A0A087YBJ7_POEFO Loading...

E3 ubiquitin-protein ligase

AlphaFold DB , UniProt , Accession A0A087YBJ7, Species POEFO (Poecilia formosa, Amazon molly), Gene SMURF1, Length 727 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	38.6	Very low	247 Å²	247	143.5 Å²	143.5	100%	1.217	80%	0.803	S	S	*	*				0	136.2	0	-72.7	176.9	168.2	0	0	108.6
2	S	36.1	Very low	41.2	Very low	116 Å²	116	137.7 Å²	137.7	81%	0.811	78%	0.778	S	S	*	*			trans	-74.5	144.2	179.2	46.9	0	0	0	0	112.1
3	N	27.6	Very low	44.4	Very low	160 Å²	160	131.5 Å²	131.5	86%	0.856	74%	0.741	S	S	*	*			trans	-127.4	112.4	159.3	-149.6	4.4	0	0	0	109.1	G5	N3-G5 PolarHBondContact O-N 3.3Å
4	P	46.1	Very low	47.6	Very low	120 Å²	120	125.9 Å²	125.9	78%	0.779	70%	0.704	S	S	*	*			trans	-85	99.8	-171.5	32	-32.8	0	0	0	111.8
5	G	30.1	Very low	50.4	Low	75 Å²	75	117.7 Å²	117.7	77%	0.773	66%	0.659	S	S	*	*			trans	-90.3	102	-177.7	0	0	0	0	0	114.8	N3	N3-G5 PolarHBondContact O-N 3.3Å
6	S	29.9	Very low	53.1	Low	100 Å²	100	113.4 Å²	113.4	70%	0.699	63%	0.629	S	S	*	*			trans	56.9	95.2	156.4	-157.2	0	0	0	0	118.6	R8	S6-R8 PolarHBondContact O-N 2.83Å
7	R	38.7	Very low	55.5	Low	243 Å²	243	106.8 Å²	106.8	92%	0.917	59%	0.592	S	S	*	*			trans	-67.2	94.2	156.5	-75.5	-178.6	176.1	170.7	-1.2	109.7
8	R	38.1	Very low	57.6	Low	221 Å²	221	101.9 Å²	101.9	83%	0.834	57%	0.566	S	S	*	*			trans	-77	118.1	158.6	-82.7	-176.6	168	175.4	-3	108.8	S6 G10	S6-R8 PolarHBondContact O-N 2.83Å; R8-G10 PolarHBondContact O-N 2.84Å
9	N	38.3	Very low	59.4	Low	174 Å²	174	96.5 Å²	96.5	93%	0.93	54%	0.536	S	S	*	.			trans	-69.8	67.4	168.9	-85.3	-5.2	0	0	0	110.8
10	G	47.1	Very low	60.9	Low	46 Å²	46	94.1 Å²	94.1	47%	0.474	52%	0.522	S	S	.	.			trans	-114.2	135.4	162.7	0	0	0	0	0	108.2	R8 S12	R8-G10 PolarHBondContact O-N 2.84Å; G10-S12 PolarHBondContact O-N 3.4Å
11	S	59.8	Low	62.4	Low	77 Å²	77	90.2 Å²	90.2	54%	0.538	50%	0.501	S	S	.	.			trans	-58.8	97.4	172	55.6	0	0	0	0	109.9	K72	S11-K72 WeakPolarHBondContact OG-CE 3.47Å
12	S	69.9	Low	65.2	Low	73 Å²	73	78.5 Å²	78.5	51%	0.51	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-82.1	124.1	171.8	48.4	0	0	0	0	109	G10 I70	G10-S12 PolarHBondContact O-N 3.4Å; S12-I70 CarbonylContact C-O 3.57Å; S12-I70 WeakPolarHBondContact CA-O 3.38Å
13	I	82.9	Confident	67.8	Low	57 Å²	57	78.4 Å²	78.4	29%	0.292	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.7	-179.9	-57.2	174.9	0	0	0	107.2	I15 I70 T139	I13-I15 HydrophobicContact CB-CG1 4.44Å; I13-I15 HydrophobicContact CG2-CD1 4.17Å; I13-I15 HydrophobicContact CG2-CG1 3.75Å; I13-I70 PolarHBondContact N-O 3.47Å; I13-I70 PolarHBondContact O-N 3.32Å; I13-T139 HydrophobicContact CG2-CG2 3.94Å
14	K	88.6	Confident	70.6	Confident	53 Å²	53	74.4 Å²	74.4	23%	0.23	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	117.5	172	-170.4	180	180	-174.4	0	108.6	D67 L68 Y69 R140	K14-D67 VanDerWaalsContact CE-CG 3.5Å; K14-D67 WeakPolarHBondContact CE-OD2 3.47Å; K14-D67 IonicContact NZ-OD2 2.85Å; K14-D67 PolarHBondContact NZ-OD2 2.81Å; K14-L68 WeakPolarHBondContact CA-O 3.31Å; K14-Y69 HydrophobicContact CB-CD1 4.23Å; K14-Y69 HydrophobicContact CB-CE1 4.12Å; K14-Y69 HydrophobicContact CD-CE1 3.83Å; K14-Y69 HydrophobicContact CG-CD1 4.2Å; K14-Y69 HydrophobicContact CG-CE1 3.83Å; K14-R140 HydrophobicContact CB-CB 4.42Å; K14-R140 HydrophobicContact CD-CB 4.34Å; K14-R140 HydrophobicContact CG-CB 4.32Å; K14-R140 PolarHBondContact O-N 3.36Å
15	I	90.5	Very high	72.5	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.015	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.1	179.6	-57.4	-167.9	0	0	0	109.6	I13 L17 L68 I70 I105 K109 L137 Q138	I13-I15 HydrophobicContact CB-CG1 4.44Å; I13-I15 HydrophobicContact CG2-CD1 4.17Å; I13-I15 HydrophobicContact CG2-CG1 3.75Å; I15-L17 PolarHBondContact O-N 2.8Å; I15-L68 PolarHBondContact N-O 3.43Å; I15-L68 PolarHBondContact O-N 3.36Å; I15-I70 HydrophobicContact CB-CD1 4.11Å; I15-I70 HydrophobicContact CD1-CD1 4.17Å; I15-I70 HydrophobicContact CG1-CD1 4.32Å; I15-I105 HydrophobicContact CD1-CG2 3.78Å; I15-K109 HydrophobicContact CD1-CB 4.5Å; I15-L137 HydrophobicContact CG2-CB 3.93Å; I15-L137 HydrophobicContact CG2-CD2 3.73Å; I15-L137 HydrophobicContact CG2-CG 4.47Å; I15-Q138 CarbonylContact C-O 3.58Å; I15-Q138 WeakPolarHBondContact CA-O 3.27Å
16	R	92.6	Very high	75	Confident	50 Å²	50	65.7 Å²	65.7	19%	0.189	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	110	168.3	175.3	164	-70.2	-151.7	-12.4	109	H65 Y66 D67 L137 Q138	R16-H65 HydrophobicContact CG-CB 4.16Å; R16-H65 VanDerWaalsContact CZ-CD2 3.44Å; R16-H65 PolarHBondContact NH1-NE2 3.22Å; R16-Y66 CarbonylContact C-O 3.56Å; R16-Y66 WeakPolarHBondContact CA-O 3.44Å; R16-D67 IonicContact CZ-OD1 2.84Å; R16-D67 VanDerWaalsContact CZ-OD1 3.25Å; R16-D67 IonicContact NE-OD1 2.75Å; R16-D67 PolarHBondContact NE-OD1 3.41Å; R16-D67 IonicContact NH2-OD1 3.39Å; R16-D67 PolarHBondContact NH2-OD1 2.81Å; R16-D67 IonicContact NH2-OD2 2.77Å; R16-L137 WeakPolarHBondContact O-CA 3.35Å; R16-Q138 HydrophobicContact CB-CB 4.41Å; R16-Q138 PolarHBondContact N-O 3.29Å; R16-Q138 PolarHBondContact O-N 2.67Å
17	L	93.8	Very high	77.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.8	169.1	172.1	72.9	0	0	0	109.1	I15 V19 V40 H65 Y66 L68 I76 I78 V135 S136 L137	I15-L17 PolarHBondContact O-N 2.8Å; L17-V19 HydrophobicContact CD2-CG2 4.13Å; L17-V19 HydrophobicContact CG-CG2 4.2Å; L17-V40 HydrophobicContact CD2-CB 4.2Å; L17-V40 HydrophobicContact CD2-CG1 3.45Å; L17-V40 VanDerWaalsContact CD2-CG1 3.45Å; L17-V40 HydrophobicContact CD2-CG2 3.64Å; L17-H65 CarbonylContact O-C 3.5Å; L17-H65 VanDerWaalsContact O-CA 3.26Å; L17-H65 WeakPolarHBondContact O-CA 3.41Å; L17-Y66 PolarHBondContact N-O 3.43Å; L17-Y66 PolarHBondContact O-N 3.26Å; L17-L68 HydrophobicContact CB-CD1 3.72Å; L17-L68 HydrophobicContact CB-CG 4.26Å; L17-L68 HydrophobicContact CD2-CD1 3.88Å; L17-L68 HydrophobicContact CG-CD1 4.45Å; L17-I76 HydrophobicContact CD2-CG2 4.31Å; L17-I78 HydrophobicContact CD1-CD1 3.81Å; L17-I78 HydrophobicContact CD2-CD1 3.67Å; L17-I78 HydrophobicContact CD2-CG1 4.31Å; L17-I78 HydrophobicContact CG-CD1 4.35Å; L17-V135 HydrophobicContact CD1-CB 4.14Å; L17-S136 CarbonylContact C-O 3.53Å; L17-S136 WeakPolarHBondContact CA-O 3.49Å; L17-L137 HydrophobicContact CB-CD2 4.17Å; L17-L137 HydrophobicContact CD1-CD2 3.71Å; L17-L137 HydrophobicContact CD1-CG 4.2Å
18	T	93.3	Very high	78.9	Confident	19 Å²	19	57.2 Å²	57.2	12%	0.117	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.4	168.5	-57	0	0	0	0	109.5	Q64 H65 Y113 V135 S136	T18-Q64 CarbonylContact C-O 3.6Å; T18-Q64 WeakPolarHBondContact CA-O 3.42Å; T18-H65 HydrophobicContact CG2-CB 4.5Å; T18-Y113 HydrophobicContact CG2-CE1 4.2Å; T18-V135 CarbonylContact O-C 3.52Å; T18-V135 WeakPolarHBondContact O-CA 3.35Å; T18-S136 PolarHBondContact N-O 2.86Å; T18-S136 PolarHBondContact O-N 3.22Å
19	V	92.7	Very high	80.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	102.4	171.7	-175.6	0	0	0	0	107.9	L17 A38 V40 T51 W62 N63 Q64 Y66 I133 V135	L17-V19 HydrophobicContact CD2-CG2 4.13Å; L17-V19 HydrophobicContact CG-CG2 4.2Å; V19-A38 HydrophobicContact CG1-CB 4.05Å; V19-V40 HydrophobicContact CG2-CG2 3.99Å; V19-T51 HydrophobicContact CB-CG2 4.38Å; V19-T51 HydrophobicContact CG1-CG2 4.37Å; V19-W62 HydrophobicContact CG1-CE3 3.82Å; V19-W62 HydrophobicContact CG1-CZ3 4.18Å; V19-N63 PolarHBondContact O-N 3.12Å; V19-Q64 PolarHBondContact N-O 2.88Å; V19-Q64 PolarHBondContact O-N 2.96Å; V19-Q64 VanDerWaalsContact O-N 3.12Å; V19-Y66 HydrophobicContact CG2-CE2 4.45Å; V19-I133 HydrophobicContact CG1-CD1 4.07Å; V19-V135 HydrophobicContact CG2-CG1 4.41Å
20	L	90.1	Very high	81.4	Confident	48 Å²	48	49.3 Å²	49.3	25%	0.251	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-60	-170.7	-176.7	66.5	0	0	0	111.5	W62 N63 Y113 V134	L20-W62 PolarHBondContact O-N 3.41Å; L20-N63 HydrophobicContact CD1-CB 4.07Å; L20-N63 WeakPolarHBondContact CD1-OD1 3.49Å; L20-N63 PolarHBondContact O-N 2.86Å; L20-Y113 HydrophobicContact CB-CD1 4.24Å; L20-Y113 HydrophobicContact CB-CE1 3.97Å; L20-Y113 HydrophobicContact CD1-CE1 4.35Å; L20-Y113 HydrophobicContact CD2-CD1 3.98Å; L20-Y113 HydrophobicContact CD2-CE1 3.93Å; L20-Y113 HydrophobicContact CG-CE1 4.31Å; L20-V134 HydrophobicContact CB-CB 4.3Å; L20-V134 HydrophobicContact CB-CG1 4.36Å; L20-V134 WeakPolarHBondContact CB-O 3.4Å; L20-V134 HydrophobicContact CD2-CB 4.49Å; L20-V134 HydrophobicContact CD2-CG1 4Å; L20-V134 PolarHBondContact N-O 2.85Å
21	C	91.2	Very high	82.3	Confident	13 Å²	13	56.1 Å²	56.1	9%	0.088	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	168.2	-177.5	60.9	0	0	0	0	111.6	P60 K61 I133 V134	C21-P60 CarbonylContact C-O 3.48Å; C21-P60 WeakPolarHBondContact CA-O 3.35Å; C21-P60 WeakPolarHBondContact CB-O 3.37Å; C21-K61 HydrophobicContact CB-CB 4.47Å; C21-K61 HydrophobicContact CB-CG 4.25Å; C21-I133 WeakPolarHBondContact O-CG1 3.35Å; C21-V134 PolarHBondContact O-N 3.12Å; C21-V134 VanDerWaalsContact SG-CG2 3.57Å
22	A	91.5	Very high	82.9	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.008	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	159.9	158.8	0	0	0	0	0	110.1	L25 D59 P60 W62 I80 Q132 I133	A22-L25 HydrophobicContact CB-CD1 4.3Å; A22-L25 HydrophobicContact CB-CD2 4.08Å; A22-L25 HydrophobicContact CB-CG 4.28Å; A22-D59 CarbonylContact O-C 3.58Å; A22-D59 VanDerWaalsContact O-C 3.3Å; A22-D59 VanDerWaalsContact O-CA 3.23Å; A22-D59 WeakPolarHBondContact O-CA 3.47Å; A22-P60 HydrophobicContact CB-CG 3.95Å; A22-P60 PolarHBondContact N-O 3.37Å; A22-P60 WeakPolarHBondContact O-CD 3.41Å; A22-W62 HydrophobicContact CB-CH2 3.94Å; A22-W62 HydrophobicContact CB-CZ3 3.83Å; A22-I80 HydrophobicContact CB-CD1 3.56Å; A22-Q132 CarbonylContact C-O 3.34Å; A22-Q132 WeakPolarHBondContact CA-O 3.36Å; A22-Q132 WeakPolarHBondContact CB-O 3.46Å; A22-I133 HydrophobicContact CB-CG1 4.47Å
23	K	90.3	Very high	83.5	Confident	113 Å²	113	61.2 Å²	61.2	49%	0.491	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.9	-179.8	-68.5	-166.5	175.2	-167.3	0	112.3	L25 D59 G131 Q132	K23-L25 VanDerWaalsContact C-N 3.28Å; K23-L25 PolarHBondContact O-N 3.02Å; K23-D59 WeakPolarHBondContact CA-OD1 3.37Å; K23-D59 WeakPolarHBondContact CB-OD1 3.46Å; K23-G131 CarbonylContact O-C 3.53Å; K23-G131 WeakPolarHBondContact O-CA 3.36Å; K23-Q132 PolarHBondContact N-O 2.84Å; K23-Q132 PolarHBondContact O-N 3.29Å
24	N	86.8	Confident	83.5	Confident	77 Å²	77	58.7 Å²	58.7	41%	0.412	27%	0.266	S	S	.	.	S	Bend	trans	53.1	40.9	174.1	-165.2	7.9	0	0	0	113.4	L58 D59 R130 G131	N24-L58 PolarHBondContact N-O 2.7Å; N24-D59 PolarHBondContact N-OD1 3.17Å; N24-R130 CarbonylContact O-C 3.59Å; N24-G131 WeakPolarHBondContact O-CA 3.37Å; N24-G131 PolarHBondContact O-N 3.24Å
25	L	86.4	Confident	83.5	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	26%	0.259	C	S	.	.			trans	-61.6	150.5	179	-68.1	175.1	0	0	0	112	A22 K23 K27 P36 L58 P60 I80 L95 L118 R130	A22-L25 HydrophobicContact CB-CD1 4.3Å; A22-L25 HydrophobicContact CB-CD2 4.08Å; A22-L25 HydrophobicContact CB-CG 4.28Å; K23-L25 VanDerWaalsContact C-N 3.28Å; K23-L25 PolarHBondContact O-N 3.02Å; L25-K27 PolarHBondContact O-N 3.24Å; L25-K27 VanDerWaalsContact O-N 3.15Å; L25-P36 HydrophobicContact CD1-CB 3.76Å; L25-P36 HydrophobicContact CD1-CG 4.04Å; L25-L58 HydrophobicContact CB-CB 4.35Å; L25-L58 VanDerWaalsContact CB-O 3.31Å; L25-L58 WeakPolarHBondContact CB-O 3.2Å; L25-L58 VanDerWaalsContact CG-O 3.22Å; L25-L58 WeakPolarHBondContact CG-O 3.47Å; L25-L58 PolarHBondContact N-O 3.33Å; L25-P60 HydrophobicContact CD1-CG 3.86Å; L25-I80 HydrophobicContact CD1-CG2 4.17Å; L25-I80 HydrophobicContact CD2-CD1 3.96Å; L25-I80 HydrophobicContact CD2-CG2 4.34Å; L25-L95 HydrophobicContact CD1-CD1 4.17Å; L25-L118 HydrophobicContact CD2-CD1 3.39Å; L25-R130 WeakPolarHBondContact CA-O 3.49Å
26	A	82.4	Confident	83.5	Confident	10 Å²	10	56.6 Å²	56.6	8%	0.083	26%	0.258	C	S	.	.			trans	-62.4	114.9	178.2	0	0	0	0	0	112.8	K28 A128 R130	A26-K28 PolarHBondContact O-N 2.91Å; A26-A128 WeakPolarHBondContact CB-O 3.28Å; A26-R130 HydrophobicContact CB-CB 4.16Å; A26-R130 PolarHBondContact N-O 3.21Å
27	K	78.8	Confident	83.5	Confident	108 Å²	108	55.1 Å²	55.1	47%	0.47	25%	0.253	S	S	.	.			trans	-73	89.6	172.9	-174.3	179.7	172.9	-173.4	0	110.6	L25 D29 F30 L33 L58	L25-K27 PolarHBondContact O-N 3.24Å; L25-K27 VanDerWaalsContact O-N 3.15Å; K27-D29 VanDerWaalsContact C-N 3.33Å; K27-D29 WeakPolarHBondContact CE-O 3.44Å; K27-D29 WeakPolarHBondContact CG-O 3.35Å; K27-D29 PolarHBondContact O-N 2.86Å; K27-F30 WeakPolarHBondContact CE-O 3.16Å; K27-F30 PolarHBondContact NZ-O 2.83Å; K27-L33 HydrophobicContact CD-CD2 4.18Å; K27-L33 HydrophobicContact CG-CD2 4.42Å; K27-L58 HydrophobicContact CB-CD1 4.12Å; K27-L58 HydrophobicContact CB-CD2 4.03Å
28	K	70.9	Confident	83.5	Confident	57 Å²	57	55.1 Å²	55.1	25%	0.248	25%	0.253	C	S	.	.			trans	-75.9	-6.9	-179.5	-69.3	-164.1	175.4	-173.6	0	116	A26 F94 L95 D127	A26-K28 PolarHBondContact O-N 2.91Å; K28-F94 WeakPolarHBondContact CE-O 3.47Å; K28-F94 PolarHBondContact NZ-O 3.33Å; K28-L95 HydrophobicContact CD-CD2 4.31Å; K28-L95 HydrophobicContact CG-CD2 4.37Å; K28-D127 IonicContact NZ-OD1 4Å; K28-D127 PolarHBondContact NZ-OD1 3.11Å; K28-D127 IonicContact NZ-OD2 2.68Å; K28-D127 PolarHBondContact NZ-OD2 3.29Å
29	D	67.3	Low	83.5	Confident	60 Å²	60	57.8 Å²	57.8	32%	0.321	26%	0.263	S	S	.	.			trans	-131.6	129.8	175.8	-67.3	-58	0	0	0	110.2	K27 F31 K85	K27-D29 VanDerWaalsContact C-N 3.33Å; K27-D29 WeakPolarHBondContact CE-O 3.44Å; K27-D29 WeakPolarHBondContact CG-O 3.35Å; K27-D29 PolarHBondContact O-N 2.86Å; D29-F31 VanDerWaalsContact C-N 3.33Å; D29-F31 PolarHBondContact O-N 3.38Å; D29-K85 IonicContact OD1-NZ 3.95Å; D29-K85 PolarHBondContact OD1-NZ 3.34Å; D29-K85 WeakPolarHBondContact OD2-CE 3.38Å; D29-K85 IonicContact OD2-NZ 3.43Å; D29-K85 PolarHBondContact OD2-NZ 2.95Å
30	F	61.9	Low	83.5	Confident	169 Å²	169	57.8 Å²	57.8	74%	0.741	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-39	-177	-163.7	-97.4	0	0	0	112.7	K27	K27-F30 WeakPolarHBondContact CE-O 3.16Å; K27-F30 PolarHBondContact NZ-O 2.83Å
31	F	65.8	Low	83.6	Confident	188 Å²	188	57.4 Å²	57.4	83%	0.825	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-5.7	-171.8	-62.4	-76.7	0	0	0	115.6	D29	D29-F31 VanDerWaalsContact C-N 3.33Å; D29-F31 PolarHBondContact O-N 3.38Å
32	R	74.1	Confident	83.6	Confident	192 Å²	192	56.8 Å²	56.8	73%	0.725	26%	0.258	S	S	*	.			trans	-145.5	143.2	-176.6	-65	-173.2	-178.9	-177.7	-0	111.8
33	L	81.8	Confident	83.1	Confident	65 Å²	65	59.8 Å²	59.8	34%	0.34	27%	0.274	S	S	.	.			trans	-83.7	149.6	172.7	-61	-177.7	0	0	0	110.8	K27 S56 L58	K27-L33 HydrophobicContact CD-CD2 4.18Å; K27-L33 HydrophobicContact CG-CD2 4.42Å; L33-S56 VanDerWaalsContact CB-C 3.48Å; L33-S56 VanDerWaalsContact CD1-O 3.29Å; L33-S56 WeakPolarHBondContact CD1-O 3.34Å; L33-L58 HydrophobicContact CD2-CD1 4.28Å; L33-L58 HydrophobicContact CD2-CD2 4.13Å; L33-L58 HydrophobicContact CD2-CG 4.02Å
34	P	83.4	Confident	82.3	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.032	28%	0.276	C	S	.	.			trans	-73.1	165.7	179.7	31.2	-33.2	0	0	0	111.9	P36 S56 T57 L58 N82 L95	P34-P36 WeakPolarHBondContact O-CD 3.45Å; P34-S56 CarbonylContact O-C 3.57Å; P34-S56 VanDerWaalsContact O-CA 3.26Å; P34-S56 WeakPolarHBondContact O-CA 3.38Å; P34-S56 PolarHBondContact O-N 2.89Å; P34-S56 VanDerWaalsContact O-N 3.13Å; P34-T57 WeakPolarHBondContact CG-O 3.33Å; P34-T57 PolarHBondContact O-N 2.72Å; P34-L58 VanDerWaalsContact CD-CD2 3.47Å; P34-L58 HydrophobicContact CG-CD2 3.78Å; P34-N82 HydrophobicContact CB-CB 4.06Å; P34-N82 WeakPolarHBondContact CB-ND2 3.16Å; P34-L95 HydrophobicContact CB-CD1 4.16Å; P34-L95 HydrophobicContact CG-CD1 4.31Å
35	D	88.2	Confident	81.8	Confident	12 Å²	12	56 Å²	56	6%	0.064	28%	0.276	C	S	.	.			trans	-108.7	79.2	170.2	-73.1	4.8	0	0	0	109.3	T53 V54 K55 S56 N82 H83 K84	D35-T53 HydrophobicContact CB-CG2 3.77Å; D35-V54 CarbonylContact C-O 3.57Å; D35-V54 WeakPolarHBondContact CA-O 3.13Å; D35-K55 WeakPolarHBondContact OD1-CA 3.36Å; D35-S56 PolarHBondContact OD1-N 2.98Å; D35-N82 PolarHBondContact N-OD1 3.14Å; D35-N82 CarbonylContact O-C 3.59Å; D35-N82 WeakPolarHBondContact O-CA 3.48Å; D35-H83 HydrophobicContact CB-CB 4.19Å; D35-H83 PolarHBondContact O-N 2.81Å; D35-K84 HydrophobicContact CB-CD 4.17Å; D35-K84 HydrophobicContact CB-CG 4.16Å; D35-K84 VanDerWaalsContact CG-CD 3.46Å; D35-K84 WeakPolarHBondContact OD1-CE 3.43Å; D35-K84 IonicContact OD1-NZ 2.76Å; D35-K84 PolarHBondContact OD1-NZ 2.65Å; D35-K84 VanDerWaalsContact OD2-CD 3.3Å; D35-K84 WeakPolarHBondContact OD2-CD 3.38Å; D35-K84 WeakPolarHBondContact OD2-CE 3.45Å; D35-K84 WeakPolarHBondContact OD2-CG 3.37Å; D35-K84 IonicContact OD2-NZ 2.75Å; D35-K84 PolarHBondContact OD2-NZ 3.07Å
36	P	90.2	Very high	81.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	140	-174.6	29.6	-39	0	0	0	114.3	L25 P34 V54 T57 P60 W62 I80 W81 L95	L25-P36 HydrophobicContact CD1-CB 3.76Å; L25-P36 HydrophobicContact CD1-CG 4.04Å; P34-P36 WeakPolarHBondContact O-CD 3.45Å; P36-V54 VanDerWaalsContact CD-O 3.25Å; P36-V54 WeakPolarHBondContact CD-O 3.43Å; P36-V54 PolarHBondContact O-N 3.16Å; P36-T57 HydrophobicContact CG-CG2 3.88Å; P36-P60 HydrophobicContact CB-CB 4.38Å; P36-P60 HydrophobicContact CB-CG 3.94Å; P36-P60 HydrophobicContact CG-CB 3.68Å; P36-P60 HydrophobicContact CG-CG 3.57Å; P36-W62 HydrophobicContact CB-CZ2 4.23Å; P36-I80 HydrophobicContact CB-CG2 4.05Å; P36-W81 CarbonylContact C-O 3.16Å; P36-W81 VanDerWaalsContact CA-O 3.29Å; P36-W81 WeakPolarHBondContact CA-O 3.12Å; P36-L95 HydrophobicContact CB-CD1 4.03Å
37	F	92.6	Very high	81.5	Confident	18 Å²	18	60.2 Å²	60.2	8%	0.079	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	153.8	161.4	74.3	-84.7	0	0	0	109.8	K39 I80 W81 H83 I86	F37-K39 HydrophobicContact CE2-CB 4.32Å; F37-I80 WeakPolarHBondContact O-CA 3.27Å; F37-W81 HydrophobicContact CD1-CB 4.03Å; F37-W81 WeakPolarHBondContact CD1-O 3.5Å; F37-W81 HydrophobicContact CE1-CB 3.48Å; F37-W81 VanDerWaalsContact CE1-CB 3.48Å; F37-W81 HydrophobicContact CE2-CB 4.25Å; F37-W81 HydrophobicContact CZ-CB 3.61Å; F37-W81 HydrophobicContact CZ-CG 4.19Å; F37-W81 PolarHBondContact N-O 3.46Å; F37-W81 PolarHBondContact O-N 3.15Å; F37-H83 HydrophobicContact CD1-CB 4.08Å; F37-H83 HydrophobicContact CE1-CB 4.28Å; F37-I86 HydrophobicContact CE1-CD1 4.1Å; F37-I86 HydrophobicContact CZ-CD1 3.71Å
38	A	93.6	Very high	82	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.9	175.4	0	0	0	0	0	110.8	V19 S50 T51 W62 I78 S79 I80	V19-A38 HydrophobicContact CG1-CB 4.05Å; A38-S50 CarbonylContact O-C 3.44Å; A38-S50 VanDerWaalsContact O-CA 3.29Å; A38-S50 WeakPolarHBondContact O-CA 3.15Å; A38-T51 HydrophobicContact CB-CG2 3.93Å; A38-T51 PolarHBondContact N-OG1 3.45Å; A38-T51 PolarHBondContact O-N 2.83Å; A38-T51 PolarHBondContact O-OG1 3.3Å; A38-W62 HydrophobicContact CB-CE3 4.39Å; A38-W62 HydrophobicContact CB-CH2 3.95Å; A38-W62 HydrophobicContact CB-CZ2 4.2Å; A38-W62 HydrophobicContact CB-CZ3 4.06Å; A38-I78 HydrophobicContact CB-CG2 4.46Å; A38-S79 CarbonylContact C-O 3.53Å; A38-S79 WeakPolarHBondContact CA-O 3.34Å; A38-I80 HydrophobicContact CB-CG1 4.44Å
39	K	92.9	Very high	83	Confident	76 Å²	76	58.4 Å²	58.4	33%	0.33	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.5	176.2	-177.6	-175.4	-178.8	-175.7	0	109.3	F37 V41 C48 H49 I78 S79	F37-K39 HydrophobicContact CE2-CB 4.32Å; K39-V41 HydrophobicContact CG-CG2 4.36Å; K39-C48 WeakPolarHBondContact CE-SG 3.48Å; K39-H49 CarbonylContact C-O 3.52Å; K39-H49 WeakPolarHBondContact CA-O 3.41Å; K39-I78 WeakPolarHBondContact O-CA 3.42Å; K39-S79 PolarHBondContact N-O 2.88Å; K39-S79 PolarHBondContact O-N 3.25Å; K39-S79 PolarHBondContact O-OG 2.84Å
40	V	94.1	Very high	84.1	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.6	177.8	-179.5	0	0	0	0	108.8	L17 V19 C48 H49 Y66 L68 I76 T77 I78	L17-V40 HydrophobicContact CD2-CB 4.2Å; L17-V40 HydrophobicContact CD2-CG1 3.45Å; L17-V40 VanDerWaalsContact CD2-CG1 3.45Å; L17-V40 HydrophobicContact CD2-CG2 3.64Å; V19-V40 HydrophobicContact CG2-CG2 3.99Å; V40-C48 CarbonylContact O-C 3.49Å; V40-C48 WeakPolarHBondContact O-CA 3.49Å; V40-H49 HydrophobicContact CB-CB 4.4Å; V40-H49 PolarHBondContact N-O 3Å; V40-H49 PolarHBondContact O-N 3.02Å; V40-Y66 HydrophobicContact CG2-CD2 4.19Å; V40-Y66 HydrophobicContact CG2-CE2 4.27Å; V40-L68 HydrophobicContact CG1-CD1 4.12Å; V40-L68 HydrophobicContact CG1-CD2 4.44Å; V40-I76 HydrophobicContact CG1-CG2 3.9Å; V40-T77 CarbonylContact C-O 3.53Å; V40-I78 HydrophobicContact CG1-CG1 4.47Å; V40-I78 HydrophobicContact CG2-CG1 4.27Å; V40-I78 HydrophobicContact CG2-CG2 4.18Å
41	V	92.1	Very high	85.6	Confident	39 Å²	39	50.9 Å²	50.9	24%	0.236	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.7	174	-178.1	0	0	0	0	109.2	K39 Q47 I76 T77	K39-V41 HydrophobicContact CG-CG2 4.36Å; V41-Q47 CarbonylContact C-O 3.5Å; V41-Q47 VanDerWaalsContact CA-O 3.31Å; V41-Q47 WeakPolarHBondContact CA-O 3.16Å; V41-I76 CarbonylContact O-C 3.58Å; V41-I76 WeakPolarHBondContact O-CA 3.16Å; V41-T77 PolarHBondContact N-O 2.89Å; V41-T77 PolarHBondContact O-N 2.82Å
42	V	91.5	Very high	86.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	107.7	171	-172.9	0	0	0	0	108.8	G44 S45 G46 Q47 L68 D74 S75	V42-G44 PolarHBondContact O-N 2.87Å; V42-G44 VanDerWaalsContact O-N 3.16Å; V42-S45 WeakPolarHBondContact CB-OG 3.41Å; V42-S45 WeakPolarHBondContact CG1-OG 3.39Å; V42-S45 PolarHBondContact O-N 2.87Å; V42-G46 PolarHBondContact O-N 2.92Å; V42-Q47 HydrophobicContact CB-CB 4.19Å; V42-Q47 HydrophobicContact CG2-CB 4.05Å; V42-Q47 PolarHBondContact N-O 3.44Å; V42-L68 HydrophobicContact CG2-CB 4.4Å; V42-L68 HydrophobicContact CG2-CD1 4Å; V42-L68 HydrophobicContact CG2-CD2 4.11Å; V42-L68 HydrophobicContact CG2-CG 4.41Å; V42-D74 HydrophobicContact CG1-CB 4.14Å; V42-S75 CarbonylContact C-O 3.58Å; V42-S75 WeakPolarHBondContact CA-O 3.25Å
43	D	80.9	Confident	87.5	Confident	64 Å²	64	40.6 Å²	40.6	34%	0.342	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.7	-166.1	-62.3	-12.7	0	0	0	113.3	S75 T77 R99	D43-S75 PolarHBondContact N-O 2.88Å; D43-S75 PolarHBondContact OD2-OG 3.1Å; D43-T77 PolarHBondContact OD1-OG1 3.36Å; D43-T77 PolarHBondContact OD2-OG1 2.89Å; D43-R99 IonicContact OD2-CZ 3.66Å; D43-R99 IonicContact OD2-NE 2.67Å; D43-R99 PolarHBondContact OD2-NE 3.28Å; D43-R99 IonicContact OD2-NH2 3.89Å; D43-R99 PolarHBondContact OD2-NH2 3.46Å
44	G	72.3	Confident	87.8	Confident	53 Å²	53	39.7 Å²	39.7	55%	0.546	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-21.9	-178.6	0	0	0	0	0	115.5	V42	V42-G44 PolarHBondContact O-N 2.87Å; V42-G44 VanDerWaalsContact O-N 3.16Å
45	S	76	Confident	88	Confident	57 Å²	57	47.1 Å²	47.1	40%	0.399	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-5	-174.5	52.6	0	0	0	0	114.3	V42 Q47	V42-S45 WeakPolarHBondContact CB-OG 3.41Å; V42-S45 WeakPolarHBondContact CG1-OG 3.39Å; V42-S45 PolarHBondContact O-N 2.87Å; S45-Q47 PolarHBondContact O-N 2.82Å; S45-Q47 PolarHBondContact OG-NE2 3.37Å
46	G	75.8	Confident	87.9	Confident	60 Å²	60	49.8 Å²	49.8	62%	0.619	30%	0.301	S	S	*	.			trans	72	4.4	176.3	0	0	0	0	0	115.3	V42 C48	V42-G46 PolarHBondContact O-N 2.92Å; G46-C48 PolarHBondContact O-N 2.87Å
47	Q	87.3	Confident	87.7	Confident	41 Å²	41	51.1 Å²	51.1	19%	0.192	31%	0.31	C	S	.	.			trans	-58.8	132.3	174.2	-74.6	163.7	100.2	0	0	109.7	V41 V42 S45 Y69	V41-Q47 CarbonylContact C-O 3.5Å; V41-Q47 VanDerWaalsContact CA-O 3.31Å; V41-Q47 WeakPolarHBondContact CA-O 3.16Å; V42-Q47 HydrophobicContact CB-CB 4.19Å; V42-Q47 HydrophobicContact CG2-CB 4.05Å; V42-Q47 PolarHBondContact N-O 3.44Å; S45-Q47 PolarHBondContact O-N 2.82Å; S45-Q47 PolarHBondContact OG-NE2 3.37Å; Q47-Y69 PolarHBondContact NE2-O 3.22Å
48	C	89.5	Confident	87.4	Confident	64 Å²	64	52 Å²	52	43%	0.432	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	124.5	-176.3	179.1	0	0	0	0	110	K39 V40 G46	K39-C48 WeakPolarHBondContact CE-SG 3.48Å; V40-C48 CarbonylContact O-C 3.49Å; V40-C48 WeakPolarHBondContact O-CA 3.49Å; G46-C48 PolarHBondContact O-N 2.87Å
49	H	91.3	Very high	87.2	Confident	63 Å²	63	55.9 Å²	55.9	29%	0.292	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	154.6	178.6	-57.8	-80.8	0	0	0	110.2	K39 V40 Y66	K39-H49 CarbonylContact C-O 3.52Å; K39-H49 WeakPolarHBondContact CA-O 3.41Å; V40-H49 HydrophobicContact CB-CB 4.4Å; V40-H49 PolarHBondContact N-O 3Å; V40-H49 PolarHBondContact O-N 3.02Å; H49-Y66 HydrophobicContact CB-CD1 3.56Å; H49-Y66 HydrophobicContact CB-CD2 4.27Å; H49-Y66 HydrophobicContact CB-CE1 3.71Å; H49-Y66 HydrophobicContact CB-CE2 4.38Å; H49-Y66 HydrophobicContact CB-CG 3.86Å; H49-Y66 AromaticContact CG-CD1 3.66Å; H49-Y66 AromaticContact CG-CG 3.98Å; H49-Y66 AromaticContact ND1-CD1 3.83Å
50	S	91.6	Very high	87	Confident	62 Å²	62	52.3 Å²	52.3	43%	0.434	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142	177.1	-60.3	0	0	0	0	109.8	A38 Y66	A38-S50 CarbonylContact O-C 3.44Å; A38-S50 VanDerWaalsContact O-CA 3.29Å; A38-S50 WeakPolarHBondContact O-CA 3.15Å; S50-Y66 PolarHBondContact O-OH 2.9Å
51	T	93.3	Very high	86.8	Confident	10 Å²	10	58.6 Å²	58.6	6%	0.061	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-78.8	167.2	172.2	68.8	0	0	0	0	111.3	V19 A38 W62 Q64 Y66	V19-T51 HydrophobicContact CB-CG2 4.38Å; V19-T51 HydrophobicContact CG1-CG2 4.37Å; A38-T51 HydrophobicContact CB-CG2 3.93Å; A38-T51 PolarHBondContact N-OG1 3.45Å; A38-T51 PolarHBondContact O-N 2.83Å; A38-T51 PolarHBondContact O-OG1 3.3Å; T51-W62 HydrophobicContact CG2-CB 4.16Å; T51-W62 HydrophobicContact CG2-CD2 4.33Å; T51-W62 HydrophobicContact CG2-CG 4.03Å; T51-W62 VanDerWaalsContact OG1-CD1 3.27Å; T51-W62 PolarHBondContact OG1-NE1 2.81Å; T51-W62 VanDerWaalsContact OG1-NE1 3.15Å; T51-Q64 HydrophobicContact CG2-CB 4.36Å; T51-Y66 VanDerWaalsContact CA-OH 3.27Å; T51-Y66 WeakPolarHBondContact CA-OH 3.45Å; T51-Y66 HydrophobicContact CG2-CE2 4.29Å; T51-Y66 WeakPolarHBondContact CG2-OH 3.34Å; T51-Y66 PolarHBondContact N-OH 2.96Å
52	D	89.3	Confident	86.7	Confident	115 Å²	115	57.7 Å²	57.7	62%	0.615	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-59.7	157.7	164.9	-68.9	-52.7	0	0	0	112.1	W62 Q64	D52-W62 PolarHBondContact O-NE1 2.93Å; D52-Q64 PolarHBondContact OD2-NE2 3.25Å
53	T	89.9	Confident	86.6	Confident	49 Å²	49	61.9 Å²	61.9	30%	0.301	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-91.4	118.5	178.2	-62.3	0	0	0	0	110.5	D35 H83	D35-T53 HydrophobicContact CB-CG2 3.77Å; T53-H83 HydrophobicContact CG2-CB 3.54Å
54	V	88.3	Confident	87	Confident	45 Å²	45	60.8 Å²	60.8	27%	0.273	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-89.8	132.8	173.1	-172.1	0	0	0	0	108.5	D35 P36 T57 P60	D35-V54 CarbonylContact C-O 3.57Å; D35-V54 WeakPolarHBondContact CA-O 3.13Å; P36-V54 VanDerWaalsContact CD-O 3.25Å; P36-V54 WeakPolarHBondContact CD-O 3.43Å; P36-V54 PolarHBondContact O-N 3.16Å; V54-T57 HydrophobicContact CB-CG2 4.09Å; V54-T57 HydrophobicContact CG1-CG2 3.61Å; V54-P60 HydrophobicContact CB-CB 3.94Å; V54-P60 HydrophobicContact CG1-CB 4.43Å; V54-P60 HydrophobicContact CG2-CB 3.93Å
55	K	88.1	Confident	87.9	Confident	162 Å²	162	63 Å²	63	70%	0.704	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-89.2	140.9	-173.5	-65.2	177.6	-178.5	172.8	0	112.4	D35 T57	D35-K55 WeakPolarHBondContact OD1-CA 3.36Å; K55-T57 PolarHBondContact O-N 2.91Å
56	S	84.8	Confident	88.6	Confident	67 Å²	67	61.6 Å²	61.6	47%	0.469	34%	0.337	S	S	.	.	S	Bend	trans	50.9	52.1	167.4	-59.4	0	0	0	0	114.7	L33 P34 D35 K84	L33-S56 VanDerWaalsContact CB-C 3.48Å; L33-S56 VanDerWaalsContact CD1-O 3.29Å; L33-S56 WeakPolarHBondContact CD1-O 3.34Å; P34-S56 CarbonylContact O-C 3.57Å; P34-S56 VanDerWaalsContact O-CA 3.26Å; P34-S56 WeakPolarHBondContact O-CA 3.38Å; P34-S56 PolarHBondContact O-N 2.89Å; P34-S56 VanDerWaalsContact O-N 3.13Å; D35-S56 PolarHBondContact OD1-N 2.98Å; S56-K84 PolarHBondContact OG-NZ 3.22Å
57	T	85.9	Confident	89.3	Confident	29 Å²	29	60.8 Å²	60.8	18%	0.178	32%	0.318	C	S	.	.			trans	-142.5	152.8	-179.2	-173.2	0	0	0	0	113.2	P34 P36 V54 K55 D59 P60	P34-T57 WeakPolarHBondContact CG-O 3.33Å; P34-T57 PolarHBondContact O-N 2.72Å; P36-T57 HydrophobicContact CG-CG2 3.88Å; V54-T57 HydrophobicContact CB-CG2 4.09Å; V54-T57 HydrophobicContact CG1-CG2 3.61Å; K55-T57 PolarHBondContact O-N 2.91Å; T57-D59 PolarHBondContact OG1-N 3.1Å; T57-P60 HydrophobicContact CG2-CB 3.96Å
58	L	86.9	Confident	89.5	Confident	35 Å²	35	58.8 Å²	58.8	18%	0.183	31%	0.309	C	S	.	.	S	Bend	trans	-98	-6.1	166.4	-54.7	179.1	0	0	0	112.4	N24 L25 K27 L33 P34	N24-L58 PolarHBondContact N-O 2.7Å; L25-L58 HydrophobicContact CB-CB 4.35Å; L25-L58 VanDerWaalsContact CB-O 3.31Å; L25-L58 WeakPolarHBondContact CB-O 3.2Å; L25-L58 VanDerWaalsContact CG-O 3.22Å; L25-L58 WeakPolarHBondContact CG-O 3.47Å; L25-L58 PolarHBondContact N-O 3.33Å; K27-L58 HydrophobicContact CB-CD1 4.12Å; K27-L58 HydrophobicContact CB-CD2 4.03Å; L33-L58 HydrophobicContact CD2-CD1 4.28Å; L33-L58 HydrophobicContact CD2-CD2 4.13Å; L33-L58 HydrophobicContact CD2-CG 4.02Å; P34-L58 VanDerWaalsContact CD-CD2 3.47Å; P34-L58 HydrophobicContact CG-CD2 3.78Å
59	D	89.1	Confident	89.5	Confident	82 Å²	82	61.4 Å²	61.4	44%	0.439	31%	0.311	S	S	.	.	S	Bend	trans	-132.8	63.1	-171.9	-57.6	-86.2	0	0	0	110.6	A22 K23 N24 T57	A22-D59 CarbonylContact O-C 3.58Å; A22-D59 VanDerWaalsContact O-C 3.3Å; A22-D59 VanDerWaalsContact O-CA 3.23Å; A22-D59 WeakPolarHBondContact O-CA 3.47Å; K23-D59 WeakPolarHBondContact CA-OD1 3.37Å; K23-D59 WeakPolarHBondContact CB-OD1 3.46Å; N24-D59 PolarHBondContact N-OD1 3.17Å; T57-D59 PolarHBondContact OG1-N 3.1Å
60	P	88.8	Confident	89.3	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	30%	0.299	C	S	.	.			trans	-69.4	135.2	-177.2	29.5	-36.5	0	0	0	112.6	C21 A22 L25 P36 V54 T57 W62	C21-P60 CarbonylContact C-O 3.48Å; C21-P60 WeakPolarHBondContact CA-O 3.35Å; C21-P60 WeakPolarHBondContact CB-O 3.37Å; A22-P60 HydrophobicContact CB-CG 3.95Å; A22-P60 PolarHBondContact N-O 3.37Å; A22-P60 WeakPolarHBondContact O-CD 3.41Å; L25-P60 HydrophobicContact CD1-CG 3.86Å; P36-P60 HydrophobicContact CB-CB 4.38Å; P36-P60 HydrophobicContact CB-CG 3.94Å; P36-P60 HydrophobicContact CG-CB 3.68Å; P36-P60 HydrophobicContact CG-CG 3.57Å; V54-P60 HydrophobicContact CB-CB 3.94Å; V54-P60 HydrophobicContact CG1-CB 4.43Å; V54-P60 HydrophobicContact CG2-CB 3.93Å; T57-P60 HydrophobicContact CG2-CB 3.96Å; P60-W62 HydrophobicContact CB-CD2 4.36Å; P60-W62 HydrophobicContact CB-CH2 4.05Å; P60-W62 HydrophobicContact CB-CZ2 3.65Å; P60-W62 HydrophobicContact CG-CH2 3.4Å; P60-W62 HydrophobicContact CG-CZ2 3.46Å; P60-W62 VanDerWaalsContact CG-CZ2 3.46Å; P60-W62 HydrophobicContact CG-CZ3 4Å
61	K	89.9	Confident	88.9	Confident	132 Å²	132	57 Å²	57	57%	0.574	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	127	167.1	-59.5	-179.3	-179.1	-178.7	0	108.3	C21 D451	C21-K61 HydrophobicContact CB-CB 4.47Å; C21-K61 HydrophobicContact CB-CG 4.25Å; K61-D451 IonicContact NZ-OD2 2.7Å; K61-D451 PolarHBondContact NZ-OD2 3.03Å
62	W	90.2	Very high	88.2	Confident	21 Å²	21	64.2 Å²	64.2	8%	0.08	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-45.7	179	-62.6	-69.6	0	0	0	112.5	V19 L20 A22 P36 A38 T51 D52 P60 Q64 I80	V19-W62 HydrophobicContact CG1-CE3 3.82Å; V19-W62 HydrophobicContact CG1-CZ3 4.18Å; L20-W62 PolarHBondContact O-N 3.41Å; A22-W62 HydrophobicContact CB-CH2 3.94Å; A22-W62 HydrophobicContact CB-CZ3 3.83Å; P36-W62 HydrophobicContact CB-CZ2 4.23Å; A38-W62 HydrophobicContact CB-CE3 4.39Å; A38-W62 HydrophobicContact CB-CH2 3.95Å; A38-W62 HydrophobicContact CB-CZ2 4.2Å; A38-W62 HydrophobicContact CB-CZ3 4.06Å; T51-W62 HydrophobicContact CG2-CB 4.16Å; T51-W62 HydrophobicContact CG2-CD2 4.33Å; T51-W62 HydrophobicContact CG2-CG 4.03Å; T51-W62 VanDerWaalsContact OG1-CD1 3.27Å; T51-W62 PolarHBondContact OG1-NE1 2.81Å; T51-W62 VanDerWaalsContact OG1-NE1 3.15Å; D52-W62 PolarHBondContact O-NE1 2.93Å; P60-W62 HydrophobicContact CB-CD2 4.36Å; P60-W62 HydrophobicContact CB-CH2 4.05Å; P60-W62 HydrophobicContact CB-CZ2 3.65Å; P60-W62 HydrophobicContact CG-CH2 3.4Å; P60-W62 HydrophobicContact CG-CZ2 3.46Å; P60-W62 VanDerWaalsContact CG-CZ2 3.46Å; P60-W62 HydrophobicContact CG-CZ3 4Å; W62-Q64 VanDerWaalsContact C-N 3.3Å; W62-Q64 HydrophobicContact CB-CG 4.28Å; W62-Q64 WeakPolarHBondContact O-CG 3.24Å; W62-Q64 PolarHBondContact O-N 3.45Å; W62-I80 HydrophobicContact CH2-CD1 4.15Å; W62-I80 HydrophobicContact CH2-CG1 4.36Å; W62-I80 HydrophobicContact CH2-CG2 4.19Å
63	N	89.5	Confident	87.8	Confident	88 Å²	88	64.5 Å²	64.5	47%	0.471	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.5	44.3	-174.9	-161.5	24.4	0	0	0	114.3	V19 L20	V19-N63 PolarHBondContact O-N 3.12Å; L20-N63 HydrophobicContact CD1-CB 4.07Å; L20-N63 WeakPolarHBondContact CD1-OD1 3.49Å; L20-N63 PolarHBondContact O-N 2.86Å
64	Q	89.8	Confident	87.7	Confident	41 Å²	41	63 Å²	63	19%	0.192	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	144.4	-178.1	-60.7	-167.1	11.9	0	0	111.4	T18 V19 T51 D52 W62 Y66	T18-Q64 CarbonylContact C-O 3.6Å; T18-Q64 WeakPolarHBondContact CA-O 3.42Å; V19-Q64 PolarHBondContact N-O 2.88Å; V19-Q64 PolarHBondContact O-N 2.96Å; V19-Q64 VanDerWaalsContact O-N 3.12Å; T51-Q64 HydrophobicContact CG2-CB 4.36Å; D52-Q64 PolarHBondContact OD2-NE2 3.25Å; W62-Q64 VanDerWaalsContact C-N 3.3Å; W62-Q64 HydrophobicContact CB-CG 4.28Å; W62-Q64 WeakPolarHBondContact O-CG 3.24Å; W62-Q64 PolarHBondContact O-N 3.45Å; Q64-Y66 HydrophobicContact CB-CE2 4.33Å; Q64-Y66 PolarHBondContact OE1-OH 3.07Å
65	H	91.1	Very high	87.8	Confident	100 Å²	100	61.4 Å²	61.4	46%	0.463	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.8	-176.9	65.2	-92	0	0	0	112.5	R16 L17 T18	R16-H65 HydrophobicContact CG-CB 4.16Å; R16-H65 VanDerWaalsContact CZ-CD2 3.44Å; R16-H65 PolarHBondContact NH1-NE2 3.22Å; L17-H65 CarbonylContact O-C 3.5Å; L17-H65 VanDerWaalsContact O-CA 3.26Å; L17-H65 WeakPolarHBondContact O-CA 3.41Å; T18-H65 HydrophobicContact CG2-CB 4.5Å
66	Y	91.4	Very high	88.1	Confident	26 Å²	26	53.7 Å²	53.7	10%	0.102	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.9	-178.1	-52.8	-72.3	0	0	0	109.7	R16 L17 V19 V40 H49 S50 T51 Q64 L68	R16-Y66 CarbonylContact C-O 3.56Å; R16-Y66 WeakPolarHBondContact CA-O 3.44Å; L17-Y66 PolarHBondContact N-O 3.43Å; L17-Y66 PolarHBondContact O-N 3.26Å; V19-Y66 HydrophobicContact CG2-CE2 4.45Å; V40-Y66 HydrophobicContact CG2-CD2 4.19Å; V40-Y66 HydrophobicContact CG2-CE2 4.27Å; H49-Y66 HydrophobicContact CB-CD1 3.56Å; H49-Y66 HydrophobicContact CB-CD2 4.27Å; H49-Y66 HydrophobicContact CB-CE1 3.71Å; H49-Y66 HydrophobicContact CB-CE2 4.38Å; H49-Y66 HydrophobicContact CB-CG 3.86Å; H49-Y66 AromaticContact CG-CD1 3.66Å; H49-Y66 AromaticContact CG-CG 3.98Å; H49-Y66 AromaticContact ND1-CD1 3.83Å; S50-Y66 PolarHBondContact O-OH 2.9Å; T51-Y66 VanDerWaalsContact CA-OH 3.27Å; T51-Y66 WeakPolarHBondContact CA-OH 3.45Å; T51-Y66 HydrophobicContact CG2-CE2 4.29Å; T51-Y66 WeakPolarHBondContact CG2-OH 3.34Å; T51-Y66 PolarHBondContact N-OH 2.96Å; Q64-Y66 HydrophobicContact CB-CE2 4.33Å; Q64-Y66 PolarHBondContact OE1-OH 3.07Å; Y66-L68 PolarHBondContact O-N 2.84Å
67	D	90.3	Very high	88.5	Confident	43 Å²	43	51.2 Å²	51.2	23%	0.23	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	101.7	173	-82.9	15.8	0	0	0	108.7	K14 R16	K14-D67 VanDerWaalsContact CE-CG 3.5Å; K14-D67 WeakPolarHBondContact CE-OD2 3.47Å; K14-D67 IonicContact NZ-OD2 2.85Å; K14-D67 PolarHBondContact NZ-OD2 2.81Å; R16-D67 IonicContact CZ-OD1 2.84Å; R16-D67 VanDerWaalsContact CZ-OD1 3.25Å; R16-D67 IonicContact NE-OD1 2.75Å; R16-D67 PolarHBondContact NE-OD1 3.41Å; R16-D67 IonicContact NH2-OD1 3.39Å; R16-D67 PolarHBondContact NH2-OD1 2.81Å; R16-D67 IonicContact NH2-OD2 2.77Å
68	L	90.5	Very high	88.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	142.3	-178.4	-54.2	179	0	0	0	111.5	K14 I15 L17 V40 V42 Y66 I70 I76	K14-L68 WeakPolarHBondContact CA-O 3.31Å; I15-L68 PolarHBondContact N-O 3.43Å; I15-L68 PolarHBondContact O-N 3.36Å; L17-L68 HydrophobicContact CB-CD1 3.72Å; L17-L68 HydrophobicContact CB-CG 4.26Å; L17-L68 HydrophobicContact CD2-CD1 3.88Å; L17-L68 HydrophobicContact CG-CD1 4.45Å; V40-L68 HydrophobicContact CG1-CD1 4.12Å; V40-L68 HydrophobicContact CG1-CD2 4.44Å; V42-L68 HydrophobicContact CG2-CB 4.4Å; V42-L68 HydrophobicContact CG2-CD1 4Å; V42-L68 HydrophobicContact CG2-CD2 4.11Å; V42-L68 HydrophobicContact CG2-CG 4.41Å; Y66-L68 PolarHBondContact O-N 2.84Å; L68-I70 HydrophobicContact CB-CD1 4.21Å; L68-I70 HydrophobicContact CB-CG1 4.11Å; L68-I76 HydrophobicContact CD1-CD1 4.12Å; L68-I76 HydrophobicContact CD1-CG1 4.37Å; L68-I76 HydrophobicContact CD1-CG2 4.37Å
69	Y	88.8	Confident	89.1	Confident	118 Å²	118	48.6 Å²	48.6	46%	0.463	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.4	169	-60.8	-84.9	0	0	0	110.6	K14 Q47	K14-Y69 HydrophobicContact CB-CD1 4.23Å; K14-Y69 HydrophobicContact CB-CE1 4.12Å; K14-Y69 HydrophobicContact CD-CE1 3.83Å; K14-Y69 HydrophobicContact CG-CD1 4.2Å; K14-Y69 HydrophobicContact CG-CE1 3.83Å; Q47-Y69 PolarHBondContact NE2-O 3.22Å
70	I	87.5	Confident	89.3	Confident	10 Å²	10	44.7 Å²	44.7	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121	-167.4	-57.2	-176.1	0	0	0	110.3	S12 I13 I15 L68 D74 I76 I105	S12-I70 CarbonylContact C-O 3.57Å; S12-I70 WeakPolarHBondContact CA-O 3.38Å; I13-I70 PolarHBondContact N-O 3.47Å; I13-I70 PolarHBondContact O-N 3.32Å; I15-I70 HydrophobicContact CB-CD1 4.11Å; I15-I70 HydrophobicContact CD1-CD1 4.17Å; I15-I70 HydrophobicContact CG1-CD1 4.32Å; L68-I70 HydrophobicContact CB-CD1 4.21Å; L68-I70 HydrophobicContact CB-CG1 4.11Å; I70-D74 HydrophobicContact CG2-CB 3.84Å; I70-I76 HydrophobicContact CD1-CD1 3.6Å; I70-I76 HydrophobicContact CD1-CG1 3.9Å; I70-I105 HydrophobicContact CD1-CG2 4.41Å; I70-I105 HydrophobicContact CG2-CD1 4.31Å
71	G	83.4	Confident	89.3	Confident	22 Å²	22	46.9 Å²	46.9	23%	0.227	23%	0.229	C	C	.	.			trans	-78.8	164.6	172.2	0	0	0	0	0	113.6	T73 D74	G71-T73 PolarHBondContact O-N 2.73Å; G71-D74 PolarHBondContact N-OD2 2.74Å; G71-D74 WeakPolarHBondContact O-CB 3.48Å; G71-D74 PolarHBondContact O-N 2.75Å
72	K	78.3	Confident	89.2	Confident	162 Å²	162	40.8 Å²	40.8	70%	0.704	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23	-176	-64.7	-172.7	177.5	-174.6	0	115	S11 S102	S11-K72 WeakPolarHBondContact OG-CE 3.47Å; K72-S102 WeakPolarHBondContact O-CB 3.5Å
73	T	82.1	Confident	88.8	Confident	122 Å²	122	44 Å²	44	75%	0.748	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.6	2.5	-178.3	50.3	0	0	0	0	113.3	G71	G71-T73 PolarHBondContact O-N 2.73Å
74	D	88.3	Confident	88	Confident	17 Å²	17	44.4 Å²	44.4	9%	0.091	22%	0.216	C	C	.	.			trans	-78.2	154.2	-172.2	-66.4	11.7	0	0	0	110.9	V42 I70 G71 S102	V42-D74 HydrophobicContact CG1-CB 4.14Å; I70-D74 HydrophobicContact CG2-CB 3.84Å; G71-D74 PolarHBondContact N-OD2 2.74Å; G71-D74 WeakPolarHBondContact O-CB 3.48Å; G71-D74 PolarHBondContact O-N 2.75Å; D74-S102 PolarHBondContact O-N 3.37Å
75	S	90.5	Very high	86.8	Confident	11 Å²	11	44.5 Å²	44.5	8%	0.077	22%	0.216	C	C	.	.			trans	-127.4	148.6	172.7	42.3	0	0	0	0	110.6	V42 D43 L100	V42-S75 CarbonylContact C-O 3.58Å; V42-S75 WeakPolarHBondContact CA-O 3.25Å; D43-S75 PolarHBondContact N-O 2.88Å; D43-S75 PolarHBondContact OD2-OG 3.1Å; S75-L100 CarbonylContact C-O 3.54Å; S75-L100 WeakPolarHBondContact CA-O 3.48Å; S75-L100 WeakPolarHBondContact CB-O 3.4Å
76	I	93	Very high	85.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.4	175.8	-51.6	165.6	0	0	0	108	L17 V40 V41 L68 I70 I78 R99 L100 I105 L137	L17-I76 HydrophobicContact CD2-CG2 4.31Å; V40-I76 HydrophobicContact CG1-CG2 3.9Å; V41-I76 CarbonylContact O-C 3.58Å; V41-I76 WeakPolarHBondContact O-CA 3.16Å; L68-I76 HydrophobicContact CD1-CD1 4.12Å; L68-I76 HydrophobicContact CD1-CG1 4.37Å; L68-I76 HydrophobicContact CD1-CG2 4.37Å; I70-I76 HydrophobicContact CD1-CD1 3.6Å; I70-I76 HydrophobicContact CD1-CG1 3.9Å; I76-I78 HydrophobicContact CG2-CD1 4.26Å; I76-I78 HydrophobicContact CG2-CG1 3.84Å; I76-R99 WeakPolarHBondContact O-CA 3.24Å; I76-L100 HydrophobicContact CB-CB 4.43Å; I76-L100 PolarHBondContact N-O 3.26Å; I76-L100 PolarHBondContact O-N 3.18Å; I76-I105 HydrophobicContact CD1-CD1 3.95Å; I76-I105 HydrophobicContact CD1-CG1 4.07Å; I76-I105 HydrophobicContact CG1-CD1 3.74Å; I76-I105 HydrophobicContact CG1-CG1 4.34Å; I76-L137 HydrophobicContact CD1-CD2 3.62Å
77	T	92.7	Very high	84.1	Confident	15 Å²	15	49 Å²	49	9%	0.092	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.1	171.5	-58	0	0	0	0	109	V40 V41 D43 I98	V40-T77 CarbonylContact C-O 3.53Å; V41-T77 PolarHBondContact N-O 2.89Å; V41-T77 PolarHBondContact O-N 2.82Å; D43-T77 PolarHBondContact OD1-OG1 3.36Å; D43-T77 PolarHBondContact OD2-OG1 2.89Å; T77-I98 WeakPolarHBondContact CA-O 3.4Å
78	I	94.2	Very high	82.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.4	176.6	-49.1	176.9	0	0	0	107.9	L17 A38 K39 V40 I76 C97 I98 I133 V135	L17-I78 HydrophobicContact CD1-CD1 3.81Å; L17-I78 HydrophobicContact CD2-CD1 3.67Å; L17-I78 HydrophobicContact CD2-CG1 4.31Å; L17-I78 HydrophobicContact CG-CD1 4.35Å; A38-I78 HydrophobicContact CB-CG2 4.46Å; K39-I78 WeakPolarHBondContact O-CA 3.42Å; V40-I78 HydrophobicContact CG1-CG1 4.47Å; V40-I78 HydrophobicContact CG2-CG1 4.27Å; V40-I78 HydrophobicContact CG2-CG2 4.18Å; I76-I78 HydrophobicContact CG2-CD1 4.26Å; I76-I78 HydrophobicContact CG2-CG1 3.84Å; I78-C97 CarbonylContact O-C 3.53Å; I78-C97 WeakPolarHBondContact O-CA 3.49Å; I78-C97 VanDerWaalsContact O-CB 3.28Å; I78-C97 WeakPolarHBondContact O-CB 3.47Å; I78-I98 HydrophobicContact CB-CD1 4.29Å; I78-I98 HydrophobicContact CB-CG1 3.82Å; I78-I98 HydrophobicContact CD1-CD1 4.08Å; I78-I98 HydrophobicContact CD1-CG1 4.5Å; I78-I98 HydrophobicContact CG1-CD1 4.49Å; I78-I98 HydrophobicContact CG1-CG1 4.37Å; I78-I98 PolarHBondContact N-O 2.72Å; I78-I98 PolarHBondContact O-N 3.25Å; I78-I133 HydrophobicContact CG2-CD1 3.63Å; I78-V135 HydrophobicContact CD1-CG1 3.96Å
79	S	92.6	Very high	81.3	Confident	10 Å²	10	64.1 Å²	64.1	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.2	-172	58.4	0	0	0	0	111.2	A38 K39 W81	A38-S79 CarbonylContact C-O 3.53Å; A38-S79 WeakPolarHBondContact CA-O 3.34Å; K39-S79 PolarHBondContact N-O 2.88Å; K39-S79 PolarHBondContact O-N 3.25Å; K39-S79 PolarHBondContact O-OG 2.84Å; S79-W81 PolarHBondContact OG-NE1 2.67Å
80	I	92.3	Very high	79.8	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.8	-177.9	-54.6	179.2	0	0	0	109.3	A22 L25 P36 F37 A38 W62 L95 G96 L118 I133	A22-I80 HydrophobicContact CB-CD1 3.56Å; L25-I80 HydrophobicContact CD1-CG2 4.17Å; L25-I80 HydrophobicContact CD2-CD1 3.96Å; L25-I80 HydrophobicContact CD2-CG2 4.34Å; P36-I80 HydrophobicContact CB-CG2 4.05Å; F37-I80 WeakPolarHBondContact O-CA 3.27Å; A38-I80 HydrophobicContact CB-CG1 4.44Å; W62-I80 HydrophobicContact CH2-CD1 4.15Å; W62-I80 HydrophobicContact CH2-CG1 4.36Å; W62-I80 HydrophobicContact CH2-CG2 4.19Å; I80-L95 HydrophobicContact CB-CB 4.32Å; I80-L95 HydrophobicContact CG2-CB 4.12Å; I80-L95 HydrophobicContact CG2-CD1 4.14Å; I80-L95 PolarHBondContact O-N 2.9Å; I80-G96 PolarHBondContact N-O 3.37Å; I80-L118 HydrophobicContact CD1-CD1 3.79Å; I80-L118 HydrophobicContact CD1-CD2 3.73Å; I80-L118 HydrophobicContact CD1-CG 4.4Å; I80-L118 HydrophobicContact CG1-CD2 4.27Å; I80-I133 HydrophobicContact CD1-CB 4.36Å; I80-I133 HydrophobicContact CD1-CD1 4.1Å; I80-I133 HydrophobicContact CD1-CG1 4.31Å; I80-I133 HydrophobicContact CG1-CD1 4.35Å
81	W	89.1	Confident	78.5	Confident	46 Å²	46	69.5 Å²	69.5	17%	0.174	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.1	-172.5	-64.4	85.9	0	0	0	111.6	P36 F37 S79 I86 G93 F94	P36-W81 CarbonylContact C-O 3.16Å; P36-W81 VanDerWaalsContact CA-O 3.29Å; P36-W81 WeakPolarHBondContact CA-O 3.12Å; F37-W81 HydrophobicContact CD1-CB 4.03Å; F37-W81 WeakPolarHBondContact CD1-O 3.5Å; F37-W81 HydrophobicContact CE1-CB 3.48Å; F37-W81 VanDerWaalsContact CE1-CB 3.48Å; F37-W81 HydrophobicContact CE2-CB 4.25Å; F37-W81 HydrophobicContact CZ-CB 3.61Å; F37-W81 HydrophobicContact CZ-CG 4.19Å; F37-W81 PolarHBondContact N-O 3.46Å; F37-W81 PolarHBondContact O-N 3.15Å; S79-W81 PolarHBondContact OG-NE1 2.67Å; W81-I86 HydrophobicContact CB-CD1 4.35Å; W81-I86 HydrophobicContact CD2-CD1 4.31Å; W81-I86 HydrophobicContact CE3-CD1 4.14Å; W81-I86 HydrophobicContact CE3-CG1 4.23Å; W81-I86 HydrophobicContact CG-CD1 4.41Å; W81-G93 CarbonylContact C-O 3.38Å; W81-G93 WeakPolarHBondContact CA-O 3.48Å; W81-F94 HydrophobicContact CD2-CD2 4.48Å; W81-F94 HydrophobicContact CE3-CB 4.16Å; W81-F94 HydrophobicContact CH2-CB 4.13Å; W81-F94 HydrophobicContact CH2-CD2 4.09Å; W81-F94 AromaticContact CZ2-CD2 3.87Å; W81-F94 HydrophobicContact CZ2-CD2 3.87Å; W81-F94 HydrophobicContact CZ3-CB 3.85Å; W81-F94 HydrophobicContact CZ3-CD2 4.49Å
82	N	87.6	Confident	77.6	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	108.8	171.4	-179.6	2.7	0	0	0	110.2	P34 D35 K84 K85 I86 G93 L95	P34-N82 HydrophobicContact CB-CB 4.06Å; P34-N82 WeakPolarHBondContact CB-ND2 3.16Å; D35-N82 PolarHBondContact N-OD1 3.14Å; D35-N82 CarbonylContact O-C 3.59Å; D35-N82 WeakPolarHBondContact O-CA 3.48Å; N82-K84 VanDerWaalsContact C-N 3.27Å; N82-K84 PolarHBondContact O-N 3.32Å; N82-K84 WeakPolarHBondContact OD1-CB 3.47Å; N82-K84 PolarHBondContact OD1-N 3.11Å; N82-K85 PolarHBondContact O-N 3.35Å; N82-I86 PolarHBondContact O-N 3.26Å; N82-I86 VanDerWaalsContact O-N 3.12Å; N82-G93 PolarHBondContact N-O 3.16Å; N82-L95 HydrophobicContact CB-CD1 4.15Å; N82-L95 HydrophobicContact CB-CD2 4.43Å; N82-L95 HydrophobicContact CB-CG 4.29Å
83	H	82.9	Confident	77.4	Confident	89 Å²	89	62.5 Å²	62.5	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-55.9	-38.1	-179	-168.5	91	0	0	0	112.8	D35 F37 T53 K85 I86	D35-H83 HydrophobicContact CB-CB 4.19Å; D35-H83 PolarHBondContact O-N 2.81Å; F37-H83 HydrophobicContact CD1-CB 4.08Å; F37-H83 HydrophobicContact CE1-CB 4.28Å; T53-H83 HydrophobicContact CG2-CB 3.54Å; H83-K85 PolarHBondContact O-N 3.44Å; H83-K85 VanDerWaalsContact O-N 3.12Å; H83-I86 WeakPolarHBondContact O-CG2 3.48Å
84	K	71.5	Confident	77.6	Confident	96 Å²	96	57 Å²	57	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-62.6	-18.3	177.5	-76.8	166.5	167.5	148.1	0	114.7	D35 S56 N82	D35-K84 HydrophobicContact CB-CD 4.17Å; D35-K84 HydrophobicContact CB-CG 4.16Å; D35-K84 VanDerWaalsContact CG-CD 3.46Å; D35-K84 WeakPolarHBondContact OD1-CE 3.43Å; D35-K84 IonicContact OD1-NZ 2.76Å; D35-K84 PolarHBondContact OD1-NZ 2.65Å; D35-K84 VanDerWaalsContact OD2-CD 3.3Å; D35-K84 WeakPolarHBondContact OD2-CD 3.38Å; D35-K84 WeakPolarHBondContact OD2-CE 3.45Å; D35-K84 WeakPolarHBondContact OD2-CG 3.37Å; D35-K84 IonicContact OD2-NZ 2.75Å; D35-K84 PolarHBondContact OD2-NZ 3.07Å; S56-K84 PolarHBondContact OG-NZ 3.22Å; N82-K84 VanDerWaalsContact C-N 3.27Å; N82-K84 PolarHBondContact O-N 3.32Å; N82-K84 WeakPolarHBondContact OD1-CB 3.47Å; N82-K84 PolarHBondContact OD1-N 3.11Å
85	K	66	Low	77.4	Confident	43 Å²	43	56.3 Å²	56.3	19%	0.187	27%	0.267	C	S	.	.	H	α-helix	trans	-119.5	-13.8	-175	-78.4	-171.5	170.2	176.3	0	114.8	D29 N82 H83 H87 K88	D29-K85 IonicContact OD1-NZ 3.95Å; D29-K85 PolarHBondContact OD1-NZ 3.34Å; D29-K85 WeakPolarHBondContact OD2-CE 3.38Å; D29-K85 IonicContact OD2-NZ 3.43Å; D29-K85 PolarHBondContact OD2-NZ 2.95Å; N82-K85 PolarHBondContact O-N 3.35Å; H83-K85 PolarHBondContact O-N 3.44Å; H83-K85 VanDerWaalsContact O-N 3.12Å; K85-H87 PolarHBondContact O-N 2.87Å; K85-H87 VanDerWaalsContact O-N 3.14Å; K85-K88 PolarHBondContact O-N 3.48Å
86	I	64.5	Low	77.3	Confident	57 Å²	57	55.8 Å²	55.8	29%	0.292	26%	0.263	S	S	.	.	H	α-helix	trans	-58.4	-30.9	-175.4	-161.8	167	0	0	0	113.6	F37 W81 N82 H83	F37-I86 HydrophobicContact CE1-CD1 4.1Å; F37-I86 HydrophobicContact CZ-CD1 3.71Å; W81-I86 HydrophobicContact CB-CD1 4.35Å; W81-I86 HydrophobicContact CD2-CD1 4.31Å; W81-I86 HydrophobicContact CE3-CD1 4.14Å; W81-I86 HydrophobicContact CE3-CG1 4.23Å; W81-I86 HydrophobicContact CG-CD1 4.41Å; N82-I86 PolarHBondContact O-N 3.26Å; N82-I86 VanDerWaalsContact O-N 3.12Å; H83-I86 WeakPolarHBondContact O-CG2 3.48Å
87	H	60.9	Low	77.3	Confident	163 Å²	163	56.1 Å²	56.1	76%	0.755	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-2.8	178.5	-61.4	-70.2	0	0	0	115	K85	K85-H87 PolarHBondContact O-N 2.87Å; K85-H87 VanDerWaalsContact O-N 3.14Å
88	K	59.8	Low	77.3	Confident	159 Å²	159	55.9 Å²	55.9	69%	0.691	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-42	-172.7	-70.3	-167.2	175.3	-170.7	0	114.4	K85	K85-K88 PolarHBondContact O-N 3.48Å
89	R	61.5	Low	77.2	Confident	202 Å²	202	63.1 Å²	63.1	76%	0.762	29%	0.291	S	S	*	.	S	Bend	trans	-155.6	152.7	171.2	-64.6	-172.8	178.7	175.5	-1.9	108.3	G91 A92	R89-G91 PolarHBondContact O-N 3.34Å; R89-A92 HydrophobicContact CB-CB 3.97Å; R89-A92 WeakPolarHBondContact O-CB 3.43Å; R89-A92 PolarHBondContact O-N 3.4Å
90	Q	56.7	Low	77.1	Confident	209 Å²	209	63.1 Å²	63.1	98%	0.977	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	127.4	173.3	-164.9	172	8.4	0	0	109.7	A92	Q90-A92 VanDerWaalsContact C-N 3.32Å; Q90-A92 PolarHBondContact O-N 3.36Å
91	G	61.5	Low	77	Confident	32 Å²	32	67.3 Å²	67.3	33%	0.33	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-22.7	-176	0	0	0	0	0	116.5	R89 G93 F94	R89-G91 PolarHBondContact O-N 3.34Å; G91-G93 PolarHBondContact O-N 3.14Å; G91-F94 VanDerWaalsContact O-CB 3.31Å; G91-F94 WeakPolarHBondContact O-CB 3.25Å; G91-F94 PolarHBondContact O-N 3.05Å
92	A	63.7	Low	76.9	Confident	36 Å²	36	67.3 Å²	67.3	30%	0.298	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.1	-170.5	0	0	0	0	0	116.1	R89 Q90	R89-A92 HydrophobicContact CB-CB 3.97Å; R89-A92 WeakPolarHBondContact O-CB 3.43Å; R89-A92 PolarHBondContact O-N 3.4Å; Q90-A92 VanDerWaalsContact C-N 3.32Å; Q90-A92 PolarHBondContact O-N 3.36Å
93	G	74.8	Confident	76.7	Confident	1 Å²	1	71 Å²	71	1%	0.01	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-11.2	172	0	0	0	0	0	115	W81 N82 G91	W81-G93 CarbonylContact C-O 3.38Å; W81-G93 WeakPolarHBondContact CA-O 3.48Å; N82-G93 PolarHBondContact N-O 3.16Å; G91-G93 PolarHBondContact O-N 3.14Å
94	F	85.6	Confident	76.8	Confident	8 Å²	8	67.5 Å²	67.5	4%	0.035	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	135.8	-171	-175.7	-111.3	0	0	0	112.1	K28 W81 G91 G96 C97 L121 V129	K28-F94 WeakPolarHBondContact CE-O 3.47Å; K28-F94 PolarHBondContact NZ-O 3.33Å; W81-F94 HydrophobicContact CD2-CD2 4.48Å; W81-F94 HydrophobicContact CE3-CB 4.16Å; W81-F94 HydrophobicContact CH2-CB 4.13Å; W81-F94 HydrophobicContact CH2-CD2 4.09Å; W81-F94 AromaticContact CZ2-CD2 3.87Å; W81-F94 HydrophobicContact CZ2-CD2 3.87Å; W81-F94 HydrophobicContact CZ3-CB 3.85Å; W81-F94 HydrophobicContact CZ3-CD2 4.49Å; G91-F94 VanDerWaalsContact O-CB 3.31Å; G91-F94 WeakPolarHBondContact O-CB 3.25Å; G91-F94 PolarHBondContact O-N 3.05Å; F94-G96 WeakPolarHBondContact CE2-O 3.35Å; F94-G96 VanDerWaalsContact CZ-CA 3.43Å; F94-C97 HydrophobicContact CE2-CB 3.92Å; F94-C97 HydrophobicContact CZ-CB 3.93Å; F94-L121 HydrophobicContact CE1-CB 4.35Å; F94-L121 HydrophobicContact CE2-CB 4.41Å; F94-L121 HydrophobicContact CZ-CB 3.94Å; F94-V129 HydrophobicContact CD1-CG2 4.32Å; F94-V129 HydrophobicContact CE1-CG2 3.81Å
95	L	83.6	Confident	77.5	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-16	177.2	-63.3	179.2	0	0	0	113.3	L25 K28 P34 P36 I80 N82	L25-L95 HydrophobicContact CD1-CD1 4.17Å; K28-L95 HydrophobicContact CD-CD2 4.31Å; K28-L95 HydrophobicContact CG-CD2 4.37Å; P34-L95 HydrophobicContact CB-CD1 4.16Å; P34-L95 HydrophobicContact CG-CD1 4.31Å; P36-L95 HydrophobicContact CB-CD1 4.03Å; I80-L95 HydrophobicContact CB-CB 4.32Å; I80-L95 HydrophobicContact CG2-CB 4.12Å; I80-L95 HydrophobicContact CG2-CD1 4.14Å; I80-L95 PolarHBondContact O-N 2.9Å; N82-L95 HydrophobicContact CB-CD1 4.15Å; N82-L95 HydrophobicContact CB-CD2 4.43Å; N82-L95 HydrophobicContact CB-CG 4.29Å
96	G	89.5	Confident	78.3	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	148.6	164.1	179.3	0	0	0	0	0	112.2	I80 F94	I80-G96 PolarHBondContact N-O 3.37Å; F94-G96 WeakPolarHBondContact CE2-O 3.35Å; F94-G96 VanDerWaalsContact CZ-CA 3.43Å
97	C	92.1	Very high	79.2	Confident	7 Å²	7	69.7 Å²	69.7	5%	0.047	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	160.9	172.8	64.4	0	0	0	0	113.2	I78 F94 C119	I78-C97 CarbonylContact O-C 3.53Å; I78-C97 WeakPolarHBondContact O-CA 3.49Å; I78-C97 VanDerWaalsContact O-CB 3.28Å; I78-C97 WeakPolarHBondContact O-CB 3.47Å; F94-C97 HydrophobicContact CE2-CB 3.92Å; F94-C97 HydrophobicContact CZ-CB 3.93Å; C97-C119 PolarHBondContact N-O 3.17Å; C97-C119 WeakPolarHBondContact O-CA 3.42Å; C97-C119 PolarHBondContact O-N 2.89Å
98	I	93.5	Very high	80.3	Confident	10 Å²	10	63.4 Å²	63.4	5%	0.051	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.1	163.8	55.2	167.1	0	0	0	109.5	T77 I78 L116 D117 L118 I133 V135	T77-I98 WeakPolarHBondContact CA-O 3.4Å; I78-I98 HydrophobicContact CB-CD1 4.29Å; I78-I98 HydrophobicContact CB-CG1 3.82Å; I78-I98 HydrophobicContact CD1-CD1 4.08Å; I78-I98 HydrophobicContact CD1-CG1 4.5Å; I78-I98 HydrophobicContact CG1-CD1 4.49Å; I78-I98 HydrophobicContact CG1-CG1 4.37Å; I78-I98 PolarHBondContact N-O 2.72Å; I78-I98 PolarHBondContact O-N 3.25Å; I98-L116 HydrophobicContact CD1-CB 4.16Å; I98-L116 HydrophobicContact CD1-CD1 3.46Å; I98-L116 VanDerWaalsContact CD1-CD1 3.46Å; I98-L116 HydrophobicContact CD1-CG 4.46Å; I98-L116 HydrophobicContact CG2-CB 3.98Å; I98-D117 VanDerWaalsContact CG2-O 3.28Å; I98-D117 WeakPolarHBondContact CG2-O 3Å; I98-L118 HydrophobicContact CG2-CD2 4.41Å; I98-I133 HydrophobicContact CD1-CG2 3.48Å; I98-I133 VanDerWaalsContact CD1-CG2 3.48Å; I98-I133 HydrophobicContact CG1-CG2 3.93Å; I98-I133 HydrophobicContact CG2-CG2 3.97Å; I98-V135 HydrophobicContact CD1-CG1 4.49Å; I98-V135 HydrophobicContact CD1-CG2 4.27Å
99	R	91.9	Very high	81.5	Confident	153 Å²	153	59.3 Å²	59.3	58%	0.577	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	111	174.5	-170.3	171.3	-170.6	-150.2	0.3	110	D43 I76	D43-R99 IonicContact OD2-CZ 3.66Å; D43-R99 IonicContact OD2-NE 2.67Å; D43-R99 PolarHBondContact OD2-NE 3.28Å; D43-R99 IonicContact OD2-NH2 3.89Å; D43-R99 PolarHBondContact OD2-NH2 3.46Å; I76-R99 WeakPolarHBondContact O-CA 3.24Å
100	L	91	Very high	82.6	Confident	9 Å²	9	53.8 Å²	53.8	5%	0.047	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	107.5	-179.5	-53.8	176.9	0	0	0	108.6	S75 I76 I105 L108 L116 L137	S75-L100 CarbonylContact C-O 3.54Å; S75-L100 WeakPolarHBondContact CA-O 3.48Å; S75-L100 WeakPolarHBondContact CB-O 3.4Å; I76-L100 HydrophobicContact CB-CB 4.43Å; I76-L100 PolarHBondContact N-O 3.26Å; I76-L100 PolarHBondContact O-N 3.18Å; L100-I105 HydrophobicContact CB-CD1 4.49Å; L100-I105 HydrophobicContact CB-CG1 3.82Å; L100-I105 WeakPolarHBondContact O-CD1 3.35Å; L100-L108 HydrophobicContact CD2-CD1 3.95Å; L100-L116 HydrophobicContact CD1-CD1 4.49Å; L100-L116 HydrophobicContact CD2-CD1 3.76Å; L100-L137 HydrophobicContact CD1-CD1 4.02Å
101	L	90.2	Very high	83.7	Confident	89 Å²	89	47.1 Å²	47.1	47%	0.466	25%	0.251	S	S	.	.			trans	-70.4	160.7	171.9	-60.2	177.2	0	0	0	110.4	N103 A104 I105	L101-N103 WeakPolarHBondContact CB-OD1 3.4Å; L101-N103 PolarHBondContact O-N 2.81Å; L101-N103 VanDerWaalsContact O-N 3.12Å; L101-A104 WeakPolarHBondContact O-CA 3.32Å; L101-A104 WeakPolarHBondContact O-CB 3.47Å; L101-A104 PolarHBondContact O-N 3.29Å; L101-I105 WeakPolarHBondContact O-CG1 3.42Å; L101-I105 PolarHBondContact O-N 3.14Å
102	S	85.4	Confident	84.7	Confident	46 Å²	46	47.3 Å²	47.3	32%	0.322	25%	0.253	S	S	.	.	H	α-helix	trans	-53.5	-37	-177.2	58.4	0	0	0	0	113.6	K72 D74 I105 S106	K72-S102 WeakPolarHBondContact O-CB 3.5Å; D74-S102 PolarHBondContact O-N 3.37Å; S102-I105 PolarHBondContact O-N 3.37Å; S102-S106 WeakPolarHBondContact O-CB 3.29Å; S102-S106 PolarHBondContact O-N 3.44Å; S102-S106 PolarHBondContact O-OG 2.72Å
103	N	85.3	Confident	85.9	Confident	80 Å²	80	48.9 Å²	48.9	43%	0.428	25%	0.252	S	S	.	.	H	α-helix	trans	-67.9	-33.8	175.1	67.1	-10.5	0	0	0	113.5	L101 R107	L101-N103 WeakPolarHBondContact CB-OD1 3.4Å; L101-N103 PolarHBondContact O-N 2.81Å; L101-N103 VanDerWaalsContact O-N 3.12Å; N103-R107 WeakPolarHBondContact O-CG 3.32Å; N103-R107 PolarHBondContact O-N 2.84Å
104	A	84.1	Confident	86.4	Confident	16 Å²	16	51.4 Å²	51.4	13%	0.132	26%	0.264	C	S	.	.	H	α-helix	trans	-73.4	-44.2	174.1	0	0	0	0	0	110.8	L101 S106 R107 L108	L101-A104 WeakPolarHBondContact O-CA 3.32Å; L101-A104 WeakPolarHBondContact O-CB 3.47Å; L101-A104 PolarHBondContact O-N 3.29Å; A104-S106 PolarHBondContact O-N 3.12Å; A104-R107 PolarHBondContact O-N 2.8Å; A104-R107 VanDerWaalsContact O-N 3.08Å; A104-L108 HydrophobicContact CB-CD1 4.34Å; A104-L108 VanDerWaalsContact O-CB 3.32Å; A104-L108 WeakPolarHBondContact O-CB 3.32Å; A104-L108 VanDerWaalsContact O-CG 3.22Å; A104-L108 WeakPolarHBondContact O-CG 3.24Å; A104-L108 PolarHBondContact O-N 2.99Å
105	I	86	Confident	86.6	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-56.6	-41.2	174.3	-60.9	165.3	0	0	0	110.3	I15 I70 I76 L100 L101 S102 R107 L108 K109	I15-I105 HydrophobicContact CD1-CG2 3.78Å; I70-I105 HydrophobicContact CD1-CG2 4.41Å; I70-I105 HydrophobicContact CG2-CD1 4.31Å; I76-I105 HydrophobicContact CD1-CD1 3.95Å; I76-I105 HydrophobicContact CD1-CG1 4.07Å; I76-I105 HydrophobicContact CG1-CD1 3.74Å; I76-I105 HydrophobicContact CG1-CG1 4.34Å; L100-I105 HydrophobicContact CB-CD1 4.49Å; L100-I105 HydrophobicContact CB-CG1 3.82Å; L100-I105 WeakPolarHBondContact O-CD1 3.35Å; L101-I105 WeakPolarHBondContact O-CG1 3.42Å; L101-I105 PolarHBondContact O-N 3.14Å; S102-I105 PolarHBondContact O-N 3.37Å; I105-R107 VanDerWaalsContact C-N 3.29Å; I105-R107 PolarHBondContact O-N 3.38Å; I105-L108 PolarHBondContact O-N 3Å; I105-K109 WeakPolarHBondContact O-CB 3.42Å; I105-K109 PolarHBondContact O-N 3.41Å
106	S	83.3	Confident	86.9	Confident	78 Å²	78	60.1 Å²	60.1	55%	0.545	30%	0.299	S	S	.	.	H	α-helix	trans	-69.4	-23.1	-179.4	-56.1	0	0	0	0	113.9	S102 A104	S102-S106 WeakPolarHBondContact O-CB 3.29Å; S102-S106 PolarHBondContact O-N 3.44Å; S102-S106 PolarHBondContact O-OG 2.72Å; A104-S106 PolarHBondContact O-N 3.12Å
107	R	82.7	Confident	86.9	Confident	160 Å²	160	65 Å²	65	60%	0.604	33%	0.325	S	S	*	.	H	α-helix	trans	-93.9	-26	174.8	-71.4	-173.1	-58.8	-107	-0.1	114	N103 A104 I105 T111	N103-R107 WeakPolarHBondContact O-CG 3.32Å; N103-R107 PolarHBondContact O-N 2.84Å; A104-R107 PolarHBondContact O-N 2.8Å; A104-R107 VanDerWaalsContact O-N 3.08Å; I105-R107 VanDerWaalsContact C-N 3.29Å; I105-R107 PolarHBondContact O-N 3.38Å; R107-T111 WeakPolarHBondContact O-CG2 3.48Å
108	L	84	Confident	86.8	Confident	31 Å²	31	65.4 Å²	65.4	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-100.4	-7.4	-174.9	-61.1	172.8	0	0	0	113	L100 A104 I105 T111 Q114 L137	L100-L108 HydrophobicContact CD2-CD1 3.95Å; A104-L108 HydrophobicContact CB-CD1 4.34Å; A104-L108 VanDerWaalsContact O-CB 3.32Å; A104-L108 WeakPolarHBondContact O-CB 3.32Å; A104-L108 VanDerWaalsContact O-CG 3.22Å; A104-L108 WeakPolarHBondContact O-CG 3.24Å; A104-L108 PolarHBondContact O-N 2.99Å; I105-L108 PolarHBondContact O-N 3Å; L108-T111 WeakPolarHBondContact CA-OG1 3.47Å; L108-T111 PolarHBondContact O-OG1 3.01Å; L108-Q114 HydrophobicContact CB-CG 4.46Å; L108-Q114 HydrophobicContact CD2-CB 4.47Å; L108-Q114 HydrophobicContact CD2-CG 3.86Å; L108-L137 HydrophobicContact CB-CD1 3.96Å
109	K	85.2	Confident	86.6	Confident	72 Å²	72	68.6 Å²	68.6	31%	0.313	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-66.8	139.5	167.5	68.7	176.3	-163.5	148.4	0	110	I15 I105 T111 L137	I15-K109 HydrophobicContact CD1-CB 4.5Å; I105-K109 WeakPolarHBondContact O-CB 3.42Å; I105-K109 PolarHBondContact O-N 3.41Å; K109-T111 PolarHBondContact O-N 3.05Å; K109-L137 CarbonylContact C-O 3.47Å; K109-L137 WeakPolarHBondContact CA-O 3.36Å; K109-L137 HydrophobicContact CB-CB 4.5Å
110	D	84.3	Confident	86.1	Confident	87 Å²	87	65.5 Å²	65.5	47%	0.465	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	6.3	173.7	-48.4	-54.6	0	0	0	115.1	G112 L137 Q138 T139	D110-G112 VanDerWaalsContact C-N 3.32Å; D110-G112 PolarHBondContact O-N 2.88Å; D110-L137 PolarHBondContact N-O 3.35Å; D110-Q138 WeakPolarHBondContact OD1-CA 3.5Å; D110-T139 PolarHBondContact OD1-N 3.43Å; D110-T139 VanDerWaalsContact OD2-CB 3.3Å; D110-T139 WeakPolarHBondContact OD2-CB 3.18Å; D110-T139 PolarHBondContact OD2-OG1 2.66Å
111	T	79.8	Confident	85.2	Confident	68 Å²	68	69.5 Å²	69.5	42%	0.417	36%	0.361	S	S	.	.	S	Bend	trans	-92.3	23.3	174.6	62.3	0	0	0	0	113.7	R107 L108 K109 Q114	R107-T111 WeakPolarHBondContact O-CG2 3.48Å; L108-T111 WeakPolarHBondContact CA-OG1 3.47Å; L108-T111 PolarHBondContact O-OG1 3.01Å; K109-T111 PolarHBondContact O-N 3.05Å; T111-Q114 PolarHBondContact O-NE2 3.41Å; T111-Q114 PolarHBondContact OG1-NE2 3.17Å; T111-Q114 VanDerWaalsContact OG1-NE2 3.1Å
112	G	84	Confident	84.3	Confident	36 Å²	36	69.1 Å²	69.1	37%	0.371	36%	0.359	S	S	.	.			trans	75.3	-141.9	176.3	0	0	0	0	0	114.6	D110 S136	D110-G112 VanDerWaalsContact C-N 3.32Å; D110-G112 PolarHBondContact O-N 2.88Å; G112-S136 WeakPolarHBondContact O-CA 3.45Å; G112-S136 WeakPolarHBondContact O-CB 3.25Å; G112-S136 PolarHBondContact O-OG 2.74Å
113	Y	87.3	Confident	83.2	Confident	70 Å²	70	73.1 Å²	73.1	28%	0.275	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	119.7	179.5	-73.2	-77.7	0	0	0	111.8	T18 L20 V134	T18-Y113 HydrophobicContact CG2-CE1 4.2Å; L20-Y113 HydrophobicContact CB-CD1 4.24Å; L20-Y113 HydrophobicContact CB-CE1 3.97Å; L20-Y113 HydrophobicContact CD1-CE1 4.35Å; L20-Y113 HydrophobicContact CD2-CD1 3.98Å; L20-Y113 HydrophobicContact CD2-CE1 3.93Å; L20-Y113 HydrophobicContact CG-CE1 4.31Å; Y113-V134 HydrophobicContact CD1-CG1 4.24Å
114	Q	85.5	Confident	81.9	Confident	53 Å²	53	74.4 Å²	74.4	25%	0.248	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.1	-176.7	-63.4	-63.4	-34.3	0	0	110	L108 T111 V134 V135	L108-Q114 HydrophobicContact CB-CG 4.46Å; L108-Q114 HydrophobicContact CD2-CB 4.47Å; L108-Q114 HydrophobicContact CD2-CG 3.86Å; T111-Q114 PolarHBondContact O-NE2 3.41Å; T111-Q114 PolarHBondContact OG1-NE2 3.17Å; T111-Q114 VanDerWaalsContact OG1-NE2 3.1Å; Q114-V134 WeakPolarHBondContact O-CA 3.41Å; Q114-V135 PolarHBondContact N-O 2.87Å; Q114-V135 PolarHBondContact O-N 3.1Å
115	R	89.8	Confident	81.2	Confident	157 Å²	157	76.2 Å²	76.2	59%	0.592	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.3	173.6	-55.6	-168.7	-175.2	164.3	6.6	108.5	V134	R115-V134 HydrophobicContact CG-CG1 4.44Å; R115-V134 HydrophobicContact CG-CG2 4.1Å
116	L	89.4	Confident	80	Confident	36 Å²	36	82 Å²	82	19%	0.188	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.8	-174	-60.3	172	0	0	0	109.7	I98 L100 Q132 I133 V135	I98-L116 HydrophobicContact CD1-CB 4.16Å; I98-L116 HydrophobicContact CD1-CD1 3.46Å; I98-L116 VanDerWaalsContact CD1-CD1 3.46Å; I98-L116 HydrophobicContact CD1-CG 4.46Å; I98-L116 HydrophobicContact CG2-CB 3.98Å; L100-L116 HydrophobicContact CD1-CD1 4.49Å; L100-L116 HydrophobicContact CD2-CD1 3.76Å; L116-Q132 CarbonylContact O-C 3.57Å; L116-Q132 WeakPolarHBondContact O-CA 3.11Å; L116-I133 HydrophobicContact CB-CG2 4.24Å; L116-I133 PolarHBondContact N-O 2.95Å; L116-I133 PolarHBondContact O-N 3.17Å; L116-V135 HydrophobicContact CD1-CG2 3.77Å
117	D	91.1	Very high	79.3	Confident	103 Å²	103	80.7 Å²	80.7	55%	0.551	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	137.3	177.2	-64.4	-63.3	0	0	0	111.3	I98 Q132	I98-D117 VanDerWaalsContact CG2-O 3.28Å; I98-D117 WeakPolarHBondContact CG2-O 3Å; D117-Q132 WeakPolarHBondContact OD1-CG 3.47Å; D117-Q132 PolarHBondContact OD1-NE2 2.88Å
118	L	90.1	Very high	78.6	Confident	15 Å²	15	76.4 Å²	76.4	8%	0.079	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-75.7	128.3	178.6	-66.5	166.5	0	0	0	110.6	L25 I80 I98 V129 G131 I133	L25-L118 HydrophobicContact CD2-CD1 3.39Å; I80-L118 HydrophobicContact CD1-CD1 3.79Å; I80-L118 HydrophobicContact CD1-CD2 3.73Å; I80-L118 HydrophobicContact CD1-CG 4.4Å; I80-L118 HydrophobicContact CG1-CD2 4.27Å; I98-L118 HydrophobicContact CG2-CD2 4.41Å; L118-V129 HydrophobicContact CB-CG1 3.75Å; L118-V129 VanDerWaalsContact O-CG1 3.31Å; L118-V129 WeakPolarHBondContact O-CG1 3.06Å; L118-G131 WeakPolarHBondContact CB-O 3.34Å; L118-G131 WeakPolarHBondContact CG-O 3.47Å; L118-G131 PolarHBondContact N-O 3.22Å; L118-I133 HydrophobicContact CD2-CB 4.14Å; L118-I133 HydrophobicContact CD2-CG2 4.11Å
119	C	87.3	Confident	78.6	Confident	76 Å²	76	76.4 Å²	76.4	51%	0.514	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-103	165.9	175.6	-60.4	0	0	0	0	111.9	C97	C97-C119 PolarHBondContact N-O 3.17Å; C97-C119 WeakPolarHBondContact O-CA 3.42Å; C97-C119 PolarHBondContact O-N 2.89Å
120	K	83	Confident	78.4	Confident	89 Å²	89	80.4 Å²	80.4	39%	0.387	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-69.9	152.7	165.6	-59.6	-174.1	179.1	-167.8	0	110.3	N122 D125 D127 V129	K120-N122 WeakPolarHBondContact CB-O 3.43Å; K120-D125 WeakPolarHBondContact CD-O 3.26Å; K120-D125 PolarHBondContact NZ-O 3.06Å; K120-D127 WeakPolarHBondContact CE-O 3.27Å; K120-V129 HydrophobicContact CG-CB 4.29Å; K120-V129 HydrophobicContact CG-CG2 3.95Å
121	L	70.9	Confident	78.5	Confident	93 Å²	93	76.9 Å²	76.9	49%	0.487	43%	0.431	S	S	.	.	S	Bend	trans	-70.4	-44.9	176.2	-166.4	71.7	0	0	0	110.8	F94	F94-L121 HydrophobicContact CE1-CB 4.35Å; F94-L121 HydrophobicContact CE2-CB 4.41Å; F94-L121 HydrophobicContact CZ-CB 3.94Å
122	N	72	Confident	79.1	Confident	80 Å²	80	77.1 Å²	77.1	43%	0.428	43%	0.428	S	S	.	.	S	Bend	trans	-121.3	146.8	167	-58.4	-64.4	0	0	0	111.1	K120 S124 D125	K120-N122 WeakPolarHBondContact CB-O 3.43Å; N122-S124 PolarHBondContact O-N 2.83Å; N122-D125 WeakPolarHBondContact CB-OD2 3.3Å; N122-D125 PolarHBondContact N-OD2 3.42Å; N122-D125 PolarHBondContact O-N 3.35Å; N122-D125 VanDerWaalsContact O-N 3.16Å
123	P	62	Low	79.5	Confident	130 Å²	130	75.4 Å²	75.4	84%	0.844	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.1	174.7	-24.5	34.7	0	0	0	114
124	S	58.8	Low	79.8	Confident	107 Å²	107	72.7 Å²	72.7	75%	0.748	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.9	179.7	48.4	0	0	0	0	114.9	N122 S126	N122-S124 PolarHBondContact O-N 2.83Å; S124-S126 PolarHBondContact O-N 3.05Å
125	D	68.6	Low	80.1	Confident	54 Å²	54	70.2 Å²	70.2	29%	0.289	39%	0.389	S	S	.	.			trans	-71.3	129.3	179.7	-70.9	-40.1	0	0	0	111	K120 N122 D127	K120-D125 WeakPolarHBondContact CD-O 3.26Å; K120-D125 PolarHBondContact NZ-O 3.06Å; N122-D125 WeakPolarHBondContact CB-OD2 3.3Å; N122-D125 PolarHBondContact N-OD2 3.42Å; N122-D125 PolarHBondContact O-N 3.35Å; N122-D125 VanDerWaalsContact O-N 3.16Å; D125-D127 PolarHBondContact O-N 3.12Å
126	S	60.3	Low	80.3	Confident	127 Å²	127	63.6 Å²	63.6	89%	0.888	37%	0.367	S	S	*	.			trans	-74.5	-6.7	178.5	55.9	0	0	0	0	114	S124	S124-S126 PolarHBondContact O-N 3.05Å
127	D	69.3	Low	80.4	Confident	50 Å²	50	62 Å²	62	27%	0.267	36%	0.359	S	S	.	.			trans	-65.9	130.7	-179	-98.7	-28	0	0	0	112.8	K28 K120 D125 V129	K28-D127 IonicContact NZ-OD1 4Å; K28-D127 PolarHBondContact NZ-OD1 3.11Å; K28-D127 IonicContact NZ-OD2 2.68Å; K28-D127 PolarHBondContact NZ-OD2 3.29Å; K120-D127 WeakPolarHBondContact CE-O 3.27Å; D125-D127 PolarHBondContact O-N 3.12Å; D127-V129 PolarHBondContact O-N 2.77Å
128	A	68.3	Low	80.3	Confident	70 Å²	70	62 Å²	62	58%	0.579	36%	0.355	S	S	*	.			trans	-72.9	114.1	169.4	0	0	0	0	0	109.9	A26	A26-A128 WeakPolarHBondContact CB-O 3.28Å
129	V	83.1	Confident	80.1	Confident	32 Å²	32	62.6 Å²	62.6	19%	0.194	36%	0.36	C	S	.	.			trans	-105.4	134	171.7	174.2	0	0	0	0	108.5	F94 L118 K120 D127	F94-V129 HydrophobicContact CD1-CG2 4.32Å; F94-V129 HydrophobicContact CE1-CG2 3.81Å; L118-V129 HydrophobicContact CB-CG1 3.75Å; L118-V129 VanDerWaalsContact O-CG1 3.31Å; L118-V129 WeakPolarHBondContact O-CG1 3.06Å; K120-V129 HydrophobicContact CG-CB 4.29Å; K120-V129 HydrophobicContact CG-CG2 3.95Å; D127-V129 PolarHBondContact O-N 2.77Å
130	R	80.7	Confident	79.5	Confident	156 Å²	156	64.5 Å²	64.5	59%	0.589	36%	0.356	S	S	*	.			trans	-150.1	148.2	174.8	-167.7	-176.7	-170.5	-172	2.7	108.1	N24 L25 A26	N24-R130 CarbonylContact O-C 3.59Å; L25-R130 WeakPolarHBondContact CA-O 3.49Å; A26-R130 HydrophobicContact CB-CB 4.16Å; A26-R130 PolarHBondContact N-O 3.21Å
131	G	87.5	Confident	78.2	Confident	12 Å²	12	65.1 Å²	65.1	12%	0.124	36%	0.364	C	S	.	.			trans	121.2	174.3	170.9	0	0	0	0	0	112.9	K23 N24 L118	K23-G131 CarbonylContact O-C 3.53Å; K23-G131 WeakPolarHBondContact O-CA 3.36Å; N24-G131 WeakPolarHBondContact O-CA 3.37Å; N24-G131 PolarHBondContact O-N 3.24Å; L118-G131 WeakPolarHBondContact CB-O 3.34Å; L118-G131 WeakPolarHBondContact CG-O 3.47Å; L118-G131 PolarHBondContact N-O 3.22Å
132	Q	92.3	Very high	77	Confident	74 Å²	74	72.4 Å²	72.4	35%	0.346	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.2	179.3	-75.6	175.2	-9.2	0	0	109.8	A22 K23 L116 D117	A22-Q132 CarbonylContact C-O 3.34Å; A22-Q132 WeakPolarHBondContact CA-O 3.36Å; A22-Q132 WeakPolarHBondContact CB-O 3.46Å; K23-Q132 PolarHBondContact N-O 2.84Å; K23-Q132 PolarHBondContact O-N 3.29Å; L116-Q132 CarbonylContact O-C 3.57Å; L116-Q132 WeakPolarHBondContact O-CA 3.11Å; D117-Q132 WeakPolarHBondContact OD1-CG 3.47Å; D117-Q132 PolarHBondContact OD1-NE2 2.88Å
133	I	92.9	Very high	75.3	Confident	0 Å²	0	77 Å²	77	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.3	169.4	-165.2	179.7	0	0	0	109.5	V19 C21 A22 I78 I80 I98 L116 L118 V135	V19-I133 HydrophobicContact CG1-CD1 4.07Å; C21-I133 WeakPolarHBondContact O-CG1 3.35Å; A22-I133 HydrophobicContact CB-CG1 4.47Å; I78-I133 HydrophobicContact CG2-CD1 3.63Å; I80-I133 HydrophobicContact CD1-CB 4.36Å; I80-I133 HydrophobicContact CD1-CD1 4.1Å; I80-I133 HydrophobicContact CD1-CG1 4.31Å; I80-I133 HydrophobicContact CG1-CD1 4.35Å; I98-I133 HydrophobicContact CD1-CG2 3.48Å; I98-I133 VanDerWaalsContact CD1-CG2 3.48Å; I98-I133 HydrophobicContact CG1-CG2 3.93Å; I98-I133 HydrophobicContact CG2-CG2 3.97Å; L116-I133 HydrophobicContact CB-CG2 4.24Å; L116-I133 PolarHBondContact N-O 2.95Å; L116-I133 PolarHBondContact O-N 3.17Å; L118-I133 HydrophobicContact CD2-CB 4.14Å; L118-I133 HydrophobicContact CD2-CG2 4.11Å; I133-V135 HydrophobicContact CD1-CG1 3.95Å; I133-V135 HydrophobicContact CG1-CG1 3.96Å; I133-V135 HydrophobicContact CG2-CG1 4.43Å
134	V	92.1	Very high	73.7	Confident	12 Å²	12	73.6 Å²	73.6	7%	0.073	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117	177.3	-169.2	0	0	0	0	108.6	L20 C21 Y113 Q114 R115	L20-V134 HydrophobicContact CB-CB 4.3Å; L20-V134 HydrophobicContact CB-CG1 4.36Å; L20-V134 WeakPolarHBondContact CB-O 3.4Å; L20-V134 HydrophobicContact CD2-CB 4.49Å; L20-V134 HydrophobicContact CD2-CG1 4Å; L20-V134 PolarHBondContact N-O 2.85Å; C21-V134 PolarHBondContact O-N 3.12Å; C21-V134 VanDerWaalsContact SG-CG2 3.57Å; Y113-V134 HydrophobicContact CD1-CG1 4.24Å; Q114-V134 WeakPolarHBondContact O-CA 3.41Å; R115-V134 HydrophobicContact CG-CG1 4.44Å; R115-V134 HydrophobicContact CG-CG2 4.1Å
135	V	93.4	Very high	72.6	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.012	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.8	-176.5	-59.2	0	0	0	0	111.1	L17 T18 V19 I78 I98 Q114 L116 I133	L17-V135 HydrophobicContact CD1-CB 4.14Å; T18-V135 CarbonylContact O-C 3.52Å; T18-V135 WeakPolarHBondContact O-CA 3.35Å; V19-V135 HydrophobicContact CG2-CG1 4.41Å; I78-V135 HydrophobicContact CD1-CG1 3.96Å; I98-V135 HydrophobicContact CD1-CG1 4.49Å; I98-V135 HydrophobicContact CD1-CG2 4.27Å; Q114-V135 PolarHBondContact N-O 2.87Å; Q114-V135 PolarHBondContact O-N 3.1Å; L116-V135 HydrophobicContact CD1-CG2 3.77Å; I133-V135 HydrophobicContact CD1-CG1 3.95Å; I133-V135 HydrophobicContact CG1-CG1 3.96Å; I133-V135 HydrophobicContact CG2-CG1 4.43Å
136	S	93.2	Very high	70.7	Confident	18 Å²	18	76.6 Å²	76.6	13%	0.126	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.4	173	178.1	0	0	0	0	109.5	L17 T18 G112	L17-S136 CarbonylContact C-O 3.53Å; L17-S136 WeakPolarHBondContact CA-O 3.49Å; T18-S136 PolarHBondContact N-O 2.86Å; T18-S136 PolarHBondContact O-N 3.22Å; G112-S136 WeakPolarHBondContact O-CA 3.45Å; G112-S136 WeakPolarHBondContact O-CB 3.25Å; G112-S136 PolarHBondContact O-OG 2.74Å
137	L	91.1	Very high	69.1	Low	3 Å²	3	73.6 Å²	73.6	2%	0.016	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.1	178.2	-71.4	160.4	0	0	0	107.2	I15 R16 L17 I76 L100 L108 K109 D110	I15-L137 HydrophobicContact CG2-CB 3.93Å; I15-L137 HydrophobicContact CG2-CD2 3.73Å; I15-L137 HydrophobicContact CG2-CG 4.47Å; R16-L137 WeakPolarHBondContact O-CA 3.35Å; L17-L137 HydrophobicContact CB-CD2 4.17Å; L17-L137 HydrophobicContact CD1-CD2 3.71Å; L17-L137 HydrophobicContact CD1-CG 4.2Å; I76-L137 HydrophobicContact CD1-CD2 3.62Å; L100-L137 HydrophobicContact CD1-CD1 4.02Å; L108-L137 HydrophobicContact CB-CD1 3.96Å; K109-L137 CarbonylContact C-O 3.47Å; K109-L137 WeakPolarHBondContact CA-O 3.36Å; K109-L137 HydrophobicContact CB-CB 4.5Å; D110-L137 PolarHBondContact N-O 3.35Å
138	Q	89.1	Confident	67.5	Low	101 Å²	101	77.3 Å²	77.3	47%	0.472	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.9	-179.9	-172.3	-175.4	34.9	0	0	111.1	I15 R16 D110	I15-Q138 CarbonylContact C-O 3.58Å; I15-Q138 WeakPolarHBondContact CA-O 3.27Å; R16-Q138 HydrophobicContact CB-CB 4.41Å; R16-Q138 PolarHBondContact N-O 3.29Å; R16-Q138 PolarHBondContact O-N 2.67Å; D110-Q138 WeakPolarHBondContact OD1-CA 3.5Å
139	T	86.2	Confident	65.6	Low	29 Å²	29	80.2 Å²	80.2	18%	0.178	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	140.4	178.5	-55.1	0	0	0	0	110.9	I13 D110 D141	I13-T139 HydrophobicContact CG2-CG2 3.94Å; D110-T139 PolarHBondContact OD1-N 3.43Å; D110-T139 VanDerWaalsContact OD2-CB 3.3Å; D110-T139 WeakPolarHBondContact OD2-CB 3.18Å; D110-T139 PolarHBondContact OD2-OG1 2.66Å; T139-D141 HydrophobicContact CG2-CB 4.21Å; T139-D141 WeakPolarHBondContact CG2-OD2 3.41Å
140	R	75	Confident	63.1	Low	115 Å²	115	84.9 Å²	84.9	43%	0.434	49%	0.49	S	S	.	.			trans	-130.4	57.3	176.4	-74.8	-167.1	149.2	-144.4	-15.7	111.4	K14	K14-R140 HydrophobicContact CB-CB 4.42Å; K14-R140 HydrophobicContact CD-CB 4.34Å; K14-R140 HydrophobicContact CG-CB 4.32Å; K14-R140 PolarHBondContact O-N 3.36Å
141	D	56.4	Low	60.5	Low	102 Å²	102	83.6 Å²	83.6	55%	0.545	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-79.3	149.7	175.4	-74.5	-27.4	0	0	0	112	T139	T139-D141 HydrophobicContact CG2-CB 4.21Å; T139-D141 WeakPolarHBondContact CG2-OD2 3.41Å
142	R	44.1	Very low	57.6	Low	247 Å²	247	88.8 Å²	88.8	93%	0.932	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-83.3	118.6	-179.5	-74.1	178.3	168.7	-173.5	-4.4	110.9
143	I	37.1	Very low	54.5	Low	176 Å²	176	96.2 Å²	96.2	90%	0.903	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-98.2	139.6	150.5	-62.6	173.2	0	0	0	107.1
144	G	29	Very low	51.4	Low	59 Å²	59	99.7 Å²	99.7	61%	0.608	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-96.5	163	-161.4	0	0	0	0	0	116.7
145	S	34.9	Very low	48.3	Very low	134 Å²	134	107.5 Å²	107.5	94%	0.937	63%	0.629	S	S	*	*			trans	56	113.8	160.3	58.1	0	0	0	0	119.5
146	G	29.4	Very low	45.2	Very low	89 Å²	89	115.3 Å²	115.3	92%	0.918	67%	0.669	S	S	*	*			trans	147.7	60.4	157.4	0	0	0	0	0	117
147	G	26.8	Very low	42.2	Very low	64 Å²	64	123 Å²	123	66%	0.66	70%	0.703	S	S	*	*			trans	179.6	129.3	170	0	0	0	0	0	112.8
148	P	34.1	Very low	39.2	Very low	129 Å²	129	129.1 Å²	129.1	84%	0.838	74%	0.736	S	S	*	*			trans	-70.6	134.7	178.5	29.1	-33.2	0	0	0	110.8	V150	P148-V150 PolarHBondContact O-N 2.78Å
149	V	29.5	Very low	36.2	Very low	131 Å²	131	131 Å²	131	79%	0.794	75%	0.75	S	S	*	*			trans	-73.6	121.4	173.6	176.9	0	0	0	0	108.8	D151	V149-D151 HydrophobicContact CG1-CB 4.41Å
150	V	29.5	Very low	33.2	Very low	129 Å²	129	133 Å²	133	78%	0.782	78%	0.776	S	S	*	*			trans	-98.8	114.6	155.6	-175.8	0	0	0	0	106.5	P148 C152	P148-V150 PolarHBondContact O-N 2.78Å; V150-C152 PolarHBondContact O-N 3.23Å
151	D	26.4	Very low	31.9	Very low	130 Å²	130	133.4 Å²	133.4	70%	0.695	79%	0.793	S	S	*	*			trans	-83.4	108.4	-173.9	-171.1	6.8	0	0	0	110.7	V149 R153	V149-D151 HydrophobicContact CG1-CB 4.41Å; D151-R153 PolarHBondContact O-N 3.2Å
152	C	26.3	Very low	30.4	Very low	120 Å²	120	135.1 Å²	135.1	81%	0.811	81%	0.807	S	S	*	*			trans	-95.5	69.7	176.1	-68.3	0	0	0	0	111	V150	V150-C152 PolarHBondContact O-N 3.23Å
153	R	28.3	Very low	29.5	Very low	231 Å²	231	131.3 Å²	131.3	87%	0.872	80%	0.798	S	S	*	*			trans	-134.6	97.9	166.6	-87	-170.8	166.2	-169.1	-4.2	111.9	D151	D151-R153 PolarHBondContact O-N 3.2Å
154	G	27.4	Very low	28.8	Very low	73 Å²	73	131.3 Å²	131.3	75%	0.753	79%	0.794	S	S	*	*			trans	159.1	66.1	167.5	0	0	0	0	0	114.6
155	L	27.3	Very low	28.5	Very low	176 Å²	176	131.8 Å²	131.8	92%	0.921	80%	0.798	S	S	*	*			trans	-144.8	99.8	155.8	-77.4	-175.5	0	0	0	110.1
156	L	28.1	Very low	27.9	Very low	165 Å²	165	130.5 Å²	130.5	86%	0.864	79%	0.788	S	S	*	*			trans	-123.7	147.8	147.7	-93.9	172	0	0	0	106.4
157	E	29.5	Very low	27.6	Very low	179 Å²	179	135.6 Å²	135.6	84%	0.836	79%	0.786	S	S	*	*			trans	80.5	108.5	168.3	-62.7	177.5	174.1	0	0	119.6
158	N	28.3	Very low	27.6	Very low	133 Å²	133	137.1 Å²	137.1	71%	0.711	79%	0.786	S	S	*	*			trans	89.2	133.3	132	-92.6	39.9	0	0	0	125.1
159	D	27.3	Very low	27.2	Very low	141 Å²	141	140.5 Å²	140.5	75%	0.754	79%	0.791	S	S	*	*			trans	65.6	127	148.8	-53.5	-34.1	0	0	0	121.5
160	G	23.3	Very low	27.1	Very low	71 Å²	71	141.4 Å²	141.4	73%	0.732	79%	0.786	S	S	*	*			trans	-106	-151.7	161.2	0	0	0	0	0	110.7
161	P	47.2	Very low	27.2	Very low	122 Å²	122	141.1 Å²	141.1	79%	0.792	79%	0.787	S	S	*	*			cis	-128.6	-146.7	-3.8	40.3	-21.5	0	0	0	112.4
162	V	25	Very low	27.2	Very low	139 Å²	139	141.6 Å²	141.6	84%	0.842	79%	0.789	S	S	*	*			trans	85.8	143.3	170.9	-172.1	0	0	0	0	115.4
163	F	24.4	Very low	28.5	Very low	166 Å²	166	141.4 Å²	141.4	73%	0.728	79%	0.786	S	S	*	*			cis	-174.7	154.6	-30.5	-167.1	-108.3	0	0	0	108
164	E	23	Very low	28.4	Very low	177 Å²	177	141.4 Å²	141.4	83%	0.827	79%	0.788	S	S	*	*			trans	57.1	162.1	172.6	-82.4	164.4	165.4	0	0	118.4
165	G	23.2	Very low	28.4	Very low	68 Å²	68	142.3 Å²	142.3	70%	0.701	78%	0.783	S	S	*	*			cis	-179.7	154.2	-5	0	0	0	0	0	112.4
166	C	21.2	Very low	28.5	Very low	107 Å²	107	141 Å²	141	72%	0.723	78%	0.776	S	S	*	*			trans	-11.7	141.7	170.2	-144.4	0	0	0	0	121.4
167	F	23.3	Very low	29.5	Very low	196 Å²	196	138 Å²	138	86%	0.86	77%	0.767	S	S	*	*				178.2	165.2	106.3	-105.3	-78.4	0	0	0	114.9
168	S	26.6	Very low	29.6	Very low	96 Å²	96	136.6 Å²	136.6	67%	0.671	77%	0.771	S	S	*	*			trans	-88.9	165.8	-173.5	-15.4	0	0	0	0	114.4
169	E	25.7	Very low	29.4	Very low	200 Å²	200	133.6 Å²	133.6	94%	0.935	77%	0.772	S	S	*	*				-174.9	153.7	120.3	-104.3	178.4	168.3	0	0	114.4
170	E	27.1	Very low	29.4	Very low	151 Å²	151	132 Å²	132	71%	0.706	78%	0.777	S	S	*	*			trans	-115.9	161.4	172.9	-152.6	-171.4	-153.9	0	0	108.2
171	P	32	Very low	29.5	Very low	123 Å²	123	133.9 Å²	133.9	80%	0.799	79%	0.787	S	S	*	*				-148.8	163.4	124.8	31.9	-13.2	0	0	0	117
172	L	26.5	Very low	28.5	Very low	140 Å²	140	132.1 Å²	132.1	73%	0.733	79%	0.791	S	S	*	*			trans	-109.3	-154.4	177.1	-59.3	166.8	0	0	0	111.9
173	P	54.6	Low	28.4	Very low	115 Å²	115	129.8 Å²	129.8	75%	0.747	79%	0.794	S	S	*	*				-131.8	169.4	-116.1	38	-16.2	0	0	0	118.1
174	Y	25.9	Very low	28.4	Very low	231 Å²	231	125.8 Å²	125.8	91%	0.906	80%	0.8	S	S	*	*			trans	-173.4	157.3	167.4	-128.8	-125.7	0	0	0	109.7
175	S	28	Very low	28.7	Very low	93 Å²	93	125.2 Å²	125.2	65%	0.65	80%	0.803	S	S	*	*			cis	-161.7	175	-24.6	65.9	0	0	0	0	111.1
176	D	29.4	Very low	28.8	Very low	147 Å²	147	128.4 Å²	128.4	79%	0.786	81%	0.813	S	S	*	*			trans	-88.1	-175.7	162.8	-125.7	-13.2	0	0	0	110.3
177	P	47.3	Very low	29.1	Very low	104 Å²	104	134.7 Å²	134.7	68%	0.675	82%	0.821	S	S	*	*			cis	-142.8	178.7	13	42.8	-23	0	0	0	118.4
178	T	31.6	Very low	29.3	Very low	149 Å²	149	132.5 Å²	132.5	91%	0.914	82%	0.818	S	S	*	*			trans	158.1	151.6	144.2	35.6	0	0	0	0	111
179	G	25.1	Very low	29.2	Very low	70 Å²	70	134.6 Å²	134.6	72%	0.722	82%	0.821	S	S	*	*			cis	168.9	125.7	-10.6	0	0	0	0	0	114.5
180	A	26.3	Very low	29.4	Very low	106 Å²	106	130.2 Å²	130.2	88%	0.876	81%	0.813	S	S	*	*			trans	77.8	144.6	152.9	0	0	0	0	0	125.1
181	A	27.1	Very low	30.3	Very low	112 Å²	112	129.4 Å²	129.4	93%	0.926	82%	0.821	S	S	*	*			trans	63.2	144.4	167.2	0	0	0	0	0	118.9
182	G	24.8	Very low	30	Very low	85 Å²	85	126.7 Å²	126.7	88%	0.876	82%	0.815	S	S	*	*			cis	155.7	154.1	-2.6	0	0	0	0	0	109.8
183	G	24.1	Very low	30	Very low	89 Å²	89	129.1 Å²	129.1	92%	0.918	82%	0.822	S	S	*	*			cis	152	102.4	-7	0	0	0	0	0	113.1
184	G	24.8	Very low	28.7	Very low	83 Å²	83	132 Å²	132	86%	0.856	83%	0.826	S	S	*	*			trans	-179.6	140	-178.9	0	0	0	0	0	117.7
185	N	27.6	Very low	28.7	Very low	165 Å²	165	126 Å²	126	88%	0.882	82%	0.818	S	S	*	*			trans	-86.1	163.2	-174.6	-75.3	-23.1	0	0	0	115.4
186	C	25.3	Very low	28.8	Very low	134 Å²	134	132.5 Å²	132.5	91%	0.905	83%	0.828	S	S	*	*			trans	-150.7	152.7	132.5	-97.5	0	0	0	0	111.2
187	R	28.2	Very low	28.7	Very low	240 Å²	240	133.7 Å²	133.7	91%	0.906	83%	0.833	S	S	*	*			trans	-128.4	178.7	-175.7	-102.3	-171.6	178.9	179	-1.7	111.2
188	L	27.9	Very low	27.9	Very low	150 Å²	150	137 Å²	137	79%	0.785	84%	0.84	S	S	*	*			trans	111.5	139.1	169.2	-81.3	88.6	0	0	0	113
189	D	23.7	Very low	27.7	Very low	140 Å²	140	136.3 Å²	136.3	75%	0.749	84%	0.835	S	S	*	*			cis	-159.9	177.7	-12.8	-122.2	-2.4	0	0	0	111.5
190	S	31.3	Very low	27.7	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	84%	0.837	S	S	*	*			trans	-140.9	163.1	164.5	-58.3	0	0	0	0	108.6
191	P	45.7	Very low	27.7	Very low	135 Å²	135	145.6 Å²	145.6	88%	0.877	84%	0.836	S	S	*	*				-161.9	-179.2	97.1	40.6	-19.8	0	0	0	118.2
192	G	24.9	Very low	27.8	Very low	65 Å²	65	148.7 Å²	148.7	67%	0.67	84%	0.835	S	S	*	*			trans	117.9	96	165	0	0	0	0	0	113.3
193	Q	27.3	Very low	27.8	Very low	191 Å²	191	156.3 Å²	156.3	89%	0.893	84%	0.838	S	S	*	*				54.6	127.9	52.9	-70	-171	-20.7	0	0	112.5
194	E	25.8	Very low	27.7	Very low	177 Å²	177	155.5 Å²	155.5	83%	0.827	83%	0.829	S	S	*	*			cis	-157	-174.3	49.5	-84.1	-167.5	157.9	0	0	111.3
195	S	26.8	Very low	28.2	Very low	104 Å²	104	157.4 Å²	157.4	73%	0.727	83%	0.826	S	S	*	*			cis	-163.8	-176.9	-34.4	65.3	0	0	0	0	107.7
196	R	30.7	Very low	28.1	Very low	229 Å²	229	156.6 Å²	156.6	86%	0.864	82%	0.822	S	S	*	*			trans	-126.7	126.8	-166	177.1	-164.5	-168.4	-168.6	6.6	111.4
197	L	26.6	Very low	28.2	Very low	173 Å²	173	155.6 Å²	155.6	91%	0.906	82%	0.816	S	S	*	*			trans	-141.8	148.9	169.9	-85.8	176.7	0	0	0	114.7
198	Q	30.6	Very low	28.1	Very low	173 Å²	173	156.2 Å²	156.2	81%	0.808	82%	0.819	S	S	*	*			trans	-120.7	138.6	173.8	-64.1	171.1	-58.2	0	0	109.8
199	T	27	Very low	28.1	Very low	134 Å²	134	152.7 Å²	152.7	82%	0.822	82%	0.819	S	S	*	*			trans	-171.7	118.5	155.6	21.4	0	0	0	0	107.5
200	L	25.7	Very low	28.4	Very low	146 Å²	146	155.7 Å²	155.7	76%	0.764	83%	0.828	S	S	*	*				77.5	109.1	74.2	-88.7	169.9	0	0	0	116.7
201	R	26.9	Very low	28.1	Very low	225 Å²	225	153.4 Å²	153.4	85%	0.849	82%	0.821	S	S	*	*			trans	53.7	136.8	149.8	-72.2	178.3	173.5	166.4	-1.7	121.4
202	I	27.3	Very low	27.4	Very low	177 Å²	177	156.2 Å²	156.2	91%	0.908	82%	0.822	S	S	*	*				-174.4	164.8	117.8	-93	155.7	0	0	0	109.9
203	R	24.9	Very low	27.9	Very low	246 Å²	246	159.1 Å²	159.1	93%	0.928	83%	0.827	S	S	*	*			trans	-135.1	128.8	-166.3	-168.4	-172.8	-164	-174.6	5.5	112.2
204	G	23.6	Very low	28	Very low	71 Å²	71	155.7 Å²	155.7	73%	0.732	82%	0.822	S	S	*	*			trans	80.3	172.1	165.2	0	0	0	0	0	117.4
205	P	34.8	Very low	28.3	Very low	124 Å²	124	156 Å²	156	81%	0.805	82%	0.823	S	S	*	*			cis	-129.2	-168.4	-2.1	42.2	-25.5	0	0	0	115.4
206	D	24.5	Very low	28.4	Very low	147 Å²	147	158.5 Å²	158.5	79%	0.786	83%	0.828	S	S	*	*			trans	-35.3	149.9	-178.7	-58.9	-80.7	0	0	0	121.5
207	S	27.9	Very low	28.3	Very low	113 Å²	113	159 Å²	159	79%	0.79	83%	0.83	S	S	*	*				176.7	107.8	109.2	-77.3	0	0	0	0	116.9
208	R	26.9	Very low	28.6	Very low	253 Å²	253	156.1 Å²	156.1	96%	0.955	82%	0.822	S	S	*	*			trans	33.2	133.8	138	-62.1	179.2	177.6	173.8	-0.6	123.6
209	G	27.2	Very low	29	Very low	76 Å²	76	157.2 Å²	157.2	78%	0.784	83%	0.827	S	S	*	*			trans	144.9	72.3	157.3	0	0	0	0	0	112.8
210	H	29.5	Very low	29	Very low	204 Å²	204	153.8 Å²	153.8	94%	0.944	82%	0.817	S	S	*	*				77.8	121.1	58.2	-126.5	72	0	0	0	115.2
211	G	26	Very low	29	Very low	59 Å²	59	155.8 Å²	155.8	61%	0.608	82%	0.823	S	S	*	*			trans	109.2	114.9	-177.6	0	0	0	0	0	112.8
212	H	30.8	Very low	29.3	Very low	194 Å²	194	153.9 Å²	153.9	90%	0.898	82%	0.823	S	S	*	*			cis	-141.7	144	4.7	-85.6	-97.2	0	0	0	112.4
213	T	35.1	Very low	29.6	Very low	126 Å²	126	150.2 Å²	150.2	77%	0.773	81%	0.811	S	S	*	*			trans	-91.5	157.8	159.9	49.9	0	0	0	0	110.6
214	P	30.4	Very low	30.7	Very low	119 Å²	119	143.5 Å²	143.5	77%	0.773	80%	0.799	S	S	*	*				-138.4	135.4	101.4	29.9	-14	0	0	0	112.3
215	Q	30.5	Very low	32.4	Very low	184 Å²	184	146.8 Å²	146.8	86%	0.86	80%	0.8	S	S	*	*				105.7	124	53.6	-162.4	171.8	27.3	0	0	110.7
216	N	30.4	Very low	33.7	Very low	155 Å²	155	142.9 Å²	142.9	83%	0.829	77%	0.772	S	S	*	*			trans	-53	141.4	-167.8	-62.5	-32.6	0	0	0	117.4
217	R	28.4	Very low	35.7	Very low	239 Å²	239	138.5 Å²	138.5	90%	0.902	75%	0.752	S	S	*	*				168.4	164.9	112.5	-95.3	-176.6	170.6	174.8	-2.4	111.6
218	P	32.2	Very low	37.2	Very low	114 Å²	114	142.2 Å²	142.2	74%	0.74	76%	0.756	S	S	*	*			cis	-114.8	163.3	2.2	39.2	-27.8	0	0	0	115
219	H	39.9	Very low	39.1	Very low	196 Å²	196	130.9 Å²	130.9	91%	0.907	72%	0.719	S	S	*	*			trans	-73.2	134.9	158.7	-68.1	-64.4	0	0	0	109.5
220	G	25.6	Very low	41.5	Very low	61 Å²	61	131.2 Å²	131.2	63%	0.629	70%	0.697	S	S	*	*			trans	-160	112.2	172.6	0	0	0	0	0	109.5
221	H	26.9	Very low	43.8	Very low	189 Å²	189	125 Å²	125	88%	0.875	67%	0.668	S	S	*	*			trans	72.2	91	-175.6	-51.5	-68.2	0	0	0	116.5	P223	H221-P223 WeakPolarHBondContact O-CD 3.38Å
222	Q	32	Very low	46.6	Very low	185 Å²	185	126.3 Å²	126.3	86%	0.864	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-69.7	126.5	149.5	-87.6	173.1	-69.6	0	0	109
223	P	35.2	Very low	48.9	Very low	99 Å²	99	121.8 Å²	121.8	64%	0.643	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-76.2	162.5	160.4	-6	24.9	0	0	0	110.2	H221	H221-P223 WeakPolarHBondContact O-CD 3.38Å
224	P	46.3	Very low	51	Low	105 Å²	105	119.2 Å²	119.2	68%	0.682	62%	0.618	S	S	*	*	S	Bend	trans	-64	152.4	-166.4	25.5	-35.2	0	0	0	114.4	R256	P224-R256 PolarHBondContact O-NH1 3.02Å
225	D	60	Low	53.1	Low	140 Å²	140	115.4 Å²	115.4	75%	0.749	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-50.6	135.6	-163	-63.5	-60.8	0	0	0	114.6
226	L	62.4	Low	54.8	Low	42 Å²	42	114.1 Å²	114.1	22%	0.22	60%	0.597	C	S	.	*	P	Polyproline II helix	trans	-69	148.3	164.5	-78.6	159.7	0	0	0	109.2	E228 Q232 F242 P255 R256	L226-E228 PolarHBondContact O-N 2.65Å; L226-Q232 HydrophobicContact CD1-CB 3.83Å; L226-F242 HydrophobicContact CD1-CD1 4.38Å; L226-F242 HydrophobicContact CD2-CD1 3.84Å; L226-F242 HydrophobicContact CD2-CE1 3.85Å; L226-P255 HydrophobicContact CD2-CG 4.17Å; L226-R256 HydrophobicContact CD2-CG 4.26Å
227	P	66.6	Low	56.6	Low	55 Å²	55	114 Å²	114	36%	0.357	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-53.5	139.1	176.9	-25.2	34.4	0	0	0	111.4	G229 Y230 P255 R256	P227-G229 PolarHBondContact O-N 3.46Å; P227-G229 VanDerWaalsContact O-N 3.14Å; P227-Y230 HydrophobicContact CB-CD2 4.18Å; P227-Y230 PolarHBondContact O-N 2.98Å; P227-P255 HydrophobicContact CG-CB 4.41Å; P227-P255 HydrophobicContact CG-CG 4.45Å; P227-R256 HydrophobicContact CG-CG 4.28Å
228	E	60.1	Low	58.7	Low	191 Å²	191	103.4 Å²	103.4	89%	0.893	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	119.3	-171	-156.7	174.8	-158.2	0	0	111.1	L226	L226-E228 PolarHBondContact O-N 2.65Å
229	G	66.8	Low	60.9	Low	16 Å²	16	100.9 Å²	100.9	17%	0.165	54%	0.535	C	S	.	.	T	Hydrogen-bonded Turn	trans	102	-7.1	-173.6	0	0	0	0	0	116.2	P227 H244 T245	P227-G229 PolarHBondContact O-N 3.46Å; P227-G229 VanDerWaalsContact O-N 3.14Å; G229-H244 CarbonylContact O-C 3.52Å; G229-H244 WeakPolarHBondContact O-CA 3.47Å; G229-H244 PolarHBondContact O-CD2 2.87Å; G229-H244 VanDerWaalsContact O-CD2 3.24Å; G229-T245 PolarHBondContact O-N 3Å; G229-T245 PolarHBondContact O-OG1 3.05Å; G229-T245 VanDerWaalsContact O-OG1 3.11Å
230	Y	75.8	Confident	62.9	Low	82 Å²	82	91.7 Å²	91.7	32%	0.322	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.5	174	-77.6	-89.6	0	0	0	113.5	P227 F242 H244 T251 P255	P227-Y230 HydrophobicContact CB-CD2 4.18Å; P227-Y230 PolarHBondContact O-N 2.98Å; Y230-F242 HydrophobicContact CD1-CB 4.31Å; Y230-H244 HydrophobicContact CD1-CB 4.1Å; Y230-H244 AromaticContact CD2-CD2 3.57Å; Y230-H244 HydrophobicContact CE1-CB 3.72Å; Y230-H244 AromaticContact CE2-CD2 3.35Å; Y230-H244 WeakPolarHBondContact CE2-CD2 3.46Å; Y230-H244 AromaticContact CZ-CD2 3.64Å; Y230-H244 AromaticContact CZ-CG 3.96Å; Y230-T251 HydrophobicContact CE1-CG2 4.41Å; Y230-P255 HydrophobicContact CD1-CB 4.27Å; Y230-P255 HydrophobicContact CD1-CG 3.84Å; Y230-P255 HydrophobicContact CD2-CB 4.36Å; Y230-P255 HydrophobicContact CD2-CG 4.28Å; Y230-P255 HydrophobicContact CE1-CB 4.24Å; Y230-P255 HydrophobicContact CE1-CG 4.29Å; Y230-P255 HydrophobicContact CE2-CB 4.35Å; Y230-P255 HydrophobicContact CG-CB 4.32Å; Y230-P255 HydrophobicContact CG-CG 3.83Å
231	E	79	Confident	65.5	Low	74 Å²	74	91.3 Å²	91.3	35%	0.346	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.4	176.2	-168.7	-168.2	151.4	0	0	110.2	R233 F242 L243 T245	E231-R233 HydrophobicContact CG-CG 4.4Å; E231-R233 IonicContact OE1-CZ 3.19Å; E231-R233 IonicContact OE1-NE 2.72Å; E231-R233 PolarHBondContact OE1-NE 3.39Å; E231-R233 IonicContact OE1-NH2 2.81Å; E231-R233 PolarHBondContact OE1-NH2 2.81Å; E231-R233 IonicContact OE2-CZ 3.31Å; E231-R233 VanDerWaalsContact OE2-CZ 3.31Å; E231-R233 IonicContact OE2-NE 3.38Å; E231-R233 PolarHBondContact OE2-NE 3.43Å; E231-R233 IonicContact OE2-NH2 2.67Å; E231-R233 PolarHBondContact OE2-NH2 3.37Å; E231-F242 WeakPolarHBondContact O-CA 3.41Å; E231-L243 PolarHBondContact N-O 2.92Å; E231-L243 PolarHBondContact O-N 3.45Å; E231-T245 HydrophobicContact CB-CG2 3.89Å
232	Q	83.7	Confident	68.2	Low	87 Å²	87	82.8 Å²	82.8	41%	0.407	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131	172.7	-177.2	179.3	-34.5	0	0	110.2	L226 V240 F242	L226-Q232 HydrophobicContact CD1-CB 3.83Å; Q232-V240 HydrophobicContact CG-CG1 3.63Å; Q232-F242 HydrophobicContact CB-CD1 3.76Å; Q232-F242 HydrophobicContact CB-CE1 3.75Å; Q232-F242 HydrophobicContact CG-CD1 4.04Å; Q232-F242 HydrophobicContact CG-CE1 3.68Å; Q232-F242 HydrophobicContact CG-CZ 4.25Å
233	R	79.9	Confident	70.4	Confident	98 Å²	98	75.3 Å²	75.3	37%	0.37	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.3	178.2	-69.6	-171.8	172.6	176.5	3.7	111.1	E231 Y241	E231-R233 HydrophobicContact CG-CG 4.4Å; E231-R233 IonicContact OE1-CZ 3.19Å; E231-R233 IonicContact OE1-NE 2.72Å; E231-R233 PolarHBondContact OE1-NE 3.39Å; E231-R233 IonicContact OE1-NH2 2.81Å; E231-R233 PolarHBondContact OE1-NH2 2.81Å; E231-R233 IonicContact OE2-CZ 3.31Å; E231-R233 VanDerWaalsContact OE2-CZ 3.31Å; E231-R233 IonicContact OE2-NE 3.38Å; E231-R233 PolarHBondContact OE2-NE 3.43Å; E231-R233 IonicContact OE2-NH2 2.67Å; E231-R233 PolarHBondContact OE2-NH2 3.37Å; R233-Y241 HydrophobicContact CB-CD1 4.27Å; R233-Y241 HydrophobicContact CB-CE1 3.65Å; R233-Y241 HydrophobicContact CB-CE2 4.01Å; R233-Y241 PolarHBondContact N-O 3.34Å; R233-Y241 WeakPolarHBondContact O-CD1 3.49Å; R233-Y241 PolarHBondContact O-N 2.8Å
234	T	79.4	Confident	72.7	Confident	72 Å²	72	71.9 Å²	71.9	44%	0.442	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.2	178.3	-49.2	0	0	0	0	109.4	Q239 T295	T234-Q239 CarbonylContact C-O 3.5Å; T234-Q239 WeakPolarHBondContact CA-O 3.25Å; T234-T295 HydrophobicContact CG2-CG2 4.1Å
235	T	74.9	Confident	74	Confident	40 Å²	40	70.6 Å²	70.6	25%	0.245	36%	0.364	C	S	.	.			trans	-73.2	164.9	174.2	69.6	0	0	0	0	111.3	Q237 G238 Q239 Y241 W252	T235-Q237 PolarHBondContact O-N 3.43Å; T235-Q237 PolarHBondContact OG1-N 3.31Å; T235-G238 PolarHBondContact O-N 3.01Å; T235-Q239 HydrophobicContact CG2-CB 4.24Å; T235-Q239 PolarHBondContact N-O 3.09Å; T235-Q239 WeakPolarHBondContact OG1-CB 3.32Å; T235-Q239 PolarHBondContact OG1-N 3.07Å; T235-Q239 VanDerWaalsContact OG1-N 3.12Å; T235-Y241 HydrophobicContact CG2-CD1 3.85Å; T235-Y241 HydrophobicContact CG2-CE1 3.89Å; T235-W252 HydrophobicContact CG2-CH2 4.01Å; T235-W252 HydrophobicContact CG2-CZ3 4.42Å
236	V	65.4	Low	74.7	Confident	156 Å²	156	71 Å²	71	95%	0.945	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.6	173.5	-59.9	0	0	0	0	113.9
237	Q	68.6	Low	75.4	Confident	154 Å²	154	73.3 Å²	73.3	72%	0.72	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	9.8	175	-63.5	-178.3	-10.2	0	0	112.9	T235	T235-Q237 PolarHBondContact O-N 3.43Å; T235-Q237 PolarHBondContact OG1-N 3.31Å
238	G	72.3	Confident	75.6	Confident	16 Å²	16	73.2 Å²	73.2	17%	0.165	39%	0.387	C	S	.	.	S	Bend	trans	79.3	12.6	178.8	0	0	0	0	0	115	T235 T295 T296	T235-G238 PolarHBondContact O-N 3.01Å; G238-T295 CarbonylContact O-C 3.52Å; G238-T295 WeakPolarHBondContact O-CA 3.27Å; G238-T295 WeakPolarHBondContact O-CB 3.28Å; G238-T296 PolarHBondContact O-N 3.18Å
239	Q	78.3	Confident	76.3	Confident	60 Å²	60	68.6 Å²	68.6	28%	0.28	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-87.8	129	179.8	-54.6	179.1	-38.9	0	0	110.9	T234 T235 W252 T296	T234-Q239 CarbonylContact C-O 3.5Å; T234-Q239 WeakPolarHBondContact CA-O 3.25Å; T235-Q239 HydrophobicContact CG2-CB 4.24Å; T235-Q239 PolarHBondContact N-O 3.09Å; T235-Q239 WeakPolarHBondContact OG1-CB 3.32Å; T235-Q239 PolarHBondContact OG1-N 3.07Å; T235-Q239 VanDerWaalsContact OG1-N 3.12Å; Q239-W252 HydrophobicContact CB-CH2 4.26Å; Q239-W252 HydrophobicContact CB-CZ3 3.72Å; Q239-T296 WeakPolarHBondContact CA-O 3.37Å
240	V	82.1	Confident	77	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.018	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.4	179.6	-175.9	0	0	0	0	110.6	Q232 F242 T295 T296 Q297	Q232-V240 HydrophobicContact CG-CG1 3.63Å; V240-F242 HydrophobicContact CG1-CE2 4.49Å; V240-F242 HydrophobicContact CG1-CZ 4.37Å; V240-T295 HydrophobicContact CG2-CG2 4.27Å; V240-T296 PolarHBondContact N-O 2.87Å; V240-Q297 HydrophobicContact CB-CB 4.25Å
241	Y	79.6	Confident	77	Confident	54 Å²	54	69.3 Å²	69.3	21%	0.212	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	162.9	172.1	72	-82	0	0	0	110.7	R233 T235 L243 T251	R233-Y241 HydrophobicContact CB-CD1 4.27Å; R233-Y241 HydrophobicContact CB-CE1 3.65Å; R233-Y241 HydrophobicContact CB-CE2 4.01Å; R233-Y241 PolarHBondContact N-O 3.34Å; R233-Y241 WeakPolarHBondContact O-CD1 3.49Å; R233-Y241 PolarHBondContact O-N 2.8Å; T235-Y241 HydrophobicContact CG2-CD1 3.85Å; T235-Y241 HydrophobicContact CG2-CE1 3.89Å; Y241-L243 HydrophobicContact CE2-CB 4.23Å; Y241-T251 WeakPolarHBondContact CA-O 3.33Å; Y241-T251 WeakPolarHBondContact CB-O 3.4Å
242	F	84.6	Confident	77	Confident	9 Å²	9	70.8 Å²	70.8	4%	0.039	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.8	178.4	-53.7	-93.6	0	0	0	109.1	L226 Y230 E231 Q232 V240 S250 T251 D254	L226-F242 HydrophobicContact CD1-CD1 4.38Å; L226-F242 HydrophobicContact CD2-CD1 3.84Å; L226-F242 HydrophobicContact CD2-CE1 3.85Å; Y230-F242 HydrophobicContact CD1-CB 4.31Å; E231-F242 WeakPolarHBondContact O-CA 3.41Å; Q232-F242 HydrophobicContact CB-CD1 3.76Å; Q232-F242 HydrophobicContact CB-CE1 3.75Å; Q232-F242 HydrophobicContact CG-CD1 4.04Å; Q232-F242 HydrophobicContact CG-CE1 3.68Å; Q232-F242 HydrophobicContact CG-CZ 4.25Å; V240-F242 HydrophobicContact CG1-CE2 4.49Å; V240-F242 HydrophobicContact CG1-CZ 4.37Å; F242-S250 CarbonylContact O-C 3.6Å; F242-S250 VanDerWaalsContact O-CA 3.27Å; F242-S250 WeakPolarHBondContact O-CA 3.36Å; F242-T251 HydrophobicContact CB-CG2 3.95Å; F242-T251 PolarHBondContact N-O 3.32Å; F242-T251 PolarHBondContact O-N 2.74Å; F242-D254 HydrophobicContact CE1-CB 4.45Å; F242-D254 VanDerWaalsContact CE2-CA 3.41Å; F242-D254 HydrophobicContact CE2-CB 3.73Å; F242-D254 HydrophobicContact CZ-CB 3.69Å; F242-D254 WeakPolarHBondContact CZ-OD2 3.28Å
243	L	78.2	Confident	76.5	Confident	29 Å²	29	71.8 Å²	71.8	15%	0.152	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.9	179.7	178.6	65.5	0	0	0	109.3	E231 Y241 T245	E231-L243 PolarHBondContact N-O 2.92Å; E231-L243 PolarHBondContact O-N 3.45Å; Y241-L243 HydrophobicContact CE2-CB 4.23Å; L243-T245 PolarHBondContact O-N 3.36Å
244	H	82.4	Confident	76.3	Confident	26 Å²	26	67.5 Å²	67.5	12%	0.12	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	109.2	169.1	-168.2	-117.5	0	0	0	109.5	G229 Y230 Q246 T247 G248 V249	G229-H244 CarbonylContact O-C 3.52Å; G229-H244 WeakPolarHBondContact O-CA 3.47Å; G229-H244 PolarHBondContact O-CD2 2.87Å; G229-H244 VanDerWaalsContact O-CD2 3.24Å; Y230-H244 HydrophobicContact CD1-CB 4.1Å; Y230-H244 AromaticContact CD2-CD2 3.57Å; Y230-H244 HydrophobicContact CE1-CB 3.72Å; Y230-H244 AromaticContact CE2-CD2 3.35Å; Y230-H244 WeakPolarHBondContact CE2-CD2 3.46Å; Y230-H244 AromaticContact CZ-CD2 3.64Å; Y230-H244 AromaticContact CZ-CG 3.96Å; H244-Q246 VanDerWaalsContact C-N 3.29Å; H244-Q246 PolarHBondContact O-N 2.68Å; H244-T247 WeakPolarHBondContact ND1-CG2 3.21Å; H244-T247 PolarHBondContact ND1-N 3.21Å; H244-T247 PolarHBondContact ND1-OG1 3.19Å; H244-T247 PolarHBondContact O-N 3.26Å; H244-G248 WeakPolarHBondContact O-CA 3.42Å; H244-G248 PolarHBondContact O-N 3.34Å; H244-V249 PolarHBondContact N-O 3.49Å
245	T	74.8	Confident	75.9	Confident	79 Å²	79	66.1 Å²	66.1	49%	0.485	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-28.2	-169.6	59	0	0	0	0	113.1	G229 E231 L243	G229-T245 PolarHBondContact O-N 3Å; G229-T245 PolarHBondContact O-OG1 3.05Å; G229-T245 VanDerWaalsContact O-OG1 3.11Å; E231-T245 HydrophobicContact CB-CG2 3.89Å; L243-T245 PolarHBondContact O-N 3.36Å
246	Q	73.9	Confident	75.6	Confident	147 Å²	147	66.9 Å²	66.9	69%	0.687	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-28.2	-179	-57.9	174.6	8.9	0	0	113.5	H244	H244-Q246 VanDerWaalsContact C-N 3.29Å; H244-Q246 PolarHBondContact O-N 2.68Å
247	T	76.1	Confident	75.7	Confident	91 Å²	91	60 Å²	60	56%	0.558	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-10	-179.3	62.6	0	0	0	0	114	H244 V249	H244-T247 WeakPolarHBondContact ND1-CG2 3.21Å; H244-T247 PolarHBondContact ND1-N 3.21Å; H244-T247 PolarHBondContact ND1-OG1 3.19Å; H244-T247 PolarHBondContact O-N 3.26Å; T247-V249 PolarHBondContact O-N 3.09Å
248	G	72.3	Confident	75.3	Confident	54 Å²	54	56 Å²	56	56%	0.557	31%	0.311	S	S	*	.			trans	71.7	6.9	-177	0	0	0	0	0	114.9	H244	H244-G248 WeakPolarHBondContact O-CA 3.42Å; H244-G248 PolarHBondContact O-N 3.34Å
249	V	74.9	Confident	74.5	Confident	93 Å²	93	65.8 Å²	65.8	56%	0.564	34%	0.343	S	S	*	.			trans	-83.5	130.9	-177.5	178.8	0	0	0	0	110.4	H244 T247	H244-V249 PolarHBondContact N-O 3.49Å; T247-V249 PolarHBondContact O-N 3.09Å
250	S	80	Confident	73.5	Confident	72 Å²	72	69.4 Å²	69.4	50%	0.503	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	149.1	174.7	55.5	0	0	0	0	113.1	F242	F242-S250 CarbonylContact O-C 3.6Å; F242-S250 VanDerWaalsContact O-CA 3.27Å; F242-S250 WeakPolarHBondContact O-CA 3.36Å
251	T	77.1	Confident	72.1	Confident	41 Å²	41	72.2 Å²	72.2	25%	0.252	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146.6	177.4	173.9	0	0	0	0	111.2	Y230 Y241 F242 H253	Y230-T251 HydrophobicContact CE1-CG2 4.41Å; Y241-T251 WeakPolarHBondContact CA-O 3.33Å; Y241-T251 WeakPolarHBondContact CB-O 3.4Å; F242-T251 HydrophobicContact CB-CG2 3.95Å; F242-T251 PolarHBondContact N-O 3.32Å; F242-T251 PolarHBondContact O-N 2.74Å; T251-H253 WeakPolarHBondContact CG2-O 3.32Å; T251-H253 PolarHBondContact OG1-N 3Å; T251-H253 VanDerWaalsContact OG1-N 3.15Å; T251-H253 PolarHBondContact OG1-O 3.16Å
252	W	77.8	Confident	70.8	Confident	106 Å²	106	72.4 Å²	72.4	40%	0.402	39%	0.392	S	S	.	.	S	Bend	trans	-89.5	-7.5	175	-62.1	104.2	0	0	0	113.5	T235 Q239 F298	T235-W252 HydrophobicContact CG2-CH2 4.01Å; T235-W252 HydrophobicContact CG2-CZ3 4.42Å; Q239-W252 HydrophobicContact CB-CH2 4.26Å; Q239-W252 HydrophobicContact CB-CZ3 3.72Å; W252-F298 HydrophobicContact CB-CD2 4.06Å; W252-F298 HydrophobicContact CE3-CD2 4.49Å; W252-F298 HydrophobicContact CG-CD2 4.49Å
253	H	73.8	Confident	69.2	Low	107 Å²	107	76.5 Å²	76.5	50%	0.495	42%	0.422	S	S	.	.	S	Bend	trans	-105.3	137.2	177.9	-63	-75.2	0	0	0	110.5	T251 T299	T251-H253 WeakPolarHBondContact CG2-O 3.32Å; T251-H253 PolarHBondContact OG1-N 3Å; T251-H253 VanDerWaalsContact OG1-N 3.15Å; T251-H253 PolarHBondContact OG1-O 3.16Å; H253-T299 WeakPolarHBondContact CA-OG1 3.45Å
254	D	76.8	Confident	68.1	Low	9 Å²	9	77.6 Å²	77.6	5%	0.048	43%	0.429	C	S	.	.			trans	-66.4	122.7	-179.6	-168	-41.1	0	0	0	110.8	F242 R256 I257 T299 H304	F242-D254 HydrophobicContact CE1-CB 4.45Å; F242-D254 VanDerWaalsContact CE2-CA 3.41Å; F242-D254 HydrophobicContact CE2-CB 3.73Å; F242-D254 HydrophobicContact CZ-CB 3.69Å; F242-D254 WeakPolarHBondContact CZ-OD2 3.28Å; D254-R256 PolarHBondContact O-N 2.86Å; D254-R256 VanDerWaalsContact O-N 3.16Å; D254-R256 VanDerWaalsContact OD1-CB 3.25Å; D254-R256 WeakPolarHBondContact OD1-CB 3.47Å; D254-R256 WeakPolarHBondContact OD1-CG 3.35Å; D254-R256 IonicContact OD1-CZ 2.71Å; D254-R256 PolarHBondContact OD1-N 3.23Å; D254-R256 IonicContact OD1-NE 2.98Å; D254-R256 PolarHBondContact OD1-NE 3.31Å; D254-R256 IonicContact OD1-NH2 2.74Å; D254-R256 IonicContact OD2-CZ 3.84Å; D254-R256 IonicContact OD2-NE 3.22Å; D254-R256 PolarHBondContact OD2-NE 2.97Å; D254-R256 IonicContact OD2-NH2 3.8Å; D254-R256 PolarHBondContact OD2-NH2 3.09Å; D254-I257 HydrophobicContact CB-CD1 4.38Å; D254-I257 PolarHBondContact O-N 2.86Å; D254-T299 HydrophobicContact CB-CG2 4.19Å; D254-T299 PolarHBondContact N-OG1 2.89Å; D254-H304 IonicContact OD2-CE1 3.29Å; D254-H304 PolarHBondContact OD2-CE1 2.82Å; D254-H304 IonicContact OD2-NE2 2.82Å; D254-H304 PolarHBondContact OD2-NE2 3.04Å; D254-H304 VanDerWaalsContact OD2-NE2 3.1Å
255	P	69.6	Low	66.7	Low	42 Å²	42	78.9 Å²	78.9	27%	0.273	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.9	-177.7	29.3	-37	0	0	0	113.9	L226 P227 Y230 I257	L226-P255 HydrophobicContact CD2-CG 4.17Å; P227-P255 HydrophobicContact CG-CB 4.41Å; P227-P255 HydrophobicContact CG-CG 4.45Å; Y230-P255 HydrophobicContact CD1-CB 4.27Å; Y230-P255 HydrophobicContact CD1-CG 3.84Å; Y230-P255 HydrophobicContact CD2-CB 4.36Å; Y230-P255 HydrophobicContact CD2-CG 4.28Å; Y230-P255 HydrophobicContact CE1-CB 4.24Å; Y230-P255 HydrophobicContact CE1-CG 4.29Å; Y230-P255 HydrophobicContact CE2-CB 4.35Å; Y230-P255 HydrophobicContact CG-CB 4.32Å; Y230-P255 HydrophobicContact CG-CG 3.83Å; P255-I257 VanDerWaalsContact C-N 3.3Å
256	R	68.9	Low	65.7	Low	56 Å²	56	77.2 Å²	77.2	21%	0.211	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-17.1	176.2	-65.5	172.7	-73.2	-163.2	-0.8	113.4	P224 L226 P227 D254 H304	P224-R256 PolarHBondContact O-NH1 3.02Å; L226-R256 HydrophobicContact CD2-CG 4.26Å; P227-R256 HydrophobicContact CG-CG 4.28Å; D254-R256 PolarHBondContact O-N 2.86Å; D254-R256 VanDerWaalsContact O-N 3.16Å; D254-R256 VanDerWaalsContact OD1-CB 3.25Å; D254-R256 WeakPolarHBondContact OD1-CB 3.47Å; D254-R256 WeakPolarHBondContact OD1-CG 3.35Å; D254-R256 IonicContact OD1-CZ 2.71Å; D254-R256 PolarHBondContact OD1-N 3.23Å; D254-R256 IonicContact OD1-NE 2.98Å; D254-R256 PolarHBondContact OD1-NE 3.31Å; D254-R256 IonicContact OD1-NH2 2.74Å; D254-R256 IonicContact OD2-CZ 3.84Å; D254-R256 IonicContact OD2-NE 3.22Å; D254-R256 PolarHBondContact OD2-NE 2.97Å; D254-R256 IonicContact OD2-NH2 3.8Å; D254-R256 PolarHBondContact OD2-NH2 3.09Å; R256-H304 PolarHBondContact NH2-NE2 3.48Å
257	I	67.3	Low	64.7	Low	13 Å²	13	78 Å²	78	7%	0.067	44%	0.436	C	S	.	.	S	Bend	trans	-101.9	118.7	-176.3	-68.9	162.9	0	0	0	109.1	D254 P255 R259 L261 T299 L303 I307	D254-I257 HydrophobicContact CB-CD1 4.38Å; D254-I257 PolarHBondContact O-N 2.86Å; P255-I257 VanDerWaalsContact C-N 3.3Å; I257-R259 PolarHBondContact O-N 2.79Å; I257-L261 HydrophobicContact CG2-CB 4.31Å; I257-T299 HydrophobicContact CD1-CG2 3.42Å; I257-T299 VanDerWaalsContact CD1-CG2 3.42Å; I257-L303 HydrophobicContact CD1-CB 3.64Å; I257-L303 HydrophobicContact CD1-CD1 4.29Å; I257-L303 HydrophobicContact CG1-CB 4.25Å; I257-L303 HydrophobicContact CG2-CD1 4.17Å; I257-I307 HydrophobicContact CG1-CD1 3.76Å
258	P	61.3	Low	63.8	Low	68 Å²	68	81.4 Å²	81.4	44%	0.442	45%	0.446	S	S	.	.			trans	-54.5	137.2	174.2	-26.3	35	0	0	0	111.3	D260 L261 A262	P258-D260 PolarHBondContact O-N 3.13Å; P258-D260 VanDerWaalsContact O-N 3.07Å; P258-L261 HydrophobicContact CB-CD1 4.4Å; P258-L261 HydrophobicContact CG-CD1 4.15Å; P258-L261 PolarHBondContact O-N 3.36Å; P258-A262 PolarHBondContact O-N 3.19Å
259	R	55.7	Low	63.2	Low	222 Å²	222	80.4 Å²	80.4	84%	0.838	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.9	-174.9	-75.2	-173.7	176.1	-171.9	-0.1	113.3	I257 L261 A262	I257-R259 PolarHBondContact O-N 2.79Å; R259-L261 VanDerWaalsContact C-N 3.29Å; R259-L261 PolarHBondContact O-N 3.38Å; R259-A262 WeakPolarHBondContact O-CB 3.38Å; R259-A262 PolarHBondContact O-N 2.7Å
260	D	55.7	Low	62.7	Low	137 Å²	137	78 Å²	78	73%	0.733	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-23.9	-179.2	-46.4	-39.2	0	0	0	112.7	P258 S263	P258-D260 PolarHBondContact O-N 3.13Å; P258-D260 VanDerWaalsContact O-N 3.07Å; D260-S263 PolarHBondContact O-OG 3.15Å
261	L	53.8	Low	62.3	Low	61 Å²	61	80.6 Å²	80.6	32%	0.319	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-19.4	174.3	-77.6	165.5	0	0	0	113	I257 P258 R259 S263 V264	I257-L261 HydrophobicContact CG2-CB 4.31Å; P258-L261 HydrophobicContact CB-CD1 4.4Å; P258-L261 HydrophobicContact CG-CD1 4.15Å; P258-L261 PolarHBondContact O-N 3.36Å; R259-L261 VanDerWaalsContact C-N 3.29Å; R259-L261 PolarHBondContact O-N 3.38Å; L261-S263 PolarHBondContact O-N 3.36Å; L261-V264 HydrophobicContact CD2-CG2 4.02Å; L261-V264 WeakPolarHBondContact O-CG2 3.1Å; L261-V264 PolarHBondContact O-N 3.36Å
262	A	52.8	Low	62.4	Low	58 Å²	58	81.2 Å²	81.2	48%	0.479	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-9.1	174.3	0	0	0	0	0	113.3	P258 R259	P258-A262 PolarHBondContact O-N 3.19Å; R259-A262 WeakPolarHBondContact O-CB 3.38Å; R259-A262 PolarHBondContact O-N 2.7Å
263	S	51	Low	62.5	Low	96 Å²	96	78.5 Å²	78.5	67%	0.671	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	2.8	175.8	32.5	0	0	0	0	115.2	D260 L261	D260-S263 PolarHBondContact O-OG 3.15Å; L261-S263 PolarHBondContact O-N 3.36Å
264	V	55.1	Low	62.5	Low	52 Å²	52	79.9 Å²	79.9	32%	0.315	45%	0.45	S	S	.	.	S	Bend	trans	-68.3	138.5	175.7	177.4	0	0	0	0	110.2	L261 L269	L261-V264 HydrophobicContact CD2-CG2 4.02Å; L261-V264 WeakPolarHBondContact O-CG2 3.1Å; L261-V264 PolarHBondContact O-N 3.36Å; V264-L269 HydrophobicContact CG1-CD2 4.4Å
265	S	52.8	Low	62.5	Low	52 Å²	52	80.8 Å²	80.8	36%	0.364	46%	0.461	S	S	.	.			trans	-63	138.7	178.9	-175.3	0	0	0	0	111	E267 E268	S265-E267 PolarHBondContact O-N 3.05Å; S265-E267 PolarHBondContact OG-N 3.27Å; S265-E267 PolarHBondContact OG-OE2 3.27Å; S265-E268 PolarHBondContact O-N 3.24Å
266	C	53.3	Low	63.1	Low	45 Å²	45	81.2 Å²	81.2	30%	0.304	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-16.7	173.9	174.6	0	0	0	0	113.5	R302	C266-R302 PolarHBondContact O-NH1 2.96Å; C266-R302 PolarHBondContact O-NH2 3.24Å; C266-R302 PolarHBondContact SG-NH2 3.32Å
267	E	52.9	Low	63.7	Low	164 Å²	164	81.8 Å²	81.8	77%	0.766	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-28.4	-172	-63.8	161.7	147.7	0	0	113.8	S265	S265-E267 PolarHBondContact O-N 3.05Å; S265-E267 PolarHBondContact OG-N 3.27Å; S265-E267 PolarHBondContact OG-OE2 3.27Å
268	E	56.3	Low	64.6	Low	162 Å²	162	83.7 Å²	83.7	76%	0.757	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-15.8	-179.7	-70.5	-175.1	135.2	0	0	113.4	S265 G270	S265-E268 PolarHBondContact O-N 3.24Å; E268-G270 PolarHBondContact O-N 2.95Å
269	L	60	Low	65.3	Low	33 Å²	33	85.5 Å²	85.5	17%	0.173	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	8.7	-167.7	-61.4	177.7	0	0	0	115.1	V264 R302 L303 I306	V264-L269 HydrophobicContact CG1-CD2 4.4Å; L269-R302 HydrophobicContact CB-CB 4.27Å; L269-R302 HydrophobicContact CD1-CB 4.5Å; L269-R302 WeakPolarHBondContact O-CD 3.27Å; L269-L303 HydrophobicContact CD1-CD2 3.95Å; L269-L303 HydrophobicContact CD1-CG 4.28Å; L269-L303 HydrophobicContact CD2-CD2 4.32Å; L269-I306 HydrophobicContact CD2-CD1 3.35Å
270	G	63.9	Low	66.3	Low	43 Å²	43	78.9 Å²	78.9	44%	0.443	46%	0.46	S	S	.	.			trans	71.3	-171.2	-178	0	0	0	0	0	114.1	E268 R302	E268-G270 PolarHBondContact O-N 2.95Å; G270-R302 PolarHBondContact O-NH1 3.09Å
271	P	72.8	Confident	67.2	Low	125 Å²	125	74.3 Å²	74.3	81%	0.812	44%	0.437	S	S	*	.	S	Bend	trans	-67.2	149.7	-179.5	28.1	-34.4	0	0	0	112.6
272	L	78.1	Confident	67.4	Low	54 Å²	54	79.2 Å²	79.2	28%	0.283	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-65.5	149.1	173.4	-71	162.8	0	0	0	111.2	W276 V278 F288 P301 R302	L272-W276 HydrophobicContact CB-CB 4.37Å; L272-V278 HydrophobicContact CD1-CB 4.23Å; L272-V278 HydrophobicContact CD1-CG2 3.65Å; L272-V278 HydrophobicContact CD2-CG2 4.27Å; L272-F288 HydrophobicContact CD2-CD1 4.25Å; L272-F288 HydrophobicContact CD2-CE1 4.3Å; L272-P301 HydrophobicContact CD2-CG 4.42Å; L272-R302 HydrophobicContact CD2-CG 4.47Å
273	P	79.7	Confident	67.8	Low	49 Å²	49	80.7 Å²	80.7	32%	0.318	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-59.1	152.1	172.6	-21	32.7	0	0	0	112.1	G275 W276	P273-G275 PolarHBondContact O-N 2.93Å; P273-W276 HydrophobicContact CB-CG 4.49Å; P273-W276 WeakPolarHBondContact O-CB 3.41Å; P273-W276 PolarHBondContact O-N 3.14Å
274	V	74	Confident	68.2	Low	137 Å²	137	78.8 Å²	78.8	83%	0.83	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	131.3	-178.2	-179.5	0	0	0	0	110.8	N292	V274-N292 PolarHBondContact O-ND2 3.02Å; V274-N292 VanDerWaalsContact O-ND2 3.12Å
275	G	77.4	Confident	68.8	Low	28 Å²	28	85.2 Å²	85.2	29%	0.289	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	1.4	-177.1	0	0	0	0	0	115.3	P273 H291	P273-G275 PolarHBondContact O-N 2.93Å; G275-H291 WeakPolarHBondContact O-CB 3.13Å; G275-H291 PolarHBondContact O-CD2 3Å; G275-H291 PolarHBondContact O-N 3.45Å
276	W	82.8	Confident	69.9	Low	50 Å²	50	87 Å²	87	19%	0.189	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.2	173	-70.6	75.3	0	0	0	112.5	L272 P273 F288 V289 D290 Q297 P301	L272-W276 HydrophobicContact CB-CB 4.37Å; P273-W276 HydrophobicContact CB-CG 4.49Å; P273-W276 WeakPolarHBondContact O-CB 3.41Å; P273-W276 PolarHBondContact O-N 3.14Å; W276-F288 HydrophobicContact CE3-CB 4.07Å; W276-F288 HydrophobicContact CZ3-CB 4.09Å; W276-V289 CarbonylContact C-O 3.47Å; W276-V289 WeakPolarHBondContact CA-O 3.47Å; W276-D290 HydrophobicContact CD2-CB 3.92Å; W276-D290 HydrophobicContact CE3-CB 3.92Å; W276-D290 HydrophobicContact CH2-CB 3.69Å; W276-D290 HydrophobicContact CZ2-CB 3.63Å; W276-D290 WeakPolarHBondContact CZ2-OD2 3.41Å; W276-D290 HydrophobicContact CZ3-CB 3.83Å; W276-Q297 HydrophobicContact CH2-CG 4.33Å; W276-Q297 HydrophobicContact CZ3-CG 3.94Å; W276-P301 HydrophobicContact CD2-CB 4.04Å; W276-P301 HydrophobicContact CD2-CG 3.76Å; W276-P301 HydrophobicContact CE3-CB 4Å; W276-P301 HydrophobicContact CE3-CG 3.57Å; W276-P301 HydrophobicContact CG-CG 4.27Å; W276-P301 HydrophobicContact CH2-CB 3.91Å; W276-P301 HydrophobicContact CH2-CG 4.39Å; W276-P301 HydrophobicContact CZ2-CB 3.99Å; W276-P301 HydrophobicContact CZ3-CB 3.92Å; W276-P301 HydrophobicContact CZ3-CG 3.9Å
277	E	81.4	Confident	71.2	Confident	69 Å²	69	87.3 Å²	87.3	32%	0.322	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.2	179	-170.4	-168.2	153.8	0	0	110.8	R279 V289 H291	E277-R279 VanDerWaalsContact CD-NE 3.28Å; E277-R279 VanDerWaalsContact CD-NH2 3.31Å; E277-R279 HydrophobicContact CG-CG 4.43Å; E277-R279 IonicContact OE1-CZ 3.27Å; E277-R279 IonicContact OE1-NE 2.7Å; E277-R279 PolarHBondContact OE1-NE 3.42Å; E277-R279 IonicContact OE1-NH2 3.27Å; E277-R279 PolarHBondContact OE1-NH2 3.13Å; E277-R279 VanDerWaalsContact OE1-NH2 3.1Å; E277-R279 IonicContact OE2-CZ 3.29Å; E277-R279 IonicContact OE2-NE 3.39Å; E277-R279 PolarHBondContact OE2-NE 3.47Å; E277-R279 IonicContact OE2-NH2 3.05Å; E277-R279 PolarHBondContact OE2-NH2 3.41Å; E277-V289 HydrophobicContact CB-CB 4.38Å; E277-V289 PolarHBondContact N-O 2.88Å; E277-V289 PolarHBondContact O-N 2.78Å; E277-H291 IonicContact OE2-CD2 3.93Å; E277-H291 IonicContact OE2-CE1 2.72Å; E277-H291 PolarHBondContact OE2-CE1 2.84Å; E277-H291 IonicContact OE2-NE2 3.6Å; E277-H291 PolarHBondContact OE2-NE2 3.42Å
278	V	85.3	Confident	72.7	Confident	52 Å²	52	80.1 Å²	80.1	32%	0.315	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	131	171.4	159.5	0	0	0	0	110	L272 I286 F288	L272-V278 HydrophobicContact CD1-CB 4.23Å; L272-V278 HydrophobicContact CD1-CG2 3.65Å; L272-V278 HydrophobicContact CD2-CG2 4.27Å; V278-I286 HydrophobicContact CG1-CG2 3.82Å; V278-F288 HydrophobicContact CG2-CD1 3.45Å; V278-F288 VanDerWaalsContact CG2-CD1 3.45Å; V278-F288 HydrophobicContact CG2-CE1 3.35Å; V278-F288 HydrophobicContact CG2-CZ 4.34Å
279	R	77.3	Confident	73.8	Confident	106 Å²	106	73.1 Å²	73.1	40%	0.4	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	160.2	173.6	-66.9	-167.5	-180	170.5	7.6	111.1	E277 I286 Y287 V289	E277-R279 VanDerWaalsContact CD-NE 3.28Å; E277-R279 VanDerWaalsContact CD-NH2 3.31Å; E277-R279 HydrophobicContact CG-CG 4.43Å; E277-R279 IonicContact OE1-CZ 3.27Å; E277-R279 IonicContact OE1-NE 2.7Å; E277-R279 PolarHBondContact OE1-NE 3.42Å; E277-R279 IonicContact OE1-NH2 3.27Å; E277-R279 PolarHBondContact OE1-NH2 3.13Å; E277-R279 VanDerWaalsContact OE1-NH2 3.1Å; E277-R279 IonicContact OE2-CZ 3.29Å; E277-R279 IonicContact OE2-NE 3.39Å; E277-R279 PolarHBondContact OE2-NE 3.47Å; E277-R279 IonicContact OE2-NH2 3.05Å; E277-R279 PolarHBondContact OE2-NH2 3.41Å; R279-I286 CarbonylContact O-C 3.59Å; R279-I286 WeakPolarHBondContact O-CA 3.41Å; R279-Y287 HydrophobicContact CB-CD1 4.2Å; R279-Y287 HydrophobicContact CB-CE1 3.6Å; R279-Y287 HydrophobicContact CB-CE2 4.22Å; R279-Y287 PolarHBondContact N-O 3.46Å; R279-Y287 WeakPolarHBondContact O-CD1 3.32Å; R279-Y287 PolarHBondContact O-N 3.29Å; R279-V289 HydrophobicContact CB-CG2 4.49Å; R279-V289 HydrophobicContact CG-CG2 4.11Å
280	S	76.5	Confident	74.9	Confident	83 Å²	83	71.8 Å²	71.8	58%	0.58	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	143.1	171.4	54.8	0	0	0	0	110.9	R285	S280-R285 WeakPolarHBondContact CA-O 3.23Å
281	T	73.2	Confident	75.3	Confident	41 Å²	41	74.1 Å²	74.1	25%	0.252	42%	0.417	S	S	.	.			trans	-75.4	164.5	169.3	58.8	0	0	0	0	110.4	S283 G284 R285 Y287	T281-S283 PolarHBondContact O-N 2.74Å; T281-S283 PolarHBondContact OG1-OG 3.29Å; T281-S283 VanDerWaalsContact OG1-OG 3.07Å; T281-G284 PolarHBondContact O-N 3.1Å; T281-R285 PolarHBondContact N-O 3.48Å; T281-R285 WeakPolarHBondContact OG1-CB 3.2Å; T281-R285 PolarHBondContact OG1-N 3.19Å; T281-R285 PolarHBondContact OG1-O 2.8Å; T281-Y287 HydrophobicContact CG2-CD1 3.74Å; T281-Y287 HydrophobicContact CG2-CE1 3.89Å
282	V	59.1	Low	75.5	Confident	165 Å²	165	72.9 Å²	72.9	100%	1	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-15.9	175.3	-62.3	0	0	0	0	114.3
283	S	60.5	Low	75.2	Confident	89 Å²	89	75.9 Å²	75.9	62%	0.622	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	7.7	173.8	63.6	0	0	0	0	113.8	T281 R285	T281-S283 PolarHBondContact O-N 2.74Å; T281-S283 PolarHBondContact OG1-OG 3.29Å; T281-S283 VanDerWaalsContact OG1-OG 3.07Å; S283-R285 VanDerWaalsContact C-N 3.28Å; S283-R285 PolarHBondContact O-N 3.1Å
284	G	59.8	Low	75	Confident	55 Å²	55	84 Å²	84	57%	0.567	44%	0.444	S	S	*	.	S	Bend	trans	81	-6.4	-179	0	0	0	0	0	115.1	T281 I286	T281-G284 PolarHBondContact O-N 3.1Å; G284-I286 PolarHBondContact O-N 3.24Å
285	R	67.7	Low	75.2	Confident	187 Å²	187	78.6 Å²	78.6	71%	0.706	41%	0.411	S	S	*	.			trans	-70.1	129.9	177.2	-66.5	-174.3	177.6	-175.4	-0.8	111.2	S280 T281 S283	S280-R285 WeakPolarHBondContact CA-O 3.23Å; T281-R285 PolarHBondContact N-O 3.48Å; T281-R285 WeakPolarHBondContact OG1-CB 3.2Å; T281-R285 PolarHBondContact OG1-N 3.19Å; T281-R285 PolarHBondContact OG1-O 2.8Å; S283-R285 VanDerWaalsContact C-N 3.28Å; S283-R285 PolarHBondContact O-N 3.1Å
286	I	76.8	Confident	75.4	Confident	90 Å²	90	78.8 Å²	78.8	46%	0.462	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	143.6	177.5	-61.6	174.6	0	0	0	110.3	V278 R279 G284 F288	V278-I286 HydrophobicContact CG1-CG2 3.82Å; R279-I286 CarbonylContact O-C 3.59Å; R279-I286 WeakPolarHBondContact O-CA 3.41Å; G284-I286 PolarHBondContact O-N 3.24Å; I286-F288 HydrophobicContact CG2-CE2 4.48Å; I286-F288 HydrophobicContact CG2-CZ 4.36Å
287	Y	78.8	Confident	75.3	Confident	52 Å²	52	77.9 Å²	77.9	20%	0.204	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	161	170.8	72.5	-78.2	0	0	0	110.4	R279 T281 V289 T296	R279-Y287 HydrophobicContact CB-CD1 4.2Å; R279-Y287 HydrophobicContact CB-CE1 3.6Å; R279-Y287 HydrophobicContact CB-CE2 4.22Å; R279-Y287 PolarHBondContact N-O 3.46Å; R279-Y287 WeakPolarHBondContact O-CD1 3.32Å; R279-Y287 PolarHBondContact O-N 3.29Å; T281-Y287 HydrophobicContact CG2-CD1 3.74Å; T281-Y287 HydrophobicContact CG2-CE1 3.89Å; Y287-V289 HydrophobicContact CD2-CG2 4.18Å; Y287-V289 HydrophobicContact CE2-CG2 3.69Å; Y287-T296 HydrophobicContact CD2-CG2 4.39Å; Y287-T296 HydrophobicContact CE2-CG2 4.12Å
288	F	84.8	Confident	75.1	Confident	13 Å²	13	77.8 Å²	77.8	6%	0.057	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.2	-173.8	-55.6	-94.1	0	0	0	109.4	L272 W276 V278 I286 T296 Q297 T299 D300	L272-F288 HydrophobicContact CD2-CD1 4.25Å; L272-F288 HydrophobicContact CD2-CE1 4.3Å; W276-F288 HydrophobicContact CE3-CB 4.07Å; W276-F288 HydrophobicContact CZ3-CB 4.09Å; V278-F288 HydrophobicContact CG2-CD1 3.45Å; V278-F288 VanDerWaalsContact CG2-CD1 3.45Å; V278-F288 HydrophobicContact CG2-CE1 3.35Å; V278-F288 HydrophobicContact CG2-CZ 4.34Å; I286-F288 HydrophobicContact CG2-CE2 4.48Å; I286-F288 HydrophobicContact CG2-CZ 4.36Å; F288-T296 CarbonylContact O-C 3.55Å; F288-T296 VanDerWaalsContact O-CA 3.27Å; F288-T296 WeakPolarHBondContact O-CA 3.42Å; F288-Q297 HydrophobicContact CB-CG 4.24Å; F288-Q297 PolarHBondContact N-O 2.91Å; F288-Q297 PolarHBondContact O-N 2.8Å; F288-T299 WeakPolarHBondContact CD2-O 3.42Å; F288-D300 HydrophobicContact CE1-CB 3.9Å; F288-D300 VanDerWaalsContact CE1-CG 3.44Å; F288-D300 WeakPolarHBondContact CE1-OD2 3.14Å; F288-D300 HydrophobicContact CE2-CB 3.83Å; F288-D300 HydrophobicContact CZ-CB 3.45Å; F288-D300 VanDerWaalsContact CZ-CB 3.45Å; F288-D300 VanDerWaalsContact CZ-CG 3.48Å; F288-D300 WeakPolarHBondContact CZ-OD2 3.47Å
289	V	80.1	Confident	74.8	Confident	15 Å²	15	75.8 Å²	75.8	9%	0.091	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.6	178.5	-174.7	0	0	0	0	108.1	W276 E277 R279 Y287 T296	W276-V289 CarbonylContact C-O 3.47Å; W276-V289 WeakPolarHBondContact CA-O 3.47Å; E277-V289 HydrophobicContact CB-CB 4.38Å; E277-V289 PolarHBondContact N-O 2.88Å; E277-V289 PolarHBondContact O-N 2.78Å; R279-V289 HydrophobicContact CB-CG2 4.49Å; R279-V289 HydrophobicContact CG-CG2 4.11Å; Y287-V289 HydrophobicContact CD2-CG2 4.18Å; Y287-V289 HydrophobicContact CE2-CG2 3.69Å; V289-T296 HydrophobicContact CB-CG2 4.33Å; V289-T296 HydrophobicContact CG1-CG2 4.14Å; V289-T296 HydrophobicContact CG2-CG2 3.99Å
290	D	81.9	Confident	74.9	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.021	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	105.4	170.6	-175.1	-3	0	0	0	108.7	W276 N292 N293 R294 T295	W276-D290 HydrophobicContact CD2-CB 3.92Å; W276-D290 HydrophobicContact CE3-CB 3.92Å; W276-D290 HydrophobicContact CH2-CB 3.69Å; W276-D290 HydrophobicContact CZ2-CB 3.63Å; W276-D290 WeakPolarHBondContact CZ2-OD2 3.41Å; W276-D290 HydrophobicContact CZ3-CB 3.83Å; D290-N292 VanDerWaalsContact C-N 3.25Å; D290-N292 PolarHBondContact O-N 3.39Å; D290-N292 WeakPolarHBondContact OD1-CA 3.22Å; D290-N292 WeakPolarHBondContact OD1-CB 3.19Å; D290-N292 PolarHBondContact OD1-N 2.62Å; D290-N292 PolarHBondContact OD1-ND2 2.95Å; D290-N293 PolarHBondContact OD1-N 2.95Å; D290-N293 WeakPolarHBondContact OD2-CB 3.4Å; D290-N293 PolarHBondContact OD2-ND2 3.43Å; D290-R294 CarbonylContact O-C 3.53Å; D290-R294 WeakPolarHBondContact O-CA 3.46Å; D290-R294 PolarHBondContact O-N 3.47Å; D290-T295 PolarHBondContact N-O 3.43Å; D290-T295 PolarHBondContact O-N 2.83Å; D290-T295 VanDerWaalsContact O-N 3.12Å
291	H	73.3	Confident	74.8	Confident	93 Å²	93	68.1 Å²	68.1	43%	0.431	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.8	177.4	-66.6	-77.9	0	0	0	112.7	G275 E277	G275-H291 WeakPolarHBondContact O-CB 3.13Å; G275-H291 PolarHBondContact O-CD2 3Å; G275-H291 PolarHBondContact O-N 3.45Å; E277-H291 IonicContact OE2-CD2 3.93Å; E277-H291 IonicContact OE2-CE1 2.72Å; E277-H291 PolarHBondContact OE2-CE1 2.84Å; E277-H291 IonicContact OE2-NE2 3.6Å; E277-H291 PolarHBondContact OE2-NE2 3.42Å
292	N	76.7	Confident	75	Confident	99 Å²	99	66.9 Å²	66.9	53%	0.529	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-50	178.3	-48.3	-70.8	0	0	0	110.1	V274 D290	V274-N292 PolarHBondContact O-ND2 3.02Å; V274-N292 VanDerWaalsContact O-ND2 3.12Å; D290-N292 VanDerWaalsContact C-N 3.25Å; D290-N292 PolarHBondContact O-N 3.39Å; D290-N292 WeakPolarHBondContact OD1-CA 3.22Å; D290-N292 WeakPolarHBondContact OD1-CB 3.19Å; D290-N292 PolarHBondContact OD1-N 2.62Å; D290-N292 PolarHBondContact OD1-ND2 2.95Å
293	N	73.1	Confident	75.6	Confident	117 Å²	117	59.6 Å²	59.6	63%	0.626	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.3	178.8	-65.8	-53.7	0	0	0	113.8	D290 T295	D290-N293 PolarHBondContact OD1-N 2.95Å; D290-N293 WeakPolarHBondContact OD2-CB 3.4Å; D290-N293 PolarHBondContact OD2-ND2 3.43Å; N293-T295 VanDerWaalsContact C-N 3.27Å; N293-T295 HydrophobicContact CB-CG2 4.31Å; N293-T295 PolarHBondContact O-N 2.95Å
294	R	75.5	Confident	75.7	Confident	220 Å²	220	58.1 Å²	58.1	83%	0.83	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	39.3	-173.8	-57.1	-178.2	179.6	177	-0	113	D290	D290-R294 CarbonylContact O-C 3.53Å; D290-R294 WeakPolarHBondContact O-CA 3.46Å; D290-R294 PolarHBondContact O-N 3.47Å
295	T	77.4	Confident	75.7	Confident	22 Å²	22	59.8 Å²	59.8	14%	0.135	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	165.5	179.9	56.8	0	0	0	0	112	T234 G238 V240 D290 N293	T234-T295 HydrophobicContact CG2-CG2 4.1Å; G238-T295 CarbonylContact O-C 3.52Å; G238-T295 WeakPolarHBondContact O-CA 3.27Å; G238-T295 WeakPolarHBondContact O-CB 3.28Å; V240-T295 HydrophobicContact CG2-CG2 4.27Å; D290-T295 PolarHBondContact N-O 3.43Å; D290-T295 PolarHBondContact O-N 2.83Å; D290-T295 VanDerWaalsContact O-N 3.12Å; N293-T295 VanDerWaalsContact C-N 3.27Å; N293-T295 HydrophobicContact CB-CG2 4.31Å; N293-T295 PolarHBondContact O-N 2.95Å
296	T	81.8	Confident	75.3	Confident	32 Å²	32	54 Å²	54	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143.4	175.1	57.9	0	0	0	0	111	G238 Q239 V240 Y287 F288 V289	G238-T296 PolarHBondContact O-N 3.18Å; Q239-T296 WeakPolarHBondContact CA-O 3.37Å; V240-T296 PolarHBondContact N-O 2.87Å; Y287-T296 HydrophobicContact CD2-CG2 4.39Å; Y287-T296 HydrophobicContact CE2-CG2 4.12Å; F288-T296 CarbonylContact O-C 3.55Å; F288-T296 VanDerWaalsContact O-CA 3.27Å; F288-T296 WeakPolarHBondContact O-CA 3.42Å; V289-T296 HydrophobicContact CB-CG2 4.33Å; V289-T296 HydrophobicContact CG1-CG2 4.14Å; V289-T296 HydrophobicContact CG2-CG2 3.99Å
297	Q	79.5	Confident	74.3	Confident	32 Å²	32	52 Å²	52	15%	0.15	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.1	-177.6	62	-177.1	52.2	0	0	111.8	V240 W276 F288 T299	V240-Q297 HydrophobicContact CB-CB 4.25Å; W276-Q297 HydrophobicContact CH2-CG 4.33Å; W276-Q297 HydrophobicContact CZ3-CG 3.94Å; F288-Q297 HydrophobicContact CB-CG 4.24Å; F288-Q297 PolarHBondContact N-O 2.91Å; F288-Q297 PolarHBondContact O-N 2.8Å; Q297-T299 WeakPolarHBondContact CG-O 3.35Å; Q297-T299 PolarHBondContact NE2-O 2.82Å
298	F	78.9	Confident	73	Confident	66 Å²	66	52.4 Å²	52.4	29%	0.289	26%	0.26	S	S	.	.	S	Bend	trans	-93.2	-1.9	179.1	-69.5	-82.3	0	0	0	114	W252	W252-F298 HydrophobicContact CB-CD2 4.06Å; W252-F298 HydrophobicContact CE3-CD2 4.49Å; W252-F298 HydrophobicContact CG-CD2 4.49Å
299	T	77.8	Confident	71.3	Confident	10 Å²	10	57.8 Å²	57.8	6%	0.061	29%	0.285	C	S	.	.	S	Bend	trans	-107	136.9	-179.7	-48.5	0	0	0	0	109.5	H253 D254 I257 F288 Q297	H253-T299 WeakPolarHBondContact CA-OG1 3.45Å; D254-T299 HydrophobicContact CB-CG2 4.19Å; D254-T299 PolarHBondContact N-OG1 2.89Å; I257-T299 HydrophobicContact CD1-CG2 3.42Å; I257-T299 VanDerWaalsContact CD1-CG2 3.42Å; F288-T299 WeakPolarHBondContact CD2-O 3.42Å; Q297-T299 WeakPolarHBondContact CG-O 3.35Å; Q297-T299 PolarHBondContact NE2-O 2.82Å
300	D	79.3	Confident	69.5	Low	13 Å²	13	63.8 Å²	63.8	7%	0.07	31%	0.312	C	S	.	.			trans	-70.9	126.3	-175.9	-165.8	-51.7	0	0	0	111.5	F288 R302 L303	F288-D300 HydrophobicContact CE1-CB 3.9Å; F288-D300 VanDerWaalsContact CE1-CG 3.44Å; F288-D300 WeakPolarHBondContact CE1-OD2 3.14Å; F288-D300 HydrophobicContact CE2-CB 3.83Å; F288-D300 HydrophobicContact CZ-CB 3.45Å; F288-D300 VanDerWaalsContact CZ-CB 3.45Å; F288-D300 VanDerWaalsContact CZ-CG 3.48Å; F288-D300 WeakPolarHBondContact CZ-OD2 3.47Å; D300-R302 PolarHBondContact O-N 3.47Å; D300-R302 VanDerWaalsContact OD1-CB 3.24Å; D300-R302 WeakPolarHBondContact OD1-CB 3.33Å; D300-R302 WeakPolarHBondContact OD1-CG 3.41Å; D300-R302 IonicContact OD1-CZ 3.43Å; D300-R302 PolarHBondContact OD1-N 2.9Å; D300-R302 IonicContact OD1-NE 3.37Å; D300-R302 PolarHBondContact OD1-NE 2.9Å; D300-R302 IonicContact OD1-NH2 2.75Å; D300-R302 IonicContact OD2-CZ 3.17Å; D300-R302 IonicContact OD2-NE 3.95Å; D300-R302 PolarHBondContact OD2-NE 3.27Å; D300-R302 IonicContact OD2-NH2 2.73Å; D300-R302 PolarHBondContact OD2-NH2 2.84Å; D300-L303 HydrophobicContact CB-CD1 3.87Å; D300-L303 HydrophobicContact CB-CG 4.03Å; D300-L303 PolarHBondContact O-N 2.86Å
301	P	74.3	Confident	67.4	Low	16 Å²	16	67.8 Å²	67.8	10%	0.104	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.4	-179.5	29.7	-39.4	0	0	0	113.7	L272 W276 L303	L272-P301 HydrophobicContact CD2-CG 4.42Å; W276-P301 HydrophobicContact CD2-CB 4.04Å; W276-P301 HydrophobicContact CD2-CG 3.76Å; W276-P301 HydrophobicContact CE3-CB 4Å; W276-P301 HydrophobicContact CE3-CG 3.57Å; W276-P301 HydrophobicContact CG-CG 4.27Å; W276-P301 HydrophobicContact CH2-CB 3.91Å; W276-P301 HydrophobicContact CH2-CG 4.39Å; W276-P301 HydrophobicContact CZ2-CB 3.99Å; W276-P301 HydrophobicContact CZ3-CB 3.92Å; W276-P301 HydrophobicContact CZ3-CG 3.9Å; P301-L303 VanDerWaalsContact C-N 3.34Å
302	R	78.6	Confident	65.8	Low	14 Å²	14	70.1 Å²	70.1	5%	0.053	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-23.1	-179.3	-61.7	170.2	-69.9	173.6	4.6	112.6	C266 L269 G270 L272 D300 H304 N305	C266-R302 PolarHBondContact O-NH1 2.96Å; C266-R302 PolarHBondContact O-NH2 3.24Å; C266-R302 PolarHBondContact SG-NH2 3.32Å; L269-R302 HydrophobicContact CB-CB 4.27Å; L269-R302 HydrophobicContact CD1-CB 4.5Å; L269-R302 WeakPolarHBondContact O-CD 3.27Å; G270-R302 PolarHBondContact O-NH1 3.09Å; L272-R302 HydrophobicContact CD2-CG 4.47Å; D300-R302 PolarHBondContact O-N 3.47Å; D300-R302 VanDerWaalsContact OD1-CB 3.24Å; D300-R302 WeakPolarHBondContact OD1-CB 3.33Å; D300-R302 WeakPolarHBondContact OD1-CG 3.41Å; D300-R302 IonicContact OD1-CZ 3.43Å; D300-R302 PolarHBondContact OD1-N 2.9Å; D300-R302 IonicContact OD1-NE 3.37Å; D300-R302 PolarHBondContact OD1-NE 2.9Å; D300-R302 IonicContact OD1-NH2 2.75Å; D300-R302 IonicContact OD2-CZ 3.17Å; D300-R302 IonicContact OD2-NE 3.95Å; D300-R302 PolarHBondContact OD2-NE 3.27Å; D300-R302 IonicContact OD2-NH2 2.73Å; D300-R302 PolarHBondContact OD2-NH2 2.84Å; R302-H304 VanDerWaalsContact C-N 3.27Å; R302-H304 PolarHBondContact O-N 3.04Å; R302-N305 WeakPolarHBondContact O-CB 3.17Å; R302-N305 PolarHBondContact O-N 3.2Å; R302-N305 VanDerWaalsContact O-N 3.14Å
303	L	71.8	Confident	63.8	Low	13 Å²	13	71.1 Å²	71.1	7%	0.068	36%	0.361	C	S	.	.	H	α-helix	trans	-65.7	-29.6	-179	-69	170.2	0	0	0	112.4	I257 L269 D300 P301 N305 I306 I307	I257-L303 HydrophobicContact CD1-CB 3.64Å; I257-L303 HydrophobicContact CD1-CD1 4.29Å; I257-L303 HydrophobicContact CG1-CB 4.25Å; I257-L303 HydrophobicContact CG2-CD1 4.17Å; L269-L303 HydrophobicContact CD1-CD2 3.95Å; L269-L303 HydrophobicContact CD1-CG 4.28Å; L269-L303 HydrophobicContact CD2-CD2 4.32Å; D300-L303 HydrophobicContact CB-CD1 3.87Å; D300-L303 HydrophobicContact CB-CG 4.03Å; D300-L303 PolarHBondContact O-N 2.86Å; P301-L303 VanDerWaalsContact C-N 3.34Å; L303-N305 VanDerWaalsContact C-N 3.3Å; L303-N305 PolarHBondContact O-N 2.79Å; L303-I306 HydrophobicContact CD2-CD1 4.46Å; L303-I306 PolarHBondContact O-N 3.22Å; L303-I307 PolarHBondContact O-N 2.82Å
304	H	62.5	Low	61.8	Low	57 Å²	57	75 Å²	75	26%	0.264	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-37.3	172.4	-76.8	75.9	0	0	0	112.9	D254 R256 R302 I306 I307 S308	D254-H304 IonicContact OD2-CE1 3.29Å; D254-H304 PolarHBondContact OD2-CE1 2.82Å; D254-H304 IonicContact OD2-NE2 2.82Å; D254-H304 PolarHBondContact OD2-NE2 3.04Å; D254-H304 VanDerWaalsContact OD2-NE2 3.1Å; R256-H304 PolarHBondContact NH2-NE2 3.48Å; R302-H304 VanDerWaalsContact C-N 3.27Å; R302-H304 PolarHBondContact O-N 3.04Å; H304-I306 VanDerWaalsContact C-N 3.32Å; H304-I306 PolarHBondContact O-N 3.17Å; H304-I307 PolarHBondContact O-N 3.16Å; H304-S308 PolarHBondContact O-N 3.41Å; H304-S308 VanDerWaalsContact O-N 3.14Å; H304-S308 PolarHBondContact O-OG 3.21Å
305	N	59.6	Low	59.7	Low	91 Å²	91	72.8 Å²	72.8	49%	0.487	37%	0.371	S	S	.	.	H	α-helix	trans	-69	-30	-178.5	-67.9	-13.9	0	0	0	112.6	R302 L303 S308 H309	R302-N305 WeakPolarHBondContact O-CB 3.17Å; R302-N305 PolarHBondContact O-N 3.2Å; R302-N305 VanDerWaalsContact O-N 3.14Å; L303-N305 VanDerWaalsContact C-N 3.3Å; L303-N305 PolarHBondContact O-N 2.79Å; N305-S308 WeakPolarHBondContact CA-OG 3.44Å; N305-S308 PolarHBondContact O-OG 3.36Å; N305-H309 PolarHBondContact O-CD2 3.26Å; N305-H309 PolarHBondContact O-N 3.01Å
306	I	59.2	Low	57.3	Low	64 Å²	64	78.2 Å²	78.2	33%	0.328	40%	0.404	S	S	.	.	H	α-helix	trans	-69.9	-41.6	177.4	-67.2	172	0	0	0	110.5	L269 L303 H304 H309 Q310	L269-I306 HydrophobicContact CD2-CD1 3.35Å; L303-I306 HydrophobicContact CD2-CD1 4.46Å; L303-I306 PolarHBondContact O-N 3.22Å; H304-I306 VanDerWaalsContact C-N 3.32Å; H304-I306 PolarHBondContact O-N 3.17Å; I306-H309 PolarHBondContact O-N 2.96Å; I306-Q310 PolarHBondContact O-N 2.99Å
307	I	56.1	Low	54.8	Low	49 Å²	49	82.3 Å²	82.3	25%	0.251	43%	0.434	S	S	.	.	H	α-helix	trans	-69.8	-38.4	-178.6	-61.8	172.8	0	0	0	110.9	I257 L303 H304 Q310 S311	I257-I307 HydrophobicContact CG1-CD1 3.76Å; L303-I307 PolarHBondContact O-N 2.82Å; H304-I307 PolarHBondContact O-N 3.16Å; I307-Q310 PolarHBondContact O-N 2.96Å; I307-S311 PolarHBondContact O-N 3.26Å; I307-S311 PolarHBondContact O-OG 3.14Å
308	S	51.8	Low	52.3	Low	60 Å²	60	90.2 Å²	90.2	42%	0.42	47%	0.472	S	S	.	.	H	α-helix	trans	-65.6	-39	174.1	54.3	0	0	0	0	112.3	H304 N305 S311 Q312	H304-S308 PolarHBondContact O-N 3.41Å; H304-S308 VanDerWaalsContact O-N 3.14Å; H304-S308 PolarHBondContact O-OG 3.21Å; N305-S308 WeakPolarHBondContact CA-OG 3.44Å; N305-S308 PolarHBondContact O-OG 3.36Å; S308-S311 PolarHBondContact O-N 3.3Å; S308-Q312 PolarHBondContact O-N 3.47Å
309	H	47.7	Very low	49.8	Very low	126 Å²	126	91.5 Å²	91.5	58%	0.583	49%	0.494	S	S	*	.	H	α-helix	trans	-66.9	-41.1	174.4	-84.3	-61.1	0	0	0	113.3	N305 I306 S311 Q312 V313	N305-H309 PolarHBondContact O-CD2 3.26Å; N305-H309 PolarHBondContact O-N 3.01Å; I306-H309 PolarHBondContact O-N 2.96Å; H309-S311 PolarHBondContact O-N 3.04Å; H309-Q312 PolarHBondContact O-N 3.43Å; H309-V313 WeakPolarHBondContact O-CG2 3.15Å
310	Q	43.3	Very low	47.7	Very low	142 Å²	142	96.6 Å²	96.6	66%	0.664	53%	0.527	S	S	*	.	H	α-helix	trans	-63.2	-25.4	174.5	-75.2	-172.3	-5.1	0	0	113.2	I306 I307	I306-Q310 PolarHBondContact O-N 2.99Å; I307-Q310 PolarHBondContact O-N 2.96Å
311	S	38.5	Very low	45.6	Very low	87 Å²	87	100.9 Å²	100.9	61%	0.608	56%	0.556	S	S	*	*	H	α-helix	trans	-76.2	-24.4	179.2	-56.6	0	0	0	0	113.4	I307 S308 H309	I307-S311 PolarHBondContact O-N 3.26Å; I307-S311 PolarHBondContact O-OG 3.14Å; S308-S311 PolarHBondContact O-N 3.3Å; H309-S311 PolarHBondContact O-N 3.04Å
312	Q	38.3	Very low	43.5	Very low	142 Å²	142	108.9 Å²	108.9	66%	0.664	59%	0.594	S	S	*	*	H	α-helix	trans	-89.6	-19.5	-178.9	-73.7	-176.4	-24.6	0	0	114.5	S308 H309 K314 E315	S308-Q312 PolarHBondContact O-N 3.47Å; H309-Q312 PolarHBondContact O-N 3.43Å; Q312-K314 PolarHBondContact O-N 2.86Å; Q312-K314 VanDerWaalsContact O-N 3.09Å; Q312-E315 PolarHBondContact O-N 3.36Å
313	V	35.7	Very low	41	Very low	120 Å²	120	115.9 Å²	115.9	73%	0.727	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-3.8	-176.4	176.7	0	0	0	0	113.4	H309	H309-V313 WeakPolarHBondContact O-CG2 3.15Å
314	K	30.1	Very low	39.1	Very low	198 Å²	198	121.6 Å²	121.6	86%	0.861	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-10.6	175.5	-116.3	179.5	-178.8	179.1	0	115	Q312	Q312-K314 PolarHBondContact O-N 2.86Å; Q312-K314 VanDerWaalsContact O-N 3.09Å
315	E	32.1	Very low	37.4	Very low	175 Å²	175	122.4 Å²	122.4	82%	0.818	69%	0.692	S	S	*	*	S	Bend	trans	-128.9	71.9	-179.3	-70.4	-170.9	144.4	0	0	111.9	Q312	Q312-E315 PolarHBondContact O-N 3.36Å
316	T	26.9	Very low	35.9	Very low	135 Å²	135	124.4 Å²	124.4	83%	0.828	71%	0.707	S	S	*	*			trans	178	90.5	146.2	21.2	0	0	0	0	109.9
317	S	29.9	Very low	34.5	Very low	118 Å²	118	128.1 Å²	128.1	83%	0.825	73%	0.727	S	S	*	*			trans	-128.9	77.3	169.6	-73.7	0	0	0	0	109.9
318	Q	27	Very low	33.1	Very low	199 Å²	199	134.4 Å²	134.4	93%	0.93	76%	0.756	S	S	*	*			trans	-158.7	111.3	164	-109.2	164.8	33.4	0	0	110.2
319	A	24.6	Very low	31.9	Very low	93 Å²	93	135.5 Å²	135.5	77%	0.769	78%	0.776	S	S	*	*			trans	-101.7	178.6	156	0	0	0	0	0	107.3
320	P	35.2	Very low	30.8	Very low	116 Å²	116	133.5 Å²	133.5	75%	0.753	79%	0.79	S	S	*	*			cis	-136	-141.7	8	44.9	-23.8	0	0	0	110.2
321	P	35.3	Very low	29.9	Very low	103 Å²	103	130.9 Å²	130.9	67%	0.669	80%	0.801	S	S	*	*			cis	-131.7	170.9	-21.1	35.9	-16.7	0	0	0	116.6
322	M	30.3	Very low	29.4	Very low	184 Å²	184	130.9 Å²	130.9	91%	0.906	82%	0.815	S	S	*	*			trans	9.5	138.6	148.3	-51.9	179.8	-124	0	0	121.9
323	D	25.6	Very low	28.9	Very low	161 Å²	161	127.9 Å²	127.9	86%	0.861	82%	0.822	S	S	*	*			trans	-152.8	167.6	130.1	-154.6	5.2	0	0	0	112.8
324	V	31.4	Very low	28.7	Very low	133 Å²	133	130.7 Å²	130.7	81%	0.806	83%	0.831	S	S	*	*			trans	-101.3	148.4	-172.2	-173.9	0	0	0	0	111
325	G	27.3	Very low	28.7	Very low	75 Å²	75	124.9 Å²	124.9	77%	0.773	83%	0.828	S	S	*	*			trans	-165.7	133.4	171.9	0	0	0	0	0	113.6
326	V	28.4	Very low	28.9	Very low	133 Å²	133	120.3 Å²	120.3	81%	0.806	83%	0.827	S	S	*	*			trans	-116.5	146.7	179	-176.6	0	0	0	0	109.1
327	D	28.7	Very low	29.3	Very low	141 Å²	141	117.8 Å²	117.8	75%	0.754	83%	0.828	S	S	*	*			trans	116.8	147	140.8	-126.1	-7.3	0	0	0	121.6
328	E	27.3	Very low	29.6	Very low	182 Å²	182	114.9 Å²	114.9	85%	0.85	82%	0.816	S	S	*	*			trans	44.4	133.4	161.4	-75	-169.3	137	0	0	123.2
329	G	25.8	Very low	30.1	Very low	82 Å²	82	108.1 Å²	108.1	85%	0.845	80%	0.801	S	S	*	*			trans	135.4	76.1	130.6	0	0	0	0	0	119.8
330	G	25.3	Very low	30.7	Very low	84 Å²	84	110.6 Å²	110.6	87%	0.866	80%	0.801	S	S	*	*			trans	87.6	110.6	133.5	0	0	0	0	0	121.2
331	G	25.3	Very low	30.6	Very low	87 Å²	87	107.4 Å²	107.4	90%	0.897	79%	0.789	S	S	*	*				104.2	112.7	122.3	0	0	0	0	0	119.9
332	G	26.4	Very low	30.8	Very low	88 Å²	88	106 Å²	106	91%	0.907	78%	0.776	S	S	*	*			trans	125.1	114.8	141.8	0	0	0	0	0	117.4
333	G	27.9	Very low	31.3	Very low	78 Å²	78	101.8 Å²	101.8	80%	0.804	76%	0.76	S	S	*	*			trans	106.8	61.1	153.6	0	0	0	0	0	118	G335	G333-G335 VanDerWaalsContact C-N 3.3Å; G333-G335 PolarHBondContact O-N 3.14Å
334	I	31.1	Very low	31.8	Very low	179 Å²	179	96.9 Å²	96.9	92%	0.918	74%	0.742	S	S	*	*			trans	-72.1	89.1	161.8	-59.7	177.5	0	0	0	108.9
335	G	30.3	Very low	32.2	Very low	77 Å²	77	93.2 Å²	93.2	79%	0.794	72%	0.72	S	S	*	*			trans	-96.8	66	163.8	0	0	0	0	0	110.7	G333 G337	G333-G335 VanDerWaalsContact C-N 3.3Å; G333-G335 PolarHBondContact O-N 3.14Å; G335-G337 PolarHBondContact O-N 2.73Å
336	G	36.4	Very low	32.9	Very low	78 Å²	78	97 Å²	97	80%	0.804	71%	0.711	S	S	*	*			trans	-75.8	116.3	-178.8	0	0	0	0	0	112.2
337	G	35.9	Very low	33.7	Very low	83 Å²	83	95 Å²	95	86%	0.856	69%	0.689	S	S	*	*			trans	158.3	55.7	174.9	0	0	0	0	0	115.9	G335	G335-G337 PolarHBondContact O-N 2.73Å
338	G	36.8	Very low	34.5	Very low	56 Å²	56	92.4 Å²	92.4	58%	0.577	67%	0.673	S	S	*	*			trans	-157.7	-2.7	180	0	0	0	0	0	118.2
339	G	35.8	Very low	35.5	Very low	58 Å²	58	92.2 Å²	92.2	60%	0.598	66%	0.664	S	S	*	*	H	α-helix	trans	-67.5	-43.8	-169.9	0	0	0	0	0	115.1	V343	G339-V343 VanDerWaalsContact O-CG2 3.26Å; G339-V343 WeakPolarHBondContact O-CG2 3.21Å; G339-V343 PolarHBondContact O-N 2.98Å
340	D	37.3	Very low	37.3	Very low	144 Å²	144	91.7 Å²	91.7	77%	0.77	64%	0.642	S	S	*	*	H	α-helix	trans	-79	-39.6	-166.9	-148.3	25.6	0	0	0	112.7	A344	D340-A344 WeakPolarHBondContact O-CB 3.36Å; D340-A344 PolarHBondContact O-N 3.14Å
341	G	34.6	Very low	39.1	Very low	49 Å²	49	87.8 Å²	87.8	51%	0.505	60%	0.601	S	S	.	*	H	α-helix	trans	-68.3	-41.7	179.7	0	0	0	0	0	113.9	A344 V345	G341-A344 PolarHBondContact O-N 3.32Å; G341-V345 WeakPolarHBondContact O-CB 3.22Å; G341-V345 VanDerWaalsContact O-CG2 3.27Å; G341-V345 WeakPolarHBondContact O-CG2 3.44Å; G341-V345 PolarHBondContact O-N 2.72Å
342	D	38.4	Very low	41	Very low	75 Å²	75	84.7 Å²	84.7	40%	0.401	57%	0.565	S	S	.	*	H	α-helix	trans	-72.3	-34.4	-179.5	-167.9	15.4	0	0	0	111.4	R346	D342-R346 VanDerWaalsContact CG-NE 3.31Å; D342-R346 WeakPolarHBondContact O-CB 3.35Å; D342-R346 WeakPolarHBondContact O-CD 3.32Å; D342-R346 WeakPolarHBondContact O-CG 3.5Å; D342-R346 PolarHBondContact O-N 2.85Å; D342-R346 IonicContact OD1-CZ 3.18Å; D342-R346 IonicContact OD1-NE 2.72Å; D342-R346 PolarHBondContact OD1-NE 2.59Å; D342-R346 IonicContact OD1-NH2 2.7Å; D342-R346 IonicContact OD2-CZ 2.85Å; D342-R346 VanDerWaalsContact OD2-CZ 3.31Å; D342-R346 IonicContact OD2-NE 3.22Å; D342-R346 PolarHBondContact OD2-NE 2.84Å; D342-R346 IonicContact OD2-NH2 3.55Å; D342-R346 PolarHBondContact OD2-NH2 3.39Å
343	V	40.7	Very low	43.1	Very low	95 Å²	95	85.7 Å²	85.7	58%	0.576	55%	0.546	S	S	*	.	H	α-helix	trans	-66	-45.1	172.2	173.7	0	0	0	0	111.3	G339 V345 R346 Y347	G339-V343 VanDerWaalsContact O-CG2 3.26Å; G339-V343 WeakPolarHBondContact O-CG2 3.21Å; G339-V343 PolarHBondContact O-N 2.98Å; V343-V345 PolarHBondContact O-N 2.81Å; V343-R346 PolarHBondContact O-N 2.87Å; V343-Y347 WeakPolarHBondContact O-CB 3.34Å; V343-Y347 PolarHBondContact O-N 3.41Å
344	A	36	Very low	45.3	Very low	57 Å²	57	83.6 Å²	83.6	47%	0.471	51%	0.514	S	S	.	.	H	α-helix	trans	-61.2	-43.6	176.5	0	0	0	0	0	112.5	D340 G341 Y347 E348	D340-A344 WeakPolarHBondContact O-CB 3.36Å; D340-A344 PolarHBondContact O-N 3.14Å; G341-A344 PolarHBondContact O-N 3.32Å; A344-Y347 PolarHBondContact O-N 2.73Å; A344-E348 WeakPolarHBondContact O-CB 3.44Å; A344-E348 PolarHBondContact O-N 3.09Å
345	V	40.5	Very low	47.4	Very low	56 Å²	56	75.6 Å²	75.6	34%	0.339	47%	0.473	S	S	.	.	H	α-helix	trans	-67.6	-35.4	177.8	169.8	0	0	0	0	112.1	G341 V343 R349	G341-V345 WeakPolarHBondContact O-CB 3.22Å; G341-V345 VanDerWaalsContact O-CG2 3.27Å; G341-V345 WeakPolarHBondContact O-CG2 3.44Å; G341-V345 PolarHBondContact O-N 2.72Å; V343-V345 PolarHBondContact O-N 2.81Å; V345-R349 WeakPolarHBondContact O-CB 3.4Å; V345-R349 WeakPolarHBondContact O-CD 3.2Å; V345-R349 WeakPolarHBondContact O-CG 3.47Å; V345-R349 PolarHBondContact O-N 3.45Å; V345-R349 VanDerWaalsContact O-N 3.11Å
346	R	41.7	Very low	49.5	Very low	154 Å²	154	78.3 Å²	78.3	58%	0.581	46%	0.463	S	S	*	.	H	α-helix	trans	-66.9	-43.8	172.6	-71.2	165.8	-168.1	-149.6	7.7	111.6	D342 V343 R349 D350	D342-R346 VanDerWaalsContact CG-NE 3.31Å; D342-R346 WeakPolarHBondContact O-CB 3.35Å; D342-R346 WeakPolarHBondContact O-CD 3.32Å; D342-R346 WeakPolarHBondContact O-CG 3.5Å; D342-R346 PolarHBondContact O-N 2.85Å; D342-R346 IonicContact OD1-CZ 3.18Å; D342-R346 IonicContact OD1-NE 2.72Å; D342-R346 PolarHBondContact OD1-NE 2.59Å; D342-R346 IonicContact OD1-NH2 2.7Å; D342-R346 IonicContact OD2-CZ 2.85Å; D342-R346 VanDerWaalsContact OD2-CZ 3.31Å; D342-R346 IonicContact OD2-NE 3.22Å; D342-R346 PolarHBondContact OD2-NE 2.84Å; D342-R346 IonicContact OD2-NH2 3.55Å; D342-R346 PolarHBondContact OD2-NH2 3.39Å; V343-R346 PolarHBondContact O-N 2.87Å; R346-R349 PolarHBondContact O-N 2.87Å; R346-D350 WeakPolarHBondContact O-CB 3.36Å; R346-D350 PolarHBondContact O-N 2.84Å
347	Y	44.4	Very low	51.7	Low	92 Å²	92	79.3 Å²	79.3	36%	0.361	45%	0.45	S	S	.	.	H	α-helix	trans	-62.7	-43.9	176.9	-180	-95.6	0	0	0	112.2	V343 A344 R349 D350 L351 D597 E600	V343-Y347 WeakPolarHBondContact O-CB 3.34Å; V343-Y347 PolarHBondContact O-N 3.41Å; A344-Y347 PolarHBondContact O-N 2.73Å; Y347-R349 PolarHBondContact O-N 3.31Å; Y347-D350 PolarHBondContact O-N 2.84Å; Y347-L351 PolarHBondContact O-N 3.12Å; Y347-D597 PolarHBondContact OH-OD2 2.92Å; Y347-E600 WeakPolarHBondContact OH-CG 3.14Å
348	E	46.5	Very low	54	Low	87 Å²	87	75.8 Å²	75.8	41%	0.407	41%	0.411	S	S	.	.	H	α-helix	trans	-60.2	-46.3	174.3	-167.8	-160.5	145.5	0	0	111.1	A344 D350 L351 V352	A344-E348 WeakPolarHBondContact O-CB 3.44Å; A344-E348 PolarHBondContact O-N 3.09Å; E348-D350 VanDerWaalsContact C-N 3.33Å; E348-D350 PolarHBondContact O-N 3.4Å; E348-L351 PolarHBondContact O-N 3.28Å; E348-V352 HydrophobicContact CG-CG2 4.45Å; E348-V352 WeakPolarHBondContact O-CB 3.43Å; E348-V352 WeakPolarHBondContact O-CG2 3.5Å; E348-V352 PolarHBondContact O-N 3.3Å
349	R	47.3	Very low	56.3	Low	178 Å²	178	75.9 Å²	75.9	67%	0.672	39%	0.394	S	S	*	.	H	α-helix	trans	-61.3	-39.8	178	-73.7	169.8	-176.7	-173.7	3.9	112.6	V345 R346 Y347 H353	V345-R349 WeakPolarHBondContact O-CB 3.4Å; V345-R349 WeakPolarHBondContact O-CD 3.2Å; V345-R349 WeakPolarHBondContact O-CG 3.47Å; V345-R349 PolarHBondContact O-N 3.45Å; V345-R349 VanDerWaalsContact O-N 3.11Å; R346-R349 PolarHBondContact O-N 2.87Å; Y347-R349 PolarHBondContact O-N 3.31Å; R349-H353 WeakPolarHBondContact O-CB 3.49Å; R349-H353 PolarHBondContact O-N 3.46Å
350	D	64.8	Low	58.6	Low	70 Å²	70	78 Å²	78	37%	0.374	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-52.8	176.2	-179.4	39.3	0	0	0	111.5	R346 Y347 E348 V352 H353 K354	R346-D350 WeakPolarHBondContact O-CB 3.36Å; R346-D350 PolarHBondContact O-N 2.84Å; Y347-D350 PolarHBondContact O-N 2.84Å; E348-D350 VanDerWaalsContact C-N 3.33Å; E348-D350 PolarHBondContact O-N 3.4Å; D350-V352 VanDerWaalsContact C-N 3.3Å; D350-V352 PolarHBondContact O-N 2.83Å; D350-H353 WeakPolarHBondContact O-CA 3.42Å; D350-H353 WeakPolarHBondContact O-CB 3.44Å; D350-H353 PolarHBondContact O-N 3.33Å; D350-K354 VanDerWaalsContact CG-CE 3.43Å; D350-K354 WeakPolarHBondContact O-CG 3.23Å; D350-K354 PolarHBondContact O-N 2.96Å; D350-K354 WeakPolarHBondContact OD1-CE 3.41Å; D350-K354 WeakPolarHBondContact OD2-CE 3.37Å; D350-K354 IonicContact OD2-NZ 3.59Å; D350-K354 PolarHBondContact OD2-NZ 3.49Å
351	L	62.8	Low	61	Low	3 Å²	3	74.3 Å²	74.3	2%	0.016	37%	0.366	C	S	.	.	H	α-helix	trans	-58.3	-40.5	176.2	176.6	54.7	0	0	0	112.4	Y347 E348 H353 K354 L355 F596 E600 L603 L662	Y347-L351 PolarHBondContact O-N 3.12Å; E348-L351 PolarHBondContact O-N 3.28Å; L351-H353 VanDerWaalsContact C-N 3.29Å; L351-H353 PolarHBondContact O-N 3.39Å; L351-K354 PolarHBondContact O-N 3.14Å; L351-L355 WeakPolarHBondContact O-CB 3.41Å; L351-L355 PolarHBondContact O-N 2.89Å; L351-F596 HydrophobicContact CD1-CD1 3.93Å; L351-F596 HydrophobicContact CD1-CE1 3.94Å; L351-E600 HydrophobicContact CD1-CB 3.67Å; L351-E600 HydrophobicContact CD1-CG 3.71Å; L351-E600 HydrophobicContact CD2-CB 4.36Å; L351-E600 HydrophobicContact CD2-CG 4.02Å; L351-E600 HydrophobicContact CG-CG 4.3Å; L351-L603 HydrophobicContact CD2-CD1 4.06Å; L351-L662 HydrophobicContact CB-CD2 4.27Å; L351-L662 HydrophobicContact CD2-CD1 4.09Å; L351-L662 HydrophobicContact CD2-CD2 3.39Å; L351-L662 HydrophobicContact CD2-CG 4.39Å; L351-L662 HydrophobicContact CG-CD2 3.43Å; L351-L662 VanDerWaalsContact CG-CD2 3.43Å
352	V	65.1	Low	63.5	Low	22 Å²	22	72.2 Å²	72.2	13%	0.133	34%	0.344	C	S	.	.	H	α-helix	trans	-64.7	-33	175.7	168.6	0	0	0	0	112	E348 D350 K356 L662 Q663	E348-V352 HydrophobicContact CG-CG2 4.45Å; E348-V352 WeakPolarHBondContact O-CB 3.43Å; E348-V352 WeakPolarHBondContact O-CG2 3.5Å; E348-V352 PolarHBondContact O-N 3.3Å; D350-V352 VanDerWaalsContact C-N 3.3Å; D350-V352 PolarHBondContact O-N 2.83Å; V352-K356 WeakPolarHBondContact O-CG 3.47Å; V352-K356 PolarHBondContact O-N 3.45Å; V352-L662 HydrophobicContact CG2-CD2 3.88Å; V352-L662 HydrophobicContact CG2-CG 4.4Å; V352-Q663 HydrophobicContact CB-CG 4.35Å; V352-Q663 HydrophobicContact CG1-CG 3.75Å; V352-Q663 HydrophobicContact CG2-CG 3.66Å
353	H	70.7	Confident	65.7	Low	108 Å²	108	71.4 Å²	71.4	50%	0.5	34%	0.344	S	S	.	.	H	α-helix	trans	-71	-50.1	172.9	-177.5	75.7	0	0	0	111.4	R349 D350 L351 L355 K356 L357	R349-H353 WeakPolarHBondContact O-CB 3.49Å; R349-H353 PolarHBondContact O-N 3.46Å; D350-H353 WeakPolarHBondContact O-CA 3.42Å; D350-H353 WeakPolarHBondContact O-CB 3.44Å; D350-H353 PolarHBondContact O-N 3.33Å; L351-H353 VanDerWaalsContact C-N 3.29Å; L351-H353 PolarHBondContact O-N 3.39Å; H353-L355 VanDerWaalsContact C-N 3.27Å; H353-L355 PolarHBondContact O-N 2.96Å; H353-K356 WeakPolarHBondContact O-CB 3.45Å; H353-K356 PolarHBondContact O-N 3.01Å; H353-L357 PolarHBondContact O-N 3.38Å; H353-L357 VanDerWaalsContact O-N 3.09Å
354	K	73.8	Confident	67.8	Low	34 Å²	34	72.2 Å²	72.2	15%	0.148	34%	0.344	C	S	.	.	H	α-helix	trans	-53.1	-43.9	174.4	-63.9	172.2	-168.4	156.8	0	112	D350 L351 K356 L357 L358 F596 E600	D350-K354 VanDerWaalsContact CG-CE 3.43Å; D350-K354 WeakPolarHBondContact O-CG 3.23Å; D350-K354 PolarHBondContact O-N 2.96Å; D350-K354 WeakPolarHBondContact OD1-CE 3.41Å; D350-K354 WeakPolarHBondContact OD2-CE 3.37Å; D350-K354 IonicContact OD2-NZ 3.59Å; D350-K354 PolarHBondContact OD2-NZ 3.49Å; L351-K354 PolarHBondContact O-N 3.14Å; K354-K356 VanDerWaalsContact C-N 3.34Å; K354-K356 PolarHBondContact O-N 3.37Å; K354-L357 PolarHBondContact O-N 2.81Å; K354-L358 WeakPolarHBondContact O-CB 3.49Å; K354-L358 PolarHBondContact O-N 3.36Å; K354-F596 HydrophobicContact CB-CD1 4.2Å; K354-F596 HydrophobicContact CB-CE1 3.4Å; K354-F596 VanDerWaalsContact CB-CE1 3.4Å; K354-F596 HydrophobicContact CB-CZ 3.65Å; K354-F596 HydrophobicContact CD-CD1 4.16Å; K354-F596 HydrophobicContact CD-CE1 4.2Å; K354-F596 HydrophobicContact CG-CE1 4.42Å; K354-E600 IonicContact NZ-OE1 3.38Å; K354-E600 PolarHBondContact NZ-OE1 3.3Å; K354-E600 IonicContact NZ-OE2 2.95Å; K354-E600 PolarHBondContact NZ-OE2 3.38Å
355	L	74.4	Confident	70.1	Confident	11 Å²	11	72.1 Å²	72.1	6%	0.058	33%	0.334	C	S	.	.	H	α-helix	trans	-67.1	-32.5	179.5	-173.1	58.4	0	0	0	112.9	L351 H353 L358 R359 I604	L351-L355 WeakPolarHBondContact O-CB 3.41Å; L351-L355 PolarHBondContact O-N 2.89Å; H353-L355 VanDerWaalsContact C-N 3.27Å; H353-L355 PolarHBondContact O-N 2.96Å; L355-L358 HydrophobicContact CD1-CD2 4.22Å; L355-R359 WeakPolarHBondContact O-CB 3.3Å; L355-R359 VanDerWaalsContact O-CG 3.32Å; L355-R359 WeakPolarHBondContact O-CG 3.38Å; L355-R359 PolarHBondContact O-N 2.81Å; L355-I604 HydrophobicContact CD1-CD1 4.32Å; L355-I604 HydrophobicContact CD1-CG1 4.05Å
356	K	75.4	Confident	72.2	Confident	135 Å²	135	72.4 Å²	72.4	59%	0.587	33%	0.332	S	S	*	.	H	α-helix	trans	-66.2	-44.3	172.5	-75.6	172.4	179.5	-178.6	0	111.3	V352 H353 K354 R359 H360	V352-K356 WeakPolarHBondContact O-CG 3.47Å; V352-K356 PolarHBondContact O-N 3.45Å; H353-K356 WeakPolarHBondContact O-CB 3.45Å; H353-K356 PolarHBondContact O-N 3.01Å; K354-K356 VanDerWaalsContact C-N 3.34Å; K354-K356 PolarHBondContact O-N 3.37Å; K356-R359 PolarHBondContact O-N 2.84Å; K356-H360 WeakPolarHBondContact O-CB 3.5Å; K356-H360 PolarHBondContact O-N 3.39Å
357	L	82.7	Confident	74.2	Confident	98 Å²	98	67.4 Å²	67.4	51%	0.513	32%	0.319	S	S	.	.	H	α-helix	trans	-61.7	-47.5	176.1	-65.1	176.5	0	0	0	111.4	H353 K354 R359 H360 E361	H353-L357 PolarHBondContact O-N 3.38Å; H353-L357 VanDerWaalsContact O-N 3.09Å; K354-L357 PolarHBondContact O-N 2.81Å; L357-R359 PolarHBondContact O-N 2.7Å; L357-H360 PolarHBondContact O-N 2.75Å; L357-E361 WeakPolarHBondContact O-CB 3.44Å; L357-E361 PolarHBondContact O-N 3.3Å
358	L	84.5	Confident	75.4	Confident	9 Å²	9	72.2 Å²	72.2	5%	0.047	35%	0.345	C	S	.	.	H	α-helix	trans	-56.9	-48	175.7	178.6	65.1	0	0	0	111.6	K354 L355 H360 E361 L362 L592 F596 I604	K354-L358 WeakPolarHBondContact O-CB 3.49Å; K354-L358 PolarHBondContact O-N 3.36Å; L355-L358 HydrophobicContact CD1-CD2 4.22Å; L358-H360 PolarHBondContact O-N 2.66Å; L358-E361 PolarHBondContact O-N 3.02Å; L358-L362 HydrophobicContact CD1-CD1 3.85Å; L358-L362 HydrophobicContact CD1-CG 4.15Å; L358-L362 HydrophobicContact CG-CD1 3.81Å; L358-L362 HydrophobicContact CG-CG 4.46Å; L358-L362 WeakPolarHBondContact O-CB 3.33Å; L358-L362 WeakPolarHBondContact O-CG 3.15Å; L358-L362 PolarHBondContact O-N 2.97Å; L358-L592 HydrophobicContact CD1-CB 3.77Å; L358-L592 HydrophobicContact CD1-CD1 4.16Å; L358-F596 HydrophobicContact CB-CE2 4.19Å; L358-F596 HydrophobicContact CB-CZ 3.92Å; L358-F596 HydrophobicContact CD2-CE2 3.91Å; L358-F596 HydrophobicContact CD2-CZ 3.83Å; L358-F596 HydrophobicContact CG-CE2 4.44Å; L358-F596 HydrophobicContact CG-CZ 4.43Å; L358-I604 HydrophobicContact CD2-CD1 4.41Å
359	R	83.9	Confident	76.7	Confident	58 Å²	58	71.7 Å²	71.7	22%	0.219	36%	0.356	C	S	.	.	H	α-helix	trans	-63.1	-39.1	177.2	-78	174.9	169.3	156.9	0.4	112.8	L355 K356 L357 S363 S476	L355-R359 WeakPolarHBondContact O-CB 3.3Å; L355-R359 VanDerWaalsContact O-CG 3.32Å; L355-R359 WeakPolarHBondContact O-CG 3.38Å; L355-R359 PolarHBondContact O-N 2.81Å; K356-R359 PolarHBondContact O-N 2.84Å; L357-R359 PolarHBondContact O-N 2.7Å; R359-S363 WeakPolarHBondContact O-CB 3.42Å; R359-S363 PolarHBondContact O-N 3.42Å; R359-S363 PolarHBondContact O-OG 3.1Å; R359-S476 PolarHBondContact NE-OG 3.2Å
360	H	85	Confident	78.2	Confident	104 Å²	104	65.2 Å²	65.2	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-52.1	176.8	-177.8	58	0	0	0	110.8	K356 L357 L358 L362 S363 L364	K356-H360 WeakPolarHBondContact O-CB 3.5Å; K356-H360 PolarHBondContact O-N 3.39Å; L357-H360 PolarHBondContact O-N 2.75Å; L358-H360 PolarHBondContact O-N 2.66Å; H360-L362 PolarHBondContact O-N 2.96Å; H360-S363 WeakPolarHBondContact O-CA 3.39Å; H360-S363 WeakPolarHBondContact O-CB 3.23Å; H360-S363 PolarHBondContact O-N 3.28Å; H360-S363 PolarHBondContact O-OG 3.41Å; H360-L364 PolarHBondContact O-N 3.25Å
361	E	87.3	Confident	79.1	Confident	65 Å²	65	66 Å²	66	30%	0.304	35%	0.345	S	S	.	.	H	α-helix	trans	-61.7	-42.3	179.7	179.5	48.6	-139.3	0	0	112.5	L357 L358 S363 L364 Q365 L592	L357-E361 WeakPolarHBondContact O-CB 3.44Å; L357-E361 PolarHBondContact O-N 3.3Å; L358-E361 PolarHBondContact O-N 3.02Å; E361-S363 VanDerWaalsContact C-N 3.3Å; E361-S363 PolarHBondContact O-N 2.82Å; E361-L364 PolarHBondContact O-N 2.67Å; E361-Q365 PolarHBondContact O-N 3.26Å; E361-Q365 PolarHBondContact OE1-NE2 3.42Å; E361-L592 HydrophobicContact CB-CD2 4.45Å; E361-L592 HydrophobicContact CG-CD1 3.78Å; E361-L592 HydrophobicContact CG-CD2 3.53Å; E361-L592 HydrophobicContact CG-CG 4.32Å
362	L	87.3	Confident	80.2	Confident	5 Å²	5	66 Å²	66	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-35.3	173.8	-66.1	171	0	0	0	112.2	L358 H360 Q365 Q366 F474 I588 L592	L358-L362 HydrophobicContact CD1-CD1 3.85Å; L358-L362 HydrophobicContact CD1-CG 4.15Å; L358-L362 HydrophobicContact CG-CD1 3.81Å; L358-L362 HydrophobicContact CG-CG 4.46Å; L358-L362 WeakPolarHBondContact O-CB 3.33Å; L358-L362 WeakPolarHBondContact O-CG 3.15Å; L358-L362 PolarHBondContact O-N 2.97Å; H360-L362 PolarHBondContact O-N 2.96Å; L362-Q365 PolarHBondContact O-N 2.85Å; L362-Q366 PolarHBondContact O-N 3.09Å; L362-F474 HydrophobicContact CB-CD2 4.41Å; L362-F474 HydrophobicContact CB-CE2 4.27Å; L362-F474 HydrophobicContact CD2-CD2 3.81Å; L362-F474 HydrophobicContact CD2-CE2 4.01Å; L362-F474 WeakPolarHBondContact O-CZ 2.98Å; L362-I588 HydrophobicContact CD1-CD1 4.05Å; L362-I588 HydrophobicContact CD2-CD1 3.73Å; L362-L592 HydrophobicContact CD2-CD1 4.01Å; L362-L592 HydrophobicContact CG-CD1 4.49Å
363	S	84.2	Confident	81.3	Confident	58 Å²	58	73.4 Å²	73.4	41%	0.406	37%	0.371	S	S	.	.	H	α-helix	trans	-69.4	-30.4	175.6	77.6	0	0	0	0	113.5	R359 H360 E361 Q365 Q366	R359-S363 WeakPolarHBondContact O-CB 3.42Å; R359-S363 PolarHBondContact O-N 3.42Å; R359-S363 PolarHBondContact O-OG 3.1Å; H360-S363 WeakPolarHBondContact O-CA 3.39Å; H360-S363 WeakPolarHBondContact O-CB 3.23Å; H360-S363 PolarHBondContact O-N 3.28Å; H360-S363 PolarHBondContact O-OG 3.41Å; E361-S363 VanDerWaalsContact C-N 3.3Å; E361-S363 PolarHBondContact O-N 2.82Å; S363-Q365 VanDerWaalsContact C-N 3.29Å; S363-Q366 WeakPolarHBondContact O-CB 3.42Å; S363-Q366 PolarHBondContact O-N 3.42Å
364	L	85.9	Confident	82.2	Confident	112 Å²	112	68.3 Å²	68.3	59%	0.586	35%	0.347	S	S	*	.	H	α-helix	trans	-67.6	-31.4	171.6	-65.4	175.7	0	0	0	111.7	H360 E361 Q366	H360-L364 PolarHBondContact O-N 3.25Å; E361-L364 PolarHBondContact O-N 2.67Å; L364-Q366 VanDerWaalsContact C-N 3.33Å
365	Q	84.4	Confident	82.9	Confident	55 Å²	55	70.6 Å²	70.6	26%	0.257	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-7.7	175.8	-62.9	-178.8	28.2	0	0	113.9	E361 L362 S363 P367 F474	E361-Q365 PolarHBondContact O-N 3.26Å; E361-Q365 PolarHBondContact OE1-NE2 3.42Å; L362-Q365 PolarHBondContact O-N 2.85Å; S363-Q365 VanDerWaalsContact C-N 3.29Å; Q365-P367 WeakPolarHBondContact O-CD 3.36Å; Q365-F474 HydrophobicContact CB-CE2 4.42Å
366	Q	83.9	Confident	83.7	Confident	63 Å²	63	70 Å²	70	29%	0.294	36%	0.356	S	S	.	.	S	Bend	trans	-79.8	123	178.5	178.2	166.8	-12.5	0	0	110.8	L362 S363 L364 Q368 F474	L362-Q366 PolarHBondContact O-N 3.09Å; S363-Q366 WeakPolarHBondContact O-CB 3.42Å; S363-Q366 PolarHBondContact O-N 3.42Å; L364-Q366 VanDerWaalsContact C-N 3.33Å; Q366-Q368 PolarHBondContact O-N 3.41Å; Q366-F474 HydrophobicContact CB-CE1 4.15Å; Q366-F474 HydrophobicContact CB-CZ 4.09Å; Q366-F474 HydrophobicContact CG-CE1 4.49Å
367	P	83.5	Confident	84.3	Confident	49 Å²	49	64.5 Å²	64.5	32%	0.318	33%	0.334	S	S	.	.			trans	-61.5	130.5	176.7	-23.1	34.3	0	0	0	112.1	Q365 A369 K398 K399	Q365-P367 WeakPolarHBondContact O-CD 3.36Å; P367-A369 PolarHBondContact O-N 3.33Å; P367-A369 VanDerWaalsContact O-N 3.16Å; P367-K398 WeakPolarHBondContact CD-O 3.22Å; P367-K399 HydrophobicContact CB-CG 4.19Å; P367-K399 HydrophobicContact CG-CG 4.01Å
368	Q	70.1	Confident	84.4	Confident	193 Å²	193	62.9 Å²	62.9	90%	0.902	32%	0.321	S	S	*	.	S	Bend	trans	-63.9	-16.5	179.5	-66.6	-71.8	-23	0	0	114	Q366	Q366-Q368 PolarHBondContact O-N 3.41Å
369	A	73.3	Confident	84.3	Confident	76 Å²	76	71.1 Å²	71.1	63%	0.628	36%	0.359	S	S	*	.	S	Bend	trans	-132.7	140.1	-175.9	0	0	0	0	0	113	P367	P367-A369 PolarHBondContact O-N 3.33Å; P367-A369 VanDerWaalsContact O-N 3.16Å
370	G	80.1	Confident	84.4	Confident	41 Å²	41	73.3 Å²	73.3	42%	0.423	37%	0.372	S	S	.	.			trans	94.7	167.5	177.1	0	0	0	0	0	114.4
371	H	82.9	Confident	84.6	Confident	87 Å²	87	68.7 Å²	68.7	40%	0.403	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.5	-176.9	-58.2	-76.5	0	0	0	110.4	R373 R400 M402	H371-R373 HydrophobicContact CB-CG 4.19Å; H371-R373 PolarHBondContact O-N 2.91Å; H371-R400 CarbonylContact C-O 3.58Å; H371-R400 WeakPolarHBondContact CA-O 3.3Å; H371-M402 HydrophobicContact CB-CB 4.49Å
372	C	86.3	Confident	84.7	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.02	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	95.8	164.7	178.9	0	0	0	0	107.3	D396 K399 R400 L401 M402	C372-D396 WeakPolarHBondContact CB-O 3.45Å; C372-K399 HydrophobicContact CB-CB 4.24Å; C372-R400 PolarHBondContact N-O 3.07Å; C372-L401 HydrophobicContact CB-CD1 4.39Å; C372-M402 PolarHBondContact O-N 2.97Å
373	R	87.5	Confident	84.8	Confident	178 Å²	178	67.6 Å²	67.6	67%	0.672	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	127.1	-179.8	-69.7	-177.5	177.7	166.4	-0.1	110.4	H371 M402	H371-R373 HydrophobicContact CB-CG 4.19Å; H371-R373 PolarHBondContact O-N 2.91Å; R373-M402 WeakPolarHBondContact CA-O 3.32Å; R373-M402 HydrophobicContact CG-SD 4.31Å
374	I	89.3	Confident	85.2	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.4	173.8	-61.7	-177.8	0	0	0	107.2	V376 I389 M392 L401 M402 V403 K404 W420	I374-V376 HydrophobicContact CG2-CG1 3.78Å; I374-I389 HydrophobicContact CD1-CD1 3.98Å; I374-I389 HydrophobicContact CD1-CG1 4.03Å; I374-M392 HydrophobicContact CD1-CE 4.25Å; I374-M392 HydrophobicContact CG1-CE 3.93Å; I374-L401 HydrophobicContact CD1-CD1 3.83Å; I374-L401 HydrophobicContact CG1-CD1 4.34Å; I374-M402 PolarHBondContact N-O 3.45Å; I374-V403 HydrophobicContact CB-CG1 4.46Å; I374-V403 HydrophobicContact CB-CG2 4.33Å; I374-V403 HydrophobicContact CG2-CG1 4.41Å; I374-V403 CarbonylContact O-C 3.57Å; I374-V403 WeakPolarHBondContact O-CA 3.32Å; I374-K404 PolarHBondContact O-N 2.93Å; I374-W420 HydrophobicContact CD1-CH2 3.87Å; I374-W420 HydrophobicContact CD1-CZ2 3.89Å; I374-W420 HydrophobicContact CD1-CZ3 4.39Å
375	E	89.3	Confident	85.5	Confident	81 Å²	81	60.3 Å²	60.3	38%	0.379	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.6	178	-175.9	165.4	-148.6	0	0	109.9	Q388 K404	E375-Q388 PolarHBondContact O-NE2 3.04Å; E375-K404 WeakPolarHBondContact CA-O 3.34Å; E375-K404 WeakPolarHBondContact OE1-CD 3.37Å; E375-K404 WeakPolarHBondContact OE1-CE 3.44Å; E375-K404 IonicContact OE1-NZ 3.47Å; E375-K404 PolarHBondContact OE1-NZ 3.47Å
376	V	90.4	Very high	86	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.5	-169.3	-68.3	0	0	0	0	112.5	I374 I381 E384 V403 K404 F405 R406	I374-V376 HydrophobicContact CG2-CG1 3.78Å; V376-I381 HydrophobicContact CG2-CG1 4.35Å; V376-E384 VanDerWaalsContact CA-OE2 3.32Å; V376-E384 WeakPolarHBondContact CA-OE2 3.47Å; V376-E384 HydrophobicContact CB-CB 4.28Å; V376-E384 HydrophobicContact CG1-CB 3.82Å; V376-V403 HydrophobicContact CG2-CG1 4.38Å; V376-K404 PolarHBondContact N-O 3.04Å; V376-F405 HydrophobicContact CG2-CD1 3.94Å; V376-F405 HydrophobicContact CG2-CE1 3.85Å; V376-F405 CarbonylContact O-C 3.55Å; V376-F405 VanDerWaalsContact O-CA 3.24Å; V376-F405 WeakPolarHBondContact O-CA 3.41Å; V376-R406 PolarHBondContact O-N 3.33Å
377	S	88.3	Confident	86.3	Confident	19 Å²	19	62.3 Å²	62.3	13%	0.133	31%	0.305	C	S	.	.			trans	-78.6	152.7	163.7	-178.5	0	0	0	0	110.6	E379 I381 E384	S377-E379 VanDerWaalsContact C-N 3.26Å; S377-E379 PolarHBondContact OG-N 2.89Å; S377-E379 VanDerWaalsContact OG-N 3.14Å; S377-E379 PolarHBondContact OG-OE2 2.73Å; S377-I381 WeakPolarHBondContact O-CA 3.27Å; S377-I381 PolarHBondContact O-N 3.28Å; S377-E384 PolarHBondContact N-OE2 3.42Å
378	R	84.1	Confident	86.8	Confident	64 Å²	64	62.4 Å²	62.4	24%	0.242	30%	0.301	C	S	.	.	S	Bend	trans	-67.9	-28.5	167.8	-68.2	-175.3	179.7	-89.8	-11.8	112.2	F405 E408 E419	R378-F405 HydrophobicContact CG-CD1 3.71Å; R378-F405 HydrophobicContact CG-CE1 3.97Å; R378-F405 HydrophobicContact CG-CG 4.25Å; R378-E408 WeakPolarHBondContact CD-OE1 3.37Å; R378-E408 IonicContact CZ-OE1 2.71Å; R378-E408 IonicContact CZ-OE2 3.25Å; R378-E408 IonicContact NE-OE1 3.17Å; R378-E408 PolarHBondContact NE-OE1 3.2Å; R378-E408 IonicContact NE-OE2 2.8Å; R378-E408 PolarHBondContact NE-OE2 2.87Å; R378-E408 IonicContact NH2-OE1 2.61Å; R378-E408 IonicContact NH2-OE2 2.81Å; R378-E408 PolarHBondContact NH2-OE2 3.44Å; R378-E419 IonicContact CZ-OE1 2.66Å; R378-E419 IonicContact CZ-OE2 3.66Å; R378-E419 VanDerWaalsContact NH1-CD 3.28Å; R378-E419 IonicContact NH1-OE1 3.36Å; R378-E419 PolarHBondContact NH1-OE1 3.27Å; R378-E419 IonicContact NH1-OE2 3.93Å; R378-E419 PolarHBondContact NH1-OE2 3.28Å; R378-E419 IonicContact NH2-OE1 3.83Å; R378-E419 PolarHBondContact NH2-OE1 3.18Å; R378-E419 IonicContact NH2-OE2 3.63Å; R378-E419 PolarHBondContact NH2-OE2 3.12Å
379	E	83.9	Confident	87.9	Confident	181 Å²	181	53.2 Å²	53.2	85%	0.846	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-38.7	-175.4	-58.6	165.2	150.7	0	0	112.8	S377	S377-E379 VanDerWaalsContact C-N 3.26Å; S377-E379 PolarHBondContact OG-N 2.89Å; S377-E379 VanDerWaalsContact OG-N 3.14Å; S377-E379 PolarHBondContact OG-OE2 2.73Å
380	E	85.1	Confident	88.9	Confident	104 Å²	104	51.8 Å²	51.8	49%	0.486	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	32.6	-179.2	-67.2	-160.8	166.1	0	0	112.3	F382 E383 E384 R387	E380-F382 PolarHBondContact O-N 3.26Å; E380-F382 VanDerWaalsContact O-N 3.09Å; E380-E383 PolarHBondContact O-N 2.69Å; E380-E384 HydrophobicContact CB-CG 4.06Å; E380-E384 PolarHBondContact O-N 3.18Å; E380-R387 IonicContact OE2-NH2 3.6Å; E380-R387 PolarHBondContact OE2-NH2 3.39Å
381	I	89.7	Confident	89.5	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-53.7	-39.3	-169.3	-166.3	-179.7	0	0	0	113.2	V376 S377 S385 F405 L423 E427	V376-I381 HydrophobicContact CG2-CG1 4.35Å; S377-I381 WeakPolarHBondContact O-CA 3.27Å; S377-I381 PolarHBondContact O-N 3.28Å; I381-S385 WeakPolarHBondContact O-CB 3.27Å; I381-S385 PolarHBondContact O-N 3.09Å; I381-S385 VanDerWaalsContact O-N 3.14Å; I381-S385 PolarHBondContact O-OG 3.49Å; I381-F405 HydrophobicContact CD1-CE1 4.07Å; I381-F405 HydrophobicContact CD1-CZ 4.36Å; I381-L423 HydrophobicContact CD1-CB 3.38Å; I381-L423 HydrophobicContact CD1-CD1 3.98Å; I381-L423 HydrophobicContact CD1-CG 4.34Å; I381-E427 HydrophobicContact CG2-CG 3.84Å
382	F	90.3	Very high	89.9	Confident	1 Å²	1	56.5 Å²	56.5	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-67.8	-53.4	-178.9	-171.7	-97	0	0	0	112.2	E380 S385 Y386 L424 E427 M428 Y433 L435 Y461 F464	E380-F382 PolarHBondContact O-N 3.26Å; E380-F382 VanDerWaalsContact O-N 3.09Å; F382-S385 PolarHBondContact O-N 3.14Å; F382-Y386 VanDerWaalsContact O-CB 3.32Å; F382-Y386 WeakPolarHBondContact O-CB 3.46Å; F382-Y386 PolarHBondContact O-N 3.13Å; F382-L424 HydrophobicContact CB-CD1 4.34Å; F382-L424 HydrophobicContact CD2-CD1 3.76Å; F382-L424 HydrophobicContact CG-CD1 4.4Å; F382-E427 HydrophobicContact CB-CB 3.83Å; F382-E427 HydrophobicContact CB-CG 4.36Å; F382-E427 HydrophobicContact CD2-CB 3.86Å; F382-E427 HydrophobicContact CG-CB 4.18Å; F382-M428 HydrophobicContact CD2-CG 4.27Å; F382-M428 HydrophobicContact CE2-CB 4.34Å; F382-M428 HydrophobicContact CE2-CG 3.68Å; F382-Y433 HydrophobicContact CB-CE2 4.38Å; F382-Y433 HydrophobicContact CD1-CD1 4.11Å; F382-Y433 HydrophobicContact CD1-CD2 4.2Å; F382-Y433 AromaticContact CD1-CE1 3.51Å; F382-Y433 HydrophobicContact CD1-CE1 3.51Å; F382-Y433 AromaticContact CD1-CE2 3.64Å; F382-Y433 HydrophobicContact CD1-CE2 3.64Å; F382-Y433 HydrophobicContact CD1-CG 4.43Å; F382-Y433 AromaticContact CD1-CZ 3.26Å; F382-Y433 WeakPolarHBondContact CD1-OH 3.48Å; F382-Y433 HydrophobicContact CD2-CE2 4.37Å; F382-Y433 AromaticContact CE1-CD1 3.74Å; F382-Y433 HydrophobicContact CE1-CD1 3.74Å; F382-Y433 AromaticContact CE1-CD2 3.99Å; F382-Y433 HydrophobicContact CE1-CD2 3.99Å; F382-Y433 AromaticContact CE1-CE1 3.63Å; F382-Y433 HydrophobicContact CE1-CE1 3.63Å; F382-Y433 AromaticContact CE1-CE2 3.91Å; F382-Y433 HydrophobicContact CE1-CE2 3.91Å; F382-Y433 AromaticContact CE1-CG 3.93Å; F382-Y433 HydrophobicContact CE1-CG 3.93Å; F382-Y433 AromaticContact CE1-CZ 3.74Å; F382-Y433 HydrophobicContact CG-CE1 4.48Å; F382-Y433 AromaticContact CG-CE2 3.88Å; F382-Y433 HydrophobicContact CG-CE2 3.88Å; F382-Y433 AromaticContact CG-CZ 3.82Å; F382-Y433 HydrophobicContact CZ-CD2 4.24Å; F382-Y433 HydrophobicContact CZ-CE2 4.42Å; F382-Y433 HydrophobicContact CZ-CG 4.34Å; F382-L435 HydrophobicContact CZ-CD1 4.04Å; F382-Y461 HydrophobicContact CD1-CE1 4.4Å; F382-Y461 AromaticContact CE1-CD1 3.55Å; F382-Y461 HydrophobicContact CE1-CD1 3.55Å; F382-Y461 AromaticContact CE1-CE1 3.57Å; F382-Y461 HydrophobicContact CE1-CE1 3.57Å; F382-Y461 AromaticContact CZ-CD1 3.87Å; F382-Y461 HydrophobicContact CZ-CD1 3.87Å; F382-Y461 HydrophobicContact CZ-CE1 4.35Å; F382-F464 HydrophobicContact CD2-CE1 4.28Å; F382-F464 HydrophobicContact CE2-CD1 4.49Å; F382-F464 AromaticContact CE2-CE1 3.9Å; F382-F464 HydrophobicContact CE2-CE1 3.9Å; F382-F464 HydrophobicContact CZ-CD1 4.41Å; F382-F464 HydrophobicContact CZ-CE1 4.17Å
383	E	89	Confident	90.1	Very high	45 Å²	45	64.1 Å²	64.1	21%	0.21	28%	0.276	C	S	.	.	H	α-helix	trans	-69.1	-40.8	-176.4	-73.8	-59.9	146.6	0	0	113	E380 S385 Y386 R387 Y433 Y461	E380-E383 PolarHBondContact O-N 2.69Å; E383-S385 VanDerWaalsContact C-N 3.34Å; E383-Y386 PolarHBondContact O-N 2.89Å; E383-R387 WeakPolarHBondContact O-CB 3.43Å; E383-R387 WeakPolarHBondContact O-CG 3.17Å; E383-R387 PolarHBondContact O-N 2.82Å; E383-R387 PolarHBondContact O-NE 3.45Å; E383-R387 VanDerWaalsContact O-NE 3.14Å; E383-Y433 WeakPolarHBondContact OE1-CE1 3.48Å; E383-Y461 PolarHBondContact OE1-OH 2.95Å
384	E	91.5	Very high	90.3	Very high	18 Å²	18	57.6 Å²	57.6	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-69	-33.7	175.8	-67.5	-157.2	131.5	0	0	111.9	V376 S377 E380 Q388 R406	V376-E384 VanDerWaalsContact CA-OE2 3.32Å; V376-E384 WeakPolarHBondContact CA-OE2 3.47Å; V376-E384 HydrophobicContact CB-CB 4.28Å; V376-E384 HydrophobicContact CG1-CB 3.82Å; S377-E384 PolarHBondContact N-OE2 3.42Å; E380-E384 HydrophobicContact CB-CG 4.06Å; E380-E384 PolarHBondContact O-N 3.18Å; E384-Q388 WeakPolarHBondContact O-CG 3.37Å; E384-Q388 PolarHBondContact O-N 2.88Å; E384-Q388 PolarHBondContact O-NE2 2.81Å; E384-R406 IonicContact OE1-CZ 2.95Å; E384-R406 IonicContact OE1-NH1 2.8Å; E384-R406 PolarHBondContact OE1-NH1 3.12Å; E384-R406 VanDerWaalsContact OE1-NH1 3.16Å; E384-R406 IonicContact OE1-NH2 3.27Å; E384-R406 PolarHBondContact OE1-NH2 3.13Å; E384-R406 IonicContact OE2-CZ 2.72Å; E384-R406 IonicContact OE2-NH1 3.58Å; E384-R406 IonicContact OE2-NH2 2.84Å; E384-R406 PolarHBondContact OE2-NH2 2.97Å
385	S	93.4	Very high	90.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.7	-43.9	173.3	-62	0	0	0	0	111.9	I381 F382 E383 Q388 I389 W420	I381-S385 WeakPolarHBondContact O-CB 3.27Å; I381-S385 PolarHBondContact O-N 3.09Å; I381-S385 VanDerWaalsContact O-N 3.14Å; I381-S385 PolarHBondContact O-OG 3.49Å; F382-S385 PolarHBondContact O-N 3.14Å; E383-S385 VanDerWaalsContact C-N 3.34Å; S385-Q388 PolarHBondContact O-N 3.42Å; S385-I389 WeakPolarHBondContact O-CB 3.48Å; S385-I389 PolarHBondContact O-N 2.79Å; S385-W420 PolarHBondContact OG-NE1 2.69Å
386	Y	93.4	Very high	90.3	Very high	38 Å²	38	63.3 Å²	63.3	15%	0.149	28%	0.282	C	S	.	.	H	α-helix	trans	-56	-54.1	176.2	168.5	-113	0	0	0	111.1	F382 E383 Q388 I389 M390 S460 Y461 F464	F382-Y386 VanDerWaalsContact O-CB 3.32Å; F382-Y386 WeakPolarHBondContact O-CB 3.46Å; F382-Y386 PolarHBondContact O-N 3.13Å; E383-Y386 PolarHBondContact O-N 2.89Å; Y386-Q388 VanDerWaalsContact C-N 3.28Å; Y386-Q388 PolarHBondContact O-N 3.24Å; Y386-I389 PolarHBondContact O-N 2.94Å; Y386-M390 HydrophobicContact CD2-CG 3.64Å; Y386-M390 HydrophobicContact CE2-CE 4.49Å; Y386-M390 HydrophobicContact CE2-CG 3.57Å; Y386-M390 VanDerWaalsContact O-CB 3.32Å; Y386-M390 WeakPolarHBondContact O-CB 3.47Å; Y386-M390 VanDerWaalsContact O-CG 3.28Å; Y386-M390 WeakPolarHBondContact O-CG 3.37Å; Y386-M390 PolarHBondContact O-N 3.21Å; Y386-S460 VanDerWaalsContact OH-CB 3.3Å; Y386-S460 WeakPolarHBondContact OH-CB 3.37Å; Y386-S460 PolarHBondContact OH-OG 3.41Å; Y386-Y461 AromaticContact CD1-CE1 3.89Å; Y386-Y461 HydrophobicContact CD1-CE1 3.89Å; Y386-Y461 AromaticContact CD2-CD1 3.92Å; Y386-Y461 HydrophobicContact CD2-CD1 3.92Å; Y386-Y461 HydrophobicContact CD2-CE1 4.07Å; Y386-Y461 HydrophobicContact CE1-CE1 4.02Å; Y386-Y461 HydrophobicContact CE2-CD1 4.01Å; Y386-Y461 HydrophobicContact CE2-CE1 4.19Å; Y386-Y461 HydrophobicContact CG-CD1 4.22Å; Y386-Y461 AromaticContact CG-CE1 3.94Å; Y386-Y461 HydrophobicContact CG-CE1 3.94Å; Y386-F464 VanDerWaalsContact CA-CE2 3.49Å; Y386-F464 HydrophobicContact CD2-CB 3.7Å; Y386-F464 HydrophobicContact CD2-CD1 4.03Å; Y386-F464 HydrophobicContact CD2-CD2 4.21Å; Y386-F464 AromaticContact CD2-CG 3.73Å; Y386-F464 HydrophobicContact CD2-CG 3.73Å; Y386-F464 HydrophobicContact CE2-CB 4.13Å
387	R	91.7	Very high	90.2	Very high	121 Å²	121	63.3 Å²	63.3	46%	0.457	28%	0.282	S	S	.	.	H	α-helix	trans	-56	-39.5	178.3	-74.2	177.1	-101.6	142.1	-11	112.7	E380 E383 K391	E380-R387 IonicContact OE2-NH2 3.6Å; E380-R387 PolarHBondContact OE2-NH2 3.39Å; E383-R387 WeakPolarHBondContact O-CB 3.43Å; E383-R387 WeakPolarHBondContact O-CG 3.17Å; E383-R387 PolarHBondContact O-N 2.82Å; E383-R387 PolarHBondContact O-NE 3.45Å; E383-R387 VanDerWaalsContact O-NE 3.14Å; R387-K391 VanDerWaalsContact O-CB 3.32Å; R387-K391 WeakPolarHBondContact O-CB 3.38Å
388	Q	93.3	Very high	90.3	Very high	51 Å²	51	63.8 Å²	63.8	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-76.9	-49	-179.8	-75.1	173.9	81.9	0	0	113.1	E375 E384 S385 Y386 M390 K391 M392	E375-Q388 PolarHBondContact O-NE2 3.04Å; E384-Q388 WeakPolarHBondContact O-CG 3.37Å; E384-Q388 PolarHBondContact O-N 2.88Å; E384-Q388 PolarHBondContact O-NE2 2.81Å; S385-Q388 PolarHBondContact O-N 3.42Å; Y386-Q388 VanDerWaalsContact C-N 3.28Å; Y386-Q388 PolarHBondContact O-N 3.24Å; Q388-M390 PolarHBondContact O-N 2.99Å; Q388-K391 PolarHBondContact O-N 2.91Å; Q388-M392 HydrophobicContact CB-CE 4.31Å; Q388-M392 WeakPolarHBondContact O-CG 3.27Å; Q388-M392 PolarHBondContact O-N 3.28Å; Q388-M392 VanDerWaalsContact O-N 3.09Å
389	I	93.9	Very high	90.6	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-70.3	-33	-175.3	-73.2	172.1	0	0	0	112.2	I374 S385 Y386 M392 L397 W420 F464 R467 V468 L471	I374-I389 HydrophobicContact CD1-CD1 3.98Å; I374-I389 HydrophobicContact CD1-CG1 4.03Å; S385-I389 WeakPolarHBondContact O-CB 3.48Å; S385-I389 PolarHBondContact O-N 2.79Å; Y386-I389 PolarHBondContact O-N 2.94Å; I389-M392 HydrophobicContact CG1-CE 4.16Å; I389-L397 HydrophobicContact CG1-CD2 4.26Å; I389-L397 HydrophobicContact CG2-CD1 4.3Å; I389-L397 HydrophobicContact CG2-CD2 4.37Å; I389-W420 HydrophobicContact CD1-CH2 3.54Å; I389-W420 HydrophobicContact CD1-CZ2 3.54Å; I389-F464 HydrophobicContact CB-CD2 3.98Å; I389-F464 HydrophobicContact CB-CE2 3.84Å; I389-F464 HydrophobicContact CD1-CE2 3.88Å; I389-F464 HydrophobicContact CG1-CE2 4.37Å; I389-F464 HydrophobicContact CG2-CD2 3.84Å; I389-F464 HydrophobicContact CG2-CE2 4.08Å; I389-R467 HydrophobicContact CG2-CB 3.88Å; I389-R467 PolarHBondContact O-NH1 2.84Å; I389-V468 HydrophobicContact CD1-CG2 4.25Å; I389-L471 HydrophobicContact CD1-CD2 4.47Å
390	M	93.5	Very high	90.6	Very high	45 Å²	45	59.9 Å²	59.9	22%	0.222	26%	0.26	C	S	.	.	H	α-helix	trans	-72.3	-36.2	176.1	-66.4	-60.3	-78.7	0	0	112.2	Y386 Q388 M392 S460 H463 F464 R467	Y386-M390 HydrophobicContact CD2-CG 3.64Å; Y386-M390 HydrophobicContact CE2-CE 4.49Å; Y386-M390 HydrophobicContact CE2-CG 3.57Å; Y386-M390 VanDerWaalsContact O-CB 3.32Å; Y386-M390 WeakPolarHBondContact O-CB 3.47Å; Y386-M390 VanDerWaalsContact O-CG 3.28Å; Y386-M390 WeakPolarHBondContact O-CG 3.37Å; Y386-M390 PolarHBondContact O-N 3.21Å; Q388-M390 PolarHBondContact O-N 2.99Å; M390-M392 VanDerWaalsContact C-N 3.35Å; M390-S460 WeakPolarHBondContact CE-OG 3.19Å; M390-H463 HydrophobicContact CE-CB 4.14Å; M390-H463 VanDerWaalsContact CE-ND1 3.32Å; M390-H463 WeakPolarHBondContact CE-ND1 3.37Å; M390-F464 HydrophobicContact CG-CB 4.1Å; M390-F464 HydrophobicContact CG-CD2 4.44Å; M390-F464 HydrophobicContact SD-CB 3.74Å; M390-R467 PolarHBondContact O-NH1 3.04Å
391	K	92.9	Very high	90.7	Very high	189 Å²	189	55.5 Å²	55.5	82%	0.822	24%	0.24	S	C	*	.	H	α-helix	trans	-69.8	-28.6	175.1	-173.2	175	-178.7	178.1	0	113.2	R387 Q388	R387-K391 VanDerWaalsContact O-CB 3.32Å; R387-K391 WeakPolarHBondContact O-CB 3.38Å; Q388-K391 PolarHBondContact O-N 2.91Å
392	M	91.8	Very high	90.5	Very high	38 Å²	38	58 Å²	58	19%	0.187	25%	0.252	C	S	.	.	S	Bend	trans	-74.2	147.4	177.9	-76.7	-170.4	-83	0	0	112.8	I374 Q388 I389 M390 L397 R467	I374-M392 HydrophobicContact CD1-CE 4.25Å; I374-M392 HydrophobicContact CG1-CE 3.93Å; Q388-M392 HydrophobicContact CB-CE 4.31Å; Q388-M392 WeakPolarHBondContact O-CG 3.27Å; Q388-M392 PolarHBondContact O-N 3.28Å; Q388-M392 VanDerWaalsContact O-N 3.09Å; I389-M392 HydrophobicContact CG1-CE 4.16Å; M390-M392 VanDerWaalsContact C-N 3.35Å; M392-L397 HydrophobicContact CB-CD2 3.89Å; M392-L397 HydrophobicContact CB-CG 4.01Å; M392-L397 HydrophobicContact CE-CD2 3.74Å; M392-L397 HydrophobicContact SD-CD2 4.02Å; M392-R467 PolarHBondContact O-NH1 3.18Å
393	R	91	Very high	90.4	Very high	164 Å²	164	58 Å²	58	62%	0.619	25%	0.253	S	S	*	.			trans	-83.7	151.8	173.4	-56.9	174.9	-60.4	-172.8	0.1	109.8	K395 D396 L397	R393-K395 PolarHBondContact O-N 2.73Å; R393-K395 VanDerWaalsContact O-N 3.13Å; R393-D396 IonicContact CZ-OD2 3Å; R393-D396 VanDerWaalsContact CZ-OD2 3.27Å; R393-D396 IonicContact NE-OD2 3.74Å; R393-D396 PolarHBondContact NE-OD2 3.48Å; R393-D396 IonicContact NH2-OD1 2.74Å; R393-D396 IonicContact NH2-OD2 3.8Å; R393-D396 PolarHBondContact NH2-OD2 3.39Å; R393-D396 WeakPolarHBondContact O-CB 3.27Å; R393-D396 PolarHBondContact O-N 3.23Å; R393-L397 PolarHBondContact O-N 3.4Å
394	P	89.9	Confident	90.2	Very high	40 Å²	40	60.3 Å²	60.3	26%	0.26	26%	0.262	S	S	.	.	H	α-helix	trans	-54.4	-36.2	179.3	-29	36.3	0	0	0	114.6	D396 L397 K398 E586 L587	P394-D396 VanDerWaalsContact C-N 3.27Å; P394-D396 PolarHBondContact O-N 3.09Å; P394-L397 PolarHBondContact O-N 2.67Å; P394-K398 WeakPolarHBondContact O-CG 3.29Å; P394-K398 PolarHBondContact O-N 3.45Å; P394-K398 VanDerWaalsContact O-N 3.15Å; P394-E586 HydrophobicContact CB-CB 4.27Å; P394-E586 HydrophobicContact CG-CB 3.95Å; P394-E586 HydrophobicContact CG-CG 4.19Å; P394-L587 HydrophobicContact CB-CD2 4.25Å
395	K	88.8	Confident	90	Very high	172 Å²	172	59.7 Å²	59.7	75%	0.748	26%	0.259	S	S	*	.	H	α-helix	trans	-64.2	-28.6	175.6	-64.9	-173.1	179.3	-176	0	113.8	R393	R393-K395 PolarHBondContact O-N 2.73Å; R393-K395 VanDerWaalsContact O-N 3.13Å
396	D	89.9	Confident	89.5	Confident	30 Å²	30	66.2 Å²	66.2	16%	0.16	28%	0.284	C	S	.	.	H	α-helix	trans	-82.5	-36.2	179	-64.6	-59.5	0	0	0	110.7	C372 R393 P394 K398 K399	C372-D396 WeakPolarHBondContact CB-O 3.45Å; R393-D396 IonicContact CZ-OD2 3Å; R393-D396 VanDerWaalsContact CZ-OD2 3.27Å; R393-D396 IonicContact NE-OD2 3.74Å; R393-D396 PolarHBondContact NE-OD2 3.48Å; R393-D396 IonicContact NH2-OD1 2.74Å; R393-D396 IonicContact NH2-OD2 3.8Å; R393-D396 PolarHBondContact NH2-OD2 3.39Å; R393-D396 WeakPolarHBondContact O-CB 3.27Å; R393-D396 PolarHBondContact O-N 3.23Å; P394-D396 VanDerWaalsContact C-N 3.27Å; P394-D396 PolarHBondContact O-N 3.09Å; D396-K398 VanDerWaalsContact C-N 3.3Å; D396-K398 PolarHBondContact O-N 2.76Å; D396-K399 VanDerWaalsContact O-CB 3.31Å; D396-K399 WeakPolarHBondContact O-CB 3.44Å; D396-K399 WeakPolarHBondContact O-CG 3.43Å; D396-K399 PolarHBondContact O-N 3.43Å; D396-K399 VanDerWaalsContact O-N 3.17Å; D396-K399 WeakPolarHBondContact OD1-CE 3.48Å; D396-K399 IonicContact OD1-NZ 3.1Å; D396-K399 PolarHBondContact OD1-NZ 3.48Å
397	L	89.8	Confident	88.8	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-64.8	-28.1	172.8	-66.3	173.4	0	0	0	113.7	I389 M392 R393 P394 K399 L471 H475 L587	I389-L397 HydrophobicContact CG1-CD2 4.26Å; I389-L397 HydrophobicContact CG2-CD1 4.3Å; I389-L397 HydrophobicContact CG2-CD2 4.37Å; M392-L397 HydrophobicContact CB-CD2 3.89Å; M392-L397 HydrophobicContact CB-CG 4.01Å; M392-L397 HydrophobicContact CE-CD2 3.74Å; M392-L397 HydrophobicContact SD-CD2 4.02Å; R393-L397 PolarHBondContact O-N 3.4Å; P394-L397 PolarHBondContact O-N 2.67Å; L397-K399 VanDerWaalsContact C-N 3.26Å; L397-K399 PolarHBondContact O-N 2.9Å; L397-L471 HydrophobicContact CB-CD1 4.35Å; L397-L471 WeakPolarHBondContact O-CD1 3.35Å; L397-H475 PolarHBondContact O-NE2 3.24Å; L397-L587 HydrophobicContact CB-CD2 3.8Å; L397-L587 HydrophobicContact CD1-CD1 4.49Å; L397-L587 HydrophobicContact CD1-CD2 4.29Å
398	K	90	Very high	88.2	Confident	29 Å²	29	64.5 Å²	64.5	13%	0.126	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.7	173.4	-72.5	-170.7	175.3	-165.5	0	114.3	P367 P394 D396 F474 L587	P367-K398 WeakPolarHBondContact CD-O 3.22Å; P394-K398 WeakPolarHBondContact O-CG 3.29Å; P394-K398 PolarHBondContact O-N 3.45Å; P394-K398 VanDerWaalsContact O-N 3.15Å; D396-K398 VanDerWaalsContact C-N 3.3Å; D396-K398 PolarHBondContact O-N 2.76Å; K398-F474 HydrophobicContact CB-CE1 4.06Å; K398-F474 HydrophobicContact CB-CE2 4.25Å; K398-F474 HydrophobicContact CB-CZ 3.78Å; K398-F474 HydrophobicContact CD-CD2 4.37Å; K398-F474 HydrophobicContact CD-CE2 3.65Å; K398-F474 HydrophobicContact CD-CZ 3.97Å; K398-F474 HydrophobicContact CG-CD2 4.11Å; K398-F474 HydrophobicContact CG-CE1 4.25Å; K398-F474 HydrophobicContact CG-CE2 3.67Å; K398-F474 HydrophobicContact CG-CZ 3.74Å; K398-F474 WeakPolarHBondContact O-CE1 3.47Å; K398-L587 WeakPolarHBondContact CE-O 3.45Å; K398-L587 HydrophobicContact CG-CD2 4.1Å; K398-L587 PolarHBondContact NZ-O 3.49Å
399	K	89.4	Confident	86.7	Confident	54 Å²	54	72 Å²	72	24%	0.235	34%	0.339	C	S	.	.	S	Bend	trans	-71.3	161.9	174.2	-65.6	169.9	176.8	166.4	0	110.5	P367 C372 D396 L397 L401 H475	P367-K399 HydrophobicContact CB-CG 4.19Å; P367-K399 HydrophobicContact CG-CG 4.01Å; C372-K399 HydrophobicContact CB-CB 4.24Å; D396-K399 VanDerWaalsContact O-CB 3.31Å; D396-K399 WeakPolarHBondContact O-CB 3.44Å; D396-K399 WeakPolarHBondContact O-CG 3.43Å; D396-K399 PolarHBondContact O-N 3.43Å; D396-K399 VanDerWaalsContact O-N 3.17Å; D396-K399 WeakPolarHBondContact OD1-CE 3.48Å; D396-K399 IonicContact OD1-NZ 3.1Å; D396-K399 PolarHBondContact OD1-NZ 3.48Å; L397-K399 VanDerWaalsContact C-N 3.26Å; L397-K399 PolarHBondContact O-N 2.9Å; K399-L401 PolarHBondContact O-N 3.38Å; K399-H475 PolarHBondContact O-CE1 3.36Å
400	R	85	Confident	85	Confident	109 Å²	109	73.7 Å²	73.7	41%	0.411	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	116.8	176.5	-177.5	176.9	-177.3	164.1	8.5	110.3	H371 C372 S671	H371-R400 CarbonylContact C-O 3.58Å; H371-R400 WeakPolarHBondContact CA-O 3.3Å; C372-R400 PolarHBondContact N-O 3.07Å; R400-S671 PolarHBondContact NH2-O 3.26Å
401	L	86.3	Confident	83.3	Confident	12 Å²	12	78 Å²	78	6%	0.063	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	138.8	179.1	-173.1	59.1	0	0	0	110.6	C372 I374 K399 V403 A417 W420 L471	C372-L401 HydrophobicContact CB-CD1 4.39Å; I374-L401 HydrophobicContact CD1-CD1 3.83Å; I374-L401 HydrophobicContact CG1-CD1 4.34Å; K399-L401 PolarHBondContact O-N 3.38Å; L401-V403 HydrophobicContact CD1-CG2 4.04Å; L401-V403 HydrophobicContact CD2-CG2 4.39Å; L401-V403 HydrophobicContact CG-CG2 4.01Å; L401-A417 HydrophobicContact CD2-CB 3.9Å; L401-A417 HydrophobicContact CG-CB 4.15Å; L401-W420 HydrophobicContact CD2-CE3 4.45Å; L401-W420 HydrophobicContact CD2-CZ3 4.09Å; L401-L471 HydrophobicContact CD1-CD2 4.39Å; L401-L471 HydrophobicContact CD2-CD2 4.21Å; L401-L471 HydrophobicContact CD2-CG 4.46Å
402	M	85.9	Confident	81.8	Confident	60 Å²	60	69.6 Å²	69.6	30%	0.296	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	104.1	177.9	176.5	174.1	-83	0	0	108	H371 C372 R373 I374 D412	H371-M402 HydrophobicContact CB-CB 4.49Å; C372-M402 PolarHBondContact O-N 2.97Å; R373-M402 WeakPolarHBondContact CA-O 3.32Å; R373-M402 HydrophobicContact CG-SD 4.31Å; I374-M402 PolarHBondContact N-O 3.45Å; M402-D412 WeakPolarHBondContact CA-OD2 3.28Å; M402-D412 HydrophobicContact CG-CB 4.49Å
403	V	87.2	Confident	80.4	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.006	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.1	-178.2	-172.5	0	0	0	0	110.2	I374 V376 L401 D412 V416 A417 W420	I374-V403 HydrophobicContact CB-CG1 4.46Å; I374-V403 HydrophobicContact CB-CG2 4.33Å; I374-V403 HydrophobicContact CG2-CG1 4.41Å; I374-V403 CarbonylContact O-C 3.57Å; I374-V403 WeakPolarHBondContact O-CA 3.32Å; V376-V403 HydrophobicContact CG2-CG1 4.38Å; L401-V403 HydrophobicContact CD1-CG2 4.04Å; L401-V403 HydrophobicContact CD2-CG2 4.39Å; L401-V403 HydrophobicContact CG-CG2 4.01Å; V403-D412 PolarHBondContact N-OD2 2.88Å; V403-D412 WeakPolarHBondContact O-CB 3.48Å; V403-V416 HydrophobicContact CB-CG1 4.36Å; V403-V416 HydrophobicContact CG1-CG1 4.44Å; V403-V416 WeakPolarHBondContact O-CG1 3.24Å; V403-A417 HydrophobicContact CG2-CB 3.94Å; V403-W420 HydrophobicContact CB-CB 4.3Å; V403-W420 HydrophobicContact CB-CG 4.43Å; V403-W420 HydrophobicContact CG1-CB 3.67Å; V403-W420 HydrophobicContact CG1-CD2 4.18Å; V403-W420 HydrophobicContact CG1-CG 3.6Å; V403-W420 HydrophobicContact CG2-CB 4.31Å; V403-W420 HydrophobicContact CG2-CD2 3.96Å; V403-W420 HydrophobicContact CG2-CE3 3.8Å; V403-W420 HydrophobicContact CG2-CG 4.17Å
404	K	85.9	Confident	79.2	Confident	93 Å²	93	66.1 Å²	66.1	40%	0.404	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.4	176.2	-177	-174.1	169.6	-145.9	0	109.6	I374 E375 V376	I374-K404 PolarHBondContact O-N 2.93Å; E375-K404 WeakPolarHBondContact CA-O 3.34Å; E375-K404 WeakPolarHBondContact OE1-CD 3.37Å; E375-K404 WeakPolarHBondContact OE1-CE 3.44Å; E375-K404 IonicContact OE1-NZ 3.47Å; E375-K404 PolarHBondContact OE1-NZ 3.47Å; V376-K404 PolarHBondContact N-O 3.04Å
405	F	86.3	Confident	78.4	Confident	5 Å²	5	64.2 Å²	64.2	2%	0.022	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132.9	168.1	-71.6	-70.2	0	0	0	110.5	V376 R378 I381 G407 E408 V416 E419 W420 L423	V376-F405 HydrophobicContact CG2-CD1 3.94Å; V376-F405 HydrophobicContact CG2-CE1 3.85Å; V376-F405 CarbonylContact O-C 3.55Å; V376-F405 VanDerWaalsContact O-CA 3.24Å; V376-F405 WeakPolarHBondContact O-CA 3.41Å; R378-F405 HydrophobicContact CG-CD1 3.71Å; R378-F405 HydrophobicContact CG-CE1 3.97Å; R378-F405 HydrophobicContact CG-CG 4.25Å; I381-F405 HydrophobicContact CD1-CE1 4.07Å; I381-F405 HydrophobicContact CD1-CZ 4.36Å; F405-G407 PolarHBondContact O-N 3.05Å; F405-E408 HydrophobicContact CB-CB 4.11Å; F405-E408 VanDerWaalsContact CB-CD 3.47Å; F405-E408 HydrophobicContact CB-CG 4.23Å; F405-E408 VanDerWaalsContact CB-OE1 3.29Å; F405-E408 WeakPolarHBondContact CB-OE1 3.23Å; F405-E408 PolarHBondContact O-N 3.38Å; F405-V416 HydrophobicContact CD2-CG1 3.53Å; F405-V416 HydrophobicContact CE2-CG1 3.52Å; F405-E419 VanDerWaalsContact CE2-OE2 3.27Å; F405-E419 WeakPolarHBondContact CE2-OE2 3.46Å; F405-W420 HydrophobicContact CZ-CB 4.08Å; F405-L423 HydrophobicContact CZ-CD1 4.08Å
406	R	83.8	Confident	78	Confident	138 Å²	138	56.8 Å²	56.8	52%	0.521	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	121	-178.2	-169.8	-173.7	-62.5	142.8	11.3	109.3	V376 E384	V376-R406 PolarHBondContact O-N 3.33Å; E384-R406 IonicContact OE1-CZ 2.95Å; E384-R406 IonicContact OE1-NH1 2.8Å; E384-R406 PolarHBondContact OE1-NH1 3.12Å; E384-R406 VanDerWaalsContact OE1-NH1 3.16Å; E384-R406 IonicContact OE1-NH2 3.27Å; E384-R406 PolarHBondContact OE1-NH2 3.13Å; E384-R406 IonicContact OE2-CZ 2.72Å; E384-R406 IonicContact OE2-NH1 3.58Å; E384-R406 IonicContact OE2-NH2 2.84Å; E384-R406 PolarHBondContact OE2-NH2 2.97Å
407	G	77.6	Confident	77.7	Confident	81 Å²	81	55.4 Å²	55.4	84%	0.835	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.8	-4.8	-176.5	0	0	0	0	0	114.8	F405	F405-G407 PolarHBondContact O-N 3.05Å
408	E	79.3	Confident	77.2	Confident	42 Å²	42	56.8 Å²	56.8	20%	0.196	29%	0.288	C	S	.	.			trans	-107.8	137	178.3	-74.3	165.1	-123.5	0	0	112	R378 F405 G410 A725	R378-E408 WeakPolarHBondContact CD-OE1 3.37Å; R378-E408 IonicContact CZ-OE1 2.71Å; R378-E408 IonicContact CZ-OE2 3.25Å; R378-E408 IonicContact NE-OE1 3.17Å; R378-E408 PolarHBondContact NE-OE1 3.2Å; R378-E408 IonicContact NE-OE2 2.8Å; R378-E408 PolarHBondContact NE-OE2 2.87Å; R378-E408 IonicContact NH2-OE1 2.61Å; R378-E408 IonicContact NH2-OE2 2.81Å; R378-E408 PolarHBondContact NH2-OE2 3.44Å; F405-E408 HydrophobicContact CB-CB 4.11Å; F405-E408 VanDerWaalsContact CB-CD 3.47Å; F405-E408 HydrophobicContact CB-CG 4.23Å; F405-E408 VanDerWaalsContact CB-OE1 3.29Å; F405-E408 WeakPolarHBondContact CB-OE1 3.23Å; F405-E408 PolarHBondContact O-N 3.38Å; E408-G410 VanDerWaalsContact C-N 3.3Å; E408-G410 PolarHBondContact O-N 3.02Å; E408-A725 HydrophobicContact CG-CB 4.17Å
409	E	62.2	Low	77	Confident	208 Å²	208	55.9 Å²	55.9	97%	0.972	28%	0.284	S	S	*	.			trans	-81.8	73.1	171.5	-66.1	-152.8	162.4	0	0	111.5
410	G	58.5	Low	76.9	Confident	37 Å²	37	53.3 Å²	53.3	38%	0.381	27%	0.273	S	S	.	.			trans	-106	115.4	176.8	0	0	0	0	0	113.6	E408 D412	E408-G410 VanDerWaalsContact C-N 3.3Å; E408-G410 PolarHBondContact O-N 3.02Å; G410-D412 PolarHBondContact O-N 2.89Å
411	L	58.3	Low	77	Confident	135 Å²	135	48.2 Å²	48.2	71%	0.707	25%	0.254	S	S	*	.			trans	-83.1	96.6	162.6	-74.7	171	0	0	0	109.4	Y413	L411-Y413 HydrophobicContact CB-CD2 4.24Å; L411-Y413 HydrophobicContact CB-CE2 3.69Å; L411-Y413 HydrophobicContact CD1-CE2 4.41Å; L411-Y413 VanDerWaalsContact O-CD2 3.24Å; L411-Y413 WeakPolarHBondContact O-CD2 3.49Å; L411-Y413 PolarHBondContact O-N 3.33Å
412	D	61	Low	76.8	Confident	12 Å²	12	49.8 Å²	49.8	6%	0.064	26%	0.259	C	S	.	.			trans	-73.9	104.2	-178.4	-173.7	33.5	0	0	0	112.5	M402 V403 G410 G414 G415 V416 A417	M402-D412 WeakPolarHBondContact CA-OD2 3.28Å; M402-D412 HydrophobicContact CG-CB 4.49Å; V403-D412 PolarHBondContact N-OD2 2.88Å; V403-D412 WeakPolarHBondContact O-CB 3.48Å; G410-D412 PolarHBondContact O-N 2.89Å; D412-G414 VanDerWaalsContact OD1-CA 3.27Å; D412-G414 WeakPolarHBondContact OD1-CA 3.48Å; D412-G414 PolarHBondContact OD1-N 3.3Å; D412-G415 PolarHBondContact OD1-N 2.87Å; D412-V416 HydrophobicContact CB-CB 3.94Å; D412-V416 HydrophobicContact CB-CG2 3.98Å; D412-V416 WeakPolarHBondContact OD1-CB 3.48Å; D412-V416 PolarHBondContact OD1-N 2.9Å; D412-A417 PolarHBondContact OD1-N 2.89Å
413	Y	62	Low	76.7	Confident	117 Å²	117	49.4 Å²	49.4	46%	0.459	26%	0.258	S	S	.	.	S	Bend	trans	-102.3	28.5	164	-51.6	-92.6	0	0	0	112.3	L411 S671	L411-Y413 HydrophobicContact CB-CD2 4.24Å; L411-Y413 HydrophobicContact CB-CE2 3.69Å; L411-Y413 HydrophobicContact CD1-CE2 4.41Å; L411-Y413 VanDerWaalsContact O-CD2 3.24Å; L411-Y413 WeakPolarHBondContact O-CD2 3.49Å; L411-Y413 PolarHBondContact O-N 3.33Å; Y413-S671 WeakPolarHBondContact O-CA 3.36Å; Y413-S671 WeakPolarHBondContact O-CB 3.42Å
414	G	67.1	Low	76.8	Confident	13 Å²	13	49.3 Å²	49.3	13%	0.134	26%	0.258	C	S	.	.	S	Bend	trans	101.2	2.8	175.7	0	0	0	0	0	115	D412 R418	D412-G414 VanDerWaalsContact OD1-CA 3.27Å; D412-G414 WeakPolarHBondContact OD1-CA 3.48Å; D412-G414 PolarHBondContact OD1-N 3.3Å; G414-R418 VanDerWaalsContact O-CD 3.3Å; G414-R418 WeakPolarHBondContact O-CD 3.41Å; G414-R418 VanDerWaalsContact O-CG 3.26Å; G414-R418 WeakPolarHBondContact O-CG 3.05Å; G414-R418 PolarHBondContact O-NE 3.34Å
415	G	72.2	Confident	76.6	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-82.1	-44.1	172.1	0	0	0	0	0	112.1	D412 A417 R418 E419	D412-G415 PolarHBondContact OD1-N 2.87Å; G415-A417 VanDerWaalsContact C-N 3.34Å; G415-R418 PolarHBondContact O-N 3.29Å; G415-E419 PolarHBondContact O-N 3.43Å
416	V	81	Confident	76.2	Confident	15 Å²	15	48 Å²	48	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-68.3	-38.2	178.4	-170.5	0	0	0	0	109.8	V403 F405 D412 R418 E419 W420	V403-V416 HydrophobicContact CB-CG1 4.36Å; V403-V416 HydrophobicContact CG1-CG1 4.44Å; V403-V416 WeakPolarHBondContact O-CG1 3.24Å; F405-V416 HydrophobicContact CD2-CG1 3.53Å; F405-V416 HydrophobicContact CE2-CG1 3.52Å; D412-V416 HydrophobicContact CB-CB 3.94Å; D412-V416 HydrophobicContact CB-CG2 3.98Å; D412-V416 WeakPolarHBondContact OD1-CB 3.48Å; D412-V416 PolarHBondContact OD1-N 2.9Å; V416-R418 VanDerWaalsContact C-N 3.28Å; V416-R418 PolarHBondContact O-N 3.05Å; V416-E419 PolarHBondContact O-N 3.49Å; V416-W420 VanDerWaalsContact O-CB 3.32Å; V416-W420 WeakPolarHBondContact O-CB 3.49Å; V416-W420 PolarHBondContact O-N 3.4Å
417	A	82.8	Confident	76.2	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-57.8	-34.8	173.6	0	0	0	0	0	114.3	L401 V403 D412 G415 L421	L401-A417 HydrophobicContact CD2-CB 3.9Å; L401-A417 HydrophobicContact CG-CB 4.15Å; V403-A417 HydrophobicContact CG2-CB 3.94Å; D412-A417 PolarHBondContact OD1-N 2.89Å; G415-A417 VanDerWaalsContact C-N 3.34Å; A417-L421 PolarHBondContact O-N 2.92Å; A417-L421 VanDerWaalsContact O-N 3.09Å
418	R	80.5	Confident	76.3	Confident	30 Å²	30	40.9 Å²	40.9	11%	0.113	20%	0.204	C	C	.	.	H	α-helix	trans	-74.6	-42.6	177.4	-63.2	162.9	-160.3	-178.7	-0.6	111.7	G414 G415 V416 L421 Y422 T655 G656 Q669	G414-R418 VanDerWaalsContact O-CD 3.3Å; G414-R418 WeakPolarHBondContact O-CD 3.41Å; G414-R418 VanDerWaalsContact O-CG 3.26Å; G414-R418 WeakPolarHBondContact O-CG 3.05Å; G414-R418 PolarHBondContact O-NE 3.34Å; G415-R418 PolarHBondContact O-N 3.29Å; V416-R418 VanDerWaalsContact C-N 3.28Å; V416-R418 PolarHBondContact O-N 3.05Å; R418-L421 PolarHBondContact O-N 3.5Å; R418-Y422 WeakPolarHBondContact O-CB 3.26Å; R418-Y422 PolarHBondContact O-N 3.16Å; R418-T655 VanDerWaalsContact CD-O 3.32Å; R418-T655 WeakPolarHBondContact CD-O 3.04Å; R418-T655 PolarHBondContact NH1-O 3Å; R418-G656 WeakPolarHBondContact CB-O 3.41Å; R418-Q669 PolarHBondContact NH1-O 3.47Å; R418-Q669 VanDerWaalsContact NH1-O 3.1Å; R418-Q669 PolarHBondContact NH2-O 2.75Å
419	E	83.8	Confident	76	Confident	11 Å²	11	40.3 Å²	40.3	5%	0.051	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-45.1	174.5	-175.3	-168.1	-152.3	0	0	111	R378 F405 G415 V416 L421 Y422 L423 F724	R378-E419 IonicContact CZ-OE1 2.66Å; R378-E419 IonicContact CZ-OE2 3.66Å; R378-E419 VanDerWaalsContact NH1-CD 3.28Å; R378-E419 IonicContact NH1-OE1 3.36Å; R378-E419 PolarHBondContact NH1-OE1 3.27Å; R378-E419 IonicContact NH1-OE2 3.93Å; R378-E419 PolarHBondContact NH1-OE2 3.28Å; R378-E419 IonicContact NH2-OE1 3.83Å; R378-E419 PolarHBondContact NH2-OE1 3.18Å; R378-E419 IonicContact NH2-OE2 3.63Å; R378-E419 PolarHBondContact NH2-OE2 3.12Å; F405-E419 VanDerWaalsContact CE2-OE2 3.27Å; F405-E419 WeakPolarHBondContact CE2-OE2 3.46Å; G415-E419 PolarHBondContact O-N 3.43Å; V416-E419 PolarHBondContact O-N 3.49Å; E419-L421 PolarHBondContact O-N 3.31Å; E419-Y422 WeakPolarHBondContact O-CB 3.42Å; E419-Y422 PolarHBondContact O-N 3.27Å; E419-Y422 VanDerWaalsContact O-N 3.12Å; E419-L423 HydrophobicContact CG-CD1 4.01Å; E419-L423 HydrophobicContact CG-CG 4.27Å; E419-L423 WeakPolarHBondContact O-CG 3.34Å; E419-L423 PolarHBondContact O-N 2.81Å; E419-F724 HydrophobicContact CB-CE2 3.64Å; E419-F724 HydrophobicContact CB-CZ 4.22Å; E419-F724 HydrophobicContact CG-CE2 4.07Å; E419-F724 WeakPolarHBondContact OE2-CD2 3.42Å; E419-F724 WeakPolarHBondContact OE2-CE2 3.03Å
420	W	87.9	Confident	76.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-56.9	-47.7	175.3	166.6	75.9	0	0	0	111.9	I374 S385 I389 L401 V403 F405 V416 Y422 L423 L424 L471	I374-W420 HydrophobicContact CD1-CH2 3.87Å; I374-W420 HydrophobicContact CD1-CZ2 3.89Å; I374-W420 HydrophobicContact CD1-CZ3 4.39Å; S385-W420 PolarHBondContact OG-NE1 2.69Å; I389-W420 HydrophobicContact CD1-CH2 3.54Å; I389-W420 HydrophobicContact CD1-CZ2 3.54Å; L401-W420 HydrophobicContact CD2-CE3 4.45Å; L401-W420 HydrophobicContact CD2-CZ3 4.09Å; V403-W420 HydrophobicContact CB-CB 4.3Å; V403-W420 HydrophobicContact CB-CG 4.43Å; V403-W420 HydrophobicContact CG1-CB 3.67Å; V403-W420 HydrophobicContact CG1-CD2 4.18Å; V403-W420 HydrophobicContact CG1-CG 3.6Å; V403-W420 HydrophobicContact CG2-CB 4.31Å; V403-W420 HydrophobicContact CG2-CD2 3.96Å; V403-W420 HydrophobicContact CG2-CE3 3.8Å; V403-W420 HydrophobicContact CG2-CG 4.17Å; F405-W420 HydrophobicContact CZ-CB 4.08Å; V416-W420 VanDerWaalsContact O-CB 3.32Å; V416-W420 WeakPolarHBondContact O-CB 3.49Å; V416-W420 PolarHBondContact O-N 3.4Å; W420-Y422 PolarHBondContact O-N 3.41Å; W420-L423 PolarHBondContact O-N 2.82Å; W420-L424 HydrophobicContact CH2-CD2 4.07Å; W420-L424 HydrophobicContact CZ2-CD2 3.55Å; W420-L424 WeakPolarHBondContact O-CB 3.46Å; W420-L424 PolarHBondContact O-N 3.25Å; W420-L471 HydrophobicContact CH2-CD2 3.71Å; W420-L471 HydrophobicContact CZ3-CD2 3.79Å
421	L	87.1	Confident	77.2	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-44.8	173.3	-81.7	174.1	0	0	0	111.7	A417 R418 E419 L424 C425 V468 A472 H477	A417-L421 PolarHBondContact O-N 2.92Å; A417-L421 VanDerWaalsContact O-N 3.09Å; R418-L421 PolarHBondContact O-N 3.5Å; E419-L421 PolarHBondContact O-N 3.31Å; L421-L424 PolarHBondContact O-N 3.15Å; L421-C425 WeakPolarHBondContact O-CB 3.43Å; L421-C425 PolarHBondContact O-N 3.07Å; L421-C425 PolarHBondContact O-SG 2.91Å; L421-V468 HydrophobicContact CD2-CG1 3.8Å; L421-A472 HydrophobicContact CD1-CB 4.06Å; L421-A472 HydrophobicContact CD2-CB 4.47Å; L421-H477 HydrophobicContact CD1-CB 3.37Å
422	Y	81.9	Confident	77.9	Confident	46 Å²	46	36.9 Å²	36.9	18%	0.18	18%	0.176	C	C	.	.	H	α-helix	trans	-57.9	-51.1	178.1	173.9	-86.1	0	0	0	111.8	R418 E419 W420 C425 H426 N480 T658	R418-Y422 WeakPolarHBondContact O-CB 3.26Å; R418-Y422 PolarHBondContact O-N 3.16Å; E419-Y422 WeakPolarHBondContact O-CB 3.42Å; E419-Y422 PolarHBondContact O-N 3.27Å; E419-Y422 VanDerWaalsContact O-N 3.12Å; W420-Y422 PolarHBondContact O-N 3.41Å; Y422-C425 WeakPolarHBondContact O-CB 3.2Å; Y422-C425 PolarHBondContact O-N 3.48Å; Y422-H426 AromaticContact CD1-CE1 3.92Å; Y422-H426 AromaticContact CD1-ND1 3.89Å; Y422-H426 AromaticContact CD2-CE1 3.79Å; Y422-H426 AromaticContact CE1-CE1 3.48Å; Y422-H426 VanDerWaalsContact CE1-CE1 3.48Å; Y422-H426 WeakPolarHBondContact CE1-CE1 3.4Å; Y422-H426 AromaticContact CE1-ND1 3.72Å; Y422-H426 AromaticContact CE2-CE1 3.34Å; Y422-H426 WeakPolarHBondContact CE2-CE1 3.44Å; Y422-H426 AromaticContact CZ-CE1 3.18Å; Y422-H426 AromaticContact CZ-ND1 3.9Å; Y422-H426 AromaticContact CZ-NE2 3.83Å; Y422-H426 PolarHBondContact O-N 2.95Å; Y422-H426 PolarHBondContact O-ND1 3.21Å; Y422-N480 HydrophobicContact CD2-CB 4.04Å; Y422-N480 HydrophobicContact CE2-CB 4.24Å; Y422-T658 HydrophobicContact CD2-CG2 4.1Å; Y422-T658 HydrophobicContact CE2-CG2 3.48Å; Y422-T658 VanDerWaalsContact CE2-CG2 3.48Å
423	L	84.9	Confident	78.8	Confident	51 Å²	51	37.8 Å²	37.8	27%	0.267	18%	0.178	S	C	.	.	H	α-helix	trans	-63.6	-45.2	179.6	-70.1	175.1	0	0	0	111.2	I381 F405 E419 W420 C425 H426 E427	I381-L423 HydrophobicContact CD1-CB 3.38Å; I381-L423 HydrophobicContact CD1-CD1 3.98Å; I381-L423 HydrophobicContact CD1-CG 4.34Å; F405-L423 HydrophobicContact CZ-CD1 4.08Å; E419-L423 HydrophobicContact CG-CD1 4.01Å; E419-L423 HydrophobicContact CG-CG 4.27Å; E419-L423 WeakPolarHBondContact O-CG 3.34Å; E419-L423 PolarHBondContact O-N 2.81Å; W420-L423 PolarHBondContact O-N 2.82Å; L423-C425 VanDerWaalsContact C-N 3.27Å; L423-C425 PolarHBondContact O-N 3.04Å; L423-H426 PolarHBondContact O-N 2.86Å; L423-E427 PolarHBondContact O-N 2.85Å; L423-E427 VanDerWaalsContact O-N 3.12Å
424	L	87.8	Confident	79.6	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.2	-38.4	176.9	-174.9	63.8	0	0	0	111.9	F382 W420 L421 H426 E427 M428 F464 V468	F382-L424 HydrophobicContact CB-CD1 4.34Å; F382-L424 HydrophobicContact CD2-CD1 3.76Å; F382-L424 HydrophobicContact CG-CD1 4.4Å; W420-L424 HydrophobicContact CH2-CD2 4.07Å; W420-L424 HydrophobicContact CZ2-CD2 3.55Å; W420-L424 WeakPolarHBondContact O-CB 3.46Å; W420-L424 PolarHBondContact O-N 3.25Å; L421-L424 PolarHBondContact O-N 3.15Å; L424-H426 VanDerWaalsContact C-N 3.3Å; L424-H426 PolarHBondContact O-N 3.04Å; L424-E427 PolarHBondContact O-N 3.34Å; L424-M428 HydrophobicContact CG-SD 4.31Å; L424-M428 WeakPolarHBondContact O-CG 3.4Å; L424-M428 PolarHBondContact O-N 3.35Å; L424-F464 HydrophobicContact CD1-CE1 4.24Å; L424-F464 HydrophobicContact CD1-CZ 3.95Å; L424-F464 HydrophobicContact CD2-CZ 3.95Å; L424-F464 HydrophobicContact CG-CZ 4.43Å; L424-V468 HydrophobicContact CD2-CB 4.49Å; L424-V468 HydrophobicContact CD2-CG1 3.87Å; L424-V468 HydrophobicContact CD2-CG2 3.72Å
425	C	82.1	Confident	80.5	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.02	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-32.3	175.1	-69.2	0	0	0	0	113	L421 Y422 L423 L429	L421-C425 WeakPolarHBondContact O-CB 3.43Å; L421-C425 PolarHBondContact O-N 3.07Å; L421-C425 PolarHBondContact O-SG 2.91Å; Y422-C425 WeakPolarHBondContact O-CB 3.2Å; Y422-C425 PolarHBondContact O-N 3.48Å; L423-C425 VanDerWaalsContact C-N 3.27Å; L423-C425 PolarHBondContact O-N 3.04Å; C425-L429 WeakPolarHBondContact O-CG 3.25Å
426	H	77.8	Confident	81.1	Confident	68 Å²	68	32.9 Å²	32.9	32%	0.315	16%	0.158	S	C	.	.	H	α-helix	trans	-74.2	-41.8	175.3	-69.1	77.3	0	0	0	111.2	Y422 L423 L424 M428 L429 N430 N480	Y422-H426 AromaticContact CD1-CE1 3.92Å; Y422-H426 AromaticContact CD1-ND1 3.89Å; Y422-H426 AromaticContact CD2-CE1 3.79Å; Y422-H426 AromaticContact CE1-CE1 3.48Å; Y422-H426 VanDerWaalsContact CE1-CE1 3.48Å; Y422-H426 WeakPolarHBondContact CE1-CE1 3.4Å; Y422-H426 AromaticContact CE1-ND1 3.72Å; Y422-H426 AromaticContact CE2-CE1 3.34Å; Y422-H426 WeakPolarHBondContact CE2-CE1 3.44Å; Y422-H426 AromaticContact CZ-CE1 3.18Å; Y422-H426 AromaticContact CZ-ND1 3.9Å; Y422-H426 AromaticContact CZ-NE2 3.83Å; Y422-H426 PolarHBondContact O-N 2.95Å; Y422-H426 PolarHBondContact O-ND1 3.21Å; L423-H426 PolarHBondContact O-N 2.86Å; L424-H426 VanDerWaalsContact C-N 3.3Å; L424-H426 PolarHBondContact O-N 3.04Å; H426-M428 VanDerWaalsContact C-N 3.3Å; H426-M428 PolarHBondContact O-N 3.1Å; H426-L429 WeakPolarHBondContact O-CB 3.44Å; H426-L429 PolarHBondContact O-N 2.83Å; H426-N430 PolarHBondContact O-N 3.06Å; H426-N480 PolarHBondContact CE1-ND2 3.07Å; H426-N480 PolarHBondContact NE2-ND2 3.26Å; H426-N480 VanDerWaalsContact NE2-ND2 3.17Å
427	E	83.6	Confident	80.9	Confident	64 Å²	64	35.7 Å²	35.7	30%	0.299	17%	0.171	S	C	.	.	H	α-helix	trans	-66	-30.5	175.8	-74.2	-54.6	134.1	0	0	113.3	I381 F382 L423 L424 L429 N430 Y433	I381-E427 HydrophobicContact CG2-CG 3.84Å; F382-E427 HydrophobicContact CB-CB 3.83Å; F382-E427 HydrophobicContact CB-CG 4.36Å; F382-E427 HydrophobicContact CD2-CB 3.86Å; F382-E427 HydrophobicContact CG-CB 4.18Å; L423-E427 PolarHBondContact O-N 2.85Å; L423-E427 VanDerWaalsContact O-N 3.12Å; L424-E427 PolarHBondContact O-N 3.34Å; E427-L429 PolarHBondContact O-N 3.03Å; E427-L429 VanDerWaalsContact O-N 3.13Å; E427-N430 WeakPolarHBondContact O-CB 3.36Å; E427-N430 PolarHBondContact O-N 3.21Å; E427-N430 PolarHBondContact OE2-ND2 3.47Å; E427-Y433 WeakPolarHBondContact O-CD2 3.21Å
428	M	81.1	Confident	80.3	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.02	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.1	169.8	-74.6	162.6	50.2	0	0	112.9	F382 L424 H426 F436 V465 V468	F382-M428 HydrophobicContact CD2-CG 4.27Å; F382-M428 HydrophobicContact CE2-CB 4.34Å; F382-M428 HydrophobicContact CE2-CG 3.68Å; L424-M428 HydrophobicContact CG-SD 4.31Å; L424-M428 WeakPolarHBondContact O-CG 3.4Å; L424-M428 PolarHBondContact O-N 3.35Å; H426-M428 VanDerWaalsContact C-N 3.3Å; H426-M428 PolarHBondContact O-N 3.1Å; M428-F436 WeakPolarHBondContact O-CD2 2.99Å; M428-V465 HydrophobicContact CE-CB 4.27Å; M428-V465 HydrophobicContact CE-CG1 3.62Å; M428-V465 HydrophobicContact CE-CG2 3.94Å; M428-V465 HydrophobicContact CG-CG2 4.11Å; M428-V465 HydrophobicContact SD-CG2 4.39Å; M428-V468 HydrophobicContact SD-CG1 4.1Å
429	L	72.6	Confident	79.3	Confident	31 Å²	31	39.5 Å²	39.5	16%	0.162	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-1.8	178.9	-46.3	-178.9	0	0	0	113.1	C425 H426 E427 P431 F436 L446	C425-L429 WeakPolarHBondContact O-CG 3.25Å; H426-L429 WeakPolarHBondContact O-CB 3.44Å; H426-L429 PolarHBondContact O-N 2.83Å; E427-L429 PolarHBondContact O-N 3.03Å; E427-L429 VanDerWaalsContact O-N 3.13Å; L429-P431 VanDerWaalsContact O-CD 3.3Å; L429-P431 WeakPolarHBondContact O-CD 3.45Å; L429-F436 HydrophobicContact CD2-CB 4.46Å; L429-F436 HydrophobicContact CD2-CD2 4.43Å; L429-L446 HydrophobicContact CD1-CD1 3.71Å; L429-L446 HydrophobicContact CD1-CD2 4.18Å; L429-L446 HydrophobicContact CD2-CD1 3.43Å; L429-L446 VanDerWaalsContact CD2-CD1 3.43Å; L429-L446 HydrophobicContact CD2-CD2 3.9Å; L429-L446 HydrophobicContact CD2-CG 4.23Å; L429-L446 HydrophobicContact CG-CD1 4.21Å; L429-L446 HydrophobicContact CG-CD2 4.49Å
430	N	75.1	Confident	77.7	Confident	50 Å²	50	44.4 Å²	44.4	27%	0.267	22%	0.218	S	C	.	.			trans	-61.7	119.5	-178.3	-175.1	-21.5	0	0	0	109.6	H426 E427 Y432 Y433	H426-N430 PolarHBondContact O-N 3.06Å; E427-N430 WeakPolarHBondContact O-CB 3.36Å; E427-N430 PolarHBondContact O-N 3.21Å; E427-N430 PolarHBondContact OE2-ND2 3.47Å; N430-Y432 PolarHBondContact O-N 2.9Å; N430-Y432 VanDerWaalsContact OD1-CB 3.26Å; N430-Y432 WeakPolarHBondContact OD1-CB 3.16Å; N430-Y432 PolarHBondContact OD1-N 3.45Å; N430-Y432 VanDerWaalsContact OD1-N 3.1Å; N430-Y433 HydrophobicContact CB-CD2 3.86Å; N430-Y433 HydrophobicContact CB-CE2 3.93Å; N430-Y433 PolarHBondContact O-N 3.19Å
431	P	70.5	Confident	75.6	Confident	85 Å²	85	49 Å²	49	55%	0.552	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18	-177.4	-26.8	35.7	0	0	0	114.3	L429 G434	L429-P431 VanDerWaalsContact O-CD 3.3Å; L429-P431 WeakPolarHBondContact O-CD 3.45Å; P431-G434 PolarHBondContact O-N 3.48Å
432	Y	73.8	Confident	73.5	Confident	173 Å²	173	52.3 Å²	52.3	68%	0.678	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-43	176.3	-174.9	-99.8	0	0	0	113.2	N430 G434	N430-Y432 PolarHBondContact O-N 2.9Å; N430-Y432 VanDerWaalsContact OD1-CB 3.26Å; N430-Y432 WeakPolarHBondContact OD1-CB 3.16Å; N430-Y432 PolarHBondContact OD1-N 3.45Å; N430-Y432 VanDerWaalsContact OD1-N 3.1Å; Y432-G434 VanDerWaalsContact C-N 3.26Å; Y432-G434 PolarHBondContact O-N 2.92Å
433	Y	78.4	Confident	71.8	Confident	30 Å²	30	56.3 Å²	56.3	12%	0.118	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-15.6	179.7	-56.3	-70.2	0	0	0	113.2	F382 E383 E427 N430 L435 N455	F382-Y433 HydrophobicContact CB-CE2 4.38Å; F382-Y433 HydrophobicContact CD1-CD1 4.11Å; F382-Y433 HydrophobicContact CD1-CD2 4.2Å; F382-Y433 AromaticContact CD1-CE1 3.51Å; F382-Y433 HydrophobicContact CD1-CE1 3.51Å; F382-Y433 AromaticContact CD1-CE2 3.64Å; F382-Y433 HydrophobicContact CD1-CE2 3.64Å; F382-Y433 HydrophobicContact CD1-CG 4.43Å; F382-Y433 AromaticContact CD1-CZ 3.26Å; F382-Y433 WeakPolarHBondContact CD1-OH 3.48Å; F382-Y433 HydrophobicContact CD2-CE2 4.37Å; F382-Y433 AromaticContact CE1-CD1 3.74Å; F382-Y433 HydrophobicContact CE1-CD1 3.74Å; F382-Y433 AromaticContact CE1-CD2 3.99Å; F382-Y433 HydrophobicContact CE1-CD2 3.99Å; F382-Y433 AromaticContact CE1-CE1 3.63Å; F382-Y433 HydrophobicContact CE1-CE1 3.63Å; F382-Y433 AromaticContact CE1-CE2 3.91Å; F382-Y433 HydrophobicContact CE1-CE2 3.91Å; F382-Y433 AromaticContact CE1-CG 3.93Å; F382-Y433 HydrophobicContact CE1-CG 3.93Å; F382-Y433 AromaticContact CE1-CZ 3.74Å; F382-Y433 HydrophobicContact CG-CE1 4.48Å; F382-Y433 AromaticContact CG-CE2 3.88Å; F382-Y433 HydrophobicContact CG-CE2 3.88Å; F382-Y433 AromaticContact CG-CZ 3.82Å; F382-Y433 HydrophobicContact CZ-CD2 4.24Å; F382-Y433 HydrophobicContact CZ-CE2 4.42Å; F382-Y433 HydrophobicContact CZ-CG 4.34Å; E383-Y433 WeakPolarHBondContact OE1-CE1 3.48Å; E427-Y433 WeakPolarHBondContact O-CD2 3.21Å; N430-Y433 HydrophobicContact CB-CD2 3.86Å; N430-Y433 HydrophobicContact CB-CE2 3.93Å; N430-Y433 PolarHBondContact O-N 3.19Å; Y433-L435 PolarHBondContact O-N 3.31Å; Y433-N455 PolarHBondContact O-ND2 3.27Å; Y433-N455 VanDerWaalsContact O-ND2 3.12Å
434	G	80.2	Confident	70.2	Confident	10 Å²	10	62.7 Å²	62.7	10%	0.103	31%	0.305	C	S	.	.			trans	68.1	13.4	176.7	0	0	0	0	0	115.6	P431 Y432 N449 S452	P431-G434 PolarHBondContact O-N 3.48Å; Y432-G434 VanDerWaalsContact C-N 3.26Å; Y432-G434 PolarHBondContact O-N 2.92Å; G434-N449 VanDerWaalsContact O-CB 3.31Å; G434-N449 WeakPolarHBondContact O-CB 3.48Å; G434-N449 PolarHBondContact O-ND2 3.08Å; G434-S452 WeakPolarHBondContact O-CA 3.37Å; G434-S452 WeakPolarHBondContact O-CB 3.43Å
435	L	84.4	Confident	69	Low	1 Å²	1	64 Å²	64	1%	0.005	31%	0.314	C	S	.	.			trans	-76.4	-47.5	-171.1	-55.9	175.3	0	0	0	113.2	F382 Y433 N449 H458 Y461 F462	F382-L435 HydrophobicContact CZ-CD1 4.04Å; Y433-L435 PolarHBondContact O-N 3.31Å; L435-N449 WeakPolarHBondContact O-CB 3.19Å; L435-N449 PolarHBondContact O-N 3.43Å; L435-H458 HydrophobicContact CD2-CB 4.11Å; L435-Y461 HydrophobicContact CD1-CG 4.4Å; L435-Y461 HydrophobicContact CD2-CG 4.44Å; L435-F462 HydrophobicContact CB-CE1 4.15Å; L435-F462 HydrophobicContact CB-CZ 3.93Å; L435-F462 HydrophobicContact CD2-CD2 4.46Å; L435-F462 HydrophobicContact CD2-CE2 3.95Å; L435-F462 HydrophobicContact CD2-CZ 4.07Å; L435-F462 VanDerWaalsContact O-CZ 3.31Å; L435-F462 WeakPolarHBondContact O-CZ 3.28Å
436	F	85.5	Confident	68.6	Low	16 Å²	16	64.1 Å²	64.1	7%	0.07	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	155.3	-176.8	-64.4	-82.8	0	0	0	111.4	M428 L429 Q447 I448 F462 V465 F483 L580	M428-F436 WeakPolarHBondContact O-CD2 2.99Å; L429-F436 HydrophobicContact CD2-CB 4.46Å; L429-F436 HydrophobicContact CD2-CD2 4.43Å; F436-Q447 WeakPolarHBondContact CA-O 3.47Å; F436-I448 HydrophobicContact CD1-CG1 4.28Å; F436-I448 HydrophobicContact CE1-CG1 3.82Å; F436-F462 HydrophobicContact CE1-CE1 4.24Å; F436-F462 HydrophobicContact CE2-CE1 4.21Å; F436-F462 HydrophobicContact CZ-CD1 4.3Å; F436-F462 AromaticContact CZ-CE1 3.89Å; F436-F462 HydrophobicContact CZ-CE1 3.89Å; F436-V465 HydrophobicContact CE2-CG1 4.34Å; F436-V465 HydrophobicContact CE2-CG2 4.32Å; F436-V465 HydrophobicContact CZ-CG1 4.07Å; F436-F483 HydrophobicContact CD1-CE1 4.25Å; F436-F483 HydrophobicContact CE1-CD1 4.38Å; F436-F483 AromaticContact CE1-CE1 3.74Å; F436-F483 HydrophobicContact CE1-CE1 3.74Å; F436-F483 HydrophobicContact CZ-CE1 4.13Å; F436-L580 HydrophobicContact CZ-CD1 4.42Å
437	Q	77.3	Confident	68.7	Low	74 Å²	74	62.9 Å²	62.9	35%	0.346	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.7	169.5	67.4	179.6	-2.5	0	0	109.5	Q447 N449	Q437-Q447 HydrophobicContact CG-CG 3.66Å; Q437-Q447 PolarHBondContact N-O 3.34Å; Q437-Q447 VanDerWaalsContact O-CG 3.23Å; Q437-Q447 WeakPolarHBondContact O-CG 3.45Å; Q437-Q447 PolarHBondContact O-N 2.91Å; Q437-Q447 VanDerWaalsContact O-O 3.1Å; Q437-N449 HydrophobicContact CB-CB 4.48Å; Q437-N449 HydrophobicContact CG-CB 4.43Å
438	Y	69.3	Low	68.9	Low	101 Å²	101	60.1 Å²	60.1	40%	0.396	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	152.9	172.7	-63.8	-79	0	0	0	111.1	I443 T445 L446 Q447	Y438-I443 WeakPolarHBondContact CD1-O 3.5Å; Y438-I443 WeakPolarHBondContact CE1-O 3.43Å; Y438-T445 WeakPolarHBondContact CA-O 3.45Å; Y438-L446 HydrophobicContact CD1-CD2 3.9Å; Y438-L446 HydrophobicContact CE1-CD2 3.77Å; Y438-Q447 PolarHBondContact O-NE2 3.18Å
439	S	60.3	Low	69.1	Low	11 Å²	11	60.9 Å²	60.9	8%	0.077	30%	0.3	C	S	.	.			trans	-62.9	155.3	166.2	-165.6	0	0	0	0	110.6	D441 T445	S439-D441 PolarHBondContact O-N 2.91Å; S439-T445 VanDerWaalsContact CB-OG1 3.32Å; S439-T445 WeakPolarHBondContact CB-OG1 3.46Å; S439-T445 PolarHBondContact N-O 3.24Å
440	T	50.6	Low	69.6	Low	114 Å²	114	61.7 Å²	61.7	70%	0.699	31%	0.307	S	S	*	.	S	Bend	trans	-64.9	-32.2	-179.1	47.1	0	0	0	0	112.5
441	D	43.9	Very low	70	Confident	97 Å²	97	62.1 Å²	62.1	52%	0.519	31%	0.309	S	S	.	.	S	Bend	trans	-109.1	-13.8	-164.4	-59.7	7.4	0	0	0	112.4	S439 P506	S439-D441 PolarHBondContact O-N 2.91Å; D441-P506 WeakPolarHBondContact OD2-CD 3.36Å; D441-P506 WeakPolarHBondContact OD2-CG 3.24Å
442	N	42.3	Very low	70.7	Confident	69 Å²	69	58 Å²	58	37%	0.369	28%	0.283	S	S	.	.			trans	-141.2	116.6	-177.2	-169.2	-11.5	0	0	0	111.6	Y444 T445	N442-Y444 PolarHBondContact O-N 2.87Å; N442-Y444 WeakPolarHBondContact OD1-CD2 3.32Å; N442-Y444 PolarHBondContact OD1-N 2.86Å; N442-T445 PolarHBondContact O-N 2.8Å
443	I	46.6	Very low	71.1	Confident	131 Å²	131	53.7 Å²	53.7	67%	0.672	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-17	-178.4	-53.6	172.4	0	0	0	111.5	Y438	Y438-I443 WeakPolarHBondContact CD1-O 3.5Å; Y438-I443 WeakPolarHBondContact CE1-O 3.43Å
444	Y	50.9	Low	71.2	Confident	184 Å²	184	58.4 Å²	58.4	72%	0.722	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-9.1	-177.2	-56.3	-71.1	0	0	0	114.5	N442	N442-Y444 PolarHBondContact O-N 2.87Å; N442-Y444 WeakPolarHBondContact OD1-CD2 3.32Å; N442-Y444 PolarHBondContact OD1-N 2.86Å
445	T	63.6	Low	71.2	Confident	29 Å²	29	59.1 Å²	59.1	18%	0.178	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.4	-178.9	61.4	0	0	0	0	113.6	Y438 S439 N442 S482	Y438-T445 WeakPolarHBondContact CA-O 3.45Å; S439-T445 VanDerWaalsContact CB-OG1 3.32Å; S439-T445 WeakPolarHBondContact CB-OG1 3.46Å; S439-T445 PolarHBondContact N-O 3.24Å; N442-T445 PolarHBondContact O-N 2.8Å; T445-S482 CarbonylContact C-O 3.52Å; T445-S482 WeakPolarHBondContact CA-O 3.44Å
446	L	73.6	Confident	71.2	Confident	5 Å²	5	64.4 Å²	64.4	3%	0.026	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.1	-170.4	-63.1	162.4	0	0	0	111.5	L429 Y438 S482 F483 T484	L429-L446 HydrophobicContact CD1-CD1 3.71Å; L429-L446 HydrophobicContact CD1-CD2 4.18Å; L429-L446 HydrophobicContact CD2-CD1 3.43Å; L429-L446 VanDerWaalsContact CD2-CD1 3.43Å; L429-L446 HydrophobicContact CD2-CD2 3.9Å; L429-L446 HydrophobicContact CD2-CG 4.23Å; L429-L446 HydrophobicContact CG-CD1 4.21Å; L429-L446 HydrophobicContact CG-CD2 4.49Å; Y438-L446 HydrophobicContact CD1-CD2 3.9Å; Y438-L446 HydrophobicContact CE1-CD2 3.77Å; L446-S482 PolarHBondContact N-O 2.79Å; L446-F483 HydrophobicContact CB-CD1 4.16Å; L446-F483 WeakPolarHBondContact O-CA 3.42Å; L446-T484 PolarHBondContact O-N 3.45Å
447	Q	79.3	Confident	71.3	Confident	41 Å²	41	67.8 Å²	67.8	19%	0.192	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151	175.2	52.8	172.9	-15	0	0	110	F436 Q437 Y438 N449 T484	F436-Q447 WeakPolarHBondContact CA-O 3.47Å; Q437-Q447 HydrophobicContact CG-CG 3.66Å; Q437-Q447 PolarHBondContact N-O 3.34Å; Q437-Q447 VanDerWaalsContact O-CG 3.23Å; Q437-Q447 WeakPolarHBondContact O-CG 3.45Å; Q437-Q447 PolarHBondContact O-N 2.91Å; Q437-Q447 VanDerWaalsContact O-O 3.1Å; Y438-Q447 PolarHBondContact O-NE2 3.18Å; Q447-N449 PolarHBondContact O-N 3.25Å; Q447-T484 HydrophobicContact CB-CG2 4.47Å
448	I	87.9	Confident	71.8	Confident	7 Å²	7	65.2 Å²	65.2	4%	0.036	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	134.9	172.9	-65.5	176.6	0	0	0	108.6	F436 P450 F462 F487 I573 Q576 F577	F436-I448 HydrophobicContact CD1-CG1 4.28Å; F436-I448 HydrophobicContact CE1-CG1 3.82Å; I448-P450 WeakPolarHBondContact O-CD 3.49Å; I448-F462 HydrophobicContact CD1-CE1 4.44Å; I448-F462 HydrophobicContact CG1-CE1 4.13Å; I448-F462 HydrophobicContact CG2-CE1 3.96Å; I448-F462 HydrophobicContact CG2-CZ 3.73Å; I448-F487 HydrophobicContact CD1-CE2 4.3Å; I448-I573 HydrophobicContact CB-CB 4.23Å; I448-I573 HydrophobicContact CB-CD1 4.35Å; I448-I573 HydrophobicContact CB-CG2 4.01Å; I448-I573 HydrophobicContact CD1-CD1 4.43Å; I448-I573 HydrophobicContact CG2-CB 3.87Å; I448-I573 HydrophobicContact CG2-CG2 3.69Å; I448-Q576 HydrophobicContact CD1-CB 4.48Å; I448-Q576 HydrophobicContact CG2-CB 3.86Å; I448-Q576 HydrophobicContact CG2-CG 4.2Å; I448-F577 HydrophobicContact CD1-CB 4.2Å; I448-F577 HydrophobicContact CD1-CD2 4.03Å
449	N	85.5	Confident	73	Confident	20 Å²	20	63.8 Å²	63.8	11%	0.107	35%	0.345	C	S	.	.			trans	-75.7	119.4	174	178.1	21.1	0	0	0	110.1	G434 L435 Q437 Q447 D451 S452	G434-N449 VanDerWaalsContact O-CB 3.31Å; G434-N449 WeakPolarHBondContact O-CB 3.48Å; G434-N449 PolarHBondContact O-ND2 3.08Å; L435-N449 WeakPolarHBondContact O-CB 3.19Å; L435-N449 PolarHBondContact O-N 3.43Å; Q437-N449 HydrophobicContact CB-CB 4.48Å; Q437-N449 HydrophobicContact CG-CB 4.43Å; Q447-N449 PolarHBondContact O-N 3.25Å; N449-D451 PolarHBondContact O-N 3.18Å; N449-D451 WeakPolarHBondContact OD1-CB 3.37Å; N449-D451 PolarHBondContact OD1-N 3.22Å; N449-S452 PolarHBondContact ND2-N 2.92Å; N449-S452 WeakPolarHBondContact O-CB 2.99Å; N449-S452 PolarHBondContact O-N 3.03Å; N449-S452 VanDerWaalsContact O-N 3.12Å; N449-S452 PolarHBondContact O-OG 3.34Å
450	P	83.9	Confident	74.6	Confident	48 Å²	48	65 Å²	65	31%	0.312	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-63.4	-31.5	174.2	-20	33.5	0	0	0	112.5	I448 S452 I573	I448-P450 WeakPolarHBondContact O-CD 3.49Å; P450-S452 PolarHBondContact O-N 3.42Å; P450-I573 HydrophobicContact CB-CG2 4.25Å; P450-I573 HydrophobicContact CG-CG2 4Å
451	D	82	Confident	76.7	Confident	58 Å²	58	60.6 Å²	60.6	31%	0.31	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-78.7	10.2	176.8	-65.2	-16.7	0	0	0	112.3	K61 N449 S453 I454 F535	K61-D451 IonicContact NZ-OD2 2.7Å; K61-D451 PolarHBondContact NZ-OD2 3.03Å; N449-D451 PolarHBondContact O-N 3.18Å; N449-D451 WeakPolarHBondContact OD1-CB 3.37Å; N449-D451 PolarHBondContact OD1-N 3.22Å; D451-S453 PolarHBondContact O-N 2.99Å; D451-S453 VanDerWaalsContact O-N 3.13Å; D451-I454 WeakPolarHBondContact O-CB 3.28Å; D451-I454 VanDerWaalsContact O-CG2 3.3Å; D451-I454 WeakPolarHBondContact O-CG2 3.12Å; D451-I454 PolarHBondContact O-N 3.22Å; D451-I454 VanDerWaalsContact O-N 3.14Å; D451-F535 WeakPolarHBondContact OD1-CZ 3.45Å
452	S	86	Confident	79.1	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-62.2	-19.3	-177.6	49.2	0	0	0	0	114.2	G434 N449 P450 I454 N455 H458 Q576	G434-S452 WeakPolarHBondContact O-CA 3.37Å; G434-S452 WeakPolarHBondContact O-CB 3.43Å; N449-S452 PolarHBondContact ND2-N 2.92Å; N449-S452 WeakPolarHBondContact O-CB 2.99Å; N449-S452 PolarHBondContact O-N 3.03Å; N449-S452 VanDerWaalsContact O-N 3.12Å; N449-S452 PolarHBondContact O-OG 3.34Å; P450-S452 PolarHBondContact O-N 3.42Å; S452-I454 PolarHBondContact O-N 3.45Å; S452-N455 PolarHBondContact O-N 2.92Å; S452-H458 VanDerWaalsContact O-CB 3.28Å; S452-H458 WeakPolarHBondContact O-CB 3.28Å; S452-H458 PolarHBondContact OG-ND1 3.29Å; S452-H458 VanDerWaalsContact OG-ND1 3.16Å; S452-Q576 WeakPolarHBondContact OG-CG 3.22Å; S452-Q576 PolarHBondContact OG-NE2 3.05Å
453	S	82.3	Confident	81.6	Confident	81 Å²	81	54 Å²	54	57%	0.566	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-62.4	-7.3	172.6	54.4	0	0	0	0	114.5	D451 N455	D451-S453 PolarHBondContact O-N 2.99Å; D451-S453 VanDerWaalsContact O-N 3.13Å; S453-N455 PolarHBondContact O-N 3.41Å
454	I	80.4	Confident	83.9	Confident	129 Å²	129	47.7 Å²	47.7	66%	0.662	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-59.6	-26.9	165.4	-163.4	168.3	0	0	0	112.5	D451 S452	D451-I454 WeakPolarHBondContact O-CB 3.28Å; D451-I454 VanDerWaalsContact O-CG2 3.3Å; D451-I454 WeakPolarHBondContact O-CG2 3.12Å; D451-I454 PolarHBondContact O-N 3.22Å; D451-I454 VanDerWaalsContact O-N 3.14Å; S452-I454 PolarHBondContact O-N 3.45Å
455	N	80	Confident	85.9	Confident	25 Å²	25	39 Å²	39	13%	0.134	22%	0.221	C	C	.	.	S	Bend	trans	-97	116.3	171.5	175.5	-7.1	0	0	0	108.1	Y433 S452 S453 D457 H458 Y461	Y433-N455 PolarHBondContact O-ND2 3.27Å; Y433-N455 VanDerWaalsContact O-ND2 3.12Å; S452-N455 PolarHBondContact O-N 2.92Å; S453-N455 PolarHBondContact O-N 3.41Å; N455-D457 PolarHBondContact O-N 2.66Å; N455-D457 PolarHBondContact OD1-N 3.3Å; N455-D457 VanDerWaalsContact OD1-N 3.14Å; N455-H458 HydrophobicContact CB-CB 4.18Å; N455-H458 VanDerWaalsContact O-CB 3.28Å; N455-H458 WeakPolarHBondContact O-CB 3.47Å; N455-H458 PolarHBondContact O-CD2 3.03Å; N455-H458 PolarHBondContact O-N 3.15Å; N455-H458 VanDerWaalsContact O-N 3.1Å; N455-Y461 WeakPolarHBondContact ND2-CD2 3.32Å; N455-Y461 WeakPolarHBondContact ND2-CE2 3.23Å
456	P	83.6	Confident	87.3	Confident	113 Å²	113	37.6 Å²	37.6	73%	0.734	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.1	-175.1	25.7	-34.6	0	0	0	112.6	H458	P456-H458 VanDerWaalsContact C-N 3.34Å
457	D	88	Confident	88.3	Confident	87 Å²	87	38.3 Å²	38.3	47%	0.465	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	8.2	-178.3	-64.4	-60.5	0	0	0	113.1	N455 L459 S460 Y461	N455-D457 PolarHBondContact O-N 2.66Å; N455-D457 PolarHBondContact OD1-N 3.3Å; N455-D457 VanDerWaalsContact OD1-N 3.14Å; D457-L459 VanDerWaalsContact C-N 3.26Å; D457-L459 PolarHBondContact O-N 2.89Å; D457-L459 VanDerWaalsContact O-N 3.1Å; D457-S460 WeakPolarHBondContact O-CA 3.19Å; D457-S460 WeakPolarHBondContact O-CB 3.34Å; D457-S460 PolarHBondContact O-N 2.74Å; D457-Y461 HydrophobicContact CB-CD2 4.06Å; D457-Y461 HydrophobicContact CB-CE2 3.71Å; D457-Y461 VanDerWaalsContact O-CD2 3.32Å; D457-Y461 WeakPolarHBondContact O-CD2 3.37Å; D457-Y461 PolarHBondContact O-N 3.12Å; D457-Y461 VanDerWaalsContact O-N 3.08Å
458	H	88.9	Confident	88.9	Confident	20 Å²	20	36.3 Å²	36.3	9%	0.093	21%	0.206	C	C	.	.	H	α-helix	trans	-51.9	-40.2	-173.4	75.3	128.6	0	0	0	113.6	L435 S452 N455 P456 S460 Y461 F462	L435-H458 HydrophobicContact CD2-CB 4.11Å; S452-H458 VanDerWaalsContact O-CB 3.28Å; S452-H458 WeakPolarHBondContact O-CB 3.28Å; S452-H458 PolarHBondContact OG-ND1 3.29Å; S452-H458 VanDerWaalsContact OG-ND1 3.16Å; N455-H458 HydrophobicContact CB-CB 4.18Å; N455-H458 VanDerWaalsContact O-CB 3.28Å; N455-H458 WeakPolarHBondContact O-CB 3.47Å; N455-H458 PolarHBondContact O-CD2 3.03Å; N455-H458 PolarHBondContact O-N 3.15Å; N455-H458 VanDerWaalsContact O-N 3.1Å; P456-H458 VanDerWaalsContact C-N 3.34Å; H458-S460 VanDerWaalsContact C-N 3.31Å; H458-S460 PolarHBondContact O-N 2.97Å; H458-Y461 PolarHBondContact O-N 3.37Å; H458-F462 HydrophobicContact CB-CD2 4.44Å; H458-F462 HydrophobicContact CB-CE2 4.17Å; H458-F462 AromaticContact ND1-CE2 3.89Å; H458-F462 WeakPolarHBondContact O-CD2 3.3Å; H458-F462 PolarHBondContact O-N 2.82Å
459	L	93.3	Very high	89.1	Confident	71 Å²	71	36 Å²	36	37%	0.372	20%	0.204	S	C	.	.	H	α-helix	trans	-62.7	-36.7	177.2	-58.9	-176.2	0	0	0	112.7	D457 F462 H463 A575 Q576 A579	D457-L459 VanDerWaalsContact C-N 3.26Å; D457-L459 PolarHBondContact O-N 2.89Å; D457-L459 VanDerWaalsContact O-N 3.1Å; L459-F462 PolarHBondContact O-N 2.71Å; L459-H463 PolarHBondContact O-N 2.82Å; L459-A575 HydrophobicContact CD1-CB 4.48Å; L459-A575 HydrophobicContact CD2-CB 3.78Å; L459-Q576 HydrophobicContact CD2-CG 4.19Å; L459-A579 WeakPolarHBondContact O-CB 3.47Å
460	S	94.3	Very high	89.3	Confident	36 Å²	36	35 Å²	35	25%	0.252	20%	0.199	S	C	.	.	H	α-helix	trans	-69.9	-40.4	175.6	-167.7	0	0	0	0	110.9	Y386 M390 D457 H458 F462 H463 F464	Y386-S460 VanDerWaalsContact OH-CB 3.3Å; Y386-S460 WeakPolarHBondContact OH-CB 3.37Å; Y386-S460 PolarHBondContact OH-OG 3.41Å; M390-S460 WeakPolarHBondContact CE-OG 3.19Å; D457-S460 WeakPolarHBondContact O-CA 3.19Å; D457-S460 WeakPolarHBondContact O-CB 3.34Å; D457-S460 PolarHBondContact O-N 2.74Å; H458-S460 VanDerWaalsContact C-N 3.31Å; H458-S460 PolarHBondContact O-N 2.97Å; S460-F462 PolarHBondContact O-N 3.42Å; S460-H463 PolarHBondContact O-N 3.3Å; S460-F464 WeakPolarHBondContact O-CB 3.46Å; S460-F464 PolarHBondContact O-N 2.92Å
461	Y	93.5	Very high	89.7	Confident	22 Å²	22	32.9 Å²	32.9	9%	0.086	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-38.4	171.7	-68.8	-66.9	0	0	0	112.5	F382 E383 Y386 L435 N455 D457 H458 F464 V465	F382-Y461 HydrophobicContact CD1-CE1 4.4Å; F382-Y461 AromaticContact CE1-CD1 3.55Å; F382-Y461 HydrophobicContact CE1-CD1 3.55Å; F382-Y461 AromaticContact CE1-CE1 3.57Å; F382-Y461 HydrophobicContact CE1-CE1 3.57Å; F382-Y461 AromaticContact CZ-CD1 3.87Å; F382-Y461 HydrophobicContact CZ-CD1 3.87Å; F382-Y461 HydrophobicContact CZ-CE1 4.35Å; E383-Y461 PolarHBondContact OE1-OH 2.95Å; Y386-Y461 AromaticContact CD1-CE1 3.89Å; Y386-Y461 HydrophobicContact CD1-CE1 3.89Å; Y386-Y461 AromaticContact CD2-CD1 3.92Å; Y386-Y461 HydrophobicContact CD2-CD1 3.92Å; Y386-Y461 HydrophobicContact CD2-CE1 4.07Å; Y386-Y461 HydrophobicContact CE1-CE1 4.02Å; Y386-Y461 HydrophobicContact CE2-CD1 4.01Å; Y386-Y461 HydrophobicContact CE2-CE1 4.19Å; Y386-Y461 HydrophobicContact CG-CD1 4.22Å; Y386-Y461 AromaticContact CG-CE1 3.94Å; Y386-Y461 HydrophobicContact CG-CE1 3.94Å; L435-Y461 HydrophobicContact CD1-CG 4.4Å; L435-Y461 HydrophobicContact CD2-CG 4.44Å; N455-Y461 WeakPolarHBondContact ND2-CD2 3.32Å; N455-Y461 WeakPolarHBondContact ND2-CE2 3.23Å; D457-Y461 HydrophobicContact CB-CD2 4.06Å; D457-Y461 HydrophobicContact CB-CE2 3.71Å; D457-Y461 VanDerWaalsContact O-CD2 3.32Å; D457-Y461 WeakPolarHBondContact O-CD2 3.37Å; D457-Y461 PolarHBondContact O-N 3.12Å; D457-Y461 VanDerWaalsContact O-N 3.08Å; H458-Y461 PolarHBondContact O-N 3.37Å; Y461-F464 WeakPolarHBondContact O-CB 3.29Å; Y461-F464 PolarHBondContact O-N 3.14Å; Y461-V465 VanDerWaalsContact O-CG2 3.28Å; Y461-V465 WeakPolarHBondContact O-CG2 3.44Å; Y461-V465 PolarHBondContact O-N 3.43Å
462	F	94.7	Very high	90	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.7	-39.5	172.9	-75	-65.1	0	0	0	112.3	L435 F436 I448 H458 L459 S460 F464 V465 G466 Q576 A579 L580	L435-F462 HydrophobicContact CB-CE1 4.15Å; L435-F462 HydrophobicContact CB-CZ 3.93Å; L435-F462 HydrophobicContact CD2-CD2 4.46Å; L435-F462 HydrophobicContact CD2-CE2 3.95Å; L435-F462 HydrophobicContact CD2-CZ 4.07Å; L435-F462 VanDerWaalsContact O-CZ 3.31Å; L435-F462 WeakPolarHBondContact O-CZ 3.28Å; F436-F462 HydrophobicContact CE1-CE1 4.24Å; F436-F462 HydrophobicContact CE2-CE1 4.21Å; F436-F462 HydrophobicContact CZ-CD1 4.3Å; F436-F462 AromaticContact CZ-CE1 3.89Å; F436-F462 HydrophobicContact CZ-CE1 3.89Å; I448-F462 HydrophobicContact CD1-CE1 4.44Å; I448-F462 HydrophobicContact CG1-CE1 4.13Å; I448-F462 HydrophobicContact CG2-CE1 3.96Å; I448-F462 HydrophobicContact CG2-CZ 3.73Å; H458-F462 HydrophobicContact CB-CD2 4.44Å; H458-F462 HydrophobicContact CB-CE2 4.17Å; H458-F462 AromaticContact ND1-CE2 3.89Å; H458-F462 WeakPolarHBondContact O-CD2 3.3Å; H458-F462 PolarHBondContact O-N 2.82Å; L459-F462 PolarHBondContact O-N 2.71Å; S460-F462 PolarHBondContact O-N 3.42Å; F462-F464 VanDerWaalsContact C-N 3.33Å; F462-F464 PolarHBondContact O-N 2.88Å; F462-V465 PolarHBondContact O-N 3.4Å; F462-G466 PolarHBondContact O-N 3.08Å; F462-Q576 WeakPolarHBondContact CB-O 3.15Å; F462-Q576 HydrophobicContact CD1-CB 4.35Å; F462-Q576 HydrophobicContact CD2-CB 3.5Å; F462-Q576 VanDerWaalsContact CD2-CB 3.5Å; F462-Q576 HydrophobicContact CD2-CG 3.55Å; F462-Q576 HydrophobicContact CE1-CB 4.38Å; F462-Q576 HydrophobicContact CE2-CB 3.57Å; F462-Q576 HydrophobicContact CE2-CG 3.29Å; F462-Q576 HydrophobicContact CG-CB 3.95Å; F462-Q576 HydrophobicContact CG-CG 4.47Å; F462-Q576 HydrophobicContact CZ-CB 4.02Å; F462-Q576 HydrophobicContact CZ-CG 4Å; F462-A579 HydrophobicContact CB-CB 4.04Å; F462-L580 HydrophobicContact CB-CB 4.32Å; F462-L580 HydrophobicContact CD1-CD1 4.34Å; F462-L580 VanDerWaalsContact O-CA 3.28Å; F462-L580 WeakPolarHBondContact O-CA 3.33Å
463	H	95.3	Very high	90.1	Very high	26 Å²	26	30.5 Å²	30.5	12%	0.12	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-42	173.6	-174.1	-142.4	0	0	0	111.9	M390 L459 S460 G466 R467 A579 G583 E586	M390-H463 HydrophobicContact CE-CB 4.14Å; M390-H463 VanDerWaalsContact CE-ND1 3.32Å; M390-H463 WeakPolarHBondContact CE-ND1 3.37Å; L459-H463 PolarHBondContact O-N 2.82Å; S460-H463 PolarHBondContact O-N 3.3Å; H463-G466 PolarHBondContact O-N 2.97Å; H463-R467 PolarHBondContact O-N 3.32Å; H463-A579 WeakPolarHBondContact CA-O 3.45Å; H463-A579 HydrophobicContact CB-CB 4.41Å; H463-A579 PolarHBondContact CD2-O 3.11Å; H463-G583 WeakPolarHBondContact CD2-CA 3.41Å; H463-G583 PolarHBondContact CD2-N 3.37Å; H463-E586 IonicContact CD2-OE1 2.79Å; H463-E586 IonicContact CE1-OE1 3.5Å; H463-E586 PolarHBondContact CE1-OE1 3.43Å; H463-E586 IonicContact CE1-OE2 3.96Å; H463-E586 IonicContact NE2-OE1 3.16Å; H463-E586 PolarHBondContact NE2-OE1 3.22Å; H463-E586 IonicContact NE2-OE2 3.32Å
464	F	95	Very high	90.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-49.5	171.2	165.6	-114.5	0	0	0	112.7	F382 Y386 I389 M390 L424 S460 Y461 F462 G466 R467 V468	F382-F464 HydrophobicContact CD2-CE1 4.28Å; F382-F464 HydrophobicContact CE2-CD1 4.49Å; F382-F464 AromaticContact CE2-CE1 3.9Å; F382-F464 HydrophobicContact CE2-CE1 3.9Å; F382-F464 HydrophobicContact CZ-CD1 4.41Å; F382-F464 HydrophobicContact CZ-CE1 4.17Å; Y386-F464 VanDerWaalsContact CA-CE2 3.49Å; Y386-F464 HydrophobicContact CD2-CB 3.7Å; Y386-F464 HydrophobicContact CD2-CD1 4.03Å; Y386-F464 HydrophobicContact CD2-CD2 4.21Å; Y386-F464 AromaticContact CD2-CG 3.73Å; Y386-F464 HydrophobicContact CD2-CG 3.73Å; Y386-F464 HydrophobicContact CE2-CB 4.13Å; I389-F464 HydrophobicContact CB-CD2 3.98Å; I389-F464 HydrophobicContact CB-CE2 3.84Å; I389-F464 HydrophobicContact CD1-CE2 3.88Å; I389-F464 HydrophobicContact CG1-CE2 4.37Å; I389-F464 HydrophobicContact CG2-CD2 3.84Å; I389-F464 HydrophobicContact CG2-CE2 4.08Å; M390-F464 HydrophobicContact CG-CB 4.1Å; M390-F464 HydrophobicContact CG-CD2 4.44Å; M390-F464 HydrophobicContact SD-CB 3.74Å; L424-F464 HydrophobicContact CD1-CE1 4.24Å; L424-F464 HydrophobicContact CD1-CZ 3.95Å; L424-F464 HydrophobicContact CD2-CZ 3.95Å; L424-F464 HydrophobicContact CG-CZ 4.43Å; S460-F464 WeakPolarHBondContact O-CB 3.46Å; S460-F464 PolarHBondContact O-N 2.92Å; Y461-F464 WeakPolarHBondContact O-CB 3.29Å; Y461-F464 PolarHBondContact O-N 3.14Å; F462-F464 VanDerWaalsContact C-N 3.33Å; F462-F464 PolarHBondContact O-N 2.88Å; F464-G466 VanDerWaalsContact C-N 3.26Å; F464-G466 PolarHBondContact O-N 3.03Å; F464-R467 CarbonylContact O-C 3.58Å; F464-R467 WeakPolarHBondContact O-CA 3.35Å; F464-R467 WeakPolarHBondContact O-CB 3.32Å; F464-R467 PolarHBondContact O-N 3.22Å; F464-V468 HydrophobicContact CD2-CG2 3.99Å; F464-V468 HydrophobicContact CE1-CG2 4.25Å; F464-V468 HydrophobicContact CE2-CG2 3.57Å; F464-V468 HydrophobicContact CG-CG2 4.5Å; F464-V468 HydrophobicContact CZ-CG2 3.73Å; F464-V468 WeakPolarHBondContact O-CG2 3.35Å; F464-V468 PolarHBondContact O-N 2.91Å
465	V	92.7	Very high	90.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56	-43.1	175.6	165.4	0	0	0	0	111	M428 F436 Y461 F462 R467 V468 M469 L580	M428-V465 HydrophobicContact CE-CB 4.27Å; M428-V465 HydrophobicContact CE-CG1 3.62Å; M428-V465 HydrophobicContact CE-CG2 3.94Å; M428-V465 HydrophobicContact CG-CG2 4.11Å; M428-V465 HydrophobicContact SD-CG2 4.39Å; F436-V465 HydrophobicContact CE2-CG1 4.34Å; F436-V465 HydrophobicContact CE2-CG2 4.32Å; F436-V465 HydrophobicContact CZ-CG1 4.07Å; Y461-V465 VanDerWaalsContact O-CG2 3.28Å; Y461-V465 WeakPolarHBondContact O-CG2 3.44Å; Y461-V465 PolarHBondContact O-N 3.43Å; F462-V465 PolarHBondContact O-N 3.4Å; V465-R467 VanDerWaalsContact C-N 3.35Å; V465-R467 PolarHBondContact O-N 2.84Å; V465-V468 PolarHBondContact O-N 2.99Å; V465-M469 HydrophobicContact CG1-CG 4.46Å; V465-M469 HydrophobicContact CG1-SD 4.15Å; V465-M469 WeakPolarHBondContact O-CG 3.24Å; V465-M469 PolarHBondContact O-N 3.1Å; V465-L580 HydrophobicContact CG1-CD1 3.76Å; V465-L580 HydrophobicContact CG1-CG 4.34Å
466	G	93.3	Very high	90.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.6	-46.1	173.2	0	0	0	0	0	112.7	F462 H463 F464 M469 G470 L580 G583 F584	F462-G466 PolarHBondContact O-N 3.08Å; H463-G466 PolarHBondContact O-N 2.97Å; F464-G466 VanDerWaalsContact C-N 3.26Å; F464-G466 PolarHBondContact O-N 3.03Å; G466-M469 PolarHBondContact O-N 3.13Å; G466-G470 PolarHBondContact O-N 3.12Å; G466-L580 VanDerWaalsContact CA-O 3.27Å; G466-L580 WeakPolarHBondContact CA-O 3.16Å; G466-G583 CarbonylContact O-C 3.51Å; G466-F584 WeakPolarHBondContact O-CA 3.37Å; G466-F584 PolarHBondContact O-N 2.95Å
467	R	94.1	Very high	90.9	Very high	20 Å²	20	18.5 Å²	18.5	8%	0.075	10%	0.098	C	C	.	.	H	α-helix	trans	-63.5	-41	174.7	-74.5	-177.3	168.5	-175.5	5.2	112.4	I389 M390 M392 H463 F464 V465 G470 L471 E586 L587	I389-R467 HydrophobicContact CG2-CB 3.88Å; I389-R467 PolarHBondContact O-NH1 2.84Å; M390-R467 PolarHBondContact O-NH1 3.04Å; M392-R467 PolarHBondContact O-NH1 3.18Å; H463-R467 PolarHBondContact O-N 3.32Å; F464-R467 CarbonylContact O-C 3.58Å; F464-R467 WeakPolarHBondContact O-CA 3.35Å; F464-R467 WeakPolarHBondContact O-CB 3.32Å; F464-R467 PolarHBondContact O-N 3.22Å; V465-R467 VanDerWaalsContact C-N 3.35Å; V465-R467 PolarHBondContact O-N 2.84Å; R467-G470 PolarHBondContact O-N 2.97Å; R467-L471 VanDerWaalsContact O-CB 3.23Å; R467-L471 WeakPolarHBondContact O-CB 3.24Å; R467-L471 PolarHBondContact O-N 3.41Å; R467-E586 IonicContact CZ-OE2 3.38Å; R467-E586 IonicContact NE-OE2 3.29Å; R467-E586 PolarHBondContact NE-OE2 2.85Å; R467-E586 IonicContact NH2-OE2 2.74Å; R467-E586 PolarHBondContact NH2-OE2 3.41Å; R467-L587 WeakPolarHBondContact O-CD1 3.32Å
468	V	92.4	Very high	90.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.9	-44	176.7	173.8	0	0	0	0	110.8	I389 L421 L424 M428 F464 V465 L471 A472	I389-V468 HydrophobicContact CD1-CG2 4.25Å; L421-V468 HydrophobicContact CD2-CG1 3.8Å; L424-V468 HydrophobicContact CD2-CB 4.49Å; L424-V468 HydrophobicContact CD2-CG1 3.87Å; L424-V468 HydrophobicContact CD2-CG2 3.72Å; M428-V468 HydrophobicContact SD-CG1 4.1Å; F464-V468 HydrophobicContact CD2-CG2 3.99Å; F464-V468 HydrophobicContact CE1-CG2 4.25Å; F464-V468 HydrophobicContact CE2-CG2 3.57Å; F464-V468 HydrophobicContact CG-CG2 4.5Å; F464-V468 HydrophobicContact CZ-CG2 3.73Å; F464-V468 WeakPolarHBondContact O-CG2 3.35Å; F464-V468 PolarHBondContact O-N 2.91Å; V465-V468 PolarHBondContact O-N 2.99Å; V468-L471 PolarHBondContact O-N 3.01Å; V468-A472 PolarHBondContact O-N 3.29Å
469	M	91	Very high	90.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.7	-44.4	173.4	-71.5	179	73.5	0	0	112.6	V465 G466 L471 A472 V473 I479 F483 F487 L491 L580 F584 I605	V465-M469 HydrophobicContact CG1-CG 4.46Å; V465-M469 HydrophobicContact CG1-SD 4.15Å; V465-M469 WeakPolarHBondContact O-CG 3.24Å; V465-M469 PolarHBondContact O-N 3.1Å; G466-M469 PolarHBondContact O-N 3.13Å; M469-L471 VanDerWaalsContact C-N 3.33Å; M469-L471 PolarHBondContact O-N 3.38Å; M469-A472 PolarHBondContact O-N 3.03Å; M469-V473 WeakPolarHBondContact O-CG2 3.38Å; M469-V473 PolarHBondContact O-N 3.32Å; M469-V473 VanDerWaalsContact O-N 3.16Å; M469-I479 HydrophobicContact CB-CD1 4.16Å; M469-I479 HydrophobicContact CG-CD1 3.74Å; M469-F483 HydrophobicContact CE-CD2 4.43Å; M469-F483 HydrophobicContact CE-CE2 3.99Å; M469-F483 HydrophobicContact SD-CE2 4.33Å; M469-F483 HydrophobicContact SD-CZ 4.35Å; M469-F487 HydrophobicContact CE-CE1 3.64Å; M469-F487 HydrophobicContact CE-CZ 3.91Å; M469-F487 HydrophobicContact SD-CE1 4.39Å; M469-F487 HydrophobicContact SD-CZ 4.07Å; M469-L491 HydrophobicContact CE-CD2 4.21Å; M469-L580 HydrophobicContact SD-CD1 4.34Å; M469-L580 HydrophobicContact SD-CD2 4.09Å; M469-L580 HydrophobicContact SD-CG 4.47Å; M469-F584 HydrophobicContact CB-CD2 3.73Å; M469-F584 HydrophobicContact CB-CE2 4.11Å; M469-I605 HydrophobicContact CE-CD1 4Å; M469-I605 HydrophobicContact CE-CG2 4.37Å
470	G	91.4	Very high	89.1	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.2	-37.9	177.3	0	0	0	0	0	112.1	G466 R467 F474	G466-G470 PolarHBondContact O-N 3.12Å; R467-G470 PolarHBondContact O-N 2.97Å; G470-F474 VanDerWaalsContact O-CB 3.22Å; G470-F474 WeakPolarHBondContact O-CB 3.37Å; G470-F474 PolarHBondContact O-N 3.46Å
471	L	91.3	Very high	87.6	Confident	2 Å²	2	12 Å²	12	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-66.8	-42.4	178.3	-172.3	73.4	0	0	0	111.5	I389 L397 L401 W420 R467 V468 M469 F474 H475 L587	I389-L471 HydrophobicContact CD1-CD2 4.47Å; L397-L471 HydrophobicContact CB-CD1 4.35Å; L397-L471 WeakPolarHBondContact O-CD1 3.35Å; L401-L471 HydrophobicContact CD1-CD2 4.39Å; L401-L471 HydrophobicContact CD2-CD2 4.21Å; L401-L471 HydrophobicContact CD2-CG 4.46Å; W420-L471 HydrophobicContact CH2-CD2 3.71Å; W420-L471 HydrophobicContact CZ3-CD2 3.79Å; R467-L471 VanDerWaalsContact O-CB 3.23Å; R467-L471 WeakPolarHBondContact O-CB 3.24Å; R467-L471 PolarHBondContact O-N 3.41Å; V468-L471 PolarHBondContact O-N 3.01Å; M469-L471 VanDerWaalsContact C-N 3.33Å; M469-L471 PolarHBondContact O-N 3.38Å; L471-F474 PolarHBondContact O-N 3.48Å; L471-H475 VanDerWaalsContact CD1-CD2 3.43Å; L471-H475 WeakPolarHBondContact CD1-CD2 3.12Å; L471-H475 WeakPolarHBondContact CD1-NE2 3.37Å; L471-H475 PolarHBondContact O-CD2 3.05Å; L471-H475 VanDerWaalsContact O-CD2 3.32Å; L471-H475 PolarHBondContact O-N 2.79Å; L471-L587 HydrophobicContact CB-CD1 3.98Å
472	A	88.8	Confident	86.4	Confident	1 Å²	1	13 Å²	13	1%	0.008	7%	0.072	C	C	.	.	H	α-helix	trans	-60.7	-50.5	175.8	0	0	0	0	0	111.3	L421 V468 M469 F474 H475 S476 H477 I479	L421-A472 HydrophobicContact CD1-CB 4.06Å; L421-A472 HydrophobicContact CD2-CB 4.47Å; V468-A472 PolarHBondContact O-N 3.29Å; M469-A472 PolarHBondContact O-N 3.03Å; A472-F474 VanDerWaalsContact C-N 3.34Å; A472-F474 PolarHBondContact O-N 3.17Å; A472-H475 PolarHBondContact O-N 3.11Å; A472-S476 PolarHBondContact O-N 2.95Å; A472-S476 VanDerWaalsContact O-N 3.1Å; A472-H477 CarbonylContact C-O 3.6Å; A472-H477 HydrophobicContact CB-CB 4.5Å; A472-H477 PolarHBondContact O-N 3.45Å; A472-I479 HydrophobicContact CB-CD1 3.68Å; A472-I479 HydrophobicContact CB-CG1 3.67Å
473	V	88.9	Confident	85.6	Confident	7 Å²	7	13.3 Å²	13.3	4%	0.042	7%	0.073	C	C	.	.	H	α-helix	trans	-61.4	-42	176.4	176.8	0	0	0	0	111.4	M469 S476 F584 I588 I604 I605	M469-V473 WeakPolarHBondContact O-CG2 3.38Å; M469-V473 PolarHBondContact O-N 3.32Å; M469-V473 VanDerWaalsContact O-N 3.16Å; V473-S476 PolarHBondContact O-N 3.41Å; V473-F584 HydrophobicContact CG2-CE2 4.17Å; V473-F584 HydrophobicContact CG2-CZ 4.49Å; V473-I588 HydrophobicContact CB-CD1 4.09Å; V473-I588 HydrophobicContact CB-CG1 4.14Å; V473-I588 HydrophobicContact CG1-CD1 3.84Å; V473-I588 HydrophobicContact CG1-CG1 4.07Å; V473-I604 HydrophobicContact CG1-CG2 4.03Å; V473-I604 HydrophobicContact CG2-CG2 4.26Å; V473-I605 HydrophobicContact CG2-CG1 3.75Å
474	F	89.9	Confident	84.6	Confident	10 Å²	10	12.8 Å²	12.8	4%	0.044	7%	0.072	C	C	.	.	H	α-helix	trans	-61	-48.4	-179	-168.2	-84.1	0	0	0	112.2	L362 Q365 Q366 K398 G470 L471 A472 S476 I588	L362-F474 HydrophobicContact CB-CD2 4.41Å; L362-F474 HydrophobicContact CB-CE2 4.27Å; L362-F474 HydrophobicContact CD2-CD2 3.81Å; L362-F474 HydrophobicContact CD2-CE2 4.01Å; L362-F474 WeakPolarHBondContact O-CZ 2.98Å; Q365-F474 HydrophobicContact CB-CE2 4.42Å; Q366-F474 HydrophobicContact CB-CE1 4.15Å; Q366-F474 HydrophobicContact CB-CZ 4.09Å; Q366-F474 HydrophobicContact CG-CE1 4.49Å; K398-F474 HydrophobicContact CB-CE1 4.06Å; K398-F474 HydrophobicContact CB-CE2 4.25Å; K398-F474 HydrophobicContact CB-CZ 3.78Å; K398-F474 HydrophobicContact CD-CD2 4.37Å; K398-F474 HydrophobicContact CD-CE2 3.65Å; K398-F474 HydrophobicContact CD-CZ 3.97Å; K398-F474 HydrophobicContact CG-CD2 4.11Å; K398-F474 HydrophobicContact CG-CE1 4.25Å; K398-F474 HydrophobicContact CG-CE2 3.67Å; K398-F474 HydrophobicContact CG-CZ 3.74Å; K398-F474 WeakPolarHBondContact O-CE1 3.47Å; G470-F474 VanDerWaalsContact O-CB 3.22Å; G470-F474 WeakPolarHBondContact O-CB 3.37Å; G470-F474 PolarHBondContact O-N 3.46Å; L471-F474 PolarHBondContact O-N 3.48Å; A472-F474 VanDerWaalsContact C-N 3.34Å; A472-F474 PolarHBondContact O-N 3.17Å; F474-S476 VanDerWaalsContact C-N 3.29Å; F474-S476 PolarHBondContact O-N 3.2Å; F474-I588 HydrophobicContact CB-CD1 3.95Å; F474-I588 HydrophobicContact CD2-CD1 4.18Å
475	H	85.9	Confident	83.6	Confident	30 Å²	30	15.1 Å²	15.1	14%	0.139	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	9.3	-179.3	-64.6	-69.9	0	0	0	113.7	L397 K399 L471 A472 H477	L397-H475 PolarHBondContact O-NE2 3.24Å; K399-H475 PolarHBondContact O-CE1 3.36Å; L471-H475 VanDerWaalsContact CD1-CD2 3.43Å; L471-H475 WeakPolarHBondContact CD1-CD2 3.12Å; L471-H475 WeakPolarHBondContact CD1-NE2 3.37Å; L471-H475 PolarHBondContact O-CD2 3.05Å; L471-H475 VanDerWaalsContact O-CD2 3.32Å; L471-H475 PolarHBondContact O-N 2.79Å; A472-H475 PolarHBondContact O-N 3.11Å; H475-H477 PolarHBondContact O-CE1 2.72Å; H475-H477 PolarHBondContact O-N 2.8Å; H475-H477 PolarHBondContact O-ND1 3.46Å
476	S	83.7	Confident	82.9	Confident	33 Å²	33	15.2 Å²	15.2	23%	0.231	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	47.8	-176	-70.7	0	0	0	0	113.4	R359 A472 V473 F474	R359-S476 PolarHBondContact NE-OG 3.2Å; A472-S476 PolarHBondContact O-N 2.95Å; A472-S476 VanDerWaalsContact O-N 3.1Å; V473-S476 PolarHBondContact O-N 3.41Å; F474-S476 VanDerWaalsContact C-N 3.29Å; F474-S476 PolarHBondContact O-N 3.2Å
477	H	83.6	Confident	82.5	Confident	24 Å²	24	15.5 Å²	15.5	11%	0.111	9%	0.085	C	C	.	.			trans	-107.8	155	170.1	-61.4	-21.3	0	0	0	110.4	L421 A472 H475	L421-H477 HydrophobicContact CD1-CB 3.37Å; A472-H477 CarbonylContact C-O 3.6Å; A472-H477 HydrophobicContact CB-CB 4.5Å; A472-H477 PolarHBondContact O-N 3.45Å; H475-H477 PolarHBondContact O-CE1 2.72Å; H475-H477 PolarHBondContact O-N 2.8Å; H475-H477 PolarHBondContact O-ND1 3.46Å
478	Y	82	Confident	82.1	Confident	34 Å²	34	14.6 Å²	14.6	13%	0.133	8%	0.082	C	C	.	.			trans	-105.1	139.9	-177	-56.9	-63.1	0	0	0	111	I605 R659 P661	Y478-I605 WeakPolarHBondContact CA-O 3.42Å; Y478-R659 HydrophobicContact CD2-CB 4.12Å; Y478-R659 HydrophobicContact CG-CB 4.18Å; Y478-P661 HydrophobicContact CE2-CG 4.33Å; Y478-P661 WeakPolarHBondContact OH-CA 3.27Å
479	I	80.4	Confident	81.7	Confident	2 Å²	2	15.7 Å²	15.7	1%	0.01	9%	0.087	C	C	.	.			trans	-95.2	131.6	177.5	-79.6	-179.1	0	0	0	109.4	M469 A472 G481 I605	M469-I479 HydrophobicContact CB-CD1 4.16Å; M469-I479 HydrophobicContact CG-CD1 3.74Å; A472-I479 HydrophobicContact CB-CD1 3.68Å; A472-I479 HydrophobicContact CB-CG1 3.67Å; I479-G481 PolarHBondContact O-N 3.4Å; I479-G481 VanDerWaalsContact O-N 3.11Å; I479-I605 HydrophobicContact CB-CG2 4.1Å; I479-I605 HydrophobicContact CG2-CG2 4.43Å; I479-I605 PolarHBondContact N-O 2.87Å
480	N	68.4	Low	81.5	Confident	31 Å²	31	16.7 Å²	16.7	17%	0.166	9%	0.091	C	C	.	.	S	Bend	trans	-85.9	79.7	175.6	-161.4	42.8	0	0	0	111	Y422 H426 R659	Y422-N480 HydrophobicContact CD2-CB 4.04Å; Y422-N480 HydrophobicContact CE2-CB 4.24Å; H426-N480 PolarHBondContact CE1-ND2 3.07Å; H426-N480 PolarHBondContact NE2-ND2 3.26Å; H426-N480 VanDerWaalsContact NE2-ND2 3.17Å; N480-R659 PolarHBondContact OD1-NE 3.29Å; N480-R659 PolarHBondContact OD1-NH2 3.1Å
481	G	64.2	Low	81.3	Confident	10 Å²	10	16.8 Å²	16.8	10%	0.103	9%	0.092	C	C	.	.			trans	-170.6	122.7	174	0	0	0	0	0	111.6	I479	I479-G481 PolarHBondContact O-N 3.4Å; I479-G481 VanDerWaalsContact O-N 3.11Å
482	S	67.3	Low	81	Confident	44 Å²	44	17.7 Å²	17.7	31%	0.308	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	104	173.1	-68.3	0	0	0	0	109.3	T445 L446	T445-S482 CarbonylContact C-O 3.52Å; T445-S482 WeakPolarHBondContact CA-O 3.44Å; L446-S482 PolarHBondContact N-O 2.79Å
483	F	78.3	Confident	80.7	Confident	5 Å²	5	20.3 Å²	20.3	2%	0.022	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	161.1	168.5	-58.2	-79.5	0	0	0	110.7	F436 L446 M469 F487 Y488	F436-F483 HydrophobicContact CD1-CE1 4.25Å; F436-F483 HydrophobicContact CE1-CD1 4.38Å; F436-F483 AromaticContact CE1-CE1 3.74Å; F436-F483 HydrophobicContact CE1-CE1 3.74Å; F436-F483 HydrophobicContact CZ-CE1 4.13Å; L446-F483 HydrophobicContact CB-CD1 4.16Å; L446-F483 WeakPolarHBondContact O-CA 3.42Å; M469-F483 HydrophobicContact CE-CD2 4.43Å; M469-F483 HydrophobicContact CE-CE2 3.99Å; M469-F483 HydrophobicContact SD-CE2 4.33Å; M469-F483 HydrophobicContact SD-CZ 4.35Å; F483-F487 HydrophobicContact CB-CB 4.05Å; F483-F487 HydrophobicContact CB-CD1 3.35Å; F483-F487 HydrophobicContact CB-CE1 3.87Å; F483-F487 HydrophobicContact CB-CG 3.82Å; F483-F487 HydrophobicContact CD1-CD1 4.13Å; F483-F487 AromaticContact CD1-CE1 3.93Å; F483-F487 HydrophobicContact CD1-CE1 3.93Å; F483-F487 HydrophobicContact CD1-CE2 4.39Å; F483-F487 HydrophobicContact CD1-CG 4.43Å; F483-F487 HydrophobicContact CD1-CZ 4.07Å; F483-F487 HydrophobicContact CD2-CD1 4.07Å; F483-F487 AromaticContact CD2-CE1 3.69Å; F483-F487 HydrophobicContact CD2-CE1 3.69Å; F483-F487 HydrophobicContact CD2-CZ 4.43Å; F483-F487 HydrophobicContact CE1-CE1 4.41Å; F483-F487 HydrophobicContact CE1-CZ 4.27Å; F483-F487 HydrophobicContact CE2-CE1 4.21Å; F483-F487 AromaticContact CG-CD1 3.58Å; F483-F487 HydrophobicContact CG-CD1 3.58Å; F483-F487 AromaticContact CG-CE1 3.53Å; F483-F487 HydrophobicContact CG-CE1 3.53Å; F483-F487 HydrophobicContact CG-CG 4.22Å; F483-F487 HydrophobicContact CG-CZ 4.15Å; F483-Y488 HydrophobicContact CB-CE1 4.35Å; F483-Y488 HydrophobicContact CB-CE2 4.09Å; F483-Y488 HydrophobicContact CD2-CE1 4.18Å; F483-Y488 PolarHBondContact N-OH 3.21Å; F483-Y488 WeakPolarHBondContact O-CE2 3.38Å
484	T	74.8	Confident	80.5	Confident	16 Å²	16	23.6 Å²	23.6	10%	0.098	14%	0.137	C	C	.	.			trans	-67.6	150.9	175.8	61.5	0	0	0	0	111.8	L446 Q447 P486 F487	L446-T484 PolarHBondContact O-N 3.45Å; Q447-T484 HydrophobicContact CB-CG2 4.47Å; T484-P486 VanDerWaalsContact C-CD 3.47Å; T484-P486 VanDerWaalsContact C-N 3.34Å; T484-F487 VanDerWaalsContact O-CB 3.27Å; T484-F487 WeakPolarHBondContact O-CB 3.15Å; T484-F487 PolarHBondContact O-N 2.89Å
485	L	72.8	Confident	79.9	Confident	49 Å²	49	27.7 Å²	27.7	26%	0.257	17%	0.165	S	C	.	.	H	α-helix	trans	-53.5	-39.1	178.4	-62.8	171	0	0	0	114.4	F487 Y488 K489	L485-F487 VanDerWaalsContact C-N 3.27Å; L485-F487 PolarHBondContact O-N 3.48Å; L485-Y488 PolarHBondContact O-N 3.38Å; L485-K489 PolarHBondContact O-N 2.87Å; L485-K489 VanDerWaalsContact O-N 3.16Å
486	P	78.8	Confident	79.7	Confident	1 Å²	1	27 Å²	27	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-51.5	-39.5	169.6	-29.4	33.5	0	0	0	114.7	T484 K489 Q490 I496 D500 F569	T484-P486 VanDerWaalsContact C-CD 3.47Å; T484-P486 VanDerWaalsContact C-N 3.34Å; P486-K489 WeakPolarHBondContact O-CB 3.38Å; P486-K489 PolarHBondContact O-N 3.43Å; P486-Q490 VanDerWaalsContact O-CG 3.3Å; P486-Q490 WeakPolarHBondContact O-CG 3.28Å; P486-Q490 PolarHBondContact O-N 3.38Å; P486-I496 HydrophobicContact CB-CD1 4.46Å; P486-I496 HydrophobicContact CB-CG2 4.49Å; P486-D500 HydrophobicContact CG-CB 4.13Å; P486-F569 HydrophobicContact CB-CD1 3.9Å; P486-F569 HydrophobicContact CB-CE1 3.9Å; P486-F569 HydrophobicContact CB-CG 4.37Å; P486-F569 HydrophobicContact CB-CZ 4.34Å; P486-F569 HydrophobicContact CG-CD1 3.98Å; P486-F569 HydrophobicContact CG-CE1 3.43Å; P486-F569 VanDerWaalsContact CG-CE1 3.43Å; P486-F569 HydrophobicContact CG-CE2 4.31Å; P486-F569 HydrophobicContact CG-CZ 3.61Å
487	F	85	Confident	79.3	Confident	7 Å²	7	30.2 Å²	30.2	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-64.1	-43.9	-177.7	174.7	-91.4	0	0	0	111.7	I448 M469 F483 T484 L485 Q490 L491 F577 L580	I448-F487 HydrophobicContact CD1-CE2 4.3Å; M469-F487 HydrophobicContact CE-CE1 3.64Å; M469-F487 HydrophobicContact CE-CZ 3.91Å; M469-F487 HydrophobicContact SD-CE1 4.39Å; M469-F487 HydrophobicContact SD-CZ 4.07Å; F483-F487 HydrophobicContact CB-CB 4.05Å; F483-F487 HydrophobicContact CB-CD1 3.35Å; F483-F487 HydrophobicContact CB-CE1 3.87Å; F483-F487 HydrophobicContact CB-CG 3.82Å; F483-F487 HydrophobicContact CD1-CD1 4.13Å; F483-F487 AromaticContact CD1-CE1 3.93Å; F483-F487 HydrophobicContact CD1-CE1 3.93Å; F483-F487 HydrophobicContact CD1-CE2 4.39Å; F483-F487 HydrophobicContact CD1-CG 4.43Å; F483-F487 HydrophobicContact CD1-CZ 4.07Å; F483-F487 HydrophobicContact CD2-CD1 4.07Å; F483-F487 AromaticContact CD2-CE1 3.69Å; F483-F487 HydrophobicContact CD2-CE1 3.69Å; F483-F487 HydrophobicContact CD2-CZ 4.43Å; F483-F487 HydrophobicContact CE1-CE1 4.41Å; F483-F487 HydrophobicContact CE1-CZ 4.27Å; F483-F487 HydrophobicContact CE2-CE1 4.21Å; F483-F487 AromaticContact CG-CD1 3.58Å; F483-F487 HydrophobicContact CG-CD1 3.58Å; F483-F487 AromaticContact CG-CE1 3.53Å; F483-F487 HydrophobicContact CG-CE1 3.53Å; F483-F487 HydrophobicContact CG-CG 4.22Å; F483-F487 HydrophobicContact CG-CZ 4.15Å; T484-F487 VanDerWaalsContact O-CB 3.27Å; T484-F487 WeakPolarHBondContact O-CB 3.15Å; T484-F487 PolarHBondContact O-N 2.89Å; L485-F487 VanDerWaalsContact C-N 3.27Å; L485-F487 PolarHBondContact O-N 3.48Å; F487-Q490 PolarHBondContact O-N 3.06Å; F487-L491 WeakPolarHBondContact O-CB 3.28Å; F487-L491 PolarHBondContact O-N 3.47Å; F487-F577 HydrophobicContact CD2-CD2 4.17Å; F487-F577 AromaticContact CD2-CE2 3.8Å; F487-F577 HydrophobicContact CD2-CE2 3.8Å; F487-F577 HydrophobicContact CE2-CD2 4.23Å; F487-F577 AromaticContact CE2-CE2 3.92Å; F487-F577 HydrophobicContact CE2-CE2 3.92Å; F487-L580 HydrophobicContact CE2-CD1 3.9Å; F487-L580 HydrophobicContact CE2-CD2 4.25Å; F487-L580 HydrophobicContact CZ-CD1 3.88Å; F487-L580 HydrophobicContact CZ-CD2 3.9Å
488	Y	85.4	Confident	78.9	Confident	1 Å²	1	30.2 Å²	30.2	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-67.7	-35.3	175	-58.1	-64.8	0	0	0	112.2	F483 L485 L491 L492 L601 E602 I605	F483-Y488 HydrophobicContact CB-CE1 4.35Å; F483-Y488 HydrophobicContact CB-CE2 4.09Å; F483-Y488 HydrophobicContact CD2-CE1 4.18Å; F483-Y488 PolarHBondContact N-OH 3.21Å; F483-Y488 WeakPolarHBondContact O-CE2 3.38Å; L485-Y488 PolarHBondContact O-N 3.38Å; Y488-L491 PolarHBondContact O-N 3.09Å; Y488-L492 WeakPolarHBondContact O-CG 3.3Å; Y488-L492 PolarHBondContact O-N 3.48Å; Y488-L492 VanDerWaalsContact O-N 3.1Å; Y488-L601 HydrophobicContact CD1-CD2 4.48Å; Y488-L601 HydrophobicContact CD1-CG 4.34Å; Y488-E602 HydrophobicContact CD2-CB 3.84Å; Y488-E602 HydrophobicContact CD2-CG 4.32Å; Y488-E602 HydrophobicContact CE1-CB 4.38Å; Y488-E602 HydrophobicContact CE2-CB 3.57Å; Y488-E602 HydrophobicContact CE2-CG 3.59Å; Y488-E602 HydrophobicContact CG-CB 4.33Å; Y488-I605 HydrophobicContact CD1-CD1 4.15Å; Y488-I605 HydrophobicContact CE1-CD1 3.94Å
489	K	83.6	Confident	78.3	Confident	23 Å²	23	34 Å²	34	10%	0.1	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-47.3	172.8	-76.6	178.6	165.1	173.9	0	111.9	L485 P486 L491 L492 G493 K494 D500 H598	L485-K489 PolarHBondContact O-N 2.87Å; L485-K489 VanDerWaalsContact O-N 3.16Å; P486-K489 WeakPolarHBondContact O-CB 3.38Å; P486-K489 PolarHBondContact O-N 3.43Å; K489-L491 VanDerWaalsContact C-N 3.31Å; K489-L491 PolarHBondContact O-N 3.34Å; K489-L492 PolarHBondContact O-N 2.93Å; K489-G493 PolarHBondContact O-N 2.99Å; K489-K494 HydrophobicContact CB-CB 4.47Å; K489-K494 PolarHBondContact O-N 2.87Å; K489-D500 WeakPolarHBondContact CD-OD2 3.47Å; K489-D500 IonicContact NZ-OD1 2.66Å; K489-D500 PolarHBondContact NZ-OD1 3.44Å; K489-D500 IonicContact NZ-OD2 3.19Å; K489-D500 PolarHBondContact NZ-OD2 2.75Å; K489-H598 HydrophobicContact CG-CB 3.61Å
490	Q	86.6	Confident	77.7	Confident	20 Å²	20	34.5 Å²	34.5	9%	0.093	20%	0.199	C	C	.	.	H	α-helix	trans	-58.8	-41.5	174.5	-70.8	168.4	-31.1	0	0	111.4	P486 F487 L492 G493 I496 M570 F577	P486-Q490 VanDerWaalsContact O-CG 3.3Å; P486-Q490 WeakPolarHBondContact O-CG 3.28Å; P486-Q490 PolarHBondContact O-N 3.38Å; F487-Q490 PolarHBondContact O-N 3.06Å; Q490-L492 VanDerWaalsContact C-N 3.32Å; Q490-L492 PolarHBondContact O-N 3.48Å; Q490-G493 PolarHBondContact O-N 3.44Å; Q490-I496 HydrophobicContact CG-CD1 3.89Å; Q490-I496 HydrophobicContact CG-CG1 4.27Å; Q490-M570 PolarHBondContact NE2-SD 2.61Å; Q490-F577 HydrophobicContact CB-CD1 4.5Å; Q490-F577 HydrophobicContact CB-CD2 4.49Å; Q490-F577 HydrophobicContact CB-CE1 3.75Å; Q490-F577 HydrophobicContact CB-CE2 3.74Å; Q490-F577 HydrophobicContact CB-CZ 3.34Å
491	L	87.4	Confident	77.8	Confident	3 Å²	3	33 Å²	33	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-65.5	-35.6	-178.9	-166.2	57.4	0	0	0	112.2	M469 F487 Y488 K489 G493 F577 L580 Q581 F584 L601 I605	M469-L491 HydrophobicContact CE-CD2 4.21Å; F487-L491 WeakPolarHBondContact O-CB 3.28Å; F487-L491 PolarHBondContact O-N 3.47Å; Y488-L491 PolarHBondContact O-N 3.09Å; K489-L491 VanDerWaalsContact C-N 3.31Å; K489-L491 PolarHBondContact O-N 3.34Å; L491-G493 VanDerWaalsContact C-N 3.26Å; L491-G493 PolarHBondContact O-N 3Å; L491-F577 HydrophobicContact CB-CZ 4.27Å; L491-F577 HydrophobicContact CD1-CZ 4.41Å; L491-L580 HydrophobicContact CD1-CD2 4.39Å; L491-Q581 HydrophobicContact CD1-CG 4.35Å; L491-F584 HydrophobicContact CD1-CB 4.4Å; L491-F584 HydrophobicContact CD1-CD1 3.62Å; L491-F584 HydrophobicContact CD1-CE1 4.05Å; L491-F584 HydrophobicContact CD1-CG 4.12Å; L491-F584 HydrophobicContact CD2-CD1 4.09Å; L491-F584 HydrophobicContact CD2-CE1 3.81Å; L491-F584 HydrophobicContact CD2-CE2 4.41Å; L491-F584 HydrophobicContact CD2-CG 4.46Å; L491-F584 HydrophobicContact CD2-CZ 4.01Å; L491-F584 HydrophobicContact CG-CD1 3.98Å; L491-F584 HydrophobicContact CG-CE1 3.87Å; L491-L601 HydrophobicContact CB-CD2 4.34Å; L491-L601 HydrophobicContact CD2-CD2 4.18Å; L491-L601 HydrophobicContact CG-CD2 4.39Å; L491-I605 HydrophobicContact CD2-CD1 4.26Å
492	L	85.3	Confident	77.9	Confident	21 Å²	21	37.9 Å²	37.9	11%	0.11	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.2	171.1	-68.6	171.3	0	0	0	114.3	Y488 K489 Q490 K494 L593 D597 H598 L601	Y488-L492 WeakPolarHBondContact O-CG 3.3Å; Y488-L492 PolarHBondContact O-N 3.48Å; Y488-L492 VanDerWaalsContact O-N 3.1Å; K489-L492 PolarHBondContact O-N 2.93Å; Q490-L492 VanDerWaalsContact C-N 3.32Å; Q490-L492 PolarHBondContact O-N 3.48Å; L492-K494 VanDerWaalsContact C-N 3.26Å; L492-K494 HydrophobicContact CB-CB 4.45Å; L492-K494 HydrophobicContact CB-CD 4.07Å; L492-K494 HydrophobicContact CB-CG 3.98Å; L492-K494 HydrophobicContact CD1-CD 4.03Å; L492-K494 PolarHBondContact O-N 3.35Å; L492-L593 HydrophobicContact CD2-CB 3.9Å; L492-L593 WeakPolarHBondContact CD2-O 3.44Å; L492-D597 VanDerWaalsContact CD1-C 3.48Å; L492-D597 WeakPolarHBondContact CD1-O 3.26Å; L492-H598 HydrophobicContact CD1-CB 4.23Å; L492-L601 HydrophobicContact CD1-CB 4.38Å; L492-L601 HydrophobicContact CD1-CD2 4.22Å; L492-L601 HydrophobicContact CD2-CD2 3.79Å; L492-L601 HydrophobicContact CG-CD2 3.67Å
493	G	83.2	Confident	77.4	Confident	55 Å²	55	39.5 Å²	39.5	57%	0.567	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.2	22.7	-170.4	0	0	0	0	0	113.7	K489 Q490 L491	K489-G493 PolarHBondContact O-N 2.99Å; Q490-G493 PolarHBondContact O-N 3.44Å; L491-G493 VanDerWaalsContact C-N 3.26Å; L491-G493 PolarHBondContact O-N 3Å
494	K	83.2	Confident	76.7	Confident	77 Å²	77	39.6 Å²	39.6	34%	0.335	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-89.3	139.4	178.2	-71.4	178.6	176.3	174.4	0	110.2	K489 L492 F596	K489-K494 HydrophobicContact CB-CB 4.47Å; K489-K494 PolarHBondContact O-N 2.87Å; L492-K494 VanDerWaalsContact C-N 3.26Å; L492-K494 HydrophobicContact CB-CB 4.45Å; L492-K494 HydrophobicContact CB-CD 4.07Å; L492-K494 HydrophobicContact CB-CG 3.98Å; L492-K494 HydrophobicContact CD1-CD 4.03Å; L492-K494 PolarHBondContact O-N 3.35Å; K494-F596 PolarHBondContact NZ-O 3.13Å
495	P	78.9	Confident	76.5	Confident	96 Å²	96	40.7 Å²	40.7	62%	0.623	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-68.8	135	-178.6	28.4	-34.7	0	0	0	111.5	Q497	P495-Q497 PolarHBondContact O-NE2 2.92Å
496	I	81.6	Confident	76.3	Confident	14 Å²	14	40.5 Å²	40.5	7%	0.072	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-67.9	136.9	175.3	-49.3	171.9	0	0	0	109.2	P486 Q490 D500 V565 F569	P486-I496 HydrophobicContact CB-CD1 4.46Å; P486-I496 HydrophobicContact CB-CG2 4.49Å; Q490-I496 HydrophobicContact CG-CD1 3.89Å; Q490-I496 HydrophobicContact CG-CG1 4.27Å; I496-D500 HydrophobicContact CG2-CB 3.87Å; I496-V565 HydrophobicContact CB-CG1 4.42Å; I496-V565 HydrophobicContact CG2-CG1 3.97Å; I496-F569 HydrophobicContact CD1-CB 3.5Å; I496-F569 HydrophobicContact CD1-CD2 4Å; I496-F569 HydrophobicContact CD1-CG 3.9Å; I496-F569 HydrophobicContact CG2-CD2 3.66Å; I496-F569 HydrophobicContact CG2-CE2 3.77Å; I496-F569 HydrophobicContact CG2-CG 4.46Å
497	Q	74.4	Confident	76.1	Confident	101 Å²	101	47.8 Å²	47.8	47%	0.472	26%	0.261	S	S	.	.			trans	-104.4	162.2	-177.8	-59.8	-62	-57.5	0	0	110.9	P495 N499 D500	P495-Q497 PolarHBondContact O-NE2 2.92Å; Q497-N499 VanDerWaalsContact C-N 3.31Å; Q497-N499 PolarHBondContact O-N 3.33Å; Q497-D500 PolarHBondContact N-OD2 2.69Å; Q497-D500 WeakPolarHBondContact O-CB 3.45Å; Q497-D500 PolarHBondContact O-N 2.98Å; Q497-D500 VanDerWaalsContact O-N 3.14Å
498	L	74.8	Confident	75.9	Confident	24 Å²	24	48.8 Å²	48.8	13%	0.126	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-42.8	176.6	179.8	57.6	0	0	0	112	D500 L501 H509 L512 V513 L516 V561 V565	L498-D500 PolarHBondContact O-N 3.18Å; L498-D500 VanDerWaalsContact O-N 3.1Å; L498-L501 HydrophobicContact CD1-CD2 4.39Å; L498-L501 WeakPolarHBondContact O-CB 3.31Å; L498-L501 PolarHBondContact O-N 3.27Å; L498-H509 PolarHBondContact O-CD2 3Å; L498-H509 VanDerWaalsContact O-CD2 3.29Å; L498-L512 HydrophobicContact CD1-CB 3.74Å; L498-L512 HydrophobicContact CD1-CD1 4.04Å; L498-V513 HydrophobicContact CD2-CG2 3.73Å; L498-V513 HydrophobicContact CG-CG2 4.31Å; L498-L516 HydrophobicContact CD2-CD1 3.61Å; L498-V561 HydrophobicContact CD1-CG1 4.25Å; L498-V561 HydrophobicContact CD2-CG1 4.25Å; L498-V565 HydrophobicContact CD1-CG2 3.96Å
499	N	69.4	Low	75.5	Confident	115 Å²	115	49.8 Å²	49.8	62%	0.615	27%	0.272	S	S	*	.	H	α-helix	trans	-61.1	-21.6	179.4	-53	25.5	0	0	0	113.3	Q497 L501 E502	Q497-N499 VanDerWaalsContact C-N 3.31Å; Q497-N499 PolarHBondContact O-N 3.33Å; N499-L501 PolarHBondContact O-N 2.91Å; N499-E502 WeakPolarHBondContact O-CB 3.33Å; N499-E502 PolarHBondContact O-N 3.25Å
500	D	68.4	Low	75.4	Confident	11 Å²	11	55.7 Å²	55.7	6%	0.059	30%	0.297	C	S	.	.	H	α-helix	trans	-68.7	-28.6	174.9	-64	-50.6	0	0	0	111.7	P486 K489 I496 Q497 L498 E502 T503	P486-D500 HydrophobicContact CG-CB 4.13Å; K489-D500 WeakPolarHBondContact CD-OD2 3.47Å; K489-D500 IonicContact NZ-OD1 2.66Å; K489-D500 PolarHBondContact NZ-OD1 3.44Å; K489-D500 IonicContact NZ-OD2 3.19Å; K489-D500 PolarHBondContact NZ-OD2 2.75Å; I496-D500 HydrophobicContact CG2-CB 3.87Å; Q497-D500 PolarHBondContact N-OD2 2.69Å; Q497-D500 WeakPolarHBondContact O-CB 3.45Å; Q497-D500 PolarHBondContact O-N 2.98Å; Q497-D500 VanDerWaalsContact O-N 3.14Å; L498-D500 PolarHBondContact O-N 3.18Å; L498-D500 VanDerWaalsContact O-N 3.1Å; D500-E502 VanDerWaalsContact C-N 3.35Å; D500-T503 PolarHBondContact O-OG1 3.06Å
501	L	70.2	Confident	75.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-71.1	-28.6	178.8	-166.9	65.7	0	0	0	112.6	L498 N499 T503 T504 D505 L508 H509 L512 V565 R568 F569	L498-L501 HydrophobicContact CD1-CD2 4.39Å; L498-L501 WeakPolarHBondContact O-CB 3.31Å; L498-L501 PolarHBondContact O-N 3.27Å; N499-L501 PolarHBondContact O-N 2.91Å; L501-T503 PolarHBondContact O-N 3.43Å; L501-T503 VanDerWaalsContact O-N 3.1Å; L501-T504 PolarHBondContact O-N 2.82Å; L501-D505 HydrophobicContact CD1-CB 3.68Å; L501-D505 HydrophobicContact CG-CB 4.06Å; L501-D505 CarbonylContact O-C 3.3Å; L501-D505 PolarHBondContact O-N 3.32Å; L501-L508 HydrophobicContact CD1-CD2 4.34Å; L501-L508 HydrophobicContact CD2-CB 4.19Å; L501-L508 HydrophobicContact CD2-CD2 3.86Å; L501-L508 HydrophobicContact CD2-CG 3.83Å; L501-H509 HydrophobicContact CB-CB 4.45Å; L501-H509 HydrophobicContact CD2-CB 4.44Å; L501-H509 HydrophobicContact CG-CB 4.35Å; L501-L512 HydrophobicContact CD2-CD1 3.7Å; L501-V565 HydrophobicContact CD2-CG2 4.42Å; L501-R568 HydrophobicContact CD1-CG 3.94Å; L501-F569 HydrophobicContact CB-CE2 4.3Å; L501-F569 HydrophobicContact CD1-CE2 3.74Å; L501-F569 HydrophobicContact CD1-CZ 3.8Å
502	E	66.1	Low	75.3	Confident	113 Å²	113	57.9 Å²	57.9	53%	0.528	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-35.9	177.8	-172.8	175.7	-154.1	0	0	112.5	N499 D500	N499-E502 WeakPolarHBondContact O-CB 3.33Å; N499-E502 PolarHBondContact O-N 3.25Å; D500-E502 VanDerWaalsContact C-N 3.35Å
503	T	58.1	Low	75.4	Confident	78 Å²	78	58.4 Å²	58.4	48%	0.479	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-9.4	-178	66.6	0	0	0	0	115.1	D500 L501	D500-T503 PolarHBondContact O-OG1 3.06Å; L501-T503 PolarHBondContact O-N 3.43Å; L501-T503 VanDerWaalsContact O-N 3.1Å
504	T	63.6	Low	75.6	Confident	6 Å²	6	61 Å²	61	4%	0.037	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-26	-171	-53	0	0	0	0	113.2	L501 F569	L501-T504 PolarHBondContact O-N 2.82Å; T504-F569 HydrophobicContact CG2-CE1 4.01Å; T504-F569 HydrophobicContact CG2-CZ 4.48Å
505	D	68.9	Low	75.8	Confident	40 Å²	40	57.9 Å²	57.9	21%	0.214	30%	0.299	C	S	.	.			trans	-155	75.4	-178.4	-158.6	-35	0	0	0	109.6	L501 E507 L508 H509 R568	L501-D505 HydrophobicContact CD1-CB 3.68Å; L501-D505 HydrophobicContact CG-CB 4.06Å; L501-D505 CarbonylContact O-C 3.3Å; L501-D505 PolarHBondContact O-N 3.32Å; D505-E507 PolarHBondContact O-N 3.48Å; D505-L508 HydrophobicContact CB-CB 4.11Å; D505-L508 VanDerWaalsContact CG-CB 3.43Å; D505-L508 PolarHBondContact O-N 2.81Å; D505-L508 WeakPolarHBondContact OD1-CB 3.38Å; D505-L508 PolarHBondContact OD1-N 3.33Å; D505-H509 WeakPolarHBondContact O-CB 3.37Å; D505-H509 PolarHBondContact O-N 2.89Å; D505-R568 IonicContact OD2-CZ 3.41Å; D505-R568 VanDerWaalsContact OD2-CZ 3.27Å; D505-R568 IonicContact OD2-NE 2.73Å; D505-R568 PolarHBondContact OD2-NE 3.35Å; D505-R568 IonicContact OD2-NH2 2.84Å; D505-R568 PolarHBondContact OD2-NH2 3.19Å
506	P	70.1	Confident	76.2	Confident	44 Å²	44	56.2 Å²	56.2	29%	0.286	28%	0.284	S	S	.	.	H	α-helix	trans	-63.9	-27.1	-172.2	-21.1	31.3	0	0	0	113.9	D441 K510	D441-P506 WeakPolarHBondContact OD2-CD 3.36Å; D441-P506 WeakPolarHBondContact OD2-CG 3.24Å; P506-K510 WeakPolarHBondContact O-CD 3.3Å; P506-K510 VanDerWaalsContact O-CG 3.29Å; P506-K510 WeakPolarHBondContact O-CG 3.3Å; P506-K510 PolarHBondContact O-N 2.66Å
507	E	73.3	Confident	76.4	Confident	155 Å²	155	62.9 Å²	62.9	72%	0.724	32%	0.315	S	S	*	.	H	α-helix	trans	-73.2	-49	177.4	-64.5	-171	164.3	0	0	110.8	D505 H509 K510 S511	D505-E507 PolarHBondContact O-N 3.48Å; E507-H509 VanDerWaalsContact C-N 3.31Å; E507-H509 PolarHBondContact O-N 3.27Å; E507-K510 PolarHBondContact O-N 2.91Å; E507-S511 PolarHBondContact O-N 3.32Å; E507-S511 VanDerWaalsContact O-N 3.07Å; E507-S511 PolarHBondContact O-OG 2.96Å
508	L	81.6	Confident	77	Confident	28 Å²	28	60.9 Å²	60.9	15%	0.147	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-36.5	175.3	-175.3	64.7	0	0	0	111.9	L501 D505 S511 L512 Y564 R568	L501-L508 HydrophobicContact CD1-CD2 4.34Å; L501-L508 HydrophobicContact CD2-CB 4.19Å; L501-L508 HydrophobicContact CD2-CD2 3.86Å; L501-L508 HydrophobicContact CD2-CG 3.83Å; D505-L508 HydrophobicContact CB-CB 4.11Å; D505-L508 VanDerWaalsContact CG-CB 3.43Å; D505-L508 PolarHBondContact O-N 2.81Å; D505-L508 WeakPolarHBondContact OD1-CB 3.38Å; D505-L508 PolarHBondContact OD1-N 3.33Å; L508-S511 PolarHBondContact O-N 3.48Å; L508-L512 HydrophobicContact CD1-CD1 4.37Å; L508-L512 HydrophobicContact CD1-CG 4.29Å; L508-L512 HydrophobicContact CG-CD1 4.06Å; L508-L512 HydrophobicContact CG-CG 4.37Å; L508-L512 WeakPolarHBondContact O-CG 3.48Å; L508-L512 PolarHBondContact O-N 2.98Å; L508-Y564 HydrophobicContact CD1-CE1 3.72Å; L508-Y564 HydrophobicContact CD2-CD1 4.41Å; L508-Y564 HydrophobicContact CD2-CE1 3.77Å; L508-Y564 HydrophobicContact CG-CE1 4.25Å; L508-R568 HydrophobicContact CD2-CB 4.43Å; L508-R568 HydrophobicContact CD2-CG 3.72Å
509	H	76.9	Confident	77.4	Confident	22 Å²	22	64.3 Å²	64.3	10%	0.102	33%	0.326	C	S	.	.	H	α-helix	trans	-55.7	-52	172.6	-179.6	-112.9	0	0	0	111.3	L498 L501 D505 E507 S511 L512 V513	L498-H509 PolarHBondContact O-CD2 3Å; L498-H509 VanDerWaalsContact O-CD2 3.29Å; L501-H509 HydrophobicContact CB-CB 4.45Å; L501-H509 HydrophobicContact CD2-CB 4.44Å; L501-H509 HydrophobicContact CG-CB 4.35Å; D505-H509 WeakPolarHBondContact O-CB 3.37Å; D505-H509 PolarHBondContact O-N 2.89Å; E507-H509 VanDerWaalsContact C-N 3.31Å; E507-H509 PolarHBondContact O-N 3.27Å; H509-S511 VanDerWaalsContact C-N 3.33Å; H509-S511 PolarHBondContact O-N 2.81Å; H509-L512 PolarHBondContact O-N 2.78Å; H509-V513 WeakPolarHBondContact O-CB 3.27Å; H509-V513 VanDerWaalsContact O-CG2 3.29Å; H509-V513 WeakPolarHBondContact O-CG2 3.32Å; H509-V513 PolarHBondContact O-N 3.34Å
510	K	81.2	Confident	78	Confident	146 Å²	146	59.1 Å²	59.1	64%	0.635	30%	0.298	S	S	*	.	H	α-helix	trans	-57.6	-42.6	176.6	-72.5	166	-175.7	173	0	112.5	P506 E507 W514	P506-K510 WeakPolarHBondContact O-CD 3.3Å; P506-K510 VanDerWaalsContact O-CG 3.29Å; P506-K510 WeakPolarHBondContact O-CG 3.3Å; P506-K510 PolarHBondContact O-N 2.66Å; E507-K510 PolarHBondContact O-N 2.91Å; K510-W514 WeakPolarHBondContact O-CB 3.47Å; K510-W514 PolarHBondContact O-N 2.97Å
511	S	86.5	Confident	78.4	Confident	66 Å²	66	62.5 Å²	62.5	46%	0.462	32%	0.319	S	S	.	.	H	α-helix	trans	-64	-42.1	178.4	-57.7	0	0	0	0	112.9	E507 L508 H509 W514 I515	E507-S511 PolarHBondContact O-N 3.32Å; E507-S511 VanDerWaalsContact O-N 3.07Å; E507-S511 PolarHBondContact O-OG 2.96Å; L508-S511 PolarHBondContact O-N 3.48Å; H509-S511 VanDerWaalsContact C-N 3.33Å; H509-S511 PolarHBondContact O-N 2.81Å; S511-W514 PolarHBondContact O-N 3.16Å; S511-I515 WeakPolarHBondContact O-CG1 3.37Å; S511-I515 PolarHBondContact O-N 3.1Å; S511-I515 VanDerWaalsContact O-N 3.17Å
512	L	86.5	Confident	78.2	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-74.4	-34.3	179	-65.8	176.3	0	0	0	112.5	L498 L501 L508 H509 I515 L516 V561 Y564 V565	L498-L512 HydrophobicContact CD1-CB 3.74Å; L498-L512 HydrophobicContact CD1-CD1 4.04Å; L501-L512 HydrophobicContact CD2-CD1 3.7Å; L508-L512 HydrophobicContact CD1-CD1 4.37Å; L508-L512 HydrophobicContact CD1-CG 4.29Å; L508-L512 HydrophobicContact CG-CD1 4.06Å; L508-L512 HydrophobicContact CG-CG 4.37Å; L508-L512 WeakPolarHBondContact O-CG 3.48Å; L508-L512 PolarHBondContact O-N 2.98Å; H509-L512 PolarHBondContact O-N 2.78Å; L512-I515 HydrophobicContact CD2-CD1 4.42Å; L512-I515 PolarHBondContact O-N 2.59Å; L512-L516 WeakPolarHBondContact O-CG 3.39Å; L512-L516 PolarHBondContact O-N 3.01Å; L512-V561 HydrophobicContact CB-CG1 4.09Å; L512-V561 HydrophobicContact CB-CG2 4.5Å; L512-V561 HydrophobicContact CD1-CG1 4.49Å; L512-V561 HydrophobicContact CD2-CG2 4.18Å; L512-Y564 HydrophobicContact CD1-CD1 4.07Å; L512-Y564 HydrophobicContact CD2-CD1 4.29Å; L512-Y564 HydrophobicContact CD2-CG 4.17Å; L512-V565 HydrophobicContact CD1-CG2 3.83Å
513	V	87.1	Confident	78.2	Confident	32 Å²	32	67.2 Å²	67.2	19%	0.194	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-46.8	169.9	169.6	0	0	0	0	110.2	L498 H509 I515 L516 E517	L498-V513 HydrophobicContact CD2-CG2 3.73Å; L498-V513 HydrophobicContact CG-CG2 4.31Å; H509-V513 WeakPolarHBondContact O-CB 3.27Å; H509-V513 VanDerWaalsContact O-CG2 3.29Å; H509-V513 WeakPolarHBondContact O-CG2 3.32Å; H509-V513 PolarHBondContact O-N 3.34Å; V513-I515 VanDerWaalsContact C-N 3.3Å; V513-I515 PolarHBondContact O-N 3.12Å; V513-L516 WeakPolarHBondContact O-CB 3.39Å; V513-L516 PolarHBondContact O-N 3.27Å; V513-E517 VanDerWaalsContact CG1-CD 3.43Å; V513-E517 HydrophobicContact CG1-CG 4.12Å; V513-E517 WeakPolarHBondContact CG1-OE1 3.42Å; V513-E517 WeakPolarHBondContact O-CG 3.26Å; V513-E517 PolarHBondContact O-N 2.77Å
514	W	87.8	Confident	78.9	Confident	108 Å²	108	65.8 Å²	65.8	41%	0.409	35%	0.35	S	S	.	.	H	α-helix	trans	-56.6	-43.1	177.8	-173.4	90.5	0	0	0	112.1	K510 S511 L516 E517 N518 V523 L524	K510-W514 WeakPolarHBondContact O-CB 3.47Å; K510-W514 PolarHBondContact O-N 2.97Å; S511-W514 PolarHBondContact O-N 3.16Å; W514-L516 VanDerWaalsContact C-N 3.29Å; W514-L516 PolarHBondContact O-N 3.25Å; W514-E517 PolarHBondContact O-N 3.1Å; W514-N518 HydrophobicContact CD2-CB 4.2Å; W514-N518 HydrophobicContact CE3-CB 4.49Å; W514-N518 HydrophobicContact CH2-CB 4.14Å; W514-N518 HydrophobicContact CZ2-CB 3.84Å; W514-N518 HydrophobicContact CZ3-CB 4.46Å; W514-N518 PolarHBondContact NE1-ND2 3.19Å; W514-N518 WeakPolarHBondContact O-CB 3.49Å; W514-N518 PolarHBondContact O-N 2.96Å; W514-N518 PolarHBondContact O-ND2 3.45Å; W514-V523 HydrophobicContact CH2-CG1 3.93Å; W514-L524 HydrophobicContact CZ3-CD1 3.89Å; W514-L524 HydrophobicContact CZ3-CG 4.43Å
515	I	86.5	Confident	79.1	Confident	13 Å²	13	73.5 Å²	73.5	7%	0.067	39%	0.391	C	S	.	.	H	α-helix	trans	-58.5	-38.2	174.1	-74.6	168.9	0	0	0	112.1	S511 L512 V513 I520 L524 K557 Y560 V561	S511-I515 WeakPolarHBondContact O-CG1 3.37Å; S511-I515 PolarHBondContact O-N 3.1Å; S511-I515 VanDerWaalsContact O-N 3.17Å; L512-I515 HydrophobicContact CD2-CD1 4.42Å; L512-I515 PolarHBondContact O-N 2.59Å; V513-I515 VanDerWaalsContact C-N 3.3Å; V513-I515 PolarHBondContact O-N 3.12Å; I515-I520 HydrophobicContact CG2-CG2 4.22Å; I515-L524 HydrophobicContact CD1-CD1 4.1Å; I515-L524 HydrophobicContact CG1-CD1 3.71Å; I515-K557 HydrophobicContact CG2-CB 4.26Å; I515-K557 VanDerWaalsContact O-CD 3.26Å; I515-K557 WeakPolarHBondContact O-CD 3.42Å; I515-K557 WeakPolarHBondContact O-CE 3.36Å; I515-K557 PolarHBondContact O-NZ 3.4Å; I515-K557 VanDerWaalsContact O-NZ 3.15Å; I515-Y560 HydrophobicContact CD1-CE1 4.41Å; I515-V561 HydrophobicContact CG2-CG2 3.94Å
516	L	86.9	Confident	79.6	Confident	60 Å²	60	75 Å²	75	31%	0.314	40%	0.397	S	S	.	.	H	α-helix	trans	-74.4	-38.4	178.8	-67.3	179.3	0	0	0	112.8	L498 L512 V513 W514 K557 K558 V561	L498-L516 HydrophobicContact CD2-CD1 3.61Å; L512-L516 WeakPolarHBondContact O-CG 3.39Å; L512-L516 PolarHBondContact O-N 3.01Å; V513-L516 WeakPolarHBondContact O-CB 3.39Å; V513-L516 PolarHBondContact O-N 3.27Å; W514-L516 VanDerWaalsContact C-N 3.29Å; W514-L516 PolarHBondContact O-N 3.25Å; L516-K557 HydrophobicContact CD2-CG 4.4Å; L516-K557 WeakPolarHBondContact O-CE 3.23Å; L516-K557 PolarHBondContact O-NZ 3.18Å; L516-K558 HydrophobicContact CD2-CG 4Å; L516-V561 HydrophobicContact CD1-CG1 4.22Å; L516-V561 HydrophobicContact CD2-CB 4.23Å; L516-V561 HydrophobicContact CD2-CG2 3.89Å; L516-V561 HydrophobicContact CG-CG1 4.49Å; L516-V561 HydrophobicContact CG-CG2 4.08Å
517	E	87	Confident	80.2	Confident	154 Å²	154	75.3 Å²	75.3	72%	0.72	40%	0.397	S	S	*	.	H	α-helix	trans	-85.7	-23.7	-172.5	-68.2	-179.9	165.8	0	0	114.3	V513 W514	V513-E517 VanDerWaalsContact CG1-CD 3.43Å; V513-E517 HydrophobicContact CG1-CG 4.12Å; V513-E517 WeakPolarHBondContact CG1-OE1 3.42Å; V513-E517 WeakPolarHBondContact O-CG 3.26Å; V513-E517 PolarHBondContact O-N 2.77Å; W514-E517 PolarHBondContact O-N 3.1Å
518	N	86.7	Confident	80.8	Confident	59 Å²	59	67.9 Å²	67.9	32%	0.316	36%	0.363	S	S	.	.	S	Bend	trans	-110	154.7	-176.4	-61.8	-101.3	0	0	0	110.8	W514 I520 K557	W514-N518 HydrophobicContact CD2-CB 4.2Å; W514-N518 HydrophobicContact CE3-CB 4.49Å; W514-N518 HydrophobicContact CH2-CB 4.14Å; W514-N518 HydrophobicContact CZ2-CB 3.84Å; W514-N518 HydrophobicContact CZ3-CB 4.46Å; W514-N518 PolarHBondContact NE1-ND2 3.19Å; W514-N518 WeakPolarHBondContact O-CB 3.49Å; W514-N518 PolarHBondContact O-N 2.96Å; W514-N518 PolarHBondContact O-ND2 3.45Å; N518-I520 PolarHBondContact O-N 2.98Å; N518-K557 PolarHBondContact O-NZ 3.29Å
519	D	82.6	Confident	81	Confident	97 Å²	97	67.3 Å²	67.3	52%	0.519	36%	0.361	S	S	.	.			trans	-69.7	120	170.7	-176.3	4.1	0	0	0	109.5	T521 E554	D519-T521 WeakPolarHBondContact OD1-CB 3.35Å; D519-T521 PolarHBondContact OD1-N 3.48Å; D519-T521 PolarHBondContact OD1-OG1 2.9Å; D519-E554 WeakPolarHBondContact CA-OE1 3.08Å
520	I	82.8	Confident	81.3	Confident	6 Å²	6	66.6 Å²	66.6	3%	0.031	36%	0.358	C	S	.	.			trans	-87.4	-7.1	179.3	66.8	168.3	0	0	0	113.2	I515 N518 S522 V523 L524 V552 E554 K557	I515-I520 HydrophobicContact CG2-CG2 4.22Å; N518-I520 PolarHBondContact O-N 2.98Å; I520-S522 PolarHBondContact O-N 3.43Å; I520-V523 PolarHBondContact O-N 3.39Å; I520-L524 HydrophobicContact CG2-CD1 4.11Å; I520-L524 PolarHBondContact O-N 2.82Å; I520-V552 HydrophobicContact CD1-CB 4.29Å; I520-V552 HydrophobicContact CD1-CG1 3.69Å; I520-E554 WeakPolarHBondContact CG1-OE1 3.01Å; I520-E554 PolarHBondContact N-OE1 3.29Å; I520-K557 HydrophobicContact CD1-CB 4.04Å; I520-K557 HydrophobicContact CD1-CD 4.33Å; I520-K557 HydrophobicContact CG1-CD 4.42Å; I520-K557 HydrophobicContact CG2-CD 4.47Å
521	T	76.3	Confident	81.1	Confident	82 Å²	82	65.4 Å²	65.4	50%	0.503	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	118.9	-176.2	-54.2	0	0	0	0	110.9	D519 V523	D519-T521 WeakPolarHBondContact OD1-CB 3.35Å; D519-T521 PolarHBondContact OD1-N 3.48Å; D519-T521 PolarHBondContact OD1-OG1 2.9Å; T521-V523 PolarHBondContact O-N 2.89Å; T521-V523 VanDerWaalsContact O-N 3.15Å
522	S	65.3	Low	80.4	Confident	121 Å²	121	64.8 Å²	64.8	85%	0.846	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	9.5	-176.2	67.4	0	0	0	0	116.9	I520	I520-S522 PolarHBondContact O-N 3.43Å
523	V	67.6	Low	79.5	Confident	90 Å²	90	68.7 Å²	68.7	55%	0.545	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-30.6	176	-172.9	0	0	0	0	112.2	W514 I520 T521	W514-V523 HydrophobicContact CH2-CG1 3.93Å; I520-V523 PolarHBondContact O-N 3.39Å; T521-V523 PolarHBondContact O-N 2.89Å; T521-V523 VanDerWaalsContact O-N 3.15Å
524	L	71.4	Confident	78	Confident	49 Å²	49	68.9 Å²	68.9	26%	0.257	37%	0.37	S	S	.	.			trans	-131.8	107.8	-179.2	-69.1	175.6	0	0	0	112.3	W514 I515 I520 H526	W514-L524 HydrophobicContact CZ3-CD1 3.89Å; W514-L524 HydrophobicContact CZ3-CG 4.43Å; I515-L524 HydrophobicContact CD1-CD1 4.1Å; I515-L524 HydrophobicContact CG1-CD1 3.71Å; I520-L524 HydrophobicContact CG2-CD1 4.11Å; I520-L524 PolarHBondContact O-N 2.82Å; L524-H526 PolarHBondContact O-N 2.89Å
525	D	68.4	Low	76.5	Confident	168 Å²	168	72 Å²	72	90%	0.898	39%	0.387	S	S	*	.			trans	-77.6	66.1	169	-70	-31.7	0	0	0	110.9
526	H	78.4	Confident	75.2	Confident	72 Å²	72	74.1 Å²	74.1	33%	0.333	41%	0.413	S	S	.	.			trans	-98.3	144.4	176.8	-73.9	-13.8	0	0	0	112.1	L524 V552	L524-H526 PolarHBondContact O-N 2.89Å; H526-V552 HydrophobicContact CB-CB 4.14Å; H526-V552 HydrophobicContact CB-CG2 3.82Å; H526-V552 PolarHBondContact O-N 2.79Å
527	T	84.4	Confident	74	Confident	49 Å²	49	79 Å²	79	30%	0.301	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-114.3	172.8	167.2	56.7	0	0	0	0	109.1	C529 R548 I550 Y560	T527-C529 PolarHBondContact O-N 2.65Å; T527-R548 WeakPolarHBondContact CG2-O 3.49Å; T527-I550 CarbonylContact C-O 3.58Å; T527-I550 WeakPolarHBondContact CA-O 3.15Å; T527-I550 WeakPolarHBondContact CB-O 3.34Å; T527-Y560 WeakPolarHBondContact O-CE2 3.48Å
528	F	85.7	Confident	73.2	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	43%	0.428	C	S	.	.	S	Bend	trans	-74.7	47.5	172.6	-78.7	-108.8	0	0	0	112	L543 K544 G547 I550 V552 N556 E559 Y560 L563	F528-L543 HydrophobicContact CB-CB 4.45Å; F528-L543 PolarHBondContact O-N 3.43Å; F528-K544 HydrophobicContact CB-CD 4.45Å; F528-K544 HydrophobicContact CB-CG 4.13Å; F528-K544 HydrophobicContact CD1-CD 3.54Å; F528-K544 VanDerWaalsContact CD1-CE 3.46Å; F528-K544 HydrophobicContact CD1-CG 4.02Å; F528-K544 HydrophobicContact CE1-CD 3.9Å; F528-K544 VanDerWaalsContact CE1-NZ 3.25Å; F528-K544 HydrophobicContact CG-CD 4.05Å; F528-K544 HydrophobicContact CG-CG 4.28Å; F528-K544 VanDerWaalsContact CZ-NZ 3.28Å; F528-G547 CarbonylContact C-O 3.45Å; F528-G547 WeakPolarHBondContact CA-O 3.3Å; F528-G547 WeakPolarHBondContact CB-O 3.45Å; F528-G547 PolarHBondContact N-O 2.86Å; F528-G547 CarbonylContact O-C 3.59Å; F528-G547 WeakPolarHBondContact O-CA 3.37Å; F528-I550 HydrophobicContact CD2-CB 4.1Å; F528-I550 HydrophobicContact CD2-CG2 3.67Å; F528-I550 WeakPolarHBondContact CD2-O 3.31Å; F528-I550 HydrophobicContact CE2-CG2 3.91Å; F528-I550 PolarHBondContact N-O 2.88Å; F528-V552 HydrophobicContact CD2-CG2 4.03Å; F528-V552 HydrophobicContact CE2-CG2 4.06Å; F528-N556 HydrophobicContact CE2-CB 4.41Å; F528-N556 WeakPolarHBondContact CE2-OD1 3.34Å; F528-N556 HydrophobicContact CZ-CB 4.11Å; F528-E559 HydrophobicContact CE1-CB 4.22Å; F528-E559 HydrophobicContact CE1-CG 4.14Å; F528-E559 HydrophobicContact CZ-CB 4.33Å; F528-Y560 HydrophobicContact CD1-CD2 4.24Å; F528-Y560 HydrophobicContact CE1-CD2 4.48Å; F528-Y560 HydrophobicContact CG-CD2 4.32Å; F528-L563 HydrophobicContact CD1-CD1 3.9Å; F528-L563 HydrophobicContact CE1-CD1 3.96Å
529	C	84.9	Confident	72.5	Confident	16 Å²	16	79.1 Å²	79.1	11%	0.108	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.2	179.4	-172.3	0	0	0	0	109.2	T527 H541	T527-C529 PolarHBondContact O-N 2.65Å; C529-H541 WeakPolarHBondContact CA-O 3.16Å
530	V	83	Confident	72.3	Confident	7 Å²	7	78.6 Å²	78.6	4%	0.042	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133	179.2	-172.7	0	0	0	0	110.3	H541 L543 Y564 W567	V530-H541 PolarHBondContact N-O 3.04Å; V530-H541 PolarHBondContact O-N 3.25Å; V530-L543 HydrophobicContact CG2-CD1 3.73Å; V530-L543 HydrophobicContact CG2-CD2 3.77Å; V530-L543 HydrophobicContact CG2-CG 3.77Å; V530-Y564 HydrophobicContact CB-CE2 4.18Å; V530-Y564 HydrophobicContact CG1-CD2 4.43Å; V530-Y564 HydrophobicContact CG1-CE2 3.56Å; V530-Y564 HydrophobicContact CG2-CD2 3.5Å; V530-Y564 VanDerWaalsContact CG2-CD2 3.5Å; V530-Y564 HydrophobicContact CG2-CE2 3.43Å; V530-Y564 VanDerWaalsContact CG2-CE2 3.43Å; V530-Y564 HydrophobicContact CG2-CG 4.44Å; V530-W567 HydrophobicContact CB-CH2 3.99Å; V530-W567 HydrophobicContact CB-CZ2 4.24Å; V530-W567 HydrophobicContact CB-CZ3 4.16Å; V530-W567 HydrophobicContact CG1-CE3 4.23Å; V530-W567 HydrophobicContact CG1-CH2 3.42Å; V530-W567 VanDerWaalsContact CG1-CH2 3.42Å; V530-W567 HydrophobicContact CG1-CZ2 4.14Å; V530-W567 HydrophobicContact CG1-CZ3 3.49Å; V530-W567 VanDerWaalsContact CG1-CZ3 3.49Å
531	E	77.7	Confident	72.3	Confident	120 Å²	120	82.4 Å²	82.4	56%	0.561	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	123.9	171.8	-54.6	-155.4	144.6	0	0	110.5	Q540	E531-Q540 HydrophobicContact CG-CG 3.86Å; E531-Q540 PolarHBondContact OE1-NE2 3.37Å
532	H	71.4	Confident	72.9	Confident	54 Å²	54	82 Å²	82	25%	0.25	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.4	172.7	-176.4	41.6	0	0	0	110.7	A534 S539 W567 R571	H532-A534 PolarHBondContact O-N 3.42Å; H532-S539 PolarHBondContact N-O 3.31Å; H532-S539 PolarHBondContact O-N 3.35Å; H532-W567 HydrophobicContact CB-CH2 3.92Å; H532-W567 HydrophobicContact CB-CZ2 3.9Å; H532-R571 PolarHBondContact CE1-NH2 3.35Å; H532-R571 PolarHBondContact ND1-NH1 2.95Å; H532-R571 PolarHBondContact NE2-NE 2.97Å
533	N	67.1	Low	73.9	Confident	85 Å²	85	77.1 Å²	77.1	46%	0.455	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	105.6	168.5	-177.9	-5.6	0	0	0	109.7	G536 F538	N533-G536 WeakPolarHBondContact OD1-CA 3.49Å; N533-G536 PolarHBondContact OD1-N 3.4Å; N533-F538 HydrophobicContact CB-CD1 4.46Å; N533-F538 HydrophobicContact CB-CE1 4.34Å
534	A	57.3	Low	74.8	Confident	36 Å²	36	74.9 Å²	74.9	30%	0.298	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.1	170.3	0	0	0	0	0	108.9	H532 G536 K537	H532-A534 PolarHBondContact O-N 3.42Å; A534-G536 PolarHBondContact O-N 2.86Å; A534-G536 VanDerWaalsContact O-N 3.13Å; A534-K537 PolarHBondContact N-O 3.23Å; A534-K537 PolarHBondContact O-N 2.86Å
535	F	54.9	Low	75.4	Confident	173 Å²	173	78 Å²	78	76%	0.759	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	31.5	178.3	-58.7	-87.1	0	0	0	115.3	D451 K537	D451-F535 WeakPolarHBondContact OD1-CZ 3.45Å; F535-K537 VanDerWaalsContact C-N 3.32Å
536	G	59.4	Low	76.3	Confident	59 Å²	59	75.4 Å²	75.4	61%	0.608	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-0.5	-178	0	0	0	0	0	114.4	N533 A534	N533-G536 WeakPolarHBondContact OD1-CA 3.49Å; N533-G536 PolarHBondContact OD1-N 3.4Å; A534-G536 PolarHBondContact O-N 2.86Å; A534-G536 VanDerWaalsContact O-N 3.13Å
537	K	61.9	Low	76.5	Confident	163 Å²	163	72 Å²	72	71%	0.709	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.9	172.2	-170.4	177.6	-178.6	-177.8	0	109.2	A534 F535 S539	A534-K537 PolarHBondContact N-O 3.23Å; A534-K537 PolarHBondContact O-N 2.86Å; F535-K537 VanDerWaalsContact C-N 3.32Å; K537-S539 PolarHBondContact O-N 3.16Å
538	F	70.6	Confident	76.5	Confident	146 Å²	146	76.1 Å²	76.1	64%	0.64	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	122.1	169.9	-66.6	-91.2	0	0	0	109.1	N533	N533-F538 HydrophobicContact CB-CD1 4.46Å; N533-F538 HydrophobicContact CB-CE1 4.34Å
539	S	70.9	Confident	76.5	Confident	69 Å²	69	82.1 Å²	82.1	48%	0.483	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125	173.4	-173.5	0	0	0	0	108.3	H532 K537	H532-S539 PolarHBondContact N-O 3.31Å; H532-S539 PolarHBondContact O-N 3.35Å; K537-S539 PolarHBondContact O-N 3.16Å
540	Q	79.8	Confident	76.6	Confident	86 Å²	86	83.8 Å²	83.8	40%	0.402	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.7	172.3	-91.6	-175	8.1	0	0	109.6	E531	E531-Q540 HydrophobicContact CG-CG 3.86Å; E531-Q540 PolarHBondContact OE1-NE2 3.37Å
541	H	83.1	Confident	76.8	Confident	85 Å²	85	87.1 Å²	87.1	39%	0.394	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.8	179	-179.2	-70.2	0	0	0	110.2	C529 V530 W567	C529-H541 WeakPolarHBondContact CA-O 3.16Å; V530-H541 PolarHBondContact N-O 3.04Å; V530-H541 PolarHBondContact O-N 3.25Å; H541-W567 HydrophobicContact CB-CZ2 4.31Å; H541-W567 AromaticContact CD2-NE1 3.48Å; H541-W567 PolarHBondContact CD2-NE1 2.74Å; H541-W567 AromaticContact CE1-CD1 3.39Å; H541-W567 AromaticContact CE1-NE1 3.63Å; H541-W567 AromaticContact CG-CD1 3.8Å; H541-W567 AromaticContact CG-NE1 3.2Å; H541-W567 AromaticContact ND1-CD1 3.39Å; H541-W567 AromaticContact ND1-NE1 3.29Å; H541-W567 PolarHBondContact ND1-NE1 2.8Å; H541-W567 AromaticContact NE2-CD1 3.74Å; H541-W567 AromaticContact NE2-NE1 3.72Å
542	E	87.6	Confident	77.3	Confident	75 Å²	75	82 Å²	82	35%	0.35	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.8	175.3	-57	-163.7	161.1	0	0	110.8	K544 N546 G547 R548	E542-K544 VanDerWaalsContact C-N 3.29Å; E542-K544 PolarHBondContact O-N 2.81Å; E542-N546 WeakPolarHBondContact OE2-CA 3.41Å; E542-N546 PolarHBondContact OE2-N 2.88Å; E542-N546 VanDerWaalsContact OE2-N 3.14Å; E542-G547 PolarHBondContact OE2-N 3.46Å; E542-G547 VanDerWaalsContact OE2-N 3.13Å; E542-R548 HydrophobicContact CG-CB 4.49Å; E542-R548 WeakPolarHBondContact OE1-CB 3.38Å; E542-R548 PolarHBondContact OE1-N 3.04Å
543	L	86.1	Confident	78.1	Confident	18 Å²	18	82 Å²	82	9%	0.094	43%	0.433	C	S	.	.	S	Bend	trans	-74.3	-20.7	-179.8	-70.1	179.7	0	0	0	113.3	F528 V530 Y560 L563 Y564 W567	F528-L543 HydrophobicContact CB-CB 4.45Å; F528-L543 PolarHBondContact O-N 3.43Å; V530-L543 HydrophobicContact CG2-CD1 3.73Å; V530-L543 HydrophobicContact CG2-CD2 3.77Å; V530-L543 HydrophobicContact CG2-CG 3.77Å; L543-Y560 HydrophobicContact CD1-CD2 3.76Å; L543-Y560 HydrophobicContact CD1-CE2 3.68Å; L543-L563 HydrophobicContact CB-CB 4Å; L543-L563 HydrophobicContact CB-CD1 4.28Å; L543-L563 HydrophobicContact CD1-CB 4.23Å; L543-L563 HydrophobicContact CG-CB 4.49Å; L543-Y564 HydrophobicContact CD1-CD2 4.41Å; L543-W567 HydrophobicContact CD2-CB 3.68Å; L543-W567 HydrophobicContact CD2-CD2 4.45Å; L543-W567 HydrophobicContact CD2-CG 3.9Å
544	K	85.9	Confident	78.9	Confident	42 Å²	42	81.4 Å²	81.4	18%	0.183	43%	0.427	C	S	.	.	S	Bend	trans	-151.4	162.5	175.3	67.8	-170	-171.1	-171.2	0	109.5	F528 E542 N546 G547 I550 E559 L563	F528-K544 HydrophobicContact CB-CD 4.45Å; F528-K544 HydrophobicContact CB-CG 4.13Å; F528-K544 HydrophobicContact CD1-CD 3.54Å; F528-K544 VanDerWaalsContact CD1-CE 3.46Å; F528-K544 HydrophobicContact CD1-CG 4.02Å; F528-K544 HydrophobicContact CE1-CD 3.9Å; F528-K544 VanDerWaalsContact CE1-NZ 3.25Å; F528-K544 HydrophobicContact CG-CD 4.05Å; F528-K544 HydrophobicContact CG-CG 4.28Å; F528-K544 VanDerWaalsContact CZ-NZ 3.28Å; E542-K544 VanDerWaalsContact C-N 3.29Å; E542-K544 PolarHBondContact O-N 2.81Å; K544-N546 PolarHBondContact O-N 3.49Å; K544-G547 WeakPolarHBondContact O-CA 3.43Å; K544-G547 PolarHBondContact O-N 2.81Å; K544-I550 HydrophobicContact CD-CD1 4.49Å; K544-I550 HydrophobicContact CG-CD1 4.43Å; K544-E559 WeakPolarHBondContact CD-OE1 3.38Å; K544-E559 IonicContact NZ-OE1 3.39Å; K544-E559 PolarHBondContact NZ-OE1 2.8Å; K544-E559 IonicContact NZ-OE2 2.7Å; K544-E559 PolarHBondContact NZ-OE2 2.7Å; K544-L563 HydrophobicContact CB-CD1 4.12Å; K544-L563 HydrophobicContact CD-CD1 4.03Å; K544-L563 HydrophobicContact CG-CD1 4.48Å
545	P	85.4	Confident	80.4	Confident	116 Å²	116	88.5 Å²	88.5	75%	0.753	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	133	-180	-26	35.3	0	0	0	112.3	G547	P545-G547 PolarHBondContact O-N 2.8Å
546	N	85.9	Confident	82	Confident	112 Å²	112	81.6 Å²	81.6	60%	0.599	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	23.4	-173.4	-57.7	-39.3	0	0	0	114	E542 K544 R548 N549	E542-N546 WeakPolarHBondContact OE2-CA 3.41Å; E542-N546 PolarHBondContact OE2-N 2.88Å; E542-N546 VanDerWaalsContact OE2-N 3.14Å; K544-N546 PolarHBondContact O-N 3.49Å; N546-R548 PolarHBondContact O-N 2.79Å; N546-R548 VanDerWaalsContact O-N 3.15Å; N546-N549 PolarHBondContact O-N 3.49Å
547	G	84.2	Confident	83.4	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-59.6	-29.8	-171.4	0	0	0	0	0	114.2	F528 E542 K544 P545 N549 I550	F528-G547 CarbonylContact C-O 3.45Å; F528-G547 WeakPolarHBondContact CA-O 3.3Å; F528-G547 WeakPolarHBondContact CB-O 3.45Å; F528-G547 PolarHBondContact N-O 2.86Å; F528-G547 CarbonylContact O-C 3.59Å; F528-G547 WeakPolarHBondContact O-CA 3.37Å; E542-G547 PolarHBondContact OE2-N 3.46Å; E542-G547 VanDerWaalsContact OE2-N 3.13Å; K544-G547 WeakPolarHBondContact O-CA 3.43Å; K544-G547 PolarHBondContact O-N 2.81Å; P545-G547 PolarHBondContact O-N 2.8Å; G547-N549 PolarHBondContact O-N 2.92Å; G547-I550 PolarHBondContact O-N 2.92Å
548	R	84.2	Confident	84.7	Confident	136 Å²	136	79.1 Å²	79.1	51%	0.513	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-61.2	-27.4	174.6	179.7	-176.1	-91.8	168.1	-9	113.4	T527 E542 N546	T527-R548 WeakPolarHBondContact CG2-O 3.49Å; E542-R548 HydrophobicContact CG-CB 4.49Å; E542-R548 WeakPolarHBondContact OE1-CB 3.38Å; E542-R548 PolarHBondContact OE1-N 3.04Å; N546-R548 PolarHBondContact O-N 2.79Å; N546-R548 VanDerWaalsContact O-N 3.15Å
549	N	85.5	Confident	85.6	Confident	127 Å²	127	75.5 Å²	75.5	68%	0.679	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-95.3	-1.5	-178.7	-61.9	-27.8	0	0	0	113	N546 G547	N546-N549 PolarHBondContact O-N 3.49Å; G547-N549 PolarHBondContact O-N 2.92Å
550	I	87.4	Confident	86.5	Confident	51 Å²	51	72.7 Å²	72.7	26%	0.262	36%	0.361	S	S	.	.	S	Bend	trans	-107	111.2	-175.8	-58.7	171.7	0	0	0	107.8	T527 F528 K544 G547	T527-I550 CarbonylContact C-O 3.58Å; T527-I550 WeakPolarHBondContact CA-O 3.15Å; T527-I550 WeakPolarHBondContact CB-O 3.34Å; F528-I550 HydrophobicContact CD2-CB 4.1Å; F528-I550 HydrophobicContact CD2-CG2 3.67Å; F528-I550 WeakPolarHBondContact CD2-O 3.31Å; F528-I550 HydrophobicContact CE2-CG2 3.91Å; F528-I550 PolarHBondContact N-O 2.88Å; K544-I550 HydrophobicContact CD-CD1 4.49Å; K544-I550 HydrophobicContact CG-CD1 4.43Å; G547-I550 PolarHBondContact O-N 2.92Å
551	P	87.1	Confident	86.9	Confident	76 Å²	76	68.9 Å²	68.9	49%	0.494	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-71.1	150.2	175.6	30.2	-34.4	0	0	0	111	N556	P551-N556 PolarHBondContact O-ND2 2.79Å
552	V	87.2	Confident	87.1	Confident	14 Å²	14	72.1 Å²	72.1	9%	0.085	35%	0.353	C	S	.	.			trans	-80.9	126.8	170.8	-171.2	0	0	0	0	108.5	I520 H526 F528 N556 K557 Y560	I520-V552 HydrophobicContact CD1-CB 4.29Å; I520-V552 HydrophobicContact CD1-CG1 3.69Å; H526-V552 HydrophobicContact CB-CB 4.14Å; H526-V552 HydrophobicContact CB-CG2 3.82Å; H526-V552 PolarHBondContact O-N 2.79Å; F528-V552 HydrophobicContact CD2-CG2 4.03Å; F528-V552 HydrophobicContact CE2-CG2 4.06Å; V552-N556 VanDerWaalsContact CA-OD1 3.27Å; V552-N556 WeakPolarHBondContact CA-OD1 3.15Å; V552-K557 HydrophobicContact CG1-CB 4.02Å; V552-Y560 HydrophobicContact CG1-CD1 4.17Å; V552-Y560 HydrophobicContact CG1-CG 3.95Å; V552-Y560 HydrophobicContact CG2-CD1 4.3Å; V552-Y560 HydrophobicContact CG2-CD2 3.47Å; V552-Y560 VanDerWaalsContact CG2-CD2 3.47Å; V552-Y560 HydrophobicContact CG2-CE2 3.89Å; V552-Y560 HydrophobicContact CG2-CG 3.7Å
553	T	87.7	Confident	87.1	Confident	54 Å²	54	69.8 Å²	69.8	33%	0.331	34%	0.343	S	S	.	.			trans	-127.3	164.2	-177.6	68.4	0	0	0	0	110.2	E555 N556 K557	T553-E555 PolarHBondContact O-N 3.19Å; T553-E555 VanDerWaalsContact O-N 3.15Å; T553-N556 PolarHBondContact N-OD1 3.08Å; T553-N556 CarbonylContact O-C 3.51Å; T553-N556 PolarHBondContact O-N 3.39Å; T553-N556 PolarHBondContact O-OD1 2.71Å; T553-N556 PolarHBondContact OG1-ND2 3.34Å; T553-K557 WeakPolarHBondContact O-CB 3.39Å; T553-K557 PolarHBondContact O-N 2.97Å
554	E	85.6	Confident	87.2	Confident	71 Å²	71	70.8 Å²	70.8	33%	0.332	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-37.8	176.4	-82.1	-61.9	121.1	0	0	113.6	D519 I520 K557	D519-E554 WeakPolarHBondContact CA-OE1 3.08Å; I520-E554 WeakPolarHBondContact CG1-OE1 3.01Å; I520-E554 PolarHBondContact N-OE1 3.29Å; E554-K557 WeakPolarHBondContact OE1-CD 3.29Å; E554-K557 WeakPolarHBondContact OE1-CE 3.42Å; E554-K557 IonicContact OE1-NZ 3.58Å; E554-K557 PolarHBondContact OE1-NZ 3.13Å; E554-K557 WeakPolarHBondContact OE2-CE 3.47Å; E554-K557 IonicContact OE2-NZ 2.82Å; E554-K557 PolarHBondContact OE2-NZ 2.98Å
555	E	87	Confident	87.1	Confident	185 Å²	185	68.9 Å²	68.9	86%	0.864	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-35.6	178.2	-61.1	-179.4	169.7	0	0	112.8	T553	T553-E555 PolarHBondContact O-N 3.19Å; T553-E555 VanDerWaalsContact O-N 3.15Å
556	N	90.2	Very high	87.1	Confident	29 Å²	29	67 Å²	67	16%	0.155	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-6.2	-171.6	80.1	31.7	0	0	0	114.4	F528 P551 V552 T553 K558 E559 Y560	F528-N556 HydrophobicContact CE2-CB 4.41Å; F528-N556 WeakPolarHBondContact CE2-OD1 3.34Å; F528-N556 HydrophobicContact CZ-CB 4.11Å; P551-N556 PolarHBondContact O-ND2 2.79Å; V552-N556 VanDerWaalsContact CA-OD1 3.27Å; V552-N556 WeakPolarHBondContact CA-OD1 3.15Å; T553-N556 PolarHBondContact N-OD1 3.08Å; T553-N556 CarbonylContact O-C 3.51Å; T553-N556 PolarHBondContact O-N 3.39Å; T553-N556 PolarHBondContact O-OD1 2.71Å; T553-N556 PolarHBondContact OG1-ND2 3.34Å; N556-K558 PolarHBondContact O-N 3.36Å; N556-K558 VanDerWaalsContact O-N 3.13Å; N556-E559 WeakPolarHBondContact O-CA 3.22Å; N556-E559 VanDerWaalsContact O-CB 3.27Å; N556-E559 WeakPolarHBondContact O-CB 3.04Å; N556-E559 PolarHBondContact O-N 3.07Å; N556-Y560 PolarHBondContact O-N 2.91Å
557	K	88.8	Confident	87.1	Confident	11 Å²	11	62.4 Å²	62.4	5%	0.048	30%	0.295	C	S	.	.	H	α-helix	trans	-57.8	-31.2	-177.8	71.6	-173.6	-171.3	177.6	0	113.8	I515 L516 N518 I520 V552 T553 E554 E559 Y560 V561	I515-K557 HydrophobicContact CG2-CB 4.26Å; I515-K557 VanDerWaalsContact O-CD 3.26Å; I515-K557 WeakPolarHBondContact O-CD 3.42Å; I515-K557 WeakPolarHBondContact O-CE 3.36Å; I515-K557 PolarHBondContact O-NZ 3.4Å; I515-K557 VanDerWaalsContact O-NZ 3.15Å; L516-K557 HydrophobicContact CD2-CG 4.4Å; L516-K557 WeakPolarHBondContact O-CE 3.23Å; L516-K557 PolarHBondContact O-NZ 3.18Å; N518-K557 PolarHBondContact O-NZ 3.29Å; I520-K557 HydrophobicContact CD1-CB 4.04Å; I520-K557 HydrophobicContact CD1-CD 4.33Å; I520-K557 HydrophobicContact CG1-CD 4.42Å; I520-K557 HydrophobicContact CG2-CD 4.47Å; V552-K557 HydrophobicContact CG1-CB 4.02Å; T553-K557 WeakPolarHBondContact O-CB 3.39Å; T553-K557 PolarHBondContact O-N 2.97Å; E554-K557 WeakPolarHBondContact OE1-CD 3.29Å; E554-K557 WeakPolarHBondContact OE1-CE 3.42Å; E554-K557 IonicContact OE1-NZ 3.58Å; E554-K557 PolarHBondContact OE1-NZ 3.13Å; E554-K557 WeakPolarHBondContact OE2-CE 3.47Å; E554-K557 IonicContact OE2-NZ 2.82Å; E554-K557 PolarHBondContact OE2-NZ 2.98Å; K557-E559 PolarHBondContact O-N 3.14Å; K557-Y560 PolarHBondContact O-N 3.32Å; K557-V561 WeakPolarHBondContact O-CG2 3.36Å; K557-V561 PolarHBondContact O-N 2.84Å
558	K	88.8	Confident	87.1	Confident	158 Å²	158	64.9 Å²	64.9	69%	0.687	31%	0.305	S	S	*	.	H	α-helix	trans	-63.2	-38.1	172.1	-68.8	176.8	-179.7	172.7	0	112.6	L516 N556 R562	L516-K558 HydrophobicContact CD2-CG 4Å; N556-K558 PolarHBondContact O-N 3.36Å; N556-K558 VanDerWaalsContact O-N 3.13Å; K558-R562 WeakPolarHBondContact O-CB 3.49Å; K558-R562 PolarHBondContact O-N 3.01Å
559	E	89.9	Confident	87	Confident	70 Å²	70	59.4 Å²	59.4	33%	0.327	29%	0.285	S	S	.	.	H	α-helix	trans	-69.5	-45.3	174.7	-168	-155.9	163.4	0	0	110.6	F528 K544 N556 K557 R562 L563	F528-E559 HydrophobicContact CE1-CB 4.22Å; F528-E559 HydrophobicContact CE1-CG 4.14Å; F528-E559 HydrophobicContact CZ-CB 4.33Å; K544-E559 WeakPolarHBondContact CD-OE1 3.38Å; K544-E559 IonicContact NZ-OE1 3.39Å; K544-E559 PolarHBondContact NZ-OE1 2.8Å; K544-E559 IonicContact NZ-OE2 2.7Å; K544-E559 PolarHBondContact NZ-OE2 2.7Å; N556-E559 WeakPolarHBondContact O-CA 3.22Å; N556-E559 VanDerWaalsContact O-CB 3.27Å; N556-E559 WeakPolarHBondContact O-CB 3.04Å; N556-E559 PolarHBondContact O-N 3.07Å; K557-E559 PolarHBondContact O-N 3.14Å; E559-R562 PolarHBondContact O-N 3.1Å; E559-L563 HydrophobicContact CG-CD1 4.07Å; E559-L563 WeakPolarHBondContact O-CG 3.37Å; E559-L563 PolarHBondContact O-N 3.21Å
560	Y	89.1	Confident	86.8	Confident	10 Å²	10	55 Å²	55	4%	0.039	26%	0.26	C	S	.	.	H	α-helix	trans	-55.5	-53	176.8	173.9	-101.7	0	0	0	111.5	I515 T527 F528 L543 V552 N556 K557 R562 L563 Y564	I515-Y560 HydrophobicContact CD1-CE1 4.41Å; T527-Y560 WeakPolarHBondContact O-CE2 3.48Å; F528-Y560 HydrophobicContact CD1-CD2 4.24Å; F528-Y560 HydrophobicContact CE1-CD2 4.48Å; F528-Y560 HydrophobicContact CG-CD2 4.32Å; L543-Y560 HydrophobicContact CD1-CD2 3.76Å; L543-Y560 HydrophobicContact CD1-CE2 3.68Å; V552-Y560 HydrophobicContact CG1-CD1 4.17Å; V552-Y560 HydrophobicContact CG1-CG 3.95Å; V552-Y560 HydrophobicContact CG2-CD1 4.3Å; V552-Y560 HydrophobicContact CG2-CD2 3.47Å; V552-Y560 VanDerWaalsContact CG2-CD2 3.47Å; V552-Y560 HydrophobicContact CG2-CE2 3.89Å; V552-Y560 HydrophobicContact CG2-CG 3.7Å; N556-Y560 PolarHBondContact O-N 2.91Å; K557-Y560 PolarHBondContact O-N 3.32Å; Y560-R562 PolarHBondContact O-N 3.34Å; Y560-L563 PolarHBondContact O-N 3.45Å; Y560-Y564 HydrophobicContact CE1-CD2 4.2Å; Y560-Y564 HydrophobicContact CE2-CD2 4.38Å; Y560-Y564 AromaticContact CZ-CD2 3.8Å; Y560-Y564 WeakPolarHBondContact O-CB 3.27Å; Y560-Y564 PolarHBondContact O-N 3.37Å
561	V	88.5	Confident	86.6	Confident	6 Å²	6	56.1 Å²	56.1	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-43.6	179	172	0	0	0	0	111.5	L498 L512 I515 L516 K557 L563 Y564 V565	L498-V561 HydrophobicContact CD1-CG1 4.25Å; L498-V561 HydrophobicContact CD2-CG1 4.25Å; L512-V561 HydrophobicContact CB-CG1 4.09Å; L512-V561 HydrophobicContact CB-CG2 4.5Å; L512-V561 HydrophobicContact CD1-CG1 4.49Å; L512-V561 HydrophobicContact CD2-CG2 4.18Å; I515-V561 HydrophobicContact CG2-CG2 3.94Å; L516-V561 HydrophobicContact CD1-CG1 4.22Å; L516-V561 HydrophobicContact CD2-CB 4.23Å; L516-V561 HydrophobicContact CD2-CG2 3.89Å; L516-V561 HydrophobicContact CG-CG1 4.49Å; L516-V561 HydrophobicContact CG-CG2 4.08Å; K557-V561 WeakPolarHBondContact O-CG2 3.36Å; K557-V561 PolarHBondContact O-N 2.84Å; V561-L563 PolarHBondContact O-N 3.12Å; V561-Y564 PolarHBondContact O-N 3.31Å; V561-V565 HydrophobicContact CG1-CG2 4.37Å; V561-V565 WeakPolarHBondContact O-CG2 3.46Å; V561-V565 PolarHBondContact O-N 3.1Å
562	R	86.8	Confident	86.3	Confident	154 Å²	154	54.6 Å²	54.6	58%	0.581	26%	0.259	S	S	*	.	H	α-helix	trans	-60.1	-44.7	177	-174.9	-173.6	67.4	89.4	1.8	112.3	K558 E559 Y560 N566	K558-R562 WeakPolarHBondContact O-CB 3.49Å; K558-R562 PolarHBondContact O-N 3.01Å; E559-R562 PolarHBondContact O-N 3.1Å; Y560-R562 PolarHBondContact O-N 3.34Å; R562-N566 PolarHBondContact O-N 2.68Å; R562-N566 VanDerWaalsContact O-N 3.13Å
563	L	87.9	Confident	86.3	Confident	25 Å²	25	54.8 Å²	54.8	13%	0.131	26%	0.26	C	S	.	.	H	α-helix	trans	-69.3	-38.7	178.3	-67.9	171.5	0	0	0	111.6	F528 L543 K544 E559 Y560 V561 N566 W567	F528-L563 HydrophobicContact CD1-CD1 3.9Å; F528-L563 HydrophobicContact CE1-CD1 3.96Å; L543-L563 HydrophobicContact CB-CB 4Å; L543-L563 HydrophobicContact CB-CD1 4.28Å; L543-L563 HydrophobicContact CD1-CB 4.23Å; L543-L563 HydrophobicContact CG-CB 4.49Å; K544-L563 HydrophobicContact CB-CD1 4.12Å; K544-L563 HydrophobicContact CD-CD1 4.03Å; K544-L563 HydrophobicContact CG-CD1 4.48Å; E559-L563 HydrophobicContact CG-CD1 4.07Å; E559-L563 WeakPolarHBondContact O-CG 3.37Å; E559-L563 PolarHBondContact O-N 3.21Å; Y560-L563 PolarHBondContact O-N 3.45Å; V561-L563 PolarHBondContact O-N 3.12Å; L563-N566 PolarHBondContact O-N 2.84Å; L563-W567 WeakPolarHBondContact O-CB 3.26Å; L563-W567 PolarHBondContact O-N 3.36Å
564	Y	87.9	Confident	86.3	Confident	39 Å²	39	56.9 Å²	56.9	15%	0.153	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-47.9	176.2	-162.5	-65.3	0	0	0	111.3	L508 L512 V530 L543 Y560 V561 W567 R568	L508-Y564 HydrophobicContact CD1-CE1 3.72Å; L508-Y564 HydrophobicContact CD2-CD1 4.41Å; L508-Y564 HydrophobicContact CD2-CE1 3.77Å; L508-Y564 HydrophobicContact CG-CE1 4.25Å; L512-Y564 HydrophobicContact CD1-CD1 4.07Å; L512-Y564 HydrophobicContact CD2-CD1 4.29Å; L512-Y564 HydrophobicContact CD2-CG 4.17Å; V530-Y564 HydrophobicContact CB-CE2 4.18Å; V530-Y564 HydrophobicContact CG1-CD2 4.43Å; V530-Y564 HydrophobicContact CG1-CE2 3.56Å; V530-Y564 HydrophobicContact CG2-CD2 3.5Å; V530-Y564 VanDerWaalsContact CG2-CD2 3.5Å; V530-Y564 HydrophobicContact CG2-CE2 3.43Å; V530-Y564 VanDerWaalsContact CG2-CE2 3.43Å; V530-Y564 HydrophobicContact CG2-CG 4.44Å; L543-Y564 HydrophobicContact CD1-CD2 4.41Å; Y560-Y564 HydrophobicContact CE1-CD2 4.2Å; Y560-Y564 HydrophobicContact CE2-CD2 4.38Å; Y560-Y564 AromaticContact CZ-CD2 3.8Å; Y560-Y564 WeakPolarHBondContact O-CB 3.27Å; Y560-Y564 PolarHBondContact O-N 3.37Å; V561-Y564 PolarHBondContact O-N 3.31Å; Y564-W567 HydrophobicContact CE1-CE3 4.39Å; Y564-W567 HydrophobicContact CE1-CZ3 4.29Å; Y564-W567 PolarHBondContact O-N 3.44Å; Y564-R568 HydrophobicContact CD1-CB 4.5Å; Y564-R568 VanDerWaalsContact O-CB 3.31Å; Y564-R568 WeakPolarHBondContact O-CB 3.35Å; Y564-R568 PolarHBondContact O-N 3.25Å
565	V	84.8	Confident	86.6	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-47.4	176.8	171.9	0	0	0	0	110.5	I496 L498 L501 L512 V561 W567 R568 F569	I496-V565 HydrophobicContact CB-CG1 4.42Å; I496-V565 HydrophobicContact CG2-CG1 3.97Å; L498-V565 HydrophobicContact CD1-CG2 3.96Å; L501-V565 HydrophobicContact CD2-CG2 4.42Å; L512-V565 HydrophobicContact CD1-CG2 3.83Å; V561-V565 HydrophobicContact CG1-CG2 4.37Å; V561-V565 WeakPolarHBondContact O-CG2 3.46Å; V561-V565 PolarHBondContact O-N 3.1Å; V565-W567 PolarHBondContact O-N 2.9Å; V565-R568 PolarHBondContact O-N 3.21Å; V565-F569 HydrophobicContact CG1-CD2 4.09Å; V565-F569 HydrophobicContact CG1-CE2 4.14Å; V565-F569 WeakPolarHBondContact O-CD2 3.43Å; V565-F569 PolarHBondContact O-N 3.04Å
566	N	85.1	Confident	86.8	Confident	76 Å²	76	47.5 Å²	47.5	41%	0.406	23%	0.23	S	C	.	.	H	α-helix	trans	-59.5	-47.6	177.8	-173.2	71.6	0	0	0	111.8	R562 L563 R568 F569 M570	R562-N566 PolarHBondContact O-N 2.68Å; R562-N566 VanDerWaalsContact O-N 3.13Å; L563-N566 PolarHBondContact O-N 2.84Å; N566-R568 PolarHBondContact O-N 2.94Å; N566-F569 PolarHBondContact O-N 2.97Å; N566-M570 WeakPolarHBondContact O-CB 3.4Å; N566-M570 VanDerWaalsContact O-CG 3.27Å; N566-M570 WeakPolarHBondContact O-CG 3.45Å; N566-M570 PolarHBondContact O-N 2.93Å
567	W	86.3	Confident	86.9	Confident	15 Å²	15	46.4 Å²	46.4	6%	0.057	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-44.4	175.6	174	84.4	0	0	0	112.4	V530 H532 H541 L543 L563 Y564 V565 F569 M570 R571	V530-W567 HydrophobicContact CB-CH2 3.99Å; V530-W567 HydrophobicContact CB-CZ2 4.24Å; V530-W567 HydrophobicContact CB-CZ3 4.16Å; V530-W567 HydrophobicContact CG1-CE3 4.23Å; V530-W567 HydrophobicContact CG1-CH2 3.42Å; V530-W567 VanDerWaalsContact CG1-CH2 3.42Å; V530-W567 HydrophobicContact CG1-CZ2 4.14Å; V530-W567 HydrophobicContact CG1-CZ3 3.49Å; V530-W567 VanDerWaalsContact CG1-CZ3 3.49Å; H532-W567 HydrophobicContact CB-CH2 3.92Å; H532-W567 HydrophobicContact CB-CZ2 3.9Å; H541-W567 HydrophobicContact CB-CZ2 4.31Å; H541-W567 AromaticContact CD2-NE1 3.48Å; H541-W567 PolarHBondContact CD2-NE1 2.74Å; H541-W567 AromaticContact CE1-CD1 3.39Å; H541-W567 AromaticContact CE1-NE1 3.63Å; H541-W567 AromaticContact CG-CD1 3.8Å; H541-W567 AromaticContact CG-NE1 3.2Å; H541-W567 AromaticContact ND1-CD1 3.39Å; H541-W567 AromaticContact ND1-NE1 3.29Å; H541-W567 PolarHBondContact ND1-NE1 2.8Å; H541-W567 AromaticContact NE2-CD1 3.74Å; H541-W567 AromaticContact NE2-NE1 3.72Å; L543-W567 HydrophobicContact CD2-CB 3.68Å; L543-W567 HydrophobicContact CD2-CD2 4.45Å; L543-W567 HydrophobicContact CD2-CG 3.9Å; L563-W567 WeakPolarHBondContact O-CB 3.26Å; L563-W567 PolarHBondContact O-N 3.36Å; Y564-W567 HydrophobicContact CE1-CE3 4.39Å; Y564-W567 HydrophobicContact CE1-CZ3 4.29Å; Y564-W567 PolarHBondContact O-N 3.44Å; V565-W567 PolarHBondContact O-N 2.9Å; W567-F569 PolarHBondContact O-N 2.93Å; W567-M570 PolarHBondContact O-N 3.25Å; W567-R571 HydrophobicContact CZ2-CG 4.31Å; W567-R571 VanDerWaalsContact CZ3-NH1 3.33Å; W567-R571 WeakPolarHBondContact O-CB 3.41Å; W567-R571 PolarHBondContact O-N 3.41Å
568	R	84.1	Confident	87.1	Confident	52 Å²	52	50.9 Å²	50.9	20%	0.196	25%	0.248	C	C	.	.	H	α-helix	trans	-58.7	-30	-179.4	173.5	61.1	-177	79.3	3.1	113.3	L501 D505 L508 Y564 V565 N566	L501-R568 HydrophobicContact CD1-CG 3.94Å; D505-R568 IonicContact OD2-CZ 3.41Å; D505-R568 VanDerWaalsContact OD2-CZ 3.27Å; D505-R568 IonicContact OD2-NE 2.73Å; D505-R568 PolarHBondContact OD2-NE 3.35Å; D505-R568 IonicContact OD2-NH2 2.84Å; D505-R568 PolarHBondContact OD2-NH2 3.19Å; L508-R568 HydrophobicContact CD2-CB 4.43Å; L508-R568 HydrophobicContact CD2-CG 3.72Å; Y564-R568 HydrophobicContact CD1-CB 4.5Å; Y564-R568 VanDerWaalsContact O-CB 3.31Å; Y564-R568 WeakPolarHBondContact O-CB 3.35Å; Y564-R568 PolarHBondContact O-N 3.25Å; V565-R568 PolarHBondContact O-N 3.21Å; N566-R568 PolarHBondContact O-N 2.94Å
569	F	80.5	Confident	87.4	Confident	22 Å²	22	44.1 Å²	44.1	10%	0.096	22%	0.222	C	C	.	.	H	α-helix	trans	-94.5	-28.2	176.8	-76.8	-70.3	0	0	0	114.1	P486 I496 L501 T504 V565 N566 W567 I573	P486-F569 HydrophobicContact CB-CD1 3.9Å; P486-F569 HydrophobicContact CB-CE1 3.9Å; P486-F569 HydrophobicContact CB-CG 4.37Å; P486-F569 HydrophobicContact CB-CZ 4.34Å; P486-F569 HydrophobicContact CG-CD1 3.98Å; P486-F569 HydrophobicContact CG-CE1 3.43Å; P486-F569 VanDerWaalsContact CG-CE1 3.43Å; P486-F569 HydrophobicContact CG-CE2 4.31Å; P486-F569 HydrophobicContact CG-CZ 3.61Å; I496-F569 HydrophobicContact CD1-CB 3.5Å; I496-F569 HydrophobicContact CD1-CD2 4Å; I496-F569 HydrophobicContact CD1-CG 3.9Å; I496-F569 HydrophobicContact CG2-CD2 3.66Å; I496-F569 HydrophobicContact CG2-CE2 3.77Å; I496-F569 HydrophobicContact CG2-CG 4.46Å; L501-F569 HydrophobicContact CB-CE2 4.3Å; L501-F569 HydrophobicContact CD1-CE2 3.74Å; L501-F569 HydrophobicContact CD1-CZ 3.8Å; T504-F569 HydrophobicContact CG2-CE1 4.01Å; T504-F569 HydrophobicContact CG2-CZ 4.48Å; V565-F569 HydrophobicContact CG1-CD2 4.09Å; V565-F569 HydrophobicContact CG1-CE2 4.14Å; V565-F569 WeakPolarHBondContact O-CD2 3.43Å; V565-F569 PolarHBondContact O-N 3.04Å; N566-F569 PolarHBondContact O-N 2.97Å; W567-F569 PolarHBondContact O-N 2.93Å; F569-I573 WeakPolarHBondContact O-CD1 3.48Å; F569-I573 VanDerWaalsContact O-CG1 3.29Å; F569-I573 WeakPolarHBondContact O-CG1 3.43Å
570	M	82.8	Confident	87.6	Confident	34 Å²	34	40.8 Å²	40.8	17%	0.167	21%	0.206	C	C	.	.	H	α-helix	trans	-88.1	-27.4	-179.6	-67.3	-61.7	-69.8	0	0	113.5	Q490 N566 W567 G572 I573 E574	Q490-M570 PolarHBondContact NE2-SD 2.61Å; N566-M570 WeakPolarHBondContact O-CB 3.4Å; N566-M570 VanDerWaalsContact O-CG 3.27Å; N566-M570 WeakPolarHBondContact O-CG 3.45Å; N566-M570 PolarHBondContact O-N 2.93Å; W567-M570 PolarHBondContact O-N 3.25Å; M570-G572 PolarHBondContact O-N 2.71Å; M570-G572 VanDerWaalsContact O-N 3.1Å; M570-I573 WeakPolarHBondContact O-CG1 3.33Å; M570-I573 PolarHBondContact O-N 2.84Å; M570-E574 HydrophobicContact CB-CG 4.06Å; M570-E574 HydrophobicContact CE-CB 4.27Å; M570-E574 HydrophobicContact CE-CG 4.08Å; M570-E574 WeakPolarHBondContact O-CG 3.2Å; M570-E574 PolarHBondContact O-N 2.81Å
571	R	83.2	Confident	87.8	Confident	75 Å²	75	42.1 Å²	42.1	28%	0.283	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	114.7	-173.3	-177.3	-174	77.7	-148.2	1	112.8	H532 W567 I573	H532-R571 PolarHBondContact CE1-NH2 3.35Å; H532-R571 PolarHBondContact ND1-NH1 2.95Å; H532-R571 PolarHBondContact NE2-NE 2.97Å; W567-R571 HydrophobicContact CZ2-CG 4.31Å; W567-R571 VanDerWaalsContact CZ3-NH1 3.33Å; W567-R571 WeakPolarHBondContact O-CB 3.41Å; W567-R571 PolarHBondContact O-N 3.41Å; R571-I573 PolarHBondContact O-N 3.02Å
572	G	79.3	Confident	88.1	Confident	44 Å²	44	48 Å²	48	45%	0.454	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	3.4	175.8	0	0	0	0	0	114.8	M570 Q576	M570-G572 PolarHBondContact O-N 2.71Å; M570-G572 VanDerWaalsContact O-N 3.1Å; G572-Q576 PolarHBondContact O-NE2 3.03Å; G572-Q576 PolarHBondContact O-OE1 2.79Å
573	I	87.9	Confident	88.5	Confident	17 Å²	17	40.6 Å²	40.6	9%	0.087	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-0.6	176	73	161	0	0	0	113.9	I448 P450 F569 M570 R571 A575 Q576 F577	I448-I573 HydrophobicContact CB-CB 4.23Å; I448-I573 HydrophobicContact CB-CD1 4.35Å; I448-I573 HydrophobicContact CB-CG2 4.01Å; I448-I573 HydrophobicContact CD1-CD1 4.43Å; I448-I573 HydrophobicContact CG2-CB 3.87Å; I448-I573 HydrophobicContact CG2-CG2 3.69Å; P450-I573 HydrophobicContact CB-CG2 4.25Å; P450-I573 HydrophobicContact CG-CG2 4Å; F569-I573 WeakPolarHBondContact O-CD1 3.48Å; F569-I573 VanDerWaalsContact O-CG1 3.29Å; F569-I573 WeakPolarHBondContact O-CG1 3.43Å; M570-I573 WeakPolarHBondContact O-CG1 3.33Å; M570-I573 PolarHBondContact O-N 2.84Å; R571-I573 PolarHBondContact O-N 3.02Å; I573-A575 PolarHBondContact O-N 2.85Å; I573-Q576 VanDerWaalsContact CA-OE1 3.24Å; I573-Q576 WeakPolarHBondContact O-CB 3.45Å; I573-Q576 PolarHBondContact O-N 2.81Å; I573-Q576 PolarHBondContact O-OE1 3.12Å; I573-F577 WeakPolarHBondContact O-CB 3.32Å; I573-F577 PolarHBondContact O-N 3.35Å
574	E	88.4	Confident	88.7	Confident	98 Å²	98	39.5 Å²	39.5	46%	0.458	20%	0.204	S	C	.	.	H	α-helix	trans	-58.5	-49.6	-172	-47.4	-163	150.9	0	0	112.9	M570 Q576 F577 L578	M570-E574 HydrophobicContact CB-CG 4.06Å; M570-E574 HydrophobicContact CE-CB 4.27Å; M570-E574 HydrophobicContact CE-CG 4.08Å; M570-E574 WeakPolarHBondContact O-CG 3.2Å; M570-E574 PolarHBondContact O-N 2.81Å; E574-Q576 VanDerWaalsContact C-N 3.35Å; E574-Q576 PolarHBondContact O-N 2.87Å; E574-F577 PolarHBondContact O-N 2.77Å; E574-L578 WeakPolarHBondContact O-CB 3.37Å; E574-L578 VanDerWaalsContact O-CG 3.24Å; E574-L578 WeakPolarHBondContact O-CG 3.41Å; E574-L578 PolarHBondContact O-N 2.82Å
575	A	90.7	Very high	89	Confident	50 Å²	50	39.8 Å²	39.8	41%	0.413	21%	0.212	S	C	.	.	H	α-helix	trans	-66	-39.2	-179.4	0	0	0	0	0	111.9	L459 I573 A579	L459-A575 HydrophobicContact CD1-CB 4.48Å; L459-A575 HydrophobicContact CD2-CB 3.78Å; I573-A575 PolarHBondContact O-N 2.85Å; A575-A579 WeakPolarHBondContact O-CB 3.41Å; A575-A579 PolarHBondContact O-N 3.33Å
576	Q	92.9	Very high	89.4	Confident	9 Å²	9	42.1 Å²	42.1	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-48.2	176.1	-62.1	89.5	-34.7	0	0	110.9	I448 S452 L459 F462 G572 I573 E574 A579 L580	I448-Q576 HydrophobicContact CD1-CB 4.48Å; I448-Q576 HydrophobicContact CG2-CB 3.86Å; I448-Q576 HydrophobicContact CG2-CG 4.2Å; S452-Q576 WeakPolarHBondContact OG-CG 3.22Å; S452-Q576 PolarHBondContact OG-NE2 3.05Å; L459-Q576 HydrophobicContact CD2-CG 4.19Å; F462-Q576 WeakPolarHBondContact CB-O 3.15Å; F462-Q576 HydrophobicContact CD1-CB 4.35Å; F462-Q576 HydrophobicContact CD2-CB 3.5Å; F462-Q576 VanDerWaalsContact CD2-CB 3.5Å; F462-Q576 HydrophobicContact CD2-CG 3.55Å; F462-Q576 HydrophobicContact CE1-CB 4.38Å; F462-Q576 HydrophobicContact CE2-CB 3.57Å; F462-Q576 HydrophobicContact CE2-CG 3.29Å; F462-Q576 HydrophobicContact CG-CB 3.95Å; F462-Q576 HydrophobicContact CG-CG 4.47Å; F462-Q576 HydrophobicContact CZ-CB 4.02Å; F462-Q576 HydrophobicContact CZ-CG 4Å; G572-Q576 PolarHBondContact O-NE2 3.03Å; G572-Q576 PolarHBondContact O-OE1 2.79Å; I573-Q576 VanDerWaalsContact CA-OE1 3.24Å; I573-Q576 WeakPolarHBondContact O-CB 3.45Å; I573-Q576 PolarHBondContact O-N 2.81Å; I573-Q576 PolarHBondContact O-OE1 3.12Å; E574-Q576 VanDerWaalsContact C-N 3.35Å; E574-Q576 PolarHBondContact O-N 2.87Å; Q576-A579 PolarHBondContact O-N 3.48Å; Q576-L580 PolarHBondContact O-N 2.9Å
577	F	92.1	Very high	89.6	Confident	7 Å²	7	38.5 Å²	38.5	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-42.3	179.5	-170.6	-88.5	0	0	0	111.6	I448 F487 Q490 L491 I573 E574 A579 L580 Q581	I448-F577 HydrophobicContact CD1-CB 4.2Å; I448-F577 HydrophobicContact CD1-CD2 4.03Å; F487-F577 HydrophobicContact CD2-CD2 4.17Å; F487-F577 AromaticContact CD2-CE2 3.8Å; F487-F577 HydrophobicContact CD2-CE2 3.8Å; F487-F577 HydrophobicContact CE2-CD2 4.23Å; F487-F577 AromaticContact CE2-CE2 3.92Å; F487-F577 HydrophobicContact CE2-CE2 3.92Å; Q490-F577 HydrophobicContact CB-CD1 4.5Å; Q490-F577 HydrophobicContact CB-CD2 4.49Å; Q490-F577 HydrophobicContact CB-CE1 3.75Å; Q490-F577 HydrophobicContact CB-CE2 3.74Å; Q490-F577 HydrophobicContact CB-CZ 3.34Å; L491-F577 HydrophobicContact CB-CZ 4.27Å; L491-F577 HydrophobicContact CD1-CZ 4.41Å; I573-F577 WeakPolarHBondContact O-CB 3.32Å; I573-F577 PolarHBondContact O-N 3.35Å; E574-F577 PolarHBondContact O-N 2.77Å; F577-A579 PolarHBondContact O-N 2.95Å; F577-L580 PolarHBondContact O-N 3.49Å; F577-Q581 HydrophobicContact CD1-CB 4.43Å; F577-Q581 HydrophobicContact CE1-CB 4.05Å; F577-Q581 HydrophobicContact CE1-CG 4.46Å; F577-Q581 VanDerWaalsContact O-CB 3.3Å; F577-Q581 WeakPolarHBondContact O-CB 3.43Å; F577-Q581 PolarHBondContact O-N 2.85Å
578	L	92.8	Very high	89.9	Confident	104 Å²	104	37.8 Å²	37.8	55%	0.545	20%	0.201	S	C	.	.	H	α-helix	trans	-62.5	-40.3	175.4	-73.8	169.7	0	0	0	112.2	E574 K582	E574-L578 WeakPolarHBondContact O-CB 3.37Å; E574-L578 VanDerWaalsContact O-CG 3.24Å; E574-L578 WeakPolarHBondContact O-CG 3.41Å; E574-L578 PolarHBondContact O-N 2.82Å; L578-K582 VanDerWaalsContact O-CB 3.27Å; L578-K582 WeakPolarHBondContact O-CB 3.32Å; L578-K582 PolarHBondContact O-N 3.17Å
579	A	94.6	Very high	90.1	Very high	17 Å²	17	36.7 Å²	36.7	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-44.9	174.8	0	0	0	0	0	111.7	L459 F462 H463 A575 Q576 F577 K582 G583	L459-A579 WeakPolarHBondContact O-CB 3.47Å; F462-A579 HydrophobicContact CB-CB 4.04Å; H463-A579 WeakPolarHBondContact CA-O 3.45Å; H463-A579 HydrophobicContact CB-CB 4.41Å; H463-A579 PolarHBondContact CD2-O 3.11Å; A575-A579 WeakPolarHBondContact O-CB 3.41Å; A575-A579 PolarHBondContact O-N 3.33Å; Q576-A579 PolarHBondContact O-N 3.48Å; F577-A579 PolarHBondContact O-N 2.95Å; A579-K582 PolarHBondContact O-N 2.76Å; A579-G583 PolarHBondContact O-N 2.94Å; A579-G583 VanDerWaalsContact O-N 3.13Å
580	L	94.4	Very high	90.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-50.1	175.3	-173.2	156.4	0	0	0	111.9	F436 F462 V465 G466 M469 F487 L491 Q576 F577 K582 G583 F584	F436-L580 HydrophobicContact CZ-CD1 4.42Å; F462-L580 HydrophobicContact CB-CB 4.32Å; F462-L580 HydrophobicContact CD1-CD1 4.34Å; F462-L580 VanDerWaalsContact O-CA 3.28Å; F462-L580 WeakPolarHBondContact O-CA 3.33Å; V465-L580 HydrophobicContact CG1-CD1 3.76Å; V465-L580 HydrophobicContact CG1-CG 4.34Å; G466-L580 VanDerWaalsContact CA-O 3.27Å; G466-L580 WeakPolarHBondContact CA-O 3.16Å; M469-L580 HydrophobicContact SD-CD1 4.34Å; M469-L580 HydrophobicContact SD-CD2 4.09Å; M469-L580 HydrophobicContact SD-CG 4.47Å; F487-L580 HydrophobicContact CE2-CD1 3.9Å; F487-L580 HydrophobicContact CE2-CD2 4.25Å; F487-L580 HydrophobicContact CZ-CD1 3.88Å; F487-L580 HydrophobicContact CZ-CD2 3.9Å; L491-L580 HydrophobicContact CD1-CD2 4.39Å; Q576-L580 PolarHBondContact O-N 2.9Å; F577-L580 PolarHBondContact O-N 3.49Å; L580-K582 VanDerWaalsContact C-N 3.28Å; L580-K582 PolarHBondContact O-N 2.97Å; L580-G583 PolarHBondContact O-N 3.21Å; L580-G583 VanDerWaalsContact O-N 3.12Å; L580-F584 WeakPolarHBondContact O-CB 3.34Å; L580-F584 PolarHBondContact O-N 2.91Å
581	Q	93.8	Very high	90.6	Very high	38 Å²	38	43.6 Å²	43.6	18%	0.178	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-38.7	179.2	-175	176.3	44	0	0	111.7	L491 F577 F584 S585	L491-Q581 HydrophobicContact CD1-CG 4.35Å; F577-Q581 HydrophobicContact CD1-CB 4.43Å; F577-Q581 HydrophobicContact CE1-CB 4.05Å; F577-Q581 HydrophobicContact CE1-CG 4.46Å; F577-Q581 VanDerWaalsContact O-CB 3.3Å; F577-Q581 WeakPolarHBondContact O-CB 3.43Å; F577-Q581 PolarHBondContact O-N 2.85Å; Q581-F584 PolarHBondContact O-N 2.88Å; Q581-S585 VanDerWaalsContact O-CB 3.27Å; Q581-S585 WeakPolarHBondContact O-CB 3.41Å; Q581-S585 PolarHBondContact O-N 3.12Å; Q581-S585 PolarHBondContact O-OG 2.83Å
582	K	93.9	Very high	90.8	Very high	128 Å²	128	41.2 Å²	41.2	56%	0.557	23%	0.225	S	C	*	.	H	α-helix	trans	-59.7	-50.3	173.1	-179.4	-173.2	176.1	-172.3	0	111.5	L578 A579 L580 F584 S585 E586	L578-K582 VanDerWaalsContact O-CB 3.27Å; L578-K582 WeakPolarHBondContact O-CB 3.32Å; L578-K582 PolarHBondContact O-N 3.17Å; A579-K582 PolarHBondContact O-N 2.76Å; L580-K582 VanDerWaalsContact C-N 3.28Å; L580-K582 PolarHBondContact O-N 2.97Å; K582-F584 VanDerWaalsContact C-N 3.29Å; K582-F584 PolarHBondContact O-N 3.02Å; K582-S585 PolarHBondContact O-N 3.48Å; K582-E586 WeakPolarHBondContact O-CG 3.37Å; K582-E586 PolarHBondContact O-N 2.84Å
583	G	94.4	Very high	91.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.8	-36	-178.4	0	0	0	0	0	112.9	H463 G466 A579 L580	H463-G583 WeakPolarHBondContact CD2-CA 3.41Å; H463-G583 PolarHBondContact CD2-N 3.37Å; G466-G583 CarbonylContact O-C 3.51Å; A579-G583 PolarHBondContact O-N 2.94Å; A579-G583 VanDerWaalsContact O-N 3.13Å; L580-G583 PolarHBondContact O-N 3.21Å; L580-G583 VanDerWaalsContact O-N 3.12Å
584	F	93.8	Very high	90.9	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-68.8	-45.7	175	-174.5	-105.9	0	0	0	112	G466 M469 V473 L491 L580 Q581 K582 E586 L587 I588 L593	G466-F584 WeakPolarHBondContact O-CA 3.37Å; G466-F584 PolarHBondContact O-N 2.95Å; M469-F584 HydrophobicContact CB-CD2 3.73Å; M469-F584 HydrophobicContact CB-CE2 4.11Å; V473-F584 HydrophobicContact CG2-CE2 4.17Å; V473-F584 HydrophobicContact CG2-CZ 4.49Å; L491-F584 HydrophobicContact CD1-CB 4.4Å; L491-F584 HydrophobicContact CD1-CD1 3.62Å; L491-F584 HydrophobicContact CD1-CE1 4.05Å; L491-F584 HydrophobicContact CD1-CG 4.12Å; L491-F584 HydrophobicContact CD2-CD1 4.09Å; L491-F584 HydrophobicContact CD2-CE1 3.81Å; L491-F584 HydrophobicContact CD2-CE2 4.41Å; L491-F584 HydrophobicContact CD2-CG 4.46Å; L491-F584 HydrophobicContact CD2-CZ 4.01Å; L491-F584 HydrophobicContact CG-CD1 3.98Å; L491-F584 HydrophobicContact CG-CE1 3.87Å; L580-F584 WeakPolarHBondContact O-CB 3.34Å; L580-F584 PolarHBondContact O-N 2.91Å; Q581-F584 PolarHBondContact O-N 2.88Å; K582-F584 VanDerWaalsContact C-N 3.29Å; K582-F584 PolarHBondContact O-N 3.02Å; F584-E586 VanDerWaalsContact C-N 3.28Å; F584-E586 PolarHBondContact O-N 3.26Å; F584-L587 PolarHBondContact O-N 3.17Å; F584-L587 VanDerWaalsContact O-N 3.14Å; F584-I588 HydrophobicContact CE1-CB 4.42Å; F584-I588 HydrophobicContact CE2-CG1 4.39Å; F584-I588 HydrophobicContact CZ-CB 4.42Å; F584-I588 HydrophobicContact CZ-CG1 4.39Å; F584-I588 PolarHBondContact O-N 3.35Å; F584-L593 HydrophobicContact CD1-CD1 4.45Å; F584-L593 HydrophobicContact CE1-CD1 3.46Å; F584-L593 VanDerWaalsContact CE1-CD1 3.46Å; F584-L593 HydrophobicContact CZ-CD1 4.11Å
585	S	92.6	Very high	90.5	Very high	44 Å²	44	45.2 Å²	45.2	31%	0.308	24%	0.236	S	C	.	.	H	α-helix	trans	-68.5	-22.5	-178.7	-55.3	0	0	0	0	113.9	Q581 K582 L587 I588	Q581-S585 VanDerWaalsContact O-CB 3.27Å; Q581-S585 WeakPolarHBondContact O-CB 3.41Å; Q581-S585 PolarHBondContact O-N 3.12Å; Q581-S585 PolarHBondContact O-OG 2.83Å; K582-S585 PolarHBondContact O-N 3.48Å; S585-L587 PolarHBondContact O-N 3.47Å; S585-I588 WeakPolarHBondContact CA-O 3.36Å
586	E	92.9	Very high	89.9	Confident	52 Å²	52	43 Å²	43	24%	0.243	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.2	172.3	-79.8	170.8	-153.2	0	0	112.9	P394 H463 R467 K582 F584	P394-E586 HydrophobicContact CB-CB 4.27Å; P394-E586 HydrophobicContact CG-CB 3.95Å; P394-E586 HydrophobicContact CG-CG 4.19Å; H463-E586 IonicContact CD2-OE1 2.79Å; H463-E586 IonicContact CE1-OE1 3.5Å; H463-E586 PolarHBondContact CE1-OE1 3.43Å; H463-E586 IonicContact CE1-OE2 3.96Å; H463-E586 IonicContact NE2-OE1 3.16Å; H463-E586 PolarHBondContact NE2-OE1 3.22Å; H463-E586 IonicContact NE2-OE2 3.32Å; R467-E586 IonicContact CZ-OE2 3.38Å; R467-E586 IonicContact NE-OE2 3.29Å; R467-E586 PolarHBondContact NE-OE2 2.85Å; R467-E586 IonicContact NH2-OE2 2.74Å; R467-E586 PolarHBondContact NH2-OE2 3.41Å; K582-E586 WeakPolarHBondContact O-CG 3.37Å; K582-E586 PolarHBondContact O-N 2.84Å; F584-E586 VanDerWaalsContact C-N 3.28Å; F584-E586 PolarHBondContact O-N 3.26Å
587	L	91.1	Very high	89	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-45.3	179.7	-62.7	178	0	0	0	112.2	P394 L397 K398 R467 L471 F584 S585 P589	P394-L587 HydrophobicContact CB-CD2 4.25Å; L397-L587 HydrophobicContact CB-CD2 3.8Å; L397-L587 HydrophobicContact CD1-CD1 4.49Å; L397-L587 HydrophobicContact CD1-CD2 4.29Å; K398-L587 WeakPolarHBondContact CE-O 3.45Å; K398-L587 HydrophobicContact CG-CD2 4.1Å; K398-L587 PolarHBondContact NZ-O 3.49Å; R467-L587 WeakPolarHBondContact O-CD1 3.32Å; L471-L587 HydrophobicContact CB-CD1 3.98Å; F584-L587 PolarHBondContact O-N 3.17Å; F584-L587 VanDerWaalsContact O-N 3.14Å; S585-L587 PolarHBondContact O-N 3.47Å; L587-P589 WeakPolarHBondContact O-CD 3.42Å
588	I	92.1	Very high	88.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-108.6	106.3	-179	-52.6	-59.7	0	0	0	109.8	L362 V473 F474 F584 S585 Q590 L593	L362-I588 HydrophobicContact CD1-CD1 4.05Å; L362-I588 HydrophobicContact CD2-CD1 3.73Å; V473-I588 HydrophobicContact CB-CD1 4.09Å; V473-I588 HydrophobicContact CB-CG1 4.14Å; V473-I588 HydrophobicContact CG1-CD1 3.84Å; V473-I588 HydrophobicContact CG1-CG1 4.07Å; F474-I588 HydrophobicContact CB-CD1 3.95Å; F474-I588 HydrophobicContact CD2-CD1 4.18Å; F584-I588 HydrophobicContact CE1-CB 4.42Å; F584-I588 HydrophobicContact CE2-CG1 4.39Å; F584-I588 HydrophobicContact CZ-CB 4.42Å; F584-I588 HydrophobicContact CZ-CG1 4.39Å; F584-I588 PolarHBondContact O-N 3.35Å; S585-I588 WeakPolarHBondContact CA-O 3.36Å; I588-Q590 PolarHBondContact O-N 3.33Å; I588-L593 HydrophobicContact CG2-CD1 3.82Å; I588-L593 HydrophobicContact CG2-CD2 3.94Å; I588-L593 HydrophobicContact CG2-CG 3.89Å
589	P	88.9	Confident	86.9	Confident	28 Å²	28	46.4 Å²	46.4	18%	0.182	23%	0.229	C	C	.	.			trans	-60	127.1	177.2	-24	33.7	0	0	0	112.2	L587 H591 L592	L587-P589 WeakPolarHBondContact O-CD 3.42Å; P589-H591 WeakPolarHBondContact CB-CE1 3.47Å; P589-H591 WeakPolarHBondContact CB-ND1 3.2Å; P589-H591 PolarHBondContact O-N 3.45Å; P589-L592 HydrophobicContact CB-CD1 4.46Å; P589-L592 HydrophobicContact CB-CG 4.32Å; P589-L592 HydrophobicContact CG-CD1 4.28Å; P589-L592 WeakPolarHBondContact O-CB 3.27Å; P589-L592 PolarHBondContact O-N 2.89Å
590	Q	85.3	Confident	86.1	Confident	90 Å²	90	45.7 Å²	45.7	42%	0.421	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-57.4	-25.8	-174.3	-164.1	-178.3	23.6	0	0	114	I588 L592 L593	I588-Q590 PolarHBondContact O-N 3.33Å; Q590-L592 VanDerWaalsContact C-N 3.3Å; Q590-L592 PolarHBondContact O-N 3.24Å; Q590-L593 PolarHBondContact O-N 3.27Å
591	H	86.8	Confident	85.5	Confident	111 Å²	111	45.7 Å²	45.7	51%	0.514	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-65.8	-30.8	177	68.3	-97.4	0	0	0	113.2	P589 L593 K594	P589-H591 WeakPolarHBondContact CB-CE1 3.47Å; P589-H591 WeakPolarHBondContact CB-ND1 3.2Å; P589-H591 PolarHBondContact O-N 3.45Å; H591-L593 PolarHBondContact O-N 3.38Å; H591-K594 PolarHBondContact O-N 3.4Å
592	L	87.4	Confident	84.8	Confident	26 Å²	26	46.6 Å²	46.6	14%	0.136	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-69.4	-19	175.9	-57.4	-176.5	0	0	0	112.7	L358 E361 L362 P589 Q590 P595 F596	L358-L592 HydrophobicContact CD1-CB 3.77Å; L358-L592 HydrophobicContact CD1-CD1 4.16Å; E361-L592 HydrophobicContact CB-CD2 4.45Å; E361-L592 HydrophobicContact CG-CD1 3.78Å; E361-L592 HydrophobicContact CG-CD2 3.53Å; E361-L592 HydrophobicContact CG-CG 4.32Å; L362-L592 HydrophobicContact CD2-CD1 4.01Å; L362-L592 HydrophobicContact CG-CD1 4.49Å; P589-L592 HydrophobicContact CB-CD1 4.46Å; P589-L592 HydrophobicContact CB-CG 4.32Å; P589-L592 HydrophobicContact CG-CD1 4.28Å; P589-L592 WeakPolarHBondContact O-CB 3.27Å; P589-L592 PolarHBondContact O-N 2.89Å; Q590-L592 VanDerWaalsContact C-N 3.3Å; Q590-L592 PolarHBondContact O-N 3.24Å; L592-P595 WeakPolarHBondContact O-CD 3.42Å; L592-F596 WeakPolarHBondContact O-CE2 3.31Å
593	L	85.3	Confident	83.8	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-93.2	-14.1	-178	-60.5	175.6	0	0	0	113.1	L492 F584 I588 Q590 H591 F596 L601	L492-L593 HydrophobicContact CD2-CB 3.9Å; L492-L593 WeakPolarHBondContact CD2-O 3.44Å; F584-L593 HydrophobicContact CD1-CD1 4.45Å; F584-L593 HydrophobicContact CE1-CD1 3.46Å; F584-L593 VanDerWaalsContact CE1-CD1 3.46Å; F584-L593 HydrophobicContact CZ-CD1 4.11Å; I588-L593 HydrophobicContact CG2-CD1 3.82Å; I588-L593 HydrophobicContact CG2-CD2 3.94Å; I588-L593 HydrophobicContact CG2-CG 3.89Å; Q590-L593 PolarHBondContact O-N 3.27Å; H591-L593 PolarHBondContact O-N 3.38Å; L593-F596 PolarHBondContact O-N 2.95Å; L593-F596 VanDerWaalsContact O-N 3.08Å; L593-L601 HydrophobicContact CD2-CD1 4.27Å
594	K	83.9	Confident	83	Confident	161 Å²	161	43.6 Å²	43.6	70%	0.7	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-39.1	178.1	-70.2	-177.7	176.4	-175.1	0	114.7	H591 F596	H591-K594 PolarHBondContact O-N 3.4Å; K594-F596 PolarHBondContact O-N 3.45Å
595	P	80.9	Confident	82.5	Confident	78 Å²	78	43.6 Å²	43.6	51%	0.506	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-15.9	179.5	-20.8	34.6	0	0	0	114.5	L592	L592-P595 WeakPolarHBondContact O-CD 3.42Å
596	F	78.7	Confident	81.5	Confident	4 Å²	4	42 Å²	42	2%	0.018	21%	0.208	C	C	.	.			trans	-94.8	142.9	-173.5	-61.7	-85	0	0	0	112.3	L351 K354 L358 K494 L592 L593 K594 E600 I604	L351-F596 HydrophobicContact CD1-CD1 3.93Å; L351-F596 HydrophobicContact CD1-CE1 3.94Å; K354-F596 HydrophobicContact CB-CD1 4.2Å; K354-F596 HydrophobicContact CB-CE1 3.4Å; K354-F596 VanDerWaalsContact CB-CE1 3.4Å; K354-F596 HydrophobicContact CB-CZ 3.65Å; K354-F596 HydrophobicContact CD-CD1 4.16Å; K354-F596 HydrophobicContact CD-CE1 4.2Å; K354-F596 HydrophobicContact CG-CE1 4.42Å; L358-F596 HydrophobicContact CB-CE2 4.19Å; L358-F596 HydrophobicContact CB-CZ 3.92Å; L358-F596 HydrophobicContact CD2-CE2 3.91Å; L358-F596 HydrophobicContact CD2-CZ 3.83Å; L358-F596 HydrophobicContact CG-CE2 4.44Å; L358-F596 HydrophobicContact CG-CZ 4.43Å; K494-F596 PolarHBondContact NZ-O 3.13Å; L592-F596 WeakPolarHBondContact O-CE2 3.31Å; L593-F596 PolarHBondContact O-N 2.95Å; L593-F596 VanDerWaalsContact O-N 3.08Å; K594-F596 PolarHBondContact O-N 3.45Å; F596-E600 VanDerWaalsContact CA-OE2 3.24Å; F596-E600 WeakPolarHBondContact CA-OE2 3.4Å; F596-E600 HydrophobicContact CB-CB 4.23Å; F596-E600 HydrophobicContact CD1-CB 4.11Å; F596-I604 HydrophobicContact CD1-CD1 3.48Å; F596-I604 VanDerWaalsContact CD1-CD1 3.48Å; F596-I604 HydrophobicContact CE1-CD1 3.42Å; F596-I604 VanDerWaalsContact CE1-CD1 3.42Å; F596-I604 HydrophobicContact CG-CD1 4.09Å; F596-I604 HydrophobicContact CZ-CD1 3.99Å
597	D	73.8	Confident	80.4	Confident	40 Å²	40	40 Å²	40	21%	0.214	20%	0.2	C	C	.	.			trans	-83.7	176.9	164.8	87.4	41	0	0	0	112.7	Y347 L492 K599 E600 L601	Y347-D597 PolarHBondContact OH-OD2 2.92Å; L492-D597 VanDerWaalsContact CD1-C 3.48Å; L492-D597 WeakPolarHBondContact CD1-O 3.26Å; D597-K599 WeakPolarHBondContact OD1-CA 3.45Å; D597-K599 WeakPolarHBondContact OD1-CB 3.13Å; D597-K599 PolarHBondContact OD1-N 3.44Å; D597-E600 HydrophobicContact CB-CG 4.46Å; D597-E600 PolarHBondContact N-OE2 2.99Å; D597-E600 PolarHBondContact OD1-N 3.14Å; D597-L601 WeakPolarHBondContact O-CB 3.49Å; D597-L601 PolarHBondContact O-N 2.94Å
598	H	73.6	Confident	78.9	Confident	36 Å²	36	42.3 Å²	42.3	17%	0.167	21%	0.213	C	C	.	.	H	α-helix	trans	-74	-29	-173.8	55.1	-74.6	0	0	0	113.3	K489 L492 E602	K489-H598 HydrophobicContact CG-CB 3.61Å; L492-H598 HydrophobicContact CD1-CB 4.23Å; H598-E602 WeakPolarHBondContact O-CB 3.48Å; H598-E602 PolarHBondContact O-N 3.4Å; H598-E602 VanDerWaalsContact O-N 3.09Å
599	K	67.8	Low	77.4	Confident	114 Å²	114	44.2 Å²	44.2	50%	0.496	23%	0.233	S	C	.	.	H	α-helix	trans	-78.8	-39.1	172.7	-57	-179.9	179.1	-178.9	0	110.4	D597 L601 E602 L603	D597-K599 WeakPolarHBondContact OD1-CA 3.45Å; D597-K599 WeakPolarHBondContact OD1-CB 3.13Å; D597-K599 PolarHBondContact OD1-N 3.44Å; K599-L601 VanDerWaalsContact C-N 3.32Å; K599-L601 PolarHBondContact O-N 3.43Å; K599-E602 WeakPolarHBondContact O-CB 3.5Å; K599-E602 PolarHBondContact O-N 3.21Å; K599-L603 VanDerWaalsContact O-CG 3.32Å; K599-L603 WeakPolarHBondContact O-CG 3.09Å; K599-L603 PolarHBondContact O-N 2.87Å
600	E	77.1	Confident	76.5	Confident	3 Å²	3	50.5 Å²	50.5	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-58.7	-44.5	171	-64.7	-174.2	123.5	0	0	111	Y347 L351 K354 F596 D597 L603 I604	Y347-E600 WeakPolarHBondContact OH-CG 3.14Å; L351-E600 HydrophobicContact CD1-CB 3.67Å; L351-E600 HydrophobicContact CD1-CG 3.71Å; L351-E600 HydrophobicContact CD2-CB 4.36Å; L351-E600 HydrophobicContact CD2-CG 4.02Å; L351-E600 HydrophobicContact CG-CG 4.3Å; K354-E600 IonicContact NZ-OE1 3.38Å; K354-E600 PolarHBondContact NZ-OE1 3.3Å; K354-E600 IonicContact NZ-OE2 2.95Å; K354-E600 PolarHBondContact NZ-OE2 3.38Å; F596-E600 VanDerWaalsContact CA-OE2 3.24Å; F596-E600 WeakPolarHBondContact CA-OE2 3.4Å; F596-E600 HydrophobicContact CB-CB 4.23Å; F596-E600 HydrophobicContact CD1-CB 4.11Å; D597-E600 HydrophobicContact CB-CG 4.46Å; D597-E600 PolarHBondContact N-OE2 2.99Å; D597-E600 PolarHBondContact OD1-N 3.14Å; E600-L603 PolarHBondContact O-N 3.1Å; E600-I604 WeakPolarHBondContact O-CD1 3.11Å; E600-I604 VanDerWaalsContact O-CG1 3.24Å; E600-I604 WeakPolarHBondContact O-CG1 3.36Å; E600-I604 PolarHBondContact O-N 2.7Å
601	L	80.8	Confident	76.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.8	-38.9	176.8	-175.9	60.7	0	0	0	113	Y488 L491 L492 L593 D597 K599 L603 I604 I605	Y488-L601 HydrophobicContact CD1-CD2 4.48Å; Y488-L601 HydrophobicContact CD1-CG 4.34Å; L491-L601 HydrophobicContact CB-CD2 4.34Å; L491-L601 HydrophobicContact CD2-CD2 4.18Å; L491-L601 HydrophobicContact CG-CD2 4.39Å; L492-L601 HydrophobicContact CD1-CB 4.38Å; L492-L601 HydrophobicContact CD1-CD2 4.22Å; L492-L601 HydrophobicContact CD2-CD2 3.79Å; L492-L601 HydrophobicContact CG-CD2 3.67Å; L593-L601 HydrophobicContact CD2-CD1 4.27Å; D597-L601 WeakPolarHBondContact O-CB 3.49Å; D597-L601 PolarHBondContact O-N 2.94Å; K599-L601 VanDerWaalsContact C-N 3.32Å; K599-L601 PolarHBondContact O-N 3.43Å; L601-L603 VanDerWaalsContact C-N 3.32Å; L601-L603 PolarHBondContact O-N 3.3Å; L601-I604 PolarHBondContact O-N 2.98Å; L601-I605 HydrophobicContact CD1-CD1 3.84Å; L601-I605 HydrophobicContact CD1-CG1 4.2Å; L601-I605 HydrophobicContact CD2-CD1 4.47Å; L601-I605 HydrophobicContact CG-CD1 3.86Å; L601-I605 WeakPolarHBondContact O-CG1 3.21Å; L601-I605 PolarHBondContact O-N 3.27Å
602	E	78.8	Confident	76.1	Confident	56 Å²	56	45.8 Å²	45.8	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-56.1	-46.9	171.4	176.6	172.7	-153.8	0	0	111.2	Y488 H598 K599 I604 I605 G606	Y488-E602 HydrophobicContact CD2-CB 3.84Å; Y488-E602 HydrophobicContact CD2-CG 4.32Å; Y488-E602 HydrophobicContact CE1-CB 4.38Å; Y488-E602 HydrophobicContact CE2-CB 3.57Å; Y488-E602 HydrophobicContact CE2-CG 3.59Å; Y488-E602 HydrophobicContact CG-CB 4.33Å; H598-E602 WeakPolarHBondContact O-CB 3.48Å; H598-E602 PolarHBondContact O-N 3.4Å; H598-E602 VanDerWaalsContact O-N 3.09Å; K599-E602 WeakPolarHBondContact O-CB 3.5Å; K599-E602 PolarHBondContact O-N 3.21Å; E602-I604 VanDerWaalsContact C-N 3.32Å; E602-I604 PolarHBondContact O-N 3.02Å; E602-I605 PolarHBondContact O-N 2.89Å; E602-G606 PolarHBondContact O-N 3.16Å
603	L	73.9	Confident	76	Confident	51 Å²	51	46.3 Å²	46.3	27%	0.267	24%	0.241	S	C	.	.	H	α-helix	trans	-66.1	-31	177.4	-70.1	167.2	0	0	0	113.2	L351 K599 E600 L601 G607 L608 L662	L351-L603 HydrophobicContact CD2-CD1 4.06Å; K599-L603 VanDerWaalsContact O-CG 3.32Å; K599-L603 WeakPolarHBondContact O-CG 3.09Å; K599-L603 PolarHBondContact O-N 2.87Å; E600-L603 PolarHBondContact O-N 3.1Å; L601-L603 VanDerWaalsContact C-N 3.32Å; L601-L603 PolarHBondContact O-N 3.3Å; L603-G607 VanDerWaalsContact O-CA 3.26Å; L603-G607 WeakPolarHBondContact O-CA 3.1Å; L603-G607 PolarHBondContact O-N 3.27Å; L603-L608 HydrophobicContact CD2-CD2 3.93Å; L603-L662 HydrophobicContact CD1-CD1 4.14Å
604	I	78.5	Confident	76.1	Confident	14 Å²	14	49.3 Å²	49.3	7%	0.072	27%	0.266	C	S	.	.	H	α-helix	trans	-70.5	-41	176.1	-72.1	165.8	0	0	0	111.4	L355 L358 V473 F596 E600 L601 E602	L355-I604 HydrophobicContact CD1-CD1 4.32Å; L355-I604 HydrophobicContact CD1-CG1 4.05Å; L358-I604 HydrophobicContact CD2-CD1 4.41Å; V473-I604 HydrophobicContact CG1-CG2 4.03Å; V473-I604 HydrophobicContact CG2-CG2 4.26Å; F596-I604 HydrophobicContact CD1-CD1 3.48Å; F596-I604 VanDerWaalsContact CD1-CD1 3.48Å; F596-I604 HydrophobicContact CE1-CD1 3.42Å; F596-I604 VanDerWaalsContact CE1-CD1 3.42Å; F596-I604 HydrophobicContact CG-CD1 4.09Å; F596-I604 HydrophobicContact CZ-CD1 3.99Å; E600-I604 WeakPolarHBondContact O-CD1 3.11Å; E600-I604 VanDerWaalsContact O-CG1 3.24Å; E600-I604 WeakPolarHBondContact O-CG1 3.36Å; E600-I604 PolarHBondContact O-N 2.7Å; L601-I604 PolarHBondContact O-N 2.98Å; E602-I604 VanDerWaalsContact C-N 3.32Å; E602-I604 PolarHBondContact O-N 3.02Å
605	I	81.6	Confident	76.3	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-81.6	-46.9	-178.1	-66	168.7	0	0	0	111.1	M469 V473 Y478 I479 Y488 L491 L601 E602	M469-I605 HydrophobicContact CE-CD1 4Å; M469-I605 HydrophobicContact CE-CG2 4.37Å; V473-I605 HydrophobicContact CG2-CG1 3.75Å; Y478-I605 WeakPolarHBondContact CA-O 3.42Å; I479-I605 HydrophobicContact CB-CG2 4.1Å; I479-I605 HydrophobicContact CG2-CG2 4.43Å; I479-I605 PolarHBondContact N-O 2.87Å; Y488-I605 HydrophobicContact CD1-CD1 4.15Å; Y488-I605 HydrophobicContact CE1-CD1 3.94Å; L491-I605 HydrophobicContact CD2-CD1 4.26Å; L601-I605 HydrophobicContact CD1-CD1 3.84Å; L601-I605 HydrophobicContact CD1-CG1 4.2Å; L601-I605 HydrophobicContact CD2-CD1 4.47Å; L601-I605 HydrophobicContact CG-CD1 3.86Å; L601-I605 WeakPolarHBondContact O-CG1 3.21Å; L601-I605 PolarHBondContact O-N 3.27Å; E602-I605 PolarHBondContact O-N 2.89Å
606	G	71.6	Confident	76.8	Confident	11 Å²	11	39.8 Å²	39.8	11%	0.113	22%	0.219	C	C	.	.	H	α-helix	trans	-93	-17.2	-172.8	0	0	0	0	0	115.8	E602 R659	E602-G606 PolarHBondContact O-N 3.16Å; G606-R659 WeakPolarHBondContact O-CD 3.33Å; G606-R659 VanDerWaalsContact O-CG 3.23Å; G606-R659 WeakPolarHBondContact O-CG 3.42Å; G606-R659 PolarHBondContact O-NE 2.8Å
607	G	70.3	Confident	77.3	Confident	9 Å²	9	44.3 Å²	44.3	9%	0.093	24%	0.239	C	C	.	.			trans	67.8	-175.8	-173.1	0	0	0	0	0	113.5	L603 G609	L603-G607 VanDerWaalsContact O-CA 3.26Å; L603-G607 WeakPolarHBondContact O-CA 3.1Å; L603-G607 PolarHBondContact O-N 3.27Å; G607-G609 PolarHBondContact O-N 2.8Å
608	L	60.6	Low	78.1	Confident	51 Å²	51	46.3 Å²	46.3	27%	0.267	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-75.4	123.7	172.3	-69.5	176.6	0	0	0	110.1	L603 V660 P661 L662	L603-L608 HydrophobicContact CD2-CD2 3.93Å; L608-V660 HydrophobicContact CB-CB 4.23Å; L608-V660 WeakPolarHBondContact CB-O 3.22Å; L608-V660 PolarHBondContact N-O 3.43Å; L608-V660 PolarHBondContact O-N 2.93Å; L608-P661 WeakPolarHBondContact CD1-O 3.44Å; L608-L662 HydrophobicContact CD2-CD1 4.32Å
609	G	60.9	Low	78.9	Confident	40 Å²	40	46.3 Å²	46.3	41%	0.412	26%	0.262	S	S	.	.			trans	-82.8	-27.5	177	0	0	0	0	0	114.6	G607 R659	G607-G609 PolarHBondContact O-N 2.8Å; G609-R659 VanDerWaalsContact CA-NH1 3.32Å
610	K	68.6	Low	80.1	Confident	159 Å²	159	41.8 Å²	41.8	69%	0.691	24%	0.244	S	C	*	.	S	Bend	trans	-92.8	129.3	177.1	-170.7	176.8	-174.8	-178.4	0	110.1
611	I	80.3	Confident	80.7	Confident	10 Å²	10	49.6 Å²	49.6	5%	0.051	27%	0.273	C	S	.	.			trans	-95.7	111.9	179.2	-64.4	172.4	0	0	0	109.1	L613 W616 R647 L651 V660 F665	I611-L613 HydrophobicContact CG2-CD2 4.45Å; I611-L613 PolarHBondContact O-N 2.97Å; I611-W616 HydrophobicContact CG2-CE3 3.48Å; I611-W616 VanDerWaalsContact CG2-CE3 3.48Å; I611-W616 HydrophobicContact CG2-CZ3 3.77Å; I611-R647 HydrophobicContact CD1-CB 3.83Å; I611-L651 HydrophobicContact CD1-CD2 4.21Å; I611-V660 HydrophobicContact CG1-CG2 4.01Å; I611-F665 HydrophobicContact CG2-CE2 4.07Å; I611-F665 HydrophobicContact CG2-CZ 3.96Å
612	D	83.7	Confident	81.3	Confident	93 Å²	93	52.2 Å²	52.2	50%	0.497	29%	0.287	S	S	.	.			trans	-77.3	114.9	169.7	-172.9	-15.7	0	0	0	110.1	A614 D615 W616	D612-A614 WeakPolarHBondContact OD1-CB 3.49Å; D612-A614 PolarHBondContact OD1-N 3.01Å; D612-D615 HydrophobicContact CB-CB 4.02Å; D612-D615 PolarHBondContact OD1-N 3.23Å; D612-W616 WeakPolarHBondContact O-CB 3.31Å; D612-W616 PolarHBondContact O-N 2.94Å
613	L	86.4	Confident	81.8	Confident	36 Å²	36	53.6 Å²	53.6	19%	0.188	29%	0.292	C	S	.	.	H	α-helix	trans	-69.7	-32.3	178.3	-65.2	-174.4	0	0	0	113	I611 W616 K617 V639 E640	I611-L613 HydrophobicContact CG2-CD2 4.45Å; I611-L613 PolarHBondContact O-N 2.97Å; L613-W616 HydrophobicContact CD2-CE3 4.2Å; L613-K617 WeakPolarHBondContact O-CB 3.19Å; L613-K617 PolarHBondContact O-N 2.83Å; L613-V639 HydrophobicContact CD2-CG1 3.69Å; L613-E640 HydrophobicContact CD1-CB 4.45Å; L613-E640 HydrophobicContact CD1-CG 3.88Å
614	A	87.3	Confident	82.4	Confident	67 Å²	67	57.7 Å²	57.7	55%	0.554	31%	0.31	S	S	*	.	H	α-helix	trans	-69.2	-44.8	178.9	0	0	0	0	0	110.2	D612 K617 A618	D612-A614 WeakPolarHBondContact OD1-CB 3.49Å; D612-A614 PolarHBondContact OD1-N 3.01Å; A614-K617 PolarHBondContact O-N 2.89Å; A614-A618 VanDerWaalsContact O-CB 3.23Å; A614-A618 WeakPolarHBondContact O-CB 3.36Å; A614-A618 PolarHBondContact O-N 3.38Å
615	D	88.4	Confident	82.9	Confident	40 Å²	40	57.9 Å²	57.9	21%	0.214	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-39.5	174.5	-172.4	64.6	0	0	0	112.2	D612 N619 G664 F665	D612-D615 HydrophobicContact CB-CB 4.02Å; D612-D615 PolarHBondContact OD1-N 3.23Å; D615-N619 WeakPolarHBondContact O-CB 3.32Å; D615-N619 PolarHBondContact O-N 3.38Å; D615-N619 PolarHBondContact O-ND2 3.14Å; D615-N619 PolarHBondContact OD1-ND2 3.38Å; D615-G664 VanDerWaalsContact OD2-CA 3.25Å; D615-G664 WeakPolarHBondContact OD2-CA 3.41Å; D615-F665 WeakPolarHBondContact OD2-CD2 3.17Å; D615-F665 PolarHBondContact OD2-N 3.26Å
616	W	90.4	Very high	83.1	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.1	-48	174.3	-164	-6.1	0	0	0	111.7	I611 D612 L613 N619 T620 W636 V639 R647 L650 L651 F665 F677	I611-W616 HydrophobicContact CG2-CE3 3.48Å; I611-W616 VanDerWaalsContact CG2-CE3 3.48Å; I611-W616 HydrophobicContact CG2-CZ3 3.77Å; D612-W616 WeakPolarHBondContact O-CB 3.31Å; D612-W616 PolarHBondContact O-N 2.94Å; L613-W616 HydrophobicContact CD2-CE3 4.2Å; W616-N619 PolarHBondContact O-N 2.83Å; W616-T620 WeakPolarHBondContact O-CB 3.15Å; W616-T620 PolarHBondContact O-N 2.9Å; W616-T620 PolarHBondContact O-OG1 3.13Å; W616-W636 HydrophobicContact CB-CH2 4.16Å; W616-W636 HydrophobicContact CB-CZ3 4.25Å; W616-W636 AromaticContact CD1-CH2 3.61Å; W616-W636 HydrophobicContact CD2-CH2 4.14Å; W616-W636 HydrophobicContact CD2-CZ3 4.09Å; W616-W636 AromaticContact CG-CH2 3.69Å; W616-W636 HydrophobicContact CG-CH2 3.69Å; W616-W636 AromaticContact CG-CZ3 3.94Å; W616-W636 HydrophobicContact CG-CZ3 3.94Å; W616-W636 AromaticContact NE1-CH2 3.96Å; W616-V639 HydrophobicContact CE3-CG1 4.23Å; W616-V639 HydrophobicContact CZ3-CG1 4Å; W616-R647 HydrophobicContact CZ3-CB 4.39Å; W616-L650 HydrophobicContact CH2-CD2 4.1Å; W616-L650 HydrophobicContact CH2-CG 4.25Å; W616-L651 HydrophobicContact CH2-CB 4.12Å; W616-L651 HydrophobicContact CH2-CD1 4.24Å; W616-L651 HydrophobicContact CZ2-CD1 3.89Å; W616-F665 HydrophobicContact CB-CD1 4.08Å; W616-F665 HydrophobicContact CB-CD2 3.73Å; W616-F665 HydrophobicContact CB-CE1 3.94Å; W616-F665 HydrophobicContact CB-CE2 3.55Å; W616-F665 HydrophobicContact CB-CG 4Å; W616-F665 HydrophobicContact CB-CZ 3.68Å; W616-F665 AromaticContact CD1-CD1 3.33Å; W616-F665 AromaticContact CD1-CE1 3.23Å; W616-F665 AromaticContact CD1-CZ 3.86Å; W616-F665 HydrophobicContact CD2-CD1 4.29Å; W616-F665 AromaticContact CD2-CE1 3.44Å; W616-F665 HydrophobicContact CD2-CE1 3.44Å; W616-F665 VanDerWaalsContact CD2-CE1 3.44Å; W616-F665 HydrophobicContact CD2-CE2 4.2Å; W616-F665 AromaticContact CD2-CZ 3.39Å; W616-F665 HydrophobicContact CD2-CZ 3.39Å; W616-F665 AromaticContact CE2-CE1 3.52Å; W616-F665 AromaticContact CE2-CZ 3.91Å; W616-F665 HydrophobicContact CE3-CE1 4.21Å; W616-F665 HydrophobicContact CE3-CE2 4.49Å; W616-F665 AromaticContact CE3-CZ 3.73Å; W616-F665 HydrophobicContact CE3-CZ 3.73Å; W616-F665 AromaticContact CG-CD1 3.66Å; W616-F665 HydrophobicContact CG-CD1 3.66Å; W616-F665 HydrophobicContact CG-CD2 4.17Å; W616-F665 AromaticContact CG-CE1 3.28Å; W616-F665 HydrophobicContact CG-CE1 3.28Å; W616-F665 AromaticContact CG-CE2 3.83Å; W616-F665 HydrophobicContact CG-CE2 3.83Å; W616-F665 HydrophobicContact CG-CG 4.11Å; W616-F665 AromaticContact CG-CZ 3.38Å; W616-F665 HydrophobicContact CG-CZ 3.38Å; W616-F665 HydrophobicContact CZ2-CE1 4.3Å; W616-F665 HydrophobicContact CZ3-CZ 4.46Å; W616-F665 AromaticContact NE1-CD1 3.84Å; W616-F665 AromaticContact NE1-CE1 3.42Å; W616-F677 AromaticContact CE2-CE2 3.89Å; W616-F677 HydrophobicContact CZ2-CD2 4.16Å; W616-F677 AromaticContact CZ2-CE2 3.59Å; W616-F677 HydrophobicContact CZ2-CE2 3.59Å; W616-F677 AromaticContact CZ2-CZ 3.86Å; W616-F677 HydrophobicContact CZ2-CZ 3.86Å; W616-F677 AromaticContact NE1-CD1 3.46Å; W616-F677 AromaticContact NE1-CD2 3.36Å; W616-F677 AromaticContact NE1-CE1 3.67Å; W616-F677 AromaticContact NE1-CE2 3.56Å; W616-F677 AromaticContact NE1-CG 3.3Å; W616-F677 VanDerWaalsContact NE1-CG 3.3Å; W616-F677 AromaticContact NE1-CZ 3.73Å
617	K	89.8	Confident	83.7	Confident	99 Å²	99	63.1 Å²	63.1	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-65.7	-41.6	-179.4	-162.7	168.8	-165.4	168.6	0	111.6	L613 A614 W636 E640	L613-K617 WeakPolarHBondContact O-CB 3.19Å; L613-K617 PolarHBondContact O-N 2.83Å; A614-K617 PolarHBondContact O-N 2.89Å; K617-W636 HydrophobicContact CB-CD2 4.4Å; K617-W636 HydrophobicContact CB-CE3 4.41Å; K617-W636 HydrophobicContact CB-CH2 4.24Å; K617-W636 HydrophobicContact CB-CZ2 4.21Å; K617-W636 HydrophobicContact CB-CZ3 4.33Å; K617-W636 HydrophobicContact CD-CD2 4.17Å; K617-W636 HydrophobicContact CD-CG 4.19Å; K617-W636 HydrophobicContact CG-CD2 3.96Å; K617-W636 HydrophobicContact CG-CE3 4.41Å; K617-W636 HydrophobicContact CG-CG 4.29Å; K617-W636 HydrophobicContact CG-CZ2 4.22Å; K617-E640 IonicContact NZ-OE1 3.65Å; K617-E640 PolarHBondContact NZ-OE1 2.87Å
618	A	90.3	Very high	84.3	Confident	82 Å²	82	69 Å²	69	68%	0.678	38%	0.375	S	S	*	.	H	α-helix	trans	-66.2	-35	177.9	0	0	0	0	0	113.6	A614	A614-A618 VanDerWaalsContact O-CB 3.23Å; A614-A618 WeakPolarHBondContact O-CB 3.36Å; A614-A618 PolarHBondContact O-N 3.38Å
619	N	90.6	Very high	85.7	Confident	35 Å²	35	67.9 Å²	67.9	19%	0.187	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	17.7	-177.8	-62.7	-75.4	0	0	0	113.7	D615 W616 F665 K666 L676	D615-N619 WeakPolarHBondContact O-CB 3.32Å; D615-N619 PolarHBondContact O-N 3.38Å; D615-N619 PolarHBondContact O-ND2 3.14Å; D615-N619 PolarHBondContact OD1-ND2 3.38Å; W616-N619 PolarHBondContact O-N 2.83Å; N619-F665 HydrophobicContact CB-CB 3.72Å; N619-K666 WeakPolarHBondContact OD1-CB 3.34Å; N619-L676 HydrophobicContact CB-CD2 4.4Å
620	T	92.3	Very high	87	Confident	20 Å²	20	70.1 Å²	70.1	12%	0.123	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-90.7	125.7	174.7	-72.2	0	0	0	0	111.5	W616 L622 W636 F677 I679	W616-T620 WeakPolarHBondContact O-CB 3.15Å; W616-T620 PolarHBondContact O-N 2.9Å; W616-T620 PolarHBondContact O-OG1 3.13Å; T620-L622 HydrophobicContact CG2-CD2 4.08Å; T620-W636 HydrophobicContact CG2-CZ2 3.98Å; T620-W636 WeakPolarHBondContact OG1-CZ2 3.46Å; T620-F677 WeakPolarHBondContact CA-O 3.46Å; T620-F677 HydrophobicContact CG2-CD1 3.84Å; T620-F677 HydrophobicContact CG2-CE1 4.46Å; T620-F677 WeakPolarHBondContact OG1-CD1 3.29Å; T620-I679 HydrophobicContact CG2-CD1 3.85Å; T620-I679 HydrophobicContact CG2-CG1 3.87Å
621	R	90.9	Very high	88	Confident	167 Å²	167	63.3 Å²	63.3	63%	0.63	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	136.6	170.6	-174.1	176.9	-177.7	173.8	3.1	110.4	F677 T678 I679	R621-F677 PolarHBondContact N-O 3.2Å; R621-T678 HydrophobicContact CB-CG2 4.33Å; R621-T678 HydrophobicContact CG-CG2 4.45Å; R621-T678 CarbonylContact O-C 3.58Å; R621-T678 VanDerWaalsContact O-CA 3.25Å; R621-T678 WeakPolarHBondContact O-CA 3.47Å; R621-I679 PolarHBondContact O-N 2.96Å
622	L	92.8	Very high	88.5	Confident	54 Å²	54	63 Å²	63	28%	0.283	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	142	172.6	-56.7	-178.3	0	0	0	110.3	T620 C625 T626 V632 I679	T620-L622 HydrophobicContact CG2-CD2 4.08Å; L622-C625 WeakPolarHBondContact CB-O 3.34Å; L622-T626 VanDerWaalsContact CD1-C 3.46Å; L622-V632 HydrophobicContact CD1-CG1 4.18Å; L622-V632 HydrophobicContact CD1-CG2 4.44Å; L622-V632 HydrophobicContact CD2-CG1 3.99Å; L622-V632 HydrophobicContact CD2-CG2 4.08Å; L622-I679 CarbonylContact C-O 3.51Å; L622-I679 HydrophobicContact CD2-CB 3.92Å; L622-I679 HydrophobicContact CD2-CD1 4.1Å; L622-I679 HydrophobicContact CD2-CG1 4.4Å
623	K	89.1	Confident	88.9	Confident	85 Å²	85	64 Å²	64	37%	0.37	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	125.3	176.8	-174.3	179	179	-77.7	0	110.3	C625 T678 I679 H680 L681	K623-C625 PolarHBondContact O-N 3.48Å; K623-T678 HydrophobicContact CB-CG2 4.36Å; K623-I679 PolarHBondContact N-O 3.48Å; K623-H680 HydrophobicContact CB-CB 4.38Å; K623-H680 PolarHBondContact NZ-NE2 3.29Å; K623-H680 WeakPolarHBondContact O-CA 3.4Å; K623-L681 PolarHBondContact O-N 3.37Å
624	H	86.9	Confident	89.2	Confident	138 Å²	138	64.7 Å²	64.7	64%	0.639	34%	0.341	S	S	*	.	S	Bend	trans	55.6	18.4	-169.4	-53.1	-64.4	0	0	0	114.8	H680 L681	H624-H680 AromaticContact CD2-CD2 3.65Å; H624-H680 AromaticContact CD2-NE2 3.44Å; H624-H680 PolarHBondContact CD2-NE2 2.89Å; H624-L681 HydrophobicContact CB-CB 4.42Å; H624-L681 WeakPolarHBondContact O-CD2 3.2Å
625	C	87.4	Confident	89.6	Confident	17 Å²	17	61.5 Å²	61.5	12%	0.115	32%	0.315	C	S	.	.			trans	-143	164	172.3	54.5	0	0	0	0	110.3	L622 K623 V632 L681	L622-C625 WeakPolarHBondContact CB-O 3.34Å; K623-C625 PolarHBondContact O-N 3.48Å; C625-V632 HydrophobicContact CB-CG2 3.84Å; C625-L681 HydrophobicContact CB-CB 4Å
626	T	87.7	Confident	89.8	Confident	83 Å²	83	60.2 Å²	60.2	51%	0.509	31%	0.307	S	S	.	.			trans	-122.6	166	178.3	58.7	0	0	0	0	110	L622 E628 S629	L622-T626 VanDerWaalsContact CD1-C 3.46Å; T626-E628 PolarHBondContact O-N 2.9Å; T626-E628 VanDerWaalsContact O-N 3.16Å; T626-S629 PolarHBondContact N-OG 2.84Å; T626-S629 WeakPolarHBondContact O-CB 3.43Å; T626-S629 PolarHBondContact O-N 3.34Å; T626-S629 PolarHBondContact O-OG 2.93Å; T626-S629 PolarHBondContact OG1-OG 2.74Å
627	G	82.9	Confident	89.9	Confident	40 Å²	40	64.6 Å²	64.6	41%	0.412	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.5	175	0	0	0	0	0	113.5	S629	G627-S629 VanDerWaalsContact C-N 3.33Å
628	E	83.4	Confident	89.9	Confident	132 Å²	132	59.9 Å²	59.9	62%	0.617	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.1	177.4	-52.8	-45.3	124.8	0	0	114.2	T626 N630 R633	T626-E628 PolarHBondContact O-N 2.9Å; T626-E628 VanDerWaalsContact O-N 3.16Å; E628-N630 PolarHBondContact O-N 2.68Å; E628-R633 PolarHBondContact O-NH1 2.92Å; E628-R633 PolarHBondContact O-NH2 3.48Å; E628-R633 IonicContact OE2-CZ 3.4Å; E628-R633 IonicContact OE2-NE 3.87Å; E628-R633 IonicContact OE2-NH2 2.74Å; E628-R633 PolarHBondContact OE2-NH2 3.1Å
629	S	89.6	Confident	90	Very high	29 Å²	29	56 Å²	56	20%	0.203	28%	0.275	C	S	.	.			trans	-68.5	128.9	179.9	-61.6	0	0	0	0	110.6	T626 G627 V631 V632 R633	T626-S629 PolarHBondContact N-OG 2.84Å; T626-S629 WeakPolarHBondContact O-CB 3.43Å; T626-S629 PolarHBondContact O-N 3.34Å; T626-S629 PolarHBondContact O-OG 2.93Å; T626-S629 PolarHBondContact OG1-OG 2.74Å; G627-S629 VanDerWaalsContact C-N 3.33Å; S629-V631 VanDerWaalsContact C-N 3.27Å; S629-V631 PolarHBondContact O-N 2.9Å; S629-V632 WeakPolarHBondContact O-CA 3.27Å; S629-V632 WeakPolarHBondContact O-CB 3.42Å; S629-V632 PolarHBondContact O-N 3.31Å; S629-R633 PolarHBondContact O-N 3.33Å; S629-R633 VanDerWaalsContact O-N 3.09Å
630	N	88.7	Confident	90	Very high	87 Å²	87	58.8 Å²	58.8	47%	0.465	29%	0.287	S	S	.	.	H	α-helix	trans	-52.7	-44	-178.3	-71.7	-10.7	0	0	0	112.5	E628 V632 R633 W634	E628-N630 PolarHBondContact O-N 2.68Å; N630-V632 VanDerWaalsContact C-N 3.26Å; N630-V632 PolarHBondContact O-N 3.4Å; N630-R633 PolarHBondContact O-N 3.25Å; N630-R633 VanDerWaalsContact O-N 3.14Å; N630-R633 PolarHBondContact OD1-NH1 2.8Å; N630-W634 HydrophobicContact CB-CD2 4.12Å; N630-W634 HydrophobicContact CB-CE3 4.11Å; N630-W634 HydrophobicContact CB-CH2 3.83Å; N630-W634 HydrophobicContact CB-CZ2 3.83Å; N630-W634 HydrophobicContact CB-CZ3 3.96Å; N630-W634 VanDerWaalsContact O-CB 3.3Å; N630-W634 WeakPolarHBondContact O-CB 3.45Å; N630-W634 PolarHBondContact O-N 2.95Å
631	V	88.7	Confident	89.8	Confident	15 Å²	15	60.9 Å²	60.9	9%	0.091	31%	0.306	C	S	.	.	H	α-helix	trans	-54.6	-38.7	175	178.6	0	0	0	0	112.7	S629 F635 L681 I701 L710	S629-V631 VanDerWaalsContact C-N 3.27Å; S629-V631 PolarHBondContact O-N 2.9Å; V631-F635 VanDerWaalsContact O-CB 3.23Å; V631-F635 WeakPolarHBondContact O-CB 3.22Å; V631-F635 PolarHBondContact O-N 2.84Å; V631-L681 HydrophobicContact CB-CD1 4.22Å; V631-L681 HydrophobicContact CG1-CD1 4.07Å; V631-L681 HydrophobicContact CG2-CD1 3.96Å; V631-I701 HydrophobicContact CG1-CB 4.2Å; V631-I701 HydrophobicContact CG1-CG2 3.7Å; V631-L710 HydrophobicContact CB-CD1 4.46Å; V631-L710 HydrophobicContact CG1-CD1 3.92Å
632	V	91.2	Very high	89.4	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.024	28%	0.277	C	S	.	.	H	α-helix	trans	-74.4	-41.1	178.9	178	0	0	0	0	111	L622 C625 S629 N630 F635 W636	L622-V632 HydrophobicContact CD1-CG1 4.18Å; L622-V632 HydrophobicContact CD1-CG2 4.44Å; L622-V632 HydrophobicContact CD2-CG1 3.99Å; L622-V632 HydrophobicContact CD2-CG2 4.08Å; C625-V632 HydrophobicContact CB-CG2 3.84Å; S629-V632 WeakPolarHBondContact O-CA 3.27Å; S629-V632 WeakPolarHBondContact O-CB 3.42Å; S629-V632 PolarHBondContact O-N 3.31Å; N630-V632 VanDerWaalsContact C-N 3.26Å; N630-V632 PolarHBondContact O-N 3.4Å; V632-F635 PolarHBondContact O-N 3.3Å; V632-W636 PolarHBondContact O-N 2.92Å; V632-W636 VanDerWaalsContact O-N 3.13Å
633	R	91.9	Very high	88.6	Confident	115 Å²	115	53.4 Å²	53.4	43%	0.434	28%	0.284	S	S	.	.	H	α-helix	trans	-63	-47.6	175	-61.8	-168.6	-170.8	126.7	-10.4	111.5	E628 S629 N630 W636 Q637	E628-R633 PolarHBondContact O-NH1 2.92Å; E628-R633 PolarHBondContact O-NH2 3.48Å; E628-R633 IonicContact OE2-CZ 3.4Å; E628-R633 IonicContact OE2-NE 3.87Å; E628-R633 IonicContact OE2-NH2 2.74Å; E628-R633 PolarHBondContact OE2-NH2 3.1Å; S629-R633 PolarHBondContact O-N 3.33Å; S629-R633 VanDerWaalsContact O-N 3.09Å; N630-R633 PolarHBondContact O-N 3.25Å; N630-R633 VanDerWaalsContact O-N 3.14Å; N630-R633 PolarHBondContact OD1-NH1 2.8Å; R633-W636 PolarHBondContact O-N 2.94Å; R633-Q637 WeakPolarHBondContact O-CB 3.29Å; R633-Q637 PolarHBondContact O-N 3.29Å
634	W	93.9	Very high	87.7	Confident	49 Å²	49	54 Å²	54	19%	0.186	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-39.7	177.5	-67.4	-23.8	0	0	0	112.7	N630 Q637 A638 Y704 Y707 L710	N630-W634 HydrophobicContact CB-CD2 4.12Å; N630-W634 HydrophobicContact CB-CE3 4.11Å; N630-W634 HydrophobicContact CB-CH2 3.83Å; N630-W634 HydrophobicContact CB-CZ2 3.83Å; N630-W634 HydrophobicContact CB-CZ3 3.96Å; N630-W634 VanDerWaalsContact O-CB 3.3Å; N630-W634 WeakPolarHBondContact O-CB 3.45Å; N630-W634 PolarHBondContact O-N 2.95Å; W634-Q637 PolarHBondContact O-N 3.06Å; W634-A638 WeakPolarHBondContact O-CB 3.36Å; W634-A638 PolarHBondContact O-N 3.35Å; W634-Y704 WeakPolarHBondContact CZ3-O 3.43Å; W634-Y707 HydrophobicContact CB-CD2 3.8Å; W634-Y707 AromaticContact CD1-CD2 3.78Å; W634-Y707 AromaticContact CG-CD2 3.91Å; W634-Y707 HydrophobicContact CG-CD2 3.91Å; W634-Y707 HydrophobicContact CG-CG 4.48Å; W634-L710 HydrophobicContact CB-CD1 3.89Å; W634-L710 HydrophobicContact CB-CD2 4.35Å; W634-L710 HydrophobicContact CE3-CD1 4.3Å
635	F	93.7	Very high	86.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.9	-51.8	172.2	178	-91.7	0	0	0	111.2	V631 V632 Q637 A638 V639 L650 F677 I679 I699 I701 L714	V631-F635 VanDerWaalsContact O-CB 3.23Å; V631-F635 WeakPolarHBondContact O-CB 3.22Å; V631-F635 PolarHBondContact O-N 2.84Å; V632-F635 PolarHBondContact O-N 3.3Å; F635-Q637 PolarHBondContact O-N 2.86Å; F635-A638 WeakPolarHBondContact O-CB 3.32Å; F635-A638 PolarHBondContact O-N 3.5Å; F635-V639 HydrophobicContact CD1-CG2 4.23Å; F635-V639 HydrophobicContact CE1-CG2 3.85Å; F635-V639 HydrophobicContact CE2-CG2 4.41Å; F635-V639 HydrophobicContact CZ-CG2 3.95Å; F635-V639 WeakPolarHBondContact O-CG2 3.49Å; F635-V639 PolarHBondContact O-N 3.19Å; F635-L650 HydrophobicContact CE2-CD1 4.46Å; F635-L650 HydrophobicContact CE2-CD2 4.19Å; F635-L650 HydrophobicContact CZ-CD2 3.94Å; F635-F677 HydrophobicContact CE1-CE1 4.25Å; F635-F677 HydrophobicContact CZ-CE1 4.12Å; F635-F677 AromaticContact CZ-CZ 3.97Å; F635-F677 HydrophobicContact CZ-CZ 3.97Å; F635-I679 HydrophobicContact CD1-CD1 3.49Å; F635-I679 VanDerWaalsContact CD1-CD1 3.49Å; F635-I679 HydrophobicContact CD1-CG1 4.47Å; F635-I679 HydrophobicContact CE1-CD1 3.68Å; F635-I679 HydrophobicContact CE1-CG1 4.34Å; F635-I679 HydrophobicContact CG-CD1 4.12Å; F635-I679 HydrophobicContact CZ-CD1 4.44Å; F635-I699 HydrophobicContact CE2-CD1 4.22Å; F635-I701 HydrophobicContact CD2-CD1 3.66Å; F635-I701 HydrophobicContact CE2-CD1 4.18Å; F635-I701 HydrophobicContact CG-CD1 4.3Å; F635-L714 HydrophobicContact CD2-CD2 3.94Å; F635-L714 HydrophobicContact CE2-CD1 4.31Å; F635-L714 HydrophobicContact CE2-CD2 4.09Å
636	W	93.9	Very high	86	Confident	13 Å²	13	55.9 Å²	55.9	5%	0.049	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-37.3	179.1	-71.5	115.8	0	0	0	113.1	W616 K617 T620 V632 R633 A638 V639 E640 I679	W616-W636 HydrophobicContact CB-CH2 4.16Å; W616-W636 HydrophobicContact CB-CZ3 4.25Å; W616-W636 AromaticContact CD1-CH2 3.61Å; W616-W636 HydrophobicContact CD2-CH2 4.14Å; W616-W636 HydrophobicContact CD2-CZ3 4.09Å; W616-W636 AromaticContact CG-CH2 3.69Å; W616-W636 HydrophobicContact CG-CH2 3.69Å; W616-W636 AromaticContact CG-CZ3 3.94Å; W616-W636 HydrophobicContact CG-CZ3 3.94Å; W616-W636 AromaticContact NE1-CH2 3.96Å; K617-W636 HydrophobicContact CB-CD2 4.4Å; K617-W636 HydrophobicContact CB-CE3 4.41Å; K617-W636 HydrophobicContact CB-CH2 4.24Å; K617-W636 HydrophobicContact CB-CZ2 4.21Å; K617-W636 HydrophobicContact CB-CZ3 4.33Å; K617-W636 HydrophobicContact CD-CD2 4.17Å; K617-W636 HydrophobicContact CD-CG 4.19Å; K617-W636 HydrophobicContact CG-CD2 3.96Å; K617-W636 HydrophobicContact CG-CE3 4.41Å; K617-W636 HydrophobicContact CG-CG 4.29Å; K617-W636 HydrophobicContact CG-CZ2 4.22Å; T620-W636 HydrophobicContact CG2-CZ2 3.98Å; T620-W636 WeakPolarHBondContact OG1-CZ2 3.46Å; V632-W636 PolarHBondContact O-N 2.92Å; V632-W636 VanDerWaalsContact O-N 3.13Å; R633-W636 PolarHBondContact O-N 2.94Å; W636-A638 VanDerWaalsContact C-N 3.32Å; W636-A638 PolarHBondContact O-N 2.79Å; W636-V639 HydrophobicContact CE3-CB 4.27Å; W636-V639 HydrophobicContact CE3-CG1 4.33Å; W636-V639 HydrophobicContact CZ3-CG1 4.29Å; W636-V639 PolarHBondContact O-N 2.96Å; W636-E640 VanDerWaalsContact O-CB 3.32Å; W636-E640 WeakPolarHBondContact O-CB 3.47Å; W636-E640 VanDerWaalsContact O-CG 3.24Å; W636-E640 WeakPolarHBondContact O-CG 3.28Å; W636-E640 PolarHBondContact O-N 3.15Å; W636-I679 HydrophobicContact CZ2-CD1 4.23Å
637	Q	92.1	Very high	85.7	Confident	93 Å²	93	53.9 Å²	53.9	44%	0.435	28%	0.275	S	S	.	.	H	α-helix	trans	-59.6	-41.3	173.2	-177.6	-176.9	-14.2	0	0	111.9	R633 W634 F635 A641 Y707	R633-Q637 WeakPolarHBondContact O-CB 3.29Å; R633-Q637 PolarHBondContact O-N 3.29Å; W634-Q637 PolarHBondContact O-N 3.06Å; F635-Q637 PolarHBondContact O-N 2.86Å; Q637-A641 WeakPolarHBondContact O-CB 3.15Å; Q637-A641 PolarHBondContact O-N 3.48Å; Q637-Y707 HydrophobicContact CB-CE2 3.86Å; Q637-Y707 VanDerWaalsContact CD-CE2 3.47Å; Q637-Y707 HydrophobicContact CG-CD2 4.35Å; Q637-Y707 HydrophobicContact CG-CE2 3.61Å
638	A	90.8	Very high	85.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.6	-44.3	174.6	0	0	0	0	0	112	W634 F635 W636 A641 F642 Y707 Y711 L714	W634-A638 WeakPolarHBondContact O-CB 3.36Å; W634-A638 PolarHBondContact O-N 3.35Å; F635-A638 WeakPolarHBondContact O-CB 3.32Å; F635-A638 PolarHBondContact O-N 3.5Å; W636-A638 VanDerWaalsContact C-N 3.32Å; W636-A638 PolarHBondContact O-N 2.79Å; A638-A641 CarbonylContact O-C 3.57Å; A638-A641 PolarHBondContact O-N 2.88Å; A638-F642 WeakPolarHBondContact O-CD1 3.23Å; A638-F642 VanDerWaalsContact O-CG 3.29Å; A638-F642 WeakPolarHBondContact O-CG 3.13Å; A638-F642 PolarHBondContact O-N 3.05Å; A638-Y707 HydrophobicContact CB-CE2 4.36Å; A638-Y711 HydrophobicContact CB-CD2 3.67Å; A638-Y711 HydrophobicContact CB-CE2 4.23Å; A638-L714 HydrophobicContact CB-CD2 4.23Å
639	V	90.6	Very high	84.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.1	-37.5	178.3	176.6	0	0	0	0	112.4	L613 W616 F635 W636 A641 F642 R647 L650	L613-V639 HydrophobicContact CD2-CG1 3.69Å; W616-V639 HydrophobicContact CE3-CG1 4.23Å; W616-V639 HydrophobicContact CZ3-CG1 4Å; F635-V639 HydrophobicContact CD1-CG2 4.23Å; F635-V639 HydrophobicContact CE1-CG2 3.85Å; F635-V639 HydrophobicContact CE2-CG2 4.41Å; F635-V639 HydrophobicContact CZ-CG2 3.95Å; F635-V639 WeakPolarHBondContact O-CG2 3.49Å; F635-V639 PolarHBondContact O-N 3.19Å; W636-V639 HydrophobicContact CE3-CB 4.27Å; W636-V639 HydrophobicContact CE3-CG1 4.33Å; W636-V639 HydrophobicContact CZ3-CG1 4.29Å; W636-V639 PolarHBondContact O-N 2.96Å; V639-A641 VanDerWaalsContact C-N 3.33Å; V639-F642 PolarHBondContact O-N 2.9Å; V639-R647 HydrophobicContact CG1-CG 4.35Å; V639-R647 PolarHBondContact O-NE 3.03Å; V639-L650 HydrophobicContact CG2-CD2 3.39Å
640	E	91	Very high	84	Confident	93 Å²	93	49 Å²	49	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-63.4	-39.7	172.5	-74.4	165.8	-154.5	0	0	110.5	L613 K617 W636 R647	L613-E640 HydrophobicContact CD1-CB 4.45Å; L613-E640 HydrophobicContact CD1-CG 3.88Å; K617-E640 IonicContact NZ-OE1 3.65Å; K617-E640 PolarHBondContact NZ-OE1 2.87Å; W636-E640 VanDerWaalsContact O-CB 3.32Å; W636-E640 WeakPolarHBondContact O-CB 3.47Å; W636-E640 VanDerWaalsContact O-CG 3.24Å; W636-E640 WeakPolarHBondContact O-CG 3.28Å; W636-E640 PolarHBondContact O-N 3.15Å; E640-R647 PolarHBondContact O-NH2 2.7Å
641	A	87.4	Confident	83.6	Confident	64 Å²	64	44.9 Å²	44.9	53%	0.529	21%	0.214	S	C	.	.	H	α-helix	trans	-74.1	-18.3	175.3	0	0	0	0	0	115.3	Q637 A638 V639 Y711	Q637-A641 WeakPolarHBondContact O-CB 3.15Å; Q637-A641 PolarHBondContact O-N 3.48Å; A638-A641 CarbonylContact O-C 3.57Å; A638-A641 PolarHBondContact O-N 2.88Å; V639-A641 VanDerWaalsContact C-N 3.33Å; A641-Y711 HydrophobicContact CB-CE2 4.49Å
642	F	83.7	Confident	82.7	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.018	22%	0.217	C	C	.	.	S	Bend	trans	-72.1	146.4	178.6	-75.1	-4.1	0	0	0	113.1	A638 V639 R646 R647 L650 Y711 L714 L715	A638-F642 WeakPolarHBondContact O-CD1 3.23Å; A638-F642 VanDerWaalsContact O-CG 3.29Å; A638-F642 WeakPolarHBondContact O-CG 3.13Å; A638-F642 PolarHBondContact O-N 3.05Å; V639-F642 PolarHBondContact O-N 2.9Å; F642-R646 HydrophobicContact CB-CB 3.81Å; F642-R646 HydrophobicContact CD2-CB 4.09Å; F642-R646 HydrophobicContact CG-CB 3.91Å; F642-R647 HydrophobicContact CB-CG 3.84Å; F642-R647 PolarHBondContact O-NE 3.18Å; F642-R647 PolarHBondContact O-NH2 2.84Å; F642-L650 HydrophobicContact CD2-CD2 4.45Å; F642-L650 HydrophobicContact CE2-CD2 4.25Å; F642-Y711 HydrophobicContact CD1-CE2 4.09Å; F642-Y711 HydrophobicContact CE1-CD2 4.29Å; F642-Y711 AromaticContact CE1-CE2 3.59Å; F642-Y711 HydrophobicContact CE1-CE2 3.59Å; F642-Y711 AromaticContact CE1-CZ 3.85Å; F642-L714 HydrophobicContact CE2-CD2 4.4Å; F642-L714 HydrophobicContact CZ-CD2 4.32Å; F642-L715 HydrophobicContact CE1-CD1 4.24Å; F642-L715 HydrophobicContact CZ-CD1 4.31Å
643	S	75.4	Confident	82	Confident	61 Å²	61	46.2 Å²	46.2	43%	0.427	22%	0.219	S	C	.	.			trans	-66.9	162.3	166.7	61.7	0	0	0	0	111.3	E645 R646 R647	S643-E645 PolarHBondContact O-N 2.87Å; S643-R646 PolarHBondContact O-N 2.81Å; S643-R646 PolarHBondContact OG-N 3.19Å; S643-R647 WeakPolarHBondContact O-CG 3.41Å; S643-R647 PolarHBondContact O-N 2.84Å
644	E	71.5	Confident	81.3	Confident	96 Å²	96	40.7 Å²	40.7	45%	0.449	20%	0.198	S	C	.	.	H	α-helix	trans	-58.4	-35.4	177.6	-66	-158.1	148.5	0	0	112.8	R647 G648	E644-R647 PolarHBondContact O-N 2.74Å; E644-G648 PolarHBondContact O-N 2.85Å
645	E	65.1	Low	80.2	Confident	121 Å²	121	38.4 Å²	38.4	57%	0.565	19%	0.19	S	C	*	.	H	α-helix	trans	-60	-48.3	172.4	-174.2	-170.6	166.8	0	0	112	S643 G648 R649	S643-E645 PolarHBondContact O-N 2.87Å; E645-G648 PolarHBondContact O-N 2.85Å; E645-R649 PolarHBondContact O-N 3.01Å; E645-R649 IonicContact OE1-CZ 2.7Å; E645-R649 VanDerWaalsContact OE1-CZ 3.29Å; E645-R649 IonicContact OE1-NH1 2.96Å; E645-R649 IonicContact OE1-NH2 3.51Å; E645-R649 PolarHBondContact OE1-NH2 3.13Å
646	R	72.3	Confident	78.6	Confident	75 Å²	75	38.5 Å²	38.5	28%	0.283	19%	0.19	S	C	.	.	H	α-helix	trans	-68.2	-35.8	178.7	-79	-179.7	164.3	170.7	-5.9	112.4	F642 S643 G648 R649 L650 E719	F642-R646 HydrophobicContact CB-CB 3.81Å; F642-R646 HydrophobicContact CD2-CB 4.09Å; F642-R646 HydrophobicContact CG-CB 3.91Å; S643-R646 PolarHBondContact O-N 2.81Å; S643-R646 PolarHBondContact OG-N 3.19Å; R646-G648 VanDerWaalsContact C-N 3.34Å; R646-R649 PolarHBondContact O-N 2.93Å; R646-L650 WeakPolarHBondContact O-CB 3.22Å; R646-L650 PolarHBondContact O-N 2.92Å; R646-E719 IonicContact CZ-OE1 2.74Å; R646-E719 VanDerWaalsContact CZ-OE1 3.29Å; R646-E719 IonicContact NE-OE1 2.68Å; R646-E719 PolarHBondContact NE-OE1 2.75Å; R646-E719 IonicContact NH2-OE1 2.93Å; R646-E719 PolarHBondContact NH2-OE1 2.68Å; R646-E719 IonicContact NH2-OE2 3.27Å
647	R	82	Confident	77.1	Confident	41 Å²	41	38.7 Å²	38.7	16%	0.155	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-41.4	170.5	-67	172.3	-173.8	157.8	8.8	111.1	I611 W616 V639 E640 F642 S643 E644 L650 L651	I611-R647 HydrophobicContact CD1-CB 3.83Å; W616-R647 HydrophobicContact CZ3-CB 4.39Å; V639-R647 HydrophobicContact CG1-CG 4.35Å; V639-R647 PolarHBondContact O-NE 3.03Å; E640-R647 PolarHBondContact O-NH2 2.7Å; F642-R647 HydrophobicContact CB-CG 3.84Å; F642-R647 PolarHBondContact O-NE 3.18Å; F642-R647 PolarHBondContact O-NH2 2.84Å; S643-R647 WeakPolarHBondContact O-CG 3.41Å; S643-R647 PolarHBondContact O-N 2.84Å; E644-R647 PolarHBondContact O-N 2.74Å; R647-L650 PolarHBondContact O-N 2.98Å; R647-L651 WeakPolarHBondContact O-CB 3.31Å; R647-L651 PolarHBondContact O-N 3.03Å
648	G	71.8	Confident	75.6	Confident	8 Å²	8	35.1 Å²	35.1	8%	0.082	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-45.4	173.4	0	0	0	0	0	112.8	E644 E645 R646 L651 Q652	E644-G648 PolarHBondContact O-N 2.85Å; E645-G648 PolarHBondContact O-N 2.85Å; R646-G648 VanDerWaalsContact C-N 3.34Å; G648-L651 PolarHBondContact O-N 3.42Å; G648-Q652 WeakPolarHBondContact O-CB 3.36Å; G648-Q652 PolarHBondContact O-N 2.8Å
649	R	67.9	Low	74.6	Confident	91 Å²	91	37.7 Å²	37.7	34%	0.343	19%	0.188	S	C	.	.	H	α-helix	trans	-64.3	-41.2	174.6	-71.3	-167.8	-178.2	134.7	14.7	112.7	E645 R646 L651 Q652 F653 V718	E645-R649 PolarHBondContact O-N 3.01Å; E645-R649 IonicContact OE1-CZ 2.7Å; E645-R649 VanDerWaalsContact OE1-CZ 3.29Å; E645-R649 IonicContact OE1-NH1 2.96Å; E645-R649 IonicContact OE1-NH2 3.51Å; E645-R649 PolarHBondContact OE1-NH2 3.13Å; R646-R649 PolarHBondContact O-N 2.93Å; R649-L651 VanDerWaalsContact C-N 3.34Å; R649-L651 PolarHBondContact O-N 3.39Å; R649-Q652 WeakPolarHBondContact O-CB 3.14Å; R649-Q652 PolarHBondContact O-N 2.84Å; R649-F653 WeakPolarHBondContact O-CB 3.45Å; R649-F653 PolarHBondContact O-N 2.93Å; R649-V718 HydrophobicContact CB-CG1 3.48Å; R649-V718 VanDerWaalsContact CB-CG1 3.48Å
650	L	79.6	Confident	73.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-41.7	174	175.6	64.3	0	0	0	111.6	W616 F635 V639 F642 R646 R647 Q652 F653 V654 I699 L714 V718	W616-L650 HydrophobicContact CH2-CD2 4.1Å; W616-L650 HydrophobicContact CH2-CG 4.25Å; F635-L650 HydrophobicContact CE2-CD1 4.46Å; F635-L650 HydrophobicContact CE2-CD2 4.19Å; F635-L650 HydrophobicContact CZ-CD2 3.94Å; V639-L650 HydrophobicContact CG2-CD2 3.39Å; F642-L650 HydrophobicContact CD2-CD2 4.45Å; F642-L650 HydrophobicContact CE2-CD2 4.25Å; R646-L650 WeakPolarHBondContact O-CB 3.22Å; R646-L650 PolarHBondContact O-N 2.92Å; R647-L650 PolarHBondContact O-N 2.98Å; L650-Q652 VanDerWaalsContact C-N 3.29Å; L650-Q652 PolarHBondContact O-N 2.85Å; L650-F653 HydrophobicContact CD1-CD1 4.32Å; L650-F653 PolarHBondContact O-N 2.91Å; L650-V654 HydrophobicContact CD1-CG2 4.14Å; L650-V654 WeakPolarHBondContact O-CG2 3.49Å; L650-V654 PolarHBondContact O-N 3.29Å; L650-V654 VanDerWaalsContact O-N 3.09Å; L650-I699 HydrophobicContact CD1-CD1 4.45Å; L650-L714 HydrophobicContact CD1-CD1 3.9Å; L650-V718 HydrophobicContact CB-CG1 4.42Å; L650-V718 HydrophobicContact CB-CG2 4.07Å; L650-V718 HydrophobicContact CD1-CG2 3.65Å; L650-V718 HydrophobicContact CG-CG2 4.46Å
651	L	80.8	Confident	72.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-39.8	174.8	-170.7	64.9	0	0	0	111.1	I611 W616 R647 G648 R649 V654 T655 S657 V660 F665	I611-L651 HydrophobicContact CD1-CD2 4.21Å; W616-L651 HydrophobicContact CH2-CB 4.12Å; W616-L651 HydrophobicContact CH2-CD1 4.24Å; W616-L651 HydrophobicContact CZ2-CD1 3.89Å; R647-L651 WeakPolarHBondContact O-CB 3.31Å; R647-L651 PolarHBondContact O-N 3.03Å; G648-L651 PolarHBondContact O-N 3.42Å; R649-L651 VanDerWaalsContact C-N 3.34Å; R649-L651 PolarHBondContact O-N 3.39Å; L651-V654 PolarHBondContact O-N 2.82Å; L651-T655 HydrophobicContact CD1-CG2 3.84Å; L651-T655 HydrophobicContact CG-CG2 4.48Å; L651-T655 WeakPolarHBondContact O-CB 3.43Å; L651-T655 PolarHBondContact O-N 2.79Å; L651-T655 PolarHBondContact O-OG1 3.15Å; L651-S657 CarbonylContact C-O 3.57Å; L651-S657 WeakPolarHBondContact CG-O 3.45Å; L651-V660 HydrophobicContact CD2-CG2 3.64Å; L651-F665 HydrophobicContact CD1-CE1 3.6Å; L651-F665 HydrophobicContact CD1-CZ 4.09Å; L651-F665 HydrophobicContact CD2-CZ 4.41Å
652	Q	70.5	Confident	71.5	Confident	32 Å²	32	31.7 Å²	31.7	15%	0.15	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-44.9	175.6	-178.4	178.5	5.9	0	0	112.3	G648 R649 L650 V654 G656 S657 T658	G648-Q652 WeakPolarHBondContact O-CB 3.36Å; G648-Q652 PolarHBondContact O-N 2.8Å; R649-Q652 WeakPolarHBondContact O-CB 3.14Å; R649-Q652 PolarHBondContact O-N 2.84Å; L650-Q652 VanDerWaalsContact C-N 3.29Å; L650-Q652 PolarHBondContact O-N 2.85Å; Q652-V654 VanDerWaalsContact C-N 3.3Å; Q652-V654 PolarHBondContact O-N 3.42Å; Q652-G656 WeakPolarHBondContact O-CA 3.17Å; Q652-G656 PolarHBondContact O-N 2.83Å; Q652-S657 VanDerWaalsContact CA-O 3.28Å; Q652-S657 WeakPolarHBondContact CA-O 3.5Å; Q652-S657 PolarHBondContact N-O 3.28Å; Q652-S657 VanDerWaalsContact N-O 3.1Å; Q652-T658 HydrophobicContact CB-CG2 3.77Å; Q652-T658 HydrophobicContact CG-CG2 4.24Å
653	F	75.4	Confident	70.7	Confident	14 Å²	14	32.6 Å²	32.6	6%	0.061	16%	0.155	C	C	.	.	H	α-helix	trans	-54.7	-47	174.9	173.4	-117.9	0	0	0	111	R649 L650 P690 A692 T694 I699 A717 V718 T721	R649-F653 WeakPolarHBondContact O-CB 3.45Å; R649-F653 PolarHBondContact O-N 2.93Å; L650-F653 HydrophobicContact CD1-CD1 4.32Å; L650-F653 PolarHBondContact O-N 2.91Å; F653-P690 WeakPolarHBondContact CZ-O 3.29Å; F653-A692 HydrophobicContact CD1-CB 4.01Å; F653-A692 HydrophobicContact CD2-CB 3.98Å; F653-A692 HydrophobicContact CE1-CB 3.8Å; F653-A692 HydrophobicContact CE2-CB 3.75Å; F653-A692 HydrophobicContact CG-CB 4.11Å; F653-A692 HydrophobicContact CZ-CB 3.66Å; F653-A692 WeakPolarHBondContact O-CB 3.46Å; F653-T694 VanDerWaalsContact O-CG2 3.28Å; F653-T694 WeakPolarHBondContact O-CG2 3.41Å; F653-I699 HydrophobicContact CD1-CD1 4.35Å; F653-I699 HydrophobicContact CE1-CD1 3.94Å; F653-I699 HydrophobicContact CE1-CG1 4.28Å; F653-A717 HydrophobicContact CE1-CB 4.41Å; F653-A717 HydrophobicContact CZ-CB 4.09Å; F653-V718 HydrophobicContact CB-CG2 4.42Å; F653-V718 HydrophobicContact CD1-CG2 4.25Å; F653-V718 HydrophobicContact CG-CG2 4.49Å; F653-T721 HydrophobicContact CD2-CG2 3.68Å; F653-T721 WeakPolarHBondContact CD2-OG1 3.39Å; F653-T721 HydrophobicContact CE2-CG2 3.59Å
654	V	77	Confident	70.8	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-86	-24.4	-174	-175.1	0	0	0	0	114.6	L650 L651 Q652 F677 T694 N697 I699	L650-V654 HydrophobicContact CD1-CG2 4.14Å; L650-V654 WeakPolarHBondContact O-CG2 3.49Å; L650-V654 PolarHBondContact O-N 3.29Å; L650-V654 VanDerWaalsContact O-N 3.09Å; L651-V654 PolarHBondContact O-N 2.82Å; Q652-V654 VanDerWaalsContact C-N 3.3Å; Q652-V654 PolarHBondContact O-N 3.42Å; V654-F677 HydrophobicContact CB-CD2 4.48Å; V654-F677 HydrophobicContact CB-CE2 3.63Å; V654-F677 HydrophobicContact CB-CZ 4.23Å; V654-F677 HydrophobicContact CG1-CD2 3.93Å; V654-F677 HydrophobicContact CG1-CE2 3.35Å; V654-F677 HydrophobicContact CG1-CZ 3.85Å; V654-F677 HydrophobicContact CG2-CE2 4.05Å; V654-F677 HydrophobicContact CG2-CZ 4.18Å; V654-T694 WeakPolarHBondContact O-CA 3.29Å; V654-N697 WeakPolarHBondContact O-CA 3.28Å; V654-I699 HydrophobicContact CG1-CB 3.99Å; V654-I699 HydrophobicContact CG2-CB 3.77Å; V654-I699 HydrophobicContact CG2-CD1 3.94Å; V654-I699 HydrophobicContact CG2-CG1 4.18Å; V654-I699 HydrophobicContact CG2-CG2 4.45Å
655	T	71.4	Confident	71.3	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-125.6	-7.8	-173.5	75.2	0	0	0	0	114.8	R418 L651 S657 L668 F677 N697	R418-T655 VanDerWaalsContact CD-O 3.32Å; R418-T655 WeakPolarHBondContact CD-O 3.04Å; R418-T655 PolarHBondContact NH1-O 3Å; L651-T655 HydrophobicContact CD1-CG2 3.84Å; L651-T655 HydrophobicContact CG-CG2 4.48Å; L651-T655 WeakPolarHBondContact O-CB 3.43Å; L651-T655 PolarHBondContact O-N 2.79Å; L651-T655 PolarHBondContact O-OG1 3.15Å; T655-S657 PolarHBondContact O-N 3.21Å; T655-S657 PolarHBondContact OG1-N 2.97Å; T655-S657 PolarHBondContact OG1-O 3.03Å; T655-L668 HydrophobicContact CG2-CD2 4.46Å; T655-F677 HydrophobicContact CG2-CD2 4.29Å; T655-N697 WeakPolarHBondContact CB-OD1 3.14Å; T655-N697 HydrophobicContact CG2-CB 4.11Å
656	G	60.6	Low	72.1	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.01	12%	0.115	C	C	.	.	S	Bend	trans	75.9	-0.7	-170.7	0	0	0	0	0	114.7	R418 Q652	R418-G656 WeakPolarHBondContact CB-O 3.41Å; Q652-G656 WeakPolarHBondContact O-CA 3.17Å; Q652-G656 PolarHBondContact O-N 2.83Å
657	S	62.8	Low	72.4	Confident	18 Å²	18	22.8 Å²	22.8	13%	0.126	11%	0.108	C	C	.	.			trans	-128	137.5	-179.4	-170.6	0	0	0	0	112.3	L651 Q652 T655 R659	L651-S657 CarbonylContact C-O 3.57Å; L651-S657 WeakPolarHBondContact CG-O 3.45Å; Q652-S657 VanDerWaalsContact CA-O 3.28Å; Q652-S657 WeakPolarHBondContact CA-O 3.5Å; Q652-S657 PolarHBondContact N-O 3.28Å; Q652-S657 VanDerWaalsContact N-O 3.1Å; T655-S657 PolarHBondContact O-N 3.21Å; T655-S657 PolarHBondContact OG1-N 2.97Å; T655-S657 PolarHBondContact OG1-O 3.03Å; S657-R659 PolarHBondContact O-N 2.81Å; S657-R659 PolarHBondContact OG-N 3.23Å; S657-R659 PolarHBondContact OG-O 3.01Å
658	T	60.1	Low	72	Confident	18 Å²	18	21.1 Å²	21.1	11%	0.11	10%	0.103	C	C	.	.	S	Bend	trans	-78.4	-3.3	169.1	50.6	0	0	0	0	113.6	Y422 Q652	Y422-T658 HydrophobicContact CD2-CG2 4.1Å; Y422-T658 HydrophobicContact CE2-CG2 3.48Å; Y422-T658 VanDerWaalsContact CE2-CG2 3.48Å; Q652-T658 HydrophobicContact CB-CG2 3.77Å; Q652-T658 HydrophobicContact CG-CG2 4.24Å
659	R	69.1	Low	71.7	Confident	53 Å²	53	23.4 Å²	23.4	20%	0.2	11%	0.111	C	C	.	.	S	Bend	trans	-120.7	143.7	-168.2	-58.8	-64.9	-171.1	-160.2	2.8	111.5	Y478 N480 G606 G609 S657	Y478-R659 HydrophobicContact CD2-CB 4.12Å; Y478-R659 HydrophobicContact CG-CB 4.18Å; N480-R659 PolarHBondContact OD1-NE 3.29Å; N480-R659 PolarHBondContact OD1-NH2 3.1Å; G606-R659 WeakPolarHBondContact O-CD 3.33Å; G606-R659 VanDerWaalsContact O-CG 3.23Å; G606-R659 WeakPolarHBondContact O-CG 3.42Å; G606-R659 PolarHBondContact O-NE 2.8Å; G609-R659 VanDerWaalsContact CA-NH1 3.32Å; S657-R659 PolarHBondContact O-N 2.81Å; S657-R659 PolarHBondContact OG-N 3.23Å; S657-R659 PolarHBondContact OG-O 3.01Å
660	V	73.5	Confident	71.5	Confident	3 Å²	3	19.5 Å²	19.5	2%	0.018	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-93.3	141.9	177.1	-172.6	0	0	0	0	109	L608 I611 L651 F665	L608-V660 HydrophobicContact CB-CB 4.23Å; L608-V660 WeakPolarHBondContact CB-O 3.22Å; L608-V660 PolarHBondContact N-O 3.43Å; L608-V660 PolarHBondContact O-N 2.93Å; I611-V660 HydrophobicContact CG1-CG2 4.01Å; L651-V660 HydrophobicContact CD2-CG2 3.64Å; V660-F665 HydrophobicContact CB-CE2 4.35Å; V660-F665 HydrophobicContact CG1-CD2 3.78Å; V660-F665 HydrophobicContact CG1-CE2 3.76Å; V660-F665 HydrophobicContact CG1-CG 4.32Å; V660-F665 HydrophobicContact CG1-CZ 4.28Å; V660-F665 HydrophobicContact CG2-CD2 4.41Å; V660-F665 HydrophobicContact CG2-CE1 4.41Å; V660-F665 HydrophobicContact CG2-CE2 3.56Å; V660-F665 HydrophobicContact CG2-CZ 3.55Å
661	P	66.1	Low	70.3	Confident	4 Å²	4	20.5 Å²	20.5	3%	0.026	11%	0.106	C	C	.	.			trans	-57.9	151.4	170.1	-23.8	34.5	0	0	0	111.8	Y478 L608 Q663 G664 A667 L668	Y478-P661 HydrophobicContact CE2-CG 4.33Å; Y478-P661 WeakPolarHBondContact OH-CA 3.27Å; L608-P661 WeakPolarHBondContact CD1-O 3.44Å; P661-Q663 PolarHBondContact O-N 3.19Å; P661-Q663 VanDerWaalsContact O-N 3.12Å; P661-G664 WeakPolarHBondContact O-CA 3.42Å; P661-G664 PolarHBondContact O-N 2.96Å; P661-A667 HydrophobicContact CB-CB 4.3Å; P661-L668 HydrophobicContact CG-CD2 4.31Å
662	L	65.8	Low	69	Low	25 Å²	25	25.3 Å²	25.3	13%	0.131	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-40.1	177.8	178.8	71.7	0	0	0	113.3	L351 V352 L603 L608 G664	L351-L662 HydrophobicContact CB-CD2 4.27Å; L351-L662 HydrophobicContact CD2-CD1 4.09Å; L351-L662 HydrophobicContact CD2-CD2 3.39Å; L351-L662 HydrophobicContact CD2-CG 4.39Å; L351-L662 HydrophobicContact CG-CD2 3.43Å; L351-L662 VanDerWaalsContact CG-CD2 3.43Å; V352-L662 HydrophobicContact CG2-CD2 3.88Å; V352-L662 HydrophobicContact CG2-CG 4.4Å; L603-L662 HydrophobicContact CD1-CD1 4.14Å; L608-L662 HydrophobicContact CD2-CD1 4.32Å; L662-G664 PolarHBondContact O-N 3.28Å; L662-G664 VanDerWaalsContact O-N 3.15Å
663	Q	66.4	Low	68.6	Low	22 Å²	22	25 Å²	25	10%	0.103	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	14.1	178.4	-56.5	81.2	13.5	0	0	113.4	V352 P661 K666 A667	V352-Q663 HydrophobicContact CB-CG 4.35Å; V352-Q663 HydrophobicContact CG1-CG 3.75Å; V352-Q663 HydrophobicContact CG2-CG 3.66Å; P661-Q663 PolarHBondContact O-N 3.19Å; P661-Q663 VanDerWaalsContact O-N 3.12Å; Q663-K666 WeakPolarHBondContact O-CE 3.44Å; Q663-K666 WeakPolarHBondContact O-CG 3.35Å; Q663-A667 HydrophobicContact CB-CB 3.61Å; Q663-A667 HydrophobicContact CG-CB 4.38Å
664	G	76.8	Confident	68.3	Low	8 Å²	8	29.5 Å²	29.5	8%	0.082	18%	0.182	C	C	.	.			trans	72	-167.5	-176.7	0	0	0	0	0	114.3	D615 P661 L662 K666 A667	D615-G664 VanDerWaalsContact OD2-CA 3.25Å; D615-G664 WeakPolarHBondContact OD2-CA 3.41Å; P661-G664 WeakPolarHBondContact O-CA 3.42Å; P661-G664 PolarHBondContact O-N 2.96Å; L662-G664 PolarHBondContact O-N 3.28Å; L662-G664 VanDerWaalsContact O-N 3.15Å; G664-K666 VanDerWaalsContact C-N 3.26Å; G664-K666 PolarHBondContact O-N 3.07Å; G664-A667 PolarHBondContact O-N 3.2Å; G664-A667 VanDerWaalsContact O-N 3.12Å
665	F	82.9	Confident	68.3	Low	1 Å²	1	34.3 Å²	34.3	0%	0.004	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-65.4	-24.5	-173.3	-79.3	-94.3	0	0	0	113.8	I611 D615 W616 N619 L651 V660 A667 L668	I611-F665 HydrophobicContact CG2-CE2 4.07Å; I611-F665 HydrophobicContact CG2-CZ 3.96Å; D615-F665 WeakPolarHBondContact OD2-CD2 3.17Å; D615-F665 PolarHBondContact OD2-N 3.26Å; W616-F665 HydrophobicContact CB-CD1 4.08Å; W616-F665 HydrophobicContact CB-CD2 3.73Å; W616-F665 HydrophobicContact CB-CE1 3.94Å; W616-F665 HydrophobicContact CB-CE2 3.55Å; W616-F665 HydrophobicContact CB-CG 4Å; W616-F665 HydrophobicContact CB-CZ 3.68Å; W616-F665 AromaticContact CD1-CD1 3.33Å; W616-F665 AromaticContact CD1-CE1 3.23Å; W616-F665 AromaticContact CD1-CZ 3.86Å; W616-F665 HydrophobicContact CD2-CD1 4.29Å; W616-F665 AromaticContact CD2-CE1 3.44Å; W616-F665 HydrophobicContact CD2-CE1 3.44Å; W616-F665 VanDerWaalsContact CD2-CE1 3.44Å; W616-F665 HydrophobicContact CD2-CE2 4.2Å; W616-F665 AromaticContact CD2-CZ 3.39Å; W616-F665 HydrophobicContact CD2-CZ 3.39Å; W616-F665 AromaticContact CE2-CE1 3.52Å; W616-F665 AromaticContact CE2-CZ 3.91Å; W616-F665 HydrophobicContact CE3-CE1 4.21Å; W616-F665 HydrophobicContact CE3-CE2 4.49Å; W616-F665 AromaticContact CE3-CZ 3.73Å; W616-F665 HydrophobicContact CE3-CZ 3.73Å; W616-F665 AromaticContact CG-CD1 3.66Å; W616-F665 HydrophobicContact CG-CD1 3.66Å; W616-F665 HydrophobicContact CG-CD2 4.17Å; W616-F665 AromaticContact CG-CE1 3.28Å; W616-F665 HydrophobicContact CG-CE1 3.28Å; W616-F665 AromaticContact CG-CE2 3.83Å; W616-F665 HydrophobicContact CG-CE2 3.83Å; W616-F665 HydrophobicContact CG-CG 4.11Å; W616-F665 AromaticContact CG-CZ 3.38Å; W616-F665 HydrophobicContact CG-CZ 3.38Å; W616-F665 HydrophobicContact CZ2-CE1 4.3Å; W616-F665 HydrophobicContact CZ3-CZ 4.46Å; W616-F665 AromaticContact NE1-CD1 3.84Å; W616-F665 AromaticContact NE1-CE1 3.42Å; N619-F665 HydrophobicContact CB-CB 3.72Å; L651-F665 HydrophobicContact CD1-CE1 3.6Å; L651-F665 HydrophobicContact CD1-CZ 4.09Å; L651-F665 HydrophobicContact CD2-CZ 4.41Å; V660-F665 HydrophobicContact CB-CE2 4.35Å; V660-F665 HydrophobicContact CG1-CD2 3.78Å; V660-F665 HydrophobicContact CG1-CE2 3.76Å; V660-F665 HydrophobicContact CG1-CG 4.32Å; V660-F665 HydrophobicContact CG1-CZ 4.28Å; V660-F665 HydrophobicContact CG2-CD2 4.41Å; V660-F665 HydrophobicContact CG2-CE1 4.41Å; V660-F665 HydrophobicContact CG2-CE2 3.56Å; V660-F665 HydrophobicContact CG2-CZ 3.55Å; F665-A667 PolarHBondContact O-N 2.82Å; F665-L668 HydrophobicContact CD1-CD1 3.65Å; F665-L668 HydrophobicContact CD1-CG 4.3Å; F665-L668 HydrophobicContact CE1-CD1 4.32Å; F665-L668 WeakPolarHBondContact O-CG 3.37Å; F665-L668 PolarHBondContact O-N 3.37Å
666	K	81.9	Confident	69	Low	122 Å²	122	37.4 Å²	37.4	53%	0.53	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-59	-23.9	172.2	62.7	-173.8	172.8	-161.6	0	114.1	N619 Q663 G664	N619-K666 WeakPolarHBondContact OD1-CB 3.34Å; Q663-K666 WeakPolarHBondContact O-CE 3.44Å; Q663-K666 WeakPolarHBondContact O-CG 3.35Å; G664-K666 VanDerWaalsContact C-N 3.26Å; G664-K666 PolarHBondContact O-N 3.07Å
667	A	77.5	Confident	70.4	Confident	16 Å²	16	37.3 Å²	37.3	13%	0.132	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-109.2	14.3	-177	0	0	0	0	0	114.1	P661 Q663 G664 F665 Q669	P661-A667 HydrophobicContact CB-CB 4.3Å; Q663-A667 HydrophobicContact CB-CB 3.61Å; Q663-A667 HydrophobicContact CG-CB 4.38Å; G664-A667 PolarHBondContact O-N 3.2Å; G664-A667 VanDerWaalsContact O-N 3.12Å; F665-A667 PolarHBondContact O-N 2.82Å; A667-Q669 PolarHBondContact O-N 2.85Å; A667-Q669 PolarHBondContact O-NE2 3.13Å
668	L	73.5	Confident	71.7	Confident	7 Å²	7	37 Å²	37	4%	0.037	21%	0.213	C	C	.	.			trans	-50.1	137.7	169.6	-81.8	175.2	0	0	0	110.7	T655 P661 F665 P674 R675 F677	T655-L668 HydrophobicContact CG2-CD2 4.46Å; P661-L668 HydrophobicContact CG-CD2 4.31Å; F665-L668 HydrophobicContact CD1-CD1 3.65Å; F665-L668 HydrophobicContact CD1-CG 4.3Å; F665-L668 HydrophobicContact CE1-CD1 4.32Å; F665-L668 WeakPolarHBondContact O-CG 3.37Å; F665-L668 PolarHBondContact O-N 3.37Å; L668-P674 CarbonylContact O-C 3.6Å; L668-P674 WeakPolarHBondContact O-CA 3.49Å; L668-R675 VanDerWaalsContact CB-O 3.27Å; L668-R675 WeakPolarHBondContact CB-O 3.29Å; L668-R675 PolarHBondContact O-N 3.25Å; L668-F677 HydrophobicContact CD1-CB 3.84Å
669	Q	66.4	Low	73.3	Confident	55 Å²	55	36.2 Å²	36.2	26%	0.257	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.3	-179.9	-61.3	-57.3	-53.4	0	0	110	R418 A667 G673 N697	R418-Q669 PolarHBondContact NH1-O 3.47Å; R418-Q669 VanDerWaalsContact NH1-O 3.1Å; R418-Q669 PolarHBondContact NH2-O 2.75Å; A667-Q669 PolarHBondContact O-N 2.85Å; A667-Q669 PolarHBondContact O-NE2 3.13Å; Q669-G673 VanDerWaalsContact OE1-C 3.31Å; Q669-N697 PolarHBondContact O-ND2 2.91Å
670	G	63.9	Low	74.3	Confident	9 Å²	9	34.6 Å²	34.6	9%	0.093	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-165.1	165.2	0	0	0	0	0	111.2	A672 G673	G670-A672 VanDerWaalsContact C-N 3.26Å; G670-A672 PolarHBondContact O-N 3.48Å; G670-G673 PolarHBondContact N-O 3.26Å
671	S	53.2	Low	75.1	Confident	22 Å²	22	36.5 Å²	36.5	15%	0.154	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.5	-179.9	49.3	0	0	0	0	117.2	R400 Y413 C695	R400-S671 PolarHBondContact NH2-O 3.26Å; Y413-S671 WeakPolarHBondContact O-CA 3.36Å; Y413-S671 WeakPolarHBondContact O-CB 3.42Å; S671-C695 PolarHBondContact N-O 2.99Å; S671-C695 PolarHBondContact OG-O 3.15Å
672	A	54.2	Low	76.2	Confident	101 Å²	101	38.2 Å²	38.2	84%	0.835	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.7	28.1	-172.9	0	0	0	0	0	111.7	G670	G670-A672 VanDerWaalsContact C-N 3.26Å; G670-A672 PolarHBondContact O-N 3.48Å
673	G	61.1	Low	77.1	Confident	25 Å²	25	45.1 Å²	45.1	26%	0.258	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	102.2	-158.2	-176.4	0	0	0	0	0	113.5	Q669 G670 R675	Q669-G673 VanDerWaalsContact OE1-C 3.31Å; G670-G673 PolarHBondContact N-O 3.26Å; G673-R675 PolarHBondContact O-N 2.88Å
674	P	70.1	Confident	77.8	Confident	108 Å²	108	45.4 Å²	45.4	70%	0.701	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.7	128.2	-172.3	-26.1	34.3	0	0	0	113.5	L668	L668-P674 CarbonylContact O-C 3.6Å; L668-P674 WeakPolarHBondContact O-CA 3.49Å
675	R	76.9	Confident	78.1	Confident	102 Å²	102	49.8 Å²	49.8	39%	0.385	29%	0.286	S	S	.	.			trans	-154	116.4	-177	-169.9	161.3	179.4	144.3	0.3	111.6	L668 G673 F696 N697	L668-R675 VanDerWaalsContact CB-O 3.27Å; L668-R675 WeakPolarHBondContact CB-O 3.29Å; L668-R675 PolarHBondContact O-N 3.25Å; G673-R675 PolarHBondContact O-N 2.88Å; R675-F696 PolarHBondContact NE-O 2.92Å; R675-F696 VanDerWaalsContact NE-O 3.09Å; R675-F696 VanDerWaalsContact NH1-CD1 3.31Å; R675-N697 PolarHBondContact O-ND2 2.77Å
676	L	86.3	Confident	78.2	Confident	65 Å²	65	51 Å²	51	34%	0.34	29%	0.293	S	S	.	.			trans	-62.3	153.9	-179.6	-59.7	-178.4	0	0	0	113.2	N619 T678	N619-L676 HydrophobicContact CB-CD2 4.4Å; L676-T678 PolarHBondContact O-N 3.28Å; L676-T678 PolarHBondContact O-OG1 3.36Å
677	F	89.6	Confident	78.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.289	C	S	.	.			trans	-56.7	134.1	165.9	-170.4	-89.8	0	0	0	109.5	W616 T620 R621 F635 V654 T655 L668 I679 N697 I699	W616-F677 AromaticContact CE2-CE2 3.89Å; W616-F677 HydrophobicContact CZ2-CD2 4.16Å; W616-F677 AromaticContact CZ2-CE2 3.59Å; W616-F677 HydrophobicContact CZ2-CE2 3.59Å; W616-F677 AromaticContact CZ2-CZ 3.86Å; W616-F677 HydrophobicContact CZ2-CZ 3.86Å; W616-F677 AromaticContact NE1-CD1 3.46Å; W616-F677 AromaticContact NE1-CD2 3.36Å; W616-F677 AromaticContact NE1-CE1 3.67Å; W616-F677 AromaticContact NE1-CE2 3.56Å; W616-F677 AromaticContact NE1-CG 3.3Å; W616-F677 VanDerWaalsContact NE1-CG 3.3Å; W616-F677 AromaticContact NE1-CZ 3.73Å; T620-F677 WeakPolarHBondContact CA-O 3.46Å; T620-F677 HydrophobicContact CG2-CD1 3.84Å; T620-F677 HydrophobicContact CG2-CE1 4.46Å; T620-F677 WeakPolarHBondContact OG1-CD1 3.29Å; R621-F677 PolarHBondContact N-O 3.2Å; F635-F677 HydrophobicContact CE1-CE1 4.25Å; F635-F677 HydrophobicContact CZ-CE1 4.12Å; F635-F677 AromaticContact CZ-CZ 3.97Å; F635-F677 HydrophobicContact CZ-CZ 3.97Å; V654-F677 HydrophobicContact CB-CD2 4.48Å; V654-F677 HydrophobicContact CB-CE2 3.63Å; V654-F677 HydrophobicContact CB-CZ 4.23Å; V654-F677 HydrophobicContact CG1-CD2 3.93Å; V654-F677 HydrophobicContact CG1-CE2 3.35Å; V654-F677 HydrophobicContact CG1-CZ 3.85Å; V654-F677 HydrophobicContact CG2-CE2 4.05Å; V654-F677 HydrophobicContact CG2-CZ 4.18Å; T655-F677 HydrophobicContact CG2-CD2 4.29Å; L668-F677 HydrophobicContact CD1-CB 3.84Å; F677-I679 HydrophobicContact CD1-CG1 4.36Å; F677-I679 HydrophobicContact CE1-CD1 4.43Å; F677-I679 HydrophobicContact CE1-CG1 3.8Å; F677-N697 CarbonylContact C-O 3.59Å; F677-N697 WeakPolarHBondContact CA-O 3.36Å; F677-I699 HydrophobicContact CE1-CG2 4.34Å; F677-I699 HydrophobicContact CZ-CG2 4.21Å
678	T	89.6	Confident	78.5	Confident	12 Å²	12	52.5 Å²	52.5	7%	0.074	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	120.3	-175	-56	0	0	0	0	111.4	R621 K623 L676 N697 R698 I699	R621-T678 HydrophobicContact CB-CG2 4.33Å; R621-T678 HydrophobicContact CG-CG2 4.45Å; R621-T678 CarbonylContact O-C 3.58Å; R621-T678 VanDerWaalsContact O-CA 3.25Å; R621-T678 WeakPolarHBondContact O-CA 3.47Å; K623-T678 HydrophobicContact CB-CG2 4.36Å; L676-T678 PolarHBondContact O-N 3.28Å; L676-T678 PolarHBondContact O-OG1 3.36Å; T678-N697 PolarHBondContact N-O 3.49Å; T678-R698 HydrophobicContact CG2-CG 3.97Å; T678-R698 CarbonylContact O-C 3.5Å; T678-R698 VanDerWaalsContact O-CA 3.28Å; T678-R698 WeakPolarHBondContact O-CA 3.37Å; T678-I699 PolarHBondContact O-N 3.25Å
679	I	93.5	Very high	79.1	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.8	167.1	-58.4	171.5	0	0	0	108.1	T620 R621 L622 K623 F635 W636 F677 I699 I701	T620-I679 HydrophobicContact CG2-CD1 3.85Å; T620-I679 HydrophobicContact CG2-CG1 3.87Å; R621-I679 PolarHBondContact O-N 2.96Å; L622-I679 CarbonylContact C-O 3.51Å; L622-I679 HydrophobicContact CD2-CB 3.92Å; L622-I679 HydrophobicContact CD2-CD1 4.1Å; L622-I679 HydrophobicContact CD2-CG1 4.4Å; K623-I679 PolarHBondContact N-O 3.48Å; F635-I679 HydrophobicContact CD1-CD1 3.49Å; F635-I679 VanDerWaalsContact CD1-CD1 3.49Å; F635-I679 HydrophobicContact CD1-CG1 4.47Å; F635-I679 HydrophobicContact CE1-CD1 3.68Å; F635-I679 HydrophobicContact CE1-CG1 4.34Å; F635-I679 HydrophobicContact CG-CD1 4.12Å; F635-I679 HydrophobicContact CZ-CD1 4.44Å; W636-I679 HydrophobicContact CZ2-CD1 4.23Å; F677-I679 HydrophobicContact CD1-CG1 4.36Å; F677-I679 HydrophobicContact CE1-CD1 4.43Å; F677-I679 HydrophobicContact CE1-CG1 3.8Å; I679-I699 HydrophobicContact CB-CG2 4.48Å; I679-I699 HydrophobicContact CG1-CG2 4.13Å; I679-I701 HydrophobicContact CG2-CD1 3.79Å; I679-I701 HydrophobicContact CG2-CG1 4.38Å
680	H	91.9	Very high	80	Confident	18 Å²	18	52.7 Å²	52.7	8%	0.083	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	112.1	-176.3	179.1	-143	0	0	0	109.1	K623 H624 I682 R698 I699 D700 I701	K623-H680 HydrophobicContact CB-CB 4.38Å; K623-H680 PolarHBondContact NZ-NE2 3.29Å; K623-H680 WeakPolarHBondContact O-CA 3.4Å; H624-H680 AromaticContact CD2-CD2 3.65Å; H624-H680 AromaticContact CD2-NE2 3.44Å; H624-H680 PolarHBondContact CD2-NE2 2.89Å; H680-I682 VanDerWaalsContact CE1-CG2 3.48Å; H680-I682 WeakPolarHBondContact CE1-CG2 3.49Å; H680-I682 PolarHBondContact O-N 2.97Å; H680-R698 HydrophobicContact CB-CG 3.9Å; H680-R698 PolarHBondContact ND1-NE 2.74Å; H680-I699 WeakPolarHBondContact CB-O 3.48Å; H680-I699 PolarHBondContact N-O 3.21Å; H680-D700 WeakPolarHBondContact CB-OD1 3.34Å; H680-D700 IonicContact CE1-OD1 2.65Å; H680-D700 IonicContact CE1-OD2 3.31Å; H680-D700 IonicContact CG-OD1 3.55Å; H680-D700 IonicContact ND1-OD1 2.7Å; H680-D700 PolarHBondContact ND1-OD1 2.84Å; H680-D700 IonicContact ND1-OD2 2.66Å; H680-D700 PolarHBondContact ND1-OD2 3.12Å; H680-D700 CarbonylContact O-C 3.54Å; H680-D700 WeakPolarHBondContact O-CA 3.27Å; H680-I701 PolarHBondContact O-N 3.03Å
681	L	89.6	Confident	80.9	Confident	44 Å²	44	57.5 Å²	57.5	23%	0.23	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	122.6	171.1	-171.1	72.5	0	0	0	108	K623 H624 C625 V631 P703	K623-L681 PolarHBondContact O-N 3.37Å; H624-L681 HydrophobicContact CB-CB 4.42Å; H624-L681 WeakPolarHBondContact O-CD2 3.2Å; C625-L681 HydrophobicContact CB-CB 4Å; V631-L681 HydrophobicContact CB-CD1 4.22Å; V631-L681 HydrophobicContact CG1-CD1 4.07Å; V631-L681 HydrophobicContact CG2-CD1 3.96Å; L681-P703 HydrophobicContact CD1-CB 4.28Å
682	I	89.6	Confident	82.1	Confident	39 Å²	39	57.6 Å²	57.6	20%	0.2	33%	0.325	C	S	.	.			trans	-108.7	142.2	176.1	54.5	162.3	0	0	0	110.2	H680 A684 D700 I701 P703	H680-I682 VanDerWaalsContact CE1-CG2 3.48Å; H680-I682 WeakPolarHBondContact CE1-CG2 3.49Å; H680-I682 PolarHBondContact O-N 2.97Å; I682-A684 HydrophobicContact CD1-CB 3.73Å; I682-A684 HydrophobicContact CG1-CB 4.07Å; I682-A684 PolarHBondContact O-N 2.92Å; I682-D700 HydrophobicContact CD1-CB 3.99Å; I682-D700 HydrophobicContact CG1-CB 4.22Å; I682-D700 HydrophobicContact CG2-CB 3.82Å; I682-I701 PolarHBondContact N-O 2.86Å; I682-I701 VanDerWaalsContact N-O 3.07Å; I682-P703 WeakPolarHBondContact O-CD 3.44Å
683	D	83.6	Confident	83.2	Confident	171 Å²	171	57.3 Å²	57.3	91%	0.914	31%	0.306	S	S	*	.			trans	-79.9	97.8	169.9	-168.3	10.4	0	0	0	108.4
684	A	81.9	Confident	83.5	Confident	27 Å²	27	56.6 Å²	56.6	22%	0.223	30%	0.297	C	S	.	.			trans	-153	159.5	-174.3	0	0	0	0	0	110.2	I682 T686 P703	I682-A684 HydrophobicContact CD1-CB 3.73Å; I682-A684 HydrophobicContact CG1-CB 4.07Å; I682-A684 PolarHBondContact O-N 2.92Å; A684-T686 PolarHBondContact O-N 3.4Å; A684-P703 VanDerWaalsContact O-CD 3.25Å; A684-P703 WeakPolarHBondContact O-CD 3.49Å
685	N	82.4	Confident	83.2	Confident	101 Å²	101	52.2 Å²	52.2	54%	0.54	27%	0.268	S	S	.	.			trans	-56.5	133.4	179.5	-172.4	-10	0	0	0	111.4	E687 N688	N685-E687 PolarHBondContact O-N 3.13Å; N685-E687 VanDerWaalsContact O-N 3.14Å; N685-E687 PolarHBondContact OD1-N 2.87Å; N685-E687 VanDerWaalsContact OD1-N 3.13Å; N685-N688 WeakPolarHBondContact O-CB 3.21Å; N685-N688 PolarHBondContact O-N 2.84Å
686	T	84.6	Confident	83	Confident	25 Å²	25	50.4 Å²	50.4	15%	0.153	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-5.6	-180	69.9	0	0	0	0	113.3	A684 P703 Y704 E705 K709	A684-T686 PolarHBondContact O-N 3.4Å; T686-P703 HydrophobicContact CG2-CG 4.33Å; T686-P703 VanDerWaalsContact CG2-O 3.25Å; T686-P703 WeakPolarHBondContact CG2-O 3.25Å; T686-Y704 WeakPolarHBondContact O-CD1 3.21Å; T686-Y704 WeakPolarHBondContact O-CE1 3.4Å; T686-E705 WeakPolarHBondContact CB-OE1 3.45Å; T686-E705 PolarHBondContact OG1-OE1 2.77Å; T686-K709 VanDerWaalsContact O-CE 3.22Å; T686-K709 WeakPolarHBondContact O-CE 3.36Å; T686-K709 PolarHBondContact OG1-NZ 2.74Å
687	E	83.8	Confident	82.6	Confident	97 Å²	97	47.3 Å²	47.3	45%	0.453	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-20.2	167.5	-70.5	-47.9	134.3	0	0	114.9	N685 K709 K713	N685-E687 PolarHBondContact O-N 3.13Å; N685-E687 VanDerWaalsContact O-N 3.14Å; N685-E687 PolarHBondContact OD1-N 2.87Å; N685-E687 VanDerWaalsContact OD1-N 3.13Å; E687-K709 WeakPolarHBondContact OE1-CE 3.36Å; E687-K709 IonicContact OE1-NZ 2.78Å; E687-K709 PolarHBondContact OE1-NZ 2.69Å; E687-K713 PolarHBondContact O-NZ 2.91Å; E687-K713 IonicContact OE2-NZ 3.94Å; E687-K713 PolarHBondContact OE2-NZ 3.03Å
688	N	83.3	Confident	82.4	Confident	73 Å²	73	49.7 Å²	49.7	39%	0.39	26%	0.256	S	S	.	.	S	Bend	trans	-67.6	147.3	-179.3	-65.3	-6.7	0	0	0	110.9	N685 P702 Y704	N685-N688 WeakPolarHBondContact O-CB 3.21Å; N685-N688 PolarHBondContact O-N 2.84Å; N688-P702 HydrophobicContact CB-CG 4.25Å; N688-Y704 PolarHBondContact O-OH 2.8Å
689	L	84.9	Confident	82.3	Confident	62 Å²	62	49.1 Å²	49.1	33%	0.325	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-70.9	153.7	167.7	-67.4	173	0	0	0	110.7	K713 T716 A717	L689-K713 HydrophobicContact CD2-CB 4.14Å; L689-K713 HydrophobicContact CD2-CD 3.88Å; L689-K713 WeakPolarHBondContact CD2-O 3.13Å; L689-T716 HydrophobicContact CD1-CG2 4.46Å; L689-T716 HydrophobicContact CD2-CG2 3.9Å; L689-A717 HydrophobicContact CB-CB 4.44Å
690	P	86.3	Confident	82.1	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.032	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-58.8	144.6	168.6	-19.3	33.2	0	0	0	110	F653 I699 D700 Y704 K713 L714	F653-P690 WeakPolarHBondContact CZ-O 3.29Å; P690-I699 HydrophobicContact CB-CD1 4.09Å; P690-I699 HydrophobicContact CB-CG1 4.26Å; P690-D700 CarbonylContact C-O 3.53Å; P690-D700 WeakPolarHBondContact CA-O 3.4Å; P690-Y704 WeakPolarHBondContact CD-OH 3.43Å; P690-Y704 HydrophobicContact CG-CE2 4.23Å; P690-Y704 WeakPolarHBondContact CG-OH 3.34Å; P690-K713 WeakPolarHBondContact CD-O 3.37Å; P690-L714 HydrophobicContact CG-CD1 4.26Å
691	K	82.1	Confident	82	Confident	109 Å²	109	49 Å²	49	47%	0.474	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.3	179.8	-63.2	-162.2	175.2	-160.2	0	111.1	D700	K691-D700 PolarHBondContact N-O 2.93Å; K691-D700 PolarHBondContact O-N 3.12Å
692	A	79.9	Confident	82.1	Confident	24 Å²	24	46.9 Å²	46.9	20%	0.198	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	143.7	-178.9	0	0	0	0	0	112.8	F653	F653-A692 HydrophobicContact CD1-CB 4.01Å; F653-A692 HydrophobicContact CD2-CB 3.98Å; F653-A692 HydrophobicContact CE1-CB 3.8Å; F653-A692 HydrophobicContact CE2-CB 3.75Å; F653-A692 HydrophobicContact CG-CB 4.11Å; F653-A692 HydrophobicContact CZ-CB 3.66Å; F653-A692 WeakPolarHBondContact O-CB 3.46Å
693	H	75.8	Confident	82.1	Confident	96 Å²	96	47.4 Å²	47.4	44%	0.444	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	83.9	171.5	-60.2	-85.5	0	0	0	109.3	C695 F696 N697 R698 D700	H693-C695 VanDerWaalsContact C-N 3.27Å; H693-C695 PolarHBondContact O-N 3.34Å; H693-F696 HydrophobicContact CB-CB 4.34Å; H693-F696 HydrophobicContact CB-CD2 4.01Å; H693-F696 CarbonylContact O-C 3.58Å; H693-F696 WeakPolarHBondContact O-CA 3.31Å; H693-F696 PolarHBondContact O-N 3.27Å; H693-N697 PolarHBondContact O-N 3.17Å; H693-N697 VanDerWaalsContact O-N 3.1Å; H693-R698 HydrophobicContact CB-CB 4.39Å; H693-R698 PolarHBondContact CD2-NH2 2.97Å; H693-R698 PolarHBondContact N-O 2.75Å; H693-R698 PolarHBondContact O-N 2.76Å; H693-D700 IonicContact CD2-OD1 3.34Å; H693-D700 IonicContact CD2-OD2 3.79Å
694	T	67.9	Low	82.5	Confident	10 Å²	10	39.6 Å²	39.6	6%	0.061	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-57.1	-35.4	-174.8	52.4	0	0	0	0	114.1	F653 V654 F696 N697 F724	F653-T694 VanDerWaalsContact O-CG2 3.28Å; F653-T694 WeakPolarHBondContact O-CG2 3.41Å; V654-T694 WeakPolarHBondContact O-CA 3.29Å; T694-F696 PolarHBondContact O-N 2.85Å; T694-F696 VanDerWaalsContact O-N 3.1Å; T694-N697 PolarHBondContact O-N 3.31Å; T694-N697 PolarHBondContact O-OD1 3.15Å; T694-F724 HydrophobicContact CG2-CD1 4.47Å; T694-F724 HydrophobicContact CG2-CE1 3.42Å; T694-F724 VanDerWaalsContact CG2-CE1 3.42Å; T694-F724 HydrophobicContact CG2-CZ 3.62Å
695	C	63.8	Low	82.9	Confident	16 Å²	16	44.7 Å²	44.7	11%	0.108	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-60	-22	174.2	-62.8	0	0	0	0	113.3	S671 H693	S671-C695 PolarHBondContact N-O 2.99Å; S671-C695 PolarHBondContact OG-O 3.15Å; H693-C695 VanDerWaalsContact C-N 3.27Å; H693-C695 PolarHBondContact O-N 3.34Å
696	F	72.3	Confident	83.3	Confident	64 Å²	64	41.6 Å²	41.6	28%	0.281	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-116.8	1.1	-176	-59.8	-40.7	0	0	0	114.2	R675 H693 T694 R698	R675-F696 PolarHBondContact NE-O 2.92Å; R675-F696 VanDerWaalsContact NE-O 3.09Å; R675-F696 VanDerWaalsContact NH1-CD1 3.31Å; H693-F696 HydrophobicContact CB-CB 4.34Å; H693-F696 HydrophobicContact CB-CD2 4.01Å; H693-F696 CarbonylContact O-C 3.58Å; H693-F696 WeakPolarHBondContact O-CA 3.31Å; H693-F696 PolarHBondContact O-N 3.27Å; T694-F696 PolarHBondContact O-N 2.85Å; T694-F696 VanDerWaalsContact O-N 3.1Å; F696-R698 HydrophobicContact CB-CB 4.18Å; F696-R698 PolarHBondContact O-N 3.15Å
697	N	78.4	Confident	83.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	40	-171.4	-58.1	-31.3	0	0	0	112.3	V654 T655 Q669 R675 F677 T678 H693 T694	V654-N697 WeakPolarHBondContact O-CA 3.28Å; T655-N697 WeakPolarHBondContact CB-OD1 3.14Å; T655-N697 HydrophobicContact CG2-CB 4.11Å; Q669-N697 PolarHBondContact O-ND2 2.91Å; R675-N697 PolarHBondContact O-ND2 2.77Å; F677-N697 CarbonylContact C-O 3.59Å; F677-N697 WeakPolarHBondContact CA-O 3.36Å; T678-N697 PolarHBondContact N-O 3.49Å; H693-N697 PolarHBondContact O-N 3.17Å; H693-N697 VanDerWaalsContact O-N 3.1Å; T694-N697 PolarHBondContact O-N 3.31Å; T694-N697 PolarHBondContact O-OD1 3.15Å
698	R	85.3	Confident	84.1	Confident	50 Å²	50	43.6 Å²	43.6	19%	0.189	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.2	-171.5	-171.1	-178.1	88.6	-154.6	8.4	111.6	T678 H680 H693 F696 D700	T678-R698 HydrophobicContact CG2-CG 3.97Å; T678-R698 CarbonylContact O-C 3.5Å; T678-R698 VanDerWaalsContact O-CA 3.28Å; T678-R698 WeakPolarHBondContact O-CA 3.37Å; H680-R698 HydrophobicContact CB-CG 3.9Å; H680-R698 PolarHBondContact ND1-NE 2.74Å; H693-R698 HydrophobicContact CB-CB 4.39Å; H693-R698 PolarHBondContact CD2-NH2 2.97Å; H693-R698 PolarHBondContact N-O 2.75Å; H693-R698 PolarHBondContact O-N 2.76Å; F696-R698 HydrophobicContact CB-CB 4.18Å; F696-R698 PolarHBondContact O-N 3.15Å; R698-D700 IonicContact CZ-OD1 3.1Å; R698-D700 IonicContact CZ-OD2 3.34Å; R698-D700 IonicContact NE-OD1 2.65Å; R698-D700 PolarHBondContact NE-OD1 2.89Å; R698-D700 IonicContact NE-OD2 3.8Å; R698-D700 IonicContact NH2-OD1 3.4Å; R698-D700 PolarHBondContact NH2-OD1 3.31Å; R698-D700 IonicContact NH2-OD2 2.67Å; R698-D700 PolarHBondContact NH2-OD2 3.19Å
699	I	87.8	Confident	84.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.4	167.5	-169.7	174.4	0	0	0	109.8	F635 L650 F653 V654 F677 T678 I679 H680 P690 I701 L714	F635-I699 HydrophobicContact CE2-CD1 4.22Å; L650-I699 HydrophobicContact CD1-CD1 4.45Å; F653-I699 HydrophobicContact CD1-CD1 4.35Å; F653-I699 HydrophobicContact CE1-CD1 3.94Å; F653-I699 HydrophobicContact CE1-CG1 4.28Å; V654-I699 HydrophobicContact CG1-CB 3.99Å; V654-I699 HydrophobicContact CG2-CB 3.77Å; V654-I699 HydrophobicContact CG2-CD1 3.94Å; V654-I699 HydrophobicContact CG2-CG1 4.18Å; V654-I699 HydrophobicContact CG2-CG2 4.45Å; F677-I699 HydrophobicContact CE1-CG2 4.34Å; F677-I699 HydrophobicContact CZ-CG2 4.21Å; T678-I699 PolarHBondContact O-N 3.25Å; I679-I699 HydrophobicContact CB-CG2 4.48Å; I679-I699 HydrophobicContact CG1-CG2 4.13Å; H680-I699 WeakPolarHBondContact CB-O 3.48Å; H680-I699 PolarHBondContact N-O 3.21Å; P690-I699 HydrophobicContact CB-CD1 4.09Å; P690-I699 HydrophobicContact CB-CG1 4.26Å; I699-I701 HydrophobicContact CD1-CD1 4.32Å; I699-I701 HydrophobicContact CD1-CG1 4.19Å; I699-I701 HydrophobicContact CG1-CD1 4.49Å; I699-I701 HydrophobicContact CG1-CG1 3.96Å; I699-I701 HydrophobicContact CG2-CD1 4.13Å; I699-I701 HydrophobicContact CG2-CG1 4.18Å; I699-L714 HydrophobicContact CD1-CD1 3.9Å
700	D	89.1	Confident	84.8	Confident	13 Å²	13	39 Å²	39	7%	0.07	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.7	175.7	-71	8.1	0	0	0	107.9	H680 I682 P690 K691 H693 R698	H680-D700 WeakPolarHBondContact CB-OD1 3.34Å; H680-D700 IonicContact CE1-OD1 2.65Å; H680-D700 IonicContact CE1-OD2 3.31Å; H680-D700 IonicContact CG-OD1 3.55Å; H680-D700 IonicContact ND1-OD1 2.7Å; H680-D700 PolarHBondContact ND1-OD1 2.84Å; H680-D700 IonicContact ND1-OD2 2.66Å; H680-D700 PolarHBondContact ND1-OD2 3.12Å; H680-D700 CarbonylContact O-C 3.54Å; H680-D700 WeakPolarHBondContact O-CA 3.27Å; I682-D700 HydrophobicContact CD1-CB 3.99Å; I682-D700 HydrophobicContact CG1-CB 4.22Å; I682-D700 HydrophobicContact CG2-CB 3.82Å; P690-D700 CarbonylContact C-O 3.53Å; P690-D700 WeakPolarHBondContact CA-O 3.4Å; K691-D700 PolarHBondContact N-O 2.93Å; K691-D700 PolarHBondContact O-N 3.12Å; H693-D700 IonicContact CD2-OD1 3.34Å; H693-D700 IonicContact CD2-OD2 3.79Å; R698-D700 IonicContact CZ-OD1 3.1Å; R698-D700 IonicContact CZ-OD2 3.34Å; R698-D700 IonicContact NE-OD1 2.65Å; R698-D700 PolarHBondContact NE-OD1 2.89Å; R698-D700 IonicContact NE-OD2 3.8Å; R698-D700 IonicContact NH2-OD1 3.4Å; R698-D700 PolarHBondContact NH2-OD1 3.31Å; R698-D700 IonicContact NH2-OD2 2.67Å; R698-D700 PolarHBondContact NH2-OD2 3.19Å
701	I	90.4	Very high	84.9	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.2	-174.5	-48.3	-174.7	0	0	0	108.8	V631 F635 I679 H680 I682 I699 Y704	V631-I701 HydrophobicContact CG1-CB 4.2Å; V631-I701 HydrophobicContact CG1-CG2 3.7Å; F635-I701 HydrophobicContact CD2-CD1 3.66Å; F635-I701 HydrophobicContact CE2-CD1 4.18Å; F635-I701 HydrophobicContact CG-CD1 4.3Å; I679-I701 HydrophobicContact CG2-CD1 3.79Å; I679-I701 HydrophobicContact CG2-CG1 4.38Å; H680-I701 PolarHBondContact O-N 3.03Å; I682-I701 PolarHBondContact N-O 2.86Å; I682-I701 VanDerWaalsContact N-O 3.07Å; I699-I701 HydrophobicContact CD1-CD1 4.32Å; I699-I701 HydrophobicContact CD1-CG1 4.19Å; I699-I701 HydrophobicContact CG1-CD1 4.49Å; I699-I701 HydrophobicContact CG1-CG1 3.96Å; I699-I701 HydrophobicContact CG2-CD1 4.13Å; I699-I701 HydrophobicContact CG2-CG1 4.18Å; I701-Y704 HydrophobicContact CG2-CD2 3.96Å; I701-Y704 HydrophobicContact CG2-CE2 3.69Å
702	P	91.1	Very high	85.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.			trans	-60.8	161.6	169	-24.8	35	0	0	0	113.2	N688 Y704	N688-P702 HydrophobicContact CB-CG 4.25Å; P702-Y704 HydrophobicContact CB-CD1 4.48Å; P702-Y704 HydrophobicContact CB-CE1 4.05Å; P702-Y704 HydrophobicContact CB-CE2 4.39Å; P702-Y704 WeakPolarHBondContact CD-OH 3.26Å; P702-Y704 HydrophobicContact CG-CE1 4.25Å; P702-Y704 HydrophobicContact CG-CE2 4.42Å; P702-Y704 PolarHBondContact O-N 3.4Å
703	P	90.3	Very high	85.6	Confident	50 Å²	50	43.1 Å²	43.1	33%	0.325	20%	0.204	S	C	.	.			trans	-82	66.3	-179.6	35.3	-31.3	0	0	0	110.4	L681 I682 A684 T686	L681-P703 HydrophobicContact CD1-CB 4.28Å; I682-P703 WeakPolarHBondContact O-CD 3.44Å; A684-P703 VanDerWaalsContact O-CD 3.25Å; A684-P703 WeakPolarHBondContact O-CD 3.49Å; T686-P703 HydrophobicContact CG2-CG 4.33Å; T686-P703 VanDerWaalsContact CG2-O 3.25Å; T686-P703 WeakPolarHBondContact CG2-O 3.25Å
704	Y	91.2	Very high	86	Confident	7 Å²	7	38.7 Å²	38.7	3%	0.027	18%	0.184	C	C	.	.			trans	-54.8	147.2	-179.2	-61.7	-62.4	0	0	0	112.4	W634 T686 N688 P690 I701 P702 K709 L710 K713	W634-Y704 WeakPolarHBondContact CZ3-O 3.43Å; T686-Y704 WeakPolarHBondContact O-CD1 3.21Å; T686-Y704 WeakPolarHBondContact O-CE1 3.4Å; N688-Y704 PolarHBondContact O-OH 2.8Å; P690-Y704 WeakPolarHBondContact CD-OH 3.43Å; P690-Y704 HydrophobicContact CG-CE2 4.23Å; P690-Y704 WeakPolarHBondContact CG-OH 3.34Å; I701-Y704 HydrophobicContact CG2-CD2 3.96Å; I701-Y704 HydrophobicContact CG2-CE2 3.69Å; P702-Y704 HydrophobicContact CB-CD1 4.48Å; P702-Y704 HydrophobicContact CB-CE1 4.05Å; P702-Y704 HydrophobicContact CB-CE2 4.39Å; P702-Y704 WeakPolarHBondContact CD-OH 3.26Å; P702-Y704 HydrophobicContact CG-CE1 4.25Å; P702-Y704 HydrophobicContact CG-CE2 4.42Å; P702-Y704 PolarHBondContact O-N 3.4Å; Y704-K709 HydrophobicContact CD1-CD 4.35Å; Y704-K709 HydrophobicContact CD1-CG 4.19Å; Y704-L710 HydrophobicContact CD2-CB 3.77Å; Y704-L710 HydrophobicContact CD2-CD1 4.04Å; Y704-L710 HydrophobicContact CD2-CG 3.82Å; Y704-L710 HydrophobicContact CE2-CG 4.38Å; Y704-L710 HydrophobicContact CG-CB 4.2Å; Y704-K713 HydrophobicContact CE1-CB 4.12Å; Y704-K713 HydrophobicContact CE1-CG 3.96Å
705	E	89.4	Confident	86.7	Confident	134 Å²	134	39.5 Å²	39.5	63%	0.626	19%	0.188	S	C	*	.	S	Bend	trans	-82.3	-24.2	-174.1	-66.5	143.3	-116	0	0	113.6	T686 K709	T686-E705 WeakPolarHBondContact CB-OE1 3.45Å; T686-E705 PolarHBondContact OG1-OE1 2.77Å; E705-K709 IonicContact OE1-NZ 3.46Å; E705-K709 PolarHBondContact OE1-NZ 2.88Å
706	S	92.6	Very high	87.4	Confident	37 Å²	37	40.6 Å²	40.6	26%	0.259	19%	0.194	S	C	.	.	S	Bend	trans	-142.7	163.5	-178.6	95.1	0	0	0	0	113.1	E708 K709 L710	S706-E708 VanDerWaalsContact C-N 3.33Å; S706-E708 WeakPolarHBondContact CB-OE2 3.43Å; S706-E708 PolarHBondContact OG-N 2.95Å; S706-E708 PolarHBondContact OG-OE2 2.66Å; S706-K709 PolarHBondContact OG-N 3.04Å; S706-L710 PolarHBondContact O-N 2.99Å
707	Y	92.4	Very high	87.7	Confident	43 Å²	43	37.8 Å²	37.8	17%	0.169	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-41.8	174.2	171.6	-104.1	0	0	0	111.8	W634 Q637 A638 L710 Y711	W634-Y707 HydrophobicContact CB-CD2 3.8Å; W634-Y707 AromaticContact CD1-CD2 3.78Å; W634-Y707 AromaticContact CG-CD2 3.91Å; W634-Y707 HydrophobicContact CG-CD2 3.91Å; W634-Y707 HydrophobicContact CG-CG 4.48Å; Q637-Y707 HydrophobicContact CB-CE2 3.86Å; Q637-Y707 VanDerWaalsContact CD-CE2 3.47Å; Q637-Y707 HydrophobicContact CG-CD2 4.35Å; Q637-Y707 HydrophobicContact CG-CE2 3.61Å; A638-Y707 HydrophobicContact CB-CE2 4.36Å; Y707-L710 PolarHBondContact O-N 3Å; Y707-Y711 HydrophobicContact CE1-CD2 4.45Å; Y707-Y711 AromaticContact CZ-CD2 3.9Å; Y707-Y711 VanDerWaalsContact O-CB 3.28Å; Y707-Y711 WeakPolarHBondContact O-CB 3.5Å; Y707-Y711 PolarHBondContact O-N 3.31Å; Y707-Y711 WeakPolarHBondContact OH-CD2 3.36Å
708	E	92.5	Very high	87.4	Confident	120 Å²	120	38 Å²	38	56%	0.561	18%	0.184	S	C	*	.	H	α-helix	trans	-64.3	-46.6	-177.4	-57.3	67.7	-145.5	0	0	110.6	S706 L710 Y711 E712	S706-E708 VanDerWaalsContact C-N 3.33Å; S706-E708 WeakPolarHBondContact CB-OE2 3.43Å; S706-E708 PolarHBondContact OG-N 2.95Å; S706-E708 PolarHBondContact OG-OE2 2.66Å; E708-L710 VanDerWaalsContact C-N 3.33Å; E708-L710 PolarHBondContact O-N 2.7Å; E708-Y711 PolarHBondContact O-N 3.16Å; E708-E712 WeakPolarHBondContact O-CB 2.94Å; E708-E712 PolarHBondContact O-N 3.17Å
709	K	89.8	Confident	86.5	Confident	38 Å²	38	39.9 Å²	39.9	17%	0.165	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-40.1	177.5	-164.1	176.8	-168.5	-179.6	0	111.4	T686 E687 Y704 E705 S706 K713	T686-K709 VanDerWaalsContact O-CE 3.22Å; T686-K709 WeakPolarHBondContact O-CE 3.36Å; T686-K709 PolarHBondContact OG1-NZ 2.74Å; E687-K709 WeakPolarHBondContact OE1-CE 3.36Å; E687-K709 IonicContact OE1-NZ 2.78Å; E687-K709 PolarHBondContact OE1-NZ 2.69Å; Y704-K709 HydrophobicContact CD1-CD 4.35Å; Y704-K709 HydrophobicContact CD1-CG 4.19Å; E705-K709 IonicContact OE1-NZ 3.46Å; E705-K709 PolarHBondContact OE1-NZ 2.88Å; S706-K709 PolarHBondContact OG-N 3.04Å; K709-K713 HydrophobicContact CG-CG 4.47Å; K709-K713 WeakPolarHBondContact O-CB 3.3Å; K709-K713 WeakPolarHBondContact O-CG 3.35Å; K709-K713 PolarHBondContact O-N 3.15Å
710	L	91.5	Very high	85.1	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-46.9	173.7	-175.8	153.7	0	0	0	111.4	V631 W634 Y704 S706 Y707 E708 L714	V631-L710 HydrophobicContact CB-CD1 4.46Å; V631-L710 HydrophobicContact CG1-CD1 3.92Å; W634-L710 HydrophobicContact CB-CD1 3.89Å; W634-L710 HydrophobicContact CB-CD2 4.35Å; W634-L710 HydrophobicContact CE3-CD1 4.3Å; Y704-L710 HydrophobicContact CD2-CB 3.77Å; Y704-L710 HydrophobicContact CD2-CD1 4.04Å; Y704-L710 HydrophobicContact CD2-CG 3.82Å; Y704-L710 HydrophobicContact CE2-CG 4.38Å; Y704-L710 HydrophobicContact CG-CB 4.2Å; S706-L710 PolarHBondContact O-N 2.99Å; Y707-L710 PolarHBondContact O-N 3Å; E708-L710 VanDerWaalsContact C-N 3.33Å; E708-L710 PolarHBondContact O-N 2.7Å; L710-L714 HydrophobicContact CD2-CD2 4.27Å; L710-L714 WeakPolarHBondContact O-CB 3.26Å; L710-L714 PolarHBondContact O-N 2.92Å
711	Y	89.9	Confident	83.3	Confident	60 Å²	60	47.1 Å²	47.1	24%	0.235	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-45.9	-178.1	-176.3	-85.2	0	0	0	111.4	A638 A641 F642 Y707 E708 L715	A638-Y711 HydrophobicContact CB-CD2 3.67Å; A638-Y711 HydrophobicContact CB-CE2 4.23Å; A641-Y711 HydrophobicContact CB-CE2 4.49Å; F642-Y711 HydrophobicContact CD1-CE2 4.09Å; F642-Y711 HydrophobicContact CE1-CD2 4.29Å; F642-Y711 AromaticContact CE1-CE2 3.59Å; F642-Y711 HydrophobicContact CE1-CE2 3.59Å; F642-Y711 AromaticContact CE1-CZ 3.85Å; Y707-Y711 HydrophobicContact CE1-CD2 4.45Å; Y707-Y711 AromaticContact CZ-CD2 3.9Å; Y707-Y711 VanDerWaalsContact O-CB 3.28Å; Y707-Y711 WeakPolarHBondContact O-CB 3.5Å; Y707-Y711 PolarHBondContact O-N 3.31Å; Y707-Y711 WeakPolarHBondContact OH-CD2 3.36Å; E708-Y711 PolarHBondContact O-N 3.16Å; Y711-L715 HydrophobicContact CE1-CD2 4.19Å; Y711-L715 WeakPolarHBondContact O-CB 3.15Å; Y711-L715 PolarHBondContact O-N 3.39Å
712	E	87.4	Confident	81.1	Confident	126 Å²	126	52.6 Å²	52.6	59%	0.589	27%	0.269	S	S	*	.	H	α-helix	trans	-61.6	-58	176	-174.4	-179.8	-174.4	0	0	110.9	E708 L714 L715 T716	E708-E712 WeakPolarHBondContact O-CB 2.94Å; E708-E712 PolarHBondContact O-N 3.17Å; E712-L714 VanDerWaalsContact C-N 3.28Å; E712-L714 PolarHBondContact O-N 3.32Å; E712-L715 PolarHBondContact O-N 3.18Å; E712-T716 WeakPolarHBondContact O-CB 3.33Å; E712-T716 PolarHBondContact O-N 3.32Å; E712-T716 PolarHBondContact O-OG1 2.63Å
713	K	87.9	Confident	78.7	Confident	39 Å²	39	52.9 Å²	52.9	17%	0.17	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-33.2	-177.7	-62.2	-82.3	-175.7	169.4	0	112.4	E687 L689 P690 Y704 K709 A717	E687-K713 PolarHBondContact O-NZ 2.91Å; E687-K713 IonicContact OE2-NZ 3.94Å; E687-K713 PolarHBondContact OE2-NZ 3.03Å; L689-K713 HydrophobicContact CD2-CB 4.14Å; L689-K713 HydrophobicContact CD2-CD 3.88Å; L689-K713 WeakPolarHBondContact CD2-O 3.13Å; P690-K713 WeakPolarHBondContact CD-O 3.37Å; Y704-K713 HydrophobicContact CE1-CB 4.12Å; Y704-K713 HydrophobicContact CE1-CG 3.96Å; K709-K713 HydrophobicContact CG-CG 4.47Å; K709-K713 WeakPolarHBondContact O-CB 3.3Å; K709-K713 WeakPolarHBondContact O-CG 3.35Å; K709-K713 PolarHBondContact O-N 3.15Å; K713-A717 WeakPolarHBondContact O-CB 3.18Å; K713-A717 PolarHBondContact O-N 3.14Å
714	L	85.4	Confident	76.5	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-70.4	-41.7	173.7	-176	65.9	0	0	0	111.9	F635 A638 F642 L650 P690 I699 L710 E712 V718	F635-L714 HydrophobicContact CD2-CD2 3.94Å; F635-L714 HydrophobicContact CE2-CD1 4.31Å; F635-L714 HydrophobicContact CE2-CD2 4.09Å; A638-L714 HydrophobicContact CB-CD2 4.23Å; F642-L714 HydrophobicContact CE2-CD2 4.4Å; F642-L714 HydrophobicContact CZ-CD2 4.32Å; L650-L714 HydrophobicContact CD1-CD1 3.9Å; P690-L714 HydrophobicContact CG-CD1 4.26Å; I699-L714 HydrophobicContact CD1-CD1 3.9Å; L710-L714 HydrophobicContact CD2-CD2 4.27Å; L710-L714 WeakPolarHBondContact O-CB 3.26Å; L710-L714 PolarHBondContact O-N 2.92Å; E712-L714 VanDerWaalsContact C-N 3.28Å; E712-L714 PolarHBondContact O-N 3.32Å; L714-V718 WeakPolarHBondContact O-CB 3.45Å; L714-V718 VanDerWaalsContact O-CG2 3.23Å; L714-V718 WeakPolarHBondContact O-CG2 3.44Å; L714-V718 PolarHBondContact O-N 3.28Å; L714-V718 VanDerWaalsContact O-N 3.07Å
715	L	81.4	Confident	73.7	Confident	28 Å²	28	56.9 Å²	56.9	15%	0.147	30%	0.296	C	S	.	.	H	α-helix	trans	-65.7	-47	177.1	-175.2	65.8	0	0	0	111	F642 Y711 E712 A717 V718 E719	F642-L715 HydrophobicContact CE1-CD1 4.24Å; F642-L715 HydrophobicContact CZ-CD1 4.31Å; Y711-L715 HydrophobicContact CE1-CD2 4.19Å; Y711-L715 WeakPolarHBondContact O-CB 3.15Å; Y711-L715 PolarHBondContact O-N 3.39Å; E712-L715 PolarHBondContact O-N 3.18Å; L715-A717 PolarHBondContact O-N 3.06Å; L715-V718 PolarHBondContact O-N 3Å; L715-V718 VanDerWaalsContact O-N 3.15Å; L715-E719 HydrophobicContact CD1-CG 4.1Å; L715-E719 WeakPolarHBondContact CD1-OE1 3.12Å; L715-E719 HydrophobicContact CG-CG 4.4Å; L715-E719 WeakPolarHBondContact O-CB 3.31Å; L715-E719 WeakPolarHBondContact O-CG 3.47Å; L715-E719 PolarHBondContact O-N 2.93Å
716	T	79.6	Confident	70.9	Confident	39 Å²	39	55.5 Å²	55.5	24%	0.239	30%	0.297	C	S	.	.	H	α-helix	trans	-54.1	-52	173.5	-59.7	0	0	0	0	110.8	L689 E712 V718 E719 E720	L689-T716 HydrophobicContact CD1-CG2 4.46Å; L689-T716 HydrophobicContact CD2-CG2 3.9Å; E712-T716 WeakPolarHBondContact O-CB 3.33Å; E712-T716 PolarHBondContact O-N 3.32Å; E712-T716 PolarHBondContact O-OG1 2.63Å; T716-V718 VanDerWaalsContact C-N 3.27Å; T716-V718 PolarHBondContact O-N 3.31Å; T716-E719 PolarHBondContact O-N 2.82Å; T716-E720 HydrophobicContact CG2-CG 4.04Å; T716-E720 VanDerWaalsContact CG2-OE2 3.29Å; T716-E720 WeakPolarHBondContact CG2-OE2 3.12Å; T716-E720 VanDerWaalsContact O-CB 3.27Å; T716-E720 WeakPolarHBondContact O-CB 3.04Å; T716-E720 WeakPolarHBondContact O-CG 3.36Å; T716-E720 PolarHBondContact O-N 3.42Å
717	A	78.3	Confident	67.9	Low	4 Å²	4	65.4 Å²	65.4	3%	0.033	34%	0.339	C	S	.	.	H	α-helix	trans	-60.2	-34.8	178.5	0	0	0	0	0	113.5	F653 L689 K713 L715 T721	F653-A717 HydrophobicContact CE1-CB 4.41Å; F653-A717 HydrophobicContact CZ-CB 4.09Å; L689-A717 HydrophobicContact CB-CB 4.44Å; K713-A717 WeakPolarHBondContact O-CB 3.18Å; K713-A717 PolarHBondContact O-N 3.14Å; L715-A717 PolarHBondContact O-N 3.06Å; A717-T721 WeakPolarHBondContact O-CG2 3.49Å; A717-T721 PolarHBondContact O-N 3.28Å; A717-T721 PolarHBondContact O-OG1 3.48Å
718	V	72.3	Confident	66.7	Low	6 Å²	6	66.6 Å²	66.6	4%	0.036	35%	0.347	C	S	.	.	H	α-helix	trans	-79.8	-27	179.3	171.7	0	0	0	0	113.2	R649 L650 F653 L714 L715 T716	R649-V718 HydrophobicContact CB-CG1 3.48Å; R649-V718 VanDerWaalsContact CB-CG1 3.48Å; L650-V718 HydrophobicContact CB-CG1 4.42Å; L650-V718 HydrophobicContact CB-CG2 4.07Å; L650-V718 HydrophobicContact CD1-CG2 3.65Å; L650-V718 HydrophobicContact CG-CG2 4.46Å; F653-V718 HydrophobicContact CB-CG2 4.42Å; F653-V718 HydrophobicContact CD1-CG2 4.25Å; F653-V718 HydrophobicContact CG-CG2 4.49Å; L714-V718 WeakPolarHBondContact O-CB 3.45Å; L714-V718 VanDerWaalsContact O-CG2 3.23Å; L714-V718 WeakPolarHBondContact O-CG2 3.44Å; L714-V718 PolarHBondContact O-N 3.28Å; L714-V718 VanDerWaalsContact O-N 3.07Å; L715-V718 PolarHBondContact O-N 3Å; L715-V718 VanDerWaalsContact O-N 3.15Å; T716-V718 VanDerWaalsContact C-N 3.27Å; T716-V718 PolarHBondContact O-N 3.31Å
719	E	65.4	Low	65.3	Low	88 Å²	88	63.7 Å²	63.7	41%	0.411	34%	0.336	S	S	.	.	H	α-helix	trans	-92.6	-24.8	178.6	-67.5	-172.9	166	0	0	113	R646 L715 T716	R646-E719 IonicContact CZ-OE1 2.74Å; R646-E719 VanDerWaalsContact CZ-OE1 3.29Å; R646-E719 IonicContact NE-OE1 2.68Å; R646-E719 PolarHBondContact NE-OE1 2.75Å; R646-E719 IonicContact NH2-OE1 2.93Å; R646-E719 PolarHBondContact NH2-OE1 2.68Å; R646-E719 IonicContact NH2-OE2 3.27Å; L715-E719 HydrophobicContact CD1-CG 4.1Å; L715-E719 WeakPolarHBondContact CD1-OE1 3.12Å; L715-E719 HydrophobicContact CG-CG 4.4Å; L715-E719 WeakPolarHBondContact O-CB 3.31Å; L715-E719 WeakPolarHBondContact O-CG 3.47Å; L715-E719 PolarHBondContact O-N 2.93Å; T716-E719 PolarHBondContact O-N 2.82Å
720	E	60.1	Low	63.9	Low	117 Å²	117	65.2 Å²	65.2	55%	0.547	35%	0.346	S	S	.	.	H	α-helix	trans	-90.9	-19.5	178.7	-67.4	-175.3	166.7	0	0	114.5	T716 C722	T716-E720 HydrophobicContact CG2-CG 4.04Å; T716-E720 VanDerWaalsContact CG2-OE2 3.29Å; T716-E720 WeakPolarHBondContact CG2-OE2 3.12Å; T716-E720 VanDerWaalsContact O-CB 3.27Å; T716-E720 WeakPolarHBondContact O-CB 3.04Å; T716-E720 WeakPolarHBondContact O-CG 3.36Å; T716-E720 PolarHBondContact O-N 3.42Å; E720-C722 PolarHBondContact O-N 2.73Å
721	T	51.3	Low	62.3	Low	49 Å²	49	68.9 Å²	68.9	30%	0.301	37%	0.366	S	S	.	.			trans	-75.2	72.9	175.8	48.5	0	0	0	0	114	F653 A717 G723	F653-T721 HydrophobicContact CD2-CG2 3.68Å; F653-T721 WeakPolarHBondContact CD2-OG1 3.39Å; F653-T721 HydrophobicContact CE2-CG2 3.59Å; A717-T721 WeakPolarHBondContact O-CG2 3.49Å; A717-T721 PolarHBondContact O-N 3.28Å; A717-T721 PolarHBondContact O-OG1 3.48Å; T721-G723 PolarHBondContact O-N 3.37Å
722	C	43.8	Very low	60.6	Low	116 Å²	116	69.5 Å²	69.5	78%	0.784	37%	0.374	S	S	*	.	S	Bend	trans	-88.4	48	149.8	-72.4	0	0	0	0	110.5	E720	E720-C722 PolarHBondContact O-N 2.73Å
723	G	39.9	Very low	58.8	Low	6 Å²	6	65.7 Å²	65.7	6%	0.062	36%	0.359	C	S	.	.	S	Bend	trans	154.7	151.1	174.9	0	0	0	0	0	113.9	T721 A725	T721-G723 PolarHBondContact O-N 3.37Å; G723-A725 PolarHBondContact O-N 2.8Å
724	F	44.4	Very low	56.7	Low	78 Å²	78	67.6 Å²	67.6	34%	0.342	37%	0.373	S	S	.	.	S	Bend	trans	-82.7	7.7	-179.2	-70.3	-58.9	0	0	0	114.6	E419 T694	E419-F724 HydrophobicContact CB-CE2 3.64Å; E419-F724 HydrophobicContact CB-CZ 4.22Å; E419-F724 HydrophobicContact CG-CE2 4.07Å; E419-F724 WeakPolarHBondContact OE2-CD2 3.42Å; E419-F724 WeakPolarHBondContact OE2-CE2 3.03Å; T694-F724 HydrophobicContact CG2-CD1 4.47Å; T694-F724 HydrophobicContact CG2-CE1 3.42Å; T694-F724 VanDerWaalsContact CG2-CE1 3.42Å; T694-F724 HydrophobicContact CG2-CZ 3.62Å
725	A	32.6	Very low	54.5	Low	64 Å²	64	72.7 Å²	72.7	53%	0.529	40%	0.401	S	S	.	.			trans	-133.5	77.8	-179.1	0	0	0	0	0	110.6	E408 G723	E408-A725 HydrophobicContact CG-CB 4.17Å; G723-A725 PolarHBondContact O-N 2.8Å
726	V	30	Very low	52.3	Low	105 Å²	105	76.4 Å²	76.4	64%	0.636	42%	0.422	S	S	*	.			trans	-118.8	103.5	156.3	-168.9	0	0	0	0	105.6
727	E	29.7	Very low	49.8	Very low	245 Å²	245	79.8 Å²	79.8	100%	1.145	44%	0.439	S	S	*	.			trans	-80.1	0	173.4	-70.6	-161.6	126.1	0	0	111.7

Retrieved 727 of 727 residues in 165.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).