T765 PolarHBondContact O-N 3.03Å; A761-T765 PolarHBondContact O-OG1 2.97Å; T765-G767 PolarHBondContact O-N 3.18Å
766	C	41.5	Very low	60.3	Low	119 Å²	119	70 Å²	70	80%	0.804	38%	0.381	S	S	*	.	S	Bend	trans	-72.3	46.9	154.9	-72.8	0	0	0	0	111.9	R422 E764	R422-C766 PolarHBondContact NH1-O 3.42Å; E764-C766 VanDerWaalsContact C-N 3.34Å; E764-C766 PolarHBondContact O-N 3.41Å
767	G	39.8	Very low	58.5	Low	10 Å²	10	68.4 Å²	68.4	10%	0.103	37%	0.373	C	S	.	.	S	Bend	trans	150.4	152.3	178.7	0	0	0	0	0	114.2	R422 T765 A769	R422-G767 VanDerWaalsContact CZ-CA 3.5Å; R422-G767 VanDerWaalsContact NH1-CA 3.31Å; T765-G767 PolarHBondContact O-N 3.18Å; G767-A769 PolarHBondContact O-N 3.31Å; G767-A769 VanDerWaalsContact O-N 3.09Å
768	F	44	Very low	56.4	Low	78 Å²	78	68.9 Å²	68.9	34%	0.342	38%	0.381	S	S	.	.	S	Bend	trans	-78	16.8	-175.8	-64.7	-61.2	0	0	0	115.4	E463 T738	E463-F768 HydrophobicContact CB-CE2 3.79Å; E463-F768 HydrophobicContact CB-CZ 4.45Å; E463-F768 HydrophobicContact CG-CE2 4.06Å; E463-F768 WeakPolarHBondContact OE2-CD2 3.46Å; E463-F768 WeakPolarHBondContact OE2-CE2 3.2Å; T738-F768 HydrophobicContact CG2-CD1 4.29Å; T738-F768 HydrophobicContact CG2-CE1 3.33Å; T738-F768 HydrophobicContact CG2-CE2 4.4Å; T738-F768 HydrophobicContact CG2-CZ 3.42Å; T738-F768 VanDerWaalsContact CG2-CZ 3.42Å
769	A	32.3	Very low	54.2	Low	68 Å²	68	74 Å²	74	56%	0.562	41%	0.409	S	S	*	.			trans	-135	81.2	-176.3	0	0	0	0	0	111.6	E452 G767	E452-A769 HydrophobicContact CG-CB 4.4Å; G767-A769 PolarHBondContact O-N 3.31Å; G767-A769 VanDerWaalsContact O-N 3.09Å
770	V	28.9	Very low	52	Low	103 Å²	103	78.2 Å²	78.2	62%	0.624	43%	0.433	S	S	*	.			trans	-128.5	113	154	-169	0	0	0	0	106.1
771	E	29.6	Very low	49.5	Very low	240 Å²	240	81.1 Å²	81.1	100%	1.122	45%	0.447	S	S	*	.			trans	-71.6	0	-178.7	-73.1	-161.2	118.3	0	0	112.8	K735	K735-E771 PolarHBondContact NZ-OXT 2.73Å

Retrieved 771 of 771 residues in 195.5 ms (Link to these results)

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