A0A3Q0KKN9_SCHMA Loading...

ATP-binding cassette, sub-family E (Oabp),member, putative

AlphaFold DB , UniProt , Accession A0A3Q0KKN9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 604 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	43.4	Very low	240 Å²	240	137.3 Å²	137.3	100%	1.182	72%	0.72	S	S	*	*				0	98.3	0	-75.1	175.3	171.3	0	0	107.6	Q3	M1-Q3 PolarHBondContact O-N 3.36Å
2	T	38.7	Very low	46	Very low	139 Å²	139	132.1 Å²	132.1	85%	0.853	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-59.7	117.5	167	39.8	0	0	0	0	107
3	Q	34.2	Very low	48.4	Very low	174 Å²	174	121.9 Å²	121.9	81%	0.813	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-51.1	130.8	170.5	-75.6	-180	-11.3	0	0	107.2	M1	M1-Q3 PolarHBondContact O-N 3.36Å
4	P	33.3	Very low	50.8	Low	106 Å²	106	113.4 Å²	113.4	69%	0.688	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-55.2	143.6	175.6	24.8	-32.2	0	0	0	107.5	T6	P4-T6 PolarHBondContact O-N 2.96Å
5	P	37.3	Very low	52.9	Low	120 Å²	120	106.7 Å²	106.7	78%	0.779	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-49.7	121	-179.9	21.4	-31.4	0	0	0	106.5	Q7	P5-Q7 VanDerWaalsContact C-N 3.32Å; P5-Q7 PolarHBondContact O-N 3.19Å
6	T	37.8	Very low	54.9	Low	124 Å²	124	101 Å²	101	76%	0.761	52%	0.524	S	S	*	.			trans	-45.7	108	171.3	39.9	0	0	0	0	104.8	P4 E8	P4-T6 PolarHBondContact O-N 2.96Å; T6-E8 VanDerWaalsContact C-N 3.34Å; T6-E8 PolarHBondContact O-N 2.96Å
7	Q	39.4	Very low	56.4	Low	182 Å²	182	97.2 Å²	97.2	85%	0.85	51%	0.508	S	S	*	.			trans	-46.9	112.3	173.3	-79.1	178.7	-10.9	0	0	103.6	P5 K9	P5-Q7 VanDerWaalsContact C-N 3.32Å; P5-Q7 PolarHBondContact O-N 3.19Å; Q7-K9 VanDerWaalsContact C-N 3.33Å; Q7-K9 PolarHBondContact O-N 3.31Å
8	E	44	Very low	57.6	Low	145 Å²	145	95.7 Å²	95.7	68%	0.678	51%	0.507	S	S	*	.			trans	-48.6	112.6	177.5	-78.3	-173.9	152.8	0	0	104.2	T6 L10	T6-E8 VanDerWaalsContact C-N 3.34Å; T6-E8 PolarHBondContact O-N 2.96Å; E8-L10 PolarHBondContact O-N 3.37Å
9	K	52.4	Low	58.5	Low	180 Å²	180	97.4 Å²	97.4	78%	0.783	52%	0.516	S	S	*	.			trans	-66.9	94.3	-172.9	-158.6	-177.1	-173.8	-173	0	102.9	Q7 T11	Q7-K9 VanDerWaalsContact C-N 3.33Å; Q7-K9 PolarHBondContact O-N 3.31Å; K9-T11 WeakPolarHBondContact O-CG2 3.34Å; K9-T11 PolarHBondContact O-N 3.18Å
10	L	56.3	Low	59.7	Low	88 Å²	88	95.5 Å²	95.5	46%	0.461	50%	0.504	S	S	.	.			trans	-57.3	110.7	-177.7	-76.4	167.7	0	0	0	105.1	E8 R12	E8-L10 PolarHBondContact O-N 3.37Å; L10-R12 WeakPolarHBondContact O-CG 3.42Å
11	T	64.9	Low	60.8	Low	12 Å²	12	91.6 Å²	91.6	7%	0.074	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	134.1	-178.5	55.3	0	0	0	0	106	K9 L80 P81 E85	K9-T11 WeakPolarHBondContact O-CG2 3.34Å; K9-T11 PolarHBondContact O-N 3.18Å; T11-L80 PolarHBondContact O-N 3.23Å; T11-L80 WeakPolarHBondContact OG1-CB 3.45Å; T11-L80 PolarHBondContact OG1-O 3.07Å; T11-P81 PolarHBondContact OG1-O 3.32Å; T11-E85 HydrophobicContact CG2-CB 3.9Å; T11-E85 VanDerWaalsContact CG2-CD 3.47Å; T11-E85 HydrophobicContact CG2-CG 4.27Å; T11-E85 WeakPolarHBondContact CG2-OE2 3.47Å
12	R	73.9	Confident	63	Low	75 Å²	75	84.8 Å²	84.8	28%	0.283	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.3	-171.1	-57.7	-178.6	-176.1	112.2	8.5	108.9	L10 C60 I78	L10-R12 WeakPolarHBondContact O-CG 3.42Å; R12-C60 PolarHBondContact NH1-O 3.04Å; R12-I78 WeakPolarHBondContact CA-O 3.2Å
13	I	77.1	Confident	65.2	Low	0 Å²	0	78.4 Å²	78.4	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.7	165.2	-51.7	176.4	0	0	0	107.6	I15 I77 I78 L80 K98 Y301	I13-I15 HydrophobicContact CB-CD1 4Å; I13-I15 HydrophobicContact CG2-CD1 3.36Å; I13-I15 HydrophobicContact CG2-CG1 3.6Å; I13-I77 WeakPolarHBondContact O-CA 3.3Å; I13-I78 PolarHBondContact N-O 2.81Å; I13-I78 PolarHBondContact O-N 2.9Å; I13-L80 HydrophobicContact CD1-CD1 3.23Å; I13-L80 HydrophobicContact CD1-CD2 4.12Å; I13-L80 HydrophobicContact CD1-CG 3.64Å; I13-L80 HydrophobicContact CG1-CD1 3.54Å; I13-L80 HydrophobicContact CG1-CG 3.85Å; I13-K98 HydrophobicContact CD1-CB 4.35Å; I13-K98 HydrophobicContact CD1-CD 3.77Å; I13-K98 HydrophobicContact CD1-CG 4.29Å; I13-K98 HydrophobicContact CG1-CD 3.95Å; I13-K98 HydrophobicContact CG2-CD 4.44Å; I13-Y301 HydrophobicContact CD1-CD1 4.08Å; I13-Y301 HydrophobicContact CD1-CG 3.98Å
14	A	82	Confident	67.6	Low	2 Å²	2	78 Å²	78	2%	0.017	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.8	164.2	0	0	0	0	0	107.4	L55 E57 S76 N95	A14-L55 HydrophobicContact CB-CB 3.78Å; A14-L55 HydrophobicContact CB-CD2 4.14Å; A14-E57 HydrophobicContact CB-CG 4.2Å; A14-E57 PolarHBondContact N-OE1 3.16Å; A14-S76 CarbonylContact C-O 3.55Å; A14-S76 WeakPolarHBondContact CA-O 3.29Å; A14-N95 WeakPolarHBondContact O-CA 3.43Å; A14-N95 WeakPolarHBondContact O-CB 3.48Å; A14-N95 PolarHBondContact O-ND2 3.18Å
15	I	83	Confident	70.1	Confident	14 Å²	14	80.6 Å²	80.6	7%	0.072	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138	175.2	-63.3	111.1	0	0	0	109.8	I13 I75 S76 I78 N95 A300	I13-I15 HydrophobicContact CB-CD1 4Å; I13-I15 HydrophobicContact CG2-CD1 3.36Å; I13-I15 HydrophobicContact CG2-CG1 3.6Å; I15-I75 WeakPolarHBondContact O-CA 3.42Å; I15-S76 PolarHBondContact N-O 2.85Å; I15-S76 PolarHBondContact O-N 3.44Å; I15-I78 HydrophobicContact CD1-CD1 3.87Å; I15-N95 WeakPolarHBondContact CA-O 3.31Å; I15-A300 VanDerWaalsContact CD1-CA 3.43Å; I15-A300 HydrophobicContact CD1-CB 3.19Å; I15-A300 HydrophobicContact CG1-CB 3.98Å
16	V	84.4	Confident	72.3	Confident	15 Å²	15	75.8 Å²	75.8	9%	0.091	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	114.9	173.3	-171.9	0	0	0	0	109	S18 C21 I52 A53 L55 A74 I75 N95	V16-S18 PolarHBondContact O-N 3.25Å; V16-C21 HydrophobicContact CG1-CB 3.79Å; V16-I52 HydrophobicContact CB-CG2 4.03Å; V16-I52 HydrophobicContact CG1-CG2 3.53Å; V16-A53 WeakPolarHBondContact CG2-O 3.47Å; V16-L55 HydrophobicContact CG2-CD1 3.5Å; V16-A74 CarbonylContact C-O 3.59Å; V16-A74 WeakPolarHBondContact CA-O 3.48Å; V16-I75 HydrophobicContact CG2-CG1 4.39Å; V16-N95 HydrophobicContact CB-CB 4.35Å; V16-N95 HydrophobicContact CG2-CB 3.99Å; V16-N95 PolarHBondContact N-O 3.48Å; V16-N95 VanDerWaalsContact N-O 3.14Å
17	S	80.9	Confident	74.6	Confident	37 Å²	37	78.7 Å²	78.7	26%	0.259	37%	0.371	S	S	.	.			trans	-69.5	121	176.3	170	0	0	0	0	109.9	D19 K20 C21 A74	S17-D19 PolarHBondContact O-N 3.13Å; S17-D19 PolarHBondContact OG-N 2.85Å; S17-K20 PolarHBondContact OG-N 2.9Å; S17-C21 WeakPolarHBondContact O-CB 3.39Å; S17-C21 PolarHBondContact O-N 2.76Å; S17-A74 PolarHBondContact N-O 2.75Å
18	S	77.6	Confident	76.9	Confident	70 Å²	70	71.7 Å²	71.7	49%	0.49	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.8	176.4	49.6	0	0	0	0	112.9	V16	V16-S18 PolarHBondContact O-N 3.25Å
19	D	75.6	Confident	79.1	Confident	127 Å²	127	67.2 Å²	67.2	68%	0.679	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-31.1	-169.7	-46.4	-32.2	0	0	0	111.3	S17	S17-D19 PolarHBondContact O-N 3.13Å; S17-D19 PolarHBondContact OG-N 2.85Å
20	K	81.1	Confident	80.8	Confident	60 Å²	60	59 Å²	59	26%	0.261	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-35.5	177.9	-65.1	-174.9	172.8	-163.7	0	112.7	S17 K22 F72 A74	S17-K20 PolarHBondContact OG-N 2.9Å; K20-K22 PolarHBondContact O-N 2.95Å; K20-K22 VanDerWaalsContact O-N 3.11Å; K20-F72 HydrophobicContact CB-CB 4.48Å; K20-F72 VanDerWaalsContact O-CB 3.25Å; K20-F72 WeakPolarHBondContact O-CB 3.4Å; K20-A74 HydrophobicContact CB-CB 3.65Å
21	C	84.4	Confident	82.4	Confident	13 Å²	13	58.1 Å²	58.1	9%	0.088	28%	0.275	C	S	.	.			trans	-69.7	111.5	-176	-164.7	0	0	0	0	110.5	V16 S17 A74	V16-C21 HydrophobicContact CG1-CB 3.79Å; S17-C21 WeakPolarHBondContact O-CB 3.39Å; S17-C21 PolarHBondContact O-N 2.76Å; C21-A74 HydrophobicContact CB-CB 3.82Å
22	K	85.1	Confident	83.5	Confident	98 Å²	98	65.2 Å²	65.2	43%	0.426	30%	0.3	S	S	.	.			trans	-125.8	80.1	177.3	-64.4	-179.6	-175	174	0	110.9	K20 K24 K25 C26 F72	K20-K22 PolarHBondContact O-N 2.95Å; K20-K22 VanDerWaalsContact O-N 3.11Å; K22-K24 PolarHBondContact O-N 3.41Å; K22-K24 VanDerWaalsContact O-N 3.11Å; K22-K25 HydrophobicContact CB-CB 4.18Å; K22-K25 HydrophobicContact CB-CG 4.46Å; K22-K25 HydrophobicContact CD-CD 4.2Å; K22-K25 PolarHBondContact O-N 2.77Å; K22-C26 PolarHBondContact O-N 3.11Å; K22-F72 HydrophobicContact CB-CD2 4.22Å; K22-F72 HydrophobicContact CB-CE2 3.83Å; K22-F72 HydrophobicContact CB-CZ 4.32Å
23	P	85	Confident	84.2	Confident	4 Å²	4	62.9 Å²	62.9	3%	0.026	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.9	-179.9	-28.2	37.8	0	0	0	114.5	K25 C26 V46 T47 D50 K51	P23-K25 VanDerWaalsContact C-N 3.31Å; P23-K25 PolarHBondContact O-N 3.37Å; P23-C26 VanDerWaalsContact O-O 3.12Å; P23-V46 HydrophobicContact CB-CG2 3.75Å; P23-V46 HydrophobicContact CG-CG2 3.82Å; P23-T47 WeakPolarHBondContact CB-O 3.15Å; P23-D50 WeakPolarHBondContact CB-O 3.48Å; P23-D50 VanDerWaalsContact CG-O 3.32Å; P23-D50 WeakPolarHBondContact CG-O 3.37Å; P23-K51 WeakPolarHBondContact CD-O 3.49Å
24	K	85.2	Confident	84.7	Confident	167 Å²	167	63.1 Å²	63.1	73%	0.726	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-27.4	174.5	-68.3	-174.9	-179.2	-170.5	0	114.3	K22 P48	K22-K24 PolarHBondContact O-N 3.41Å; K22-K24 VanDerWaalsContact O-N 3.11Å; K24-P48 WeakPolarHBondContact CG-O 3.45Å
25	K	84.1	Confident	85.1	Confident	159 Å²	159	64.9 Å²	64.9	69%	0.691	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-8.2	-175.2	-65.6	-169.6	177.3	-169.3	0	113.3	K22 P23 F72	K22-K25 HydrophobicContact CB-CB 4.18Å; K22-K25 HydrophobicContact CB-CG 4.46Å; K22-K25 HydrophobicContact CD-CD 4.2Å; K22-K25 PolarHBondContact O-N 2.77Å; P23-K25 VanDerWaalsContact C-N 3.31Å; P23-K25 PolarHBondContact O-N 3.37Å; K25-F72 HydrophobicContact CB-CE2 4.05Å; K25-F72 HydrophobicContact CB-CZ 3.67Å
26	C	84.5	Confident	85.3	Confident	19 Å²	19	64.6 Å²	64.6	13%	0.128	31%	0.307	C	S	.	.	S	Bend	trans	-112.7	161.6	176.5	73.1	0	0	0	0	111.2	K22 P23 Q28 E29 P71 F72	K22-C26 PolarHBondContact O-N 3.11Å; P23-C26 VanDerWaalsContact O-O 3.12Å; C26-Q28 PolarHBondContact O-N 3.46Å; C26-E29 VanDerWaalsContact CB-OE2 3.29Å; C26-E29 WeakPolarHBondContact CB-OE2 3.48Å; C26-P71 HydrophobicContact CB-CG 3.73Å; C26-F72 HydrophobicContact CB-CD2 4.35Å; C26-F72 HydrophobicContact CB-CE2 3.82Å
27	R	86.6	Confident	85.4	Confident	186 Å²	186	65.4 Å²	65.4	70%	0.702	31%	0.312	S	S	*	.			trans	-90.5	27	177.8	-57.6	-179	175	-174.8	-1	112.3	E29 R32	R27-E29 VanDerWaalsContact C-N 3.26Å; R27-E29 VanDerWaalsContact CB-OE1 3.29Å; R27-E29 WeakPolarHBondContact CB-OE1 3.34Å; R27-E29 VanDerWaalsContact N-CD 3.3Å; R27-E29 PolarHBondContact N-OE1 3.31Å; R27-E29 PolarHBondContact N-OE2 3.2Å; R27-E29 PolarHBondContact O-N 3.36Å; R27-R32 PolarHBondContact O-NE 2.95Å
28	Q	87.8	Confident	85.7	Confident	34 Å²	34	72.7 Å²	72.7	16%	0.159	33%	0.334	C	S	.	.			trans	51.8	43.1	-173.8	-55.1	117	39.8	0	0	112.6	C26 C30 K31 R32 V46 P48	C26-Q28 PolarHBondContact O-N 3.46Å; Q28-C30 PolarHBondContact O-N 3.4Å; Q28-C30 VanDerWaalsContact O-N 3.16Å; Q28-K31 HydrophobicContact CB-CB 4.37Å; Q28-K31 PolarHBondContact O-N 2.87Å; Q28-R32 PolarHBondContact O-N 3.23Å; Q28-R32 VanDerWaalsContact O-N 3.12Å; Q28-V46 HydrophobicContact CB-CG1 3.95Å; Q28-V46 HydrophobicContact CG-CG1 3.95Å; Q28-V46 HydrophobicContact CG-CG2 4.11Å; Q28-P48 VanDerWaalsContact NE2-CG 3.34Å
29	E	88.3	Confident	86.3	Confident	51 Å²	51	76.5 Å²	76.5	24%	0.238	35%	0.346	C	S	.	.	H	α-helix	trans	-56.8	-32.9	-177	-65.1	81.2	179.8	0	0	111.7	C26 R27 S33 K69	C26-E29 VanDerWaalsContact CB-OE2 3.29Å; C26-E29 WeakPolarHBondContact CB-OE2 3.48Å; R27-E29 VanDerWaalsContact C-N 3.26Å; R27-E29 VanDerWaalsContact CB-OE1 3.29Å; R27-E29 WeakPolarHBondContact CB-OE1 3.34Å; R27-E29 VanDerWaalsContact N-CD 3.3Å; R27-E29 PolarHBondContact N-OE1 3.31Å; R27-E29 PolarHBondContact N-OE2 3.2Å; R27-E29 PolarHBondContact O-N 3.36Å; E29-S33 WeakPolarHBondContact O-CB 3.4Å; E29-S33 PolarHBondContact O-N 3.42Å; E29-S33 PolarHBondContact O-OG 3.06Å; E29-K69 WeakPolarHBondContact CB-O 3.41Å
30	C	89.2	Confident	86.7	Confident	8 Å²	8	73.7 Å²	73.7	5%	0.054	35%	0.346	C	S	.	.	H	α-helix	trans	-58.9	-50	174.8	54.9	0	0	0	0	112.2	Q28 C34 I44 C66 I75	Q28-C30 PolarHBondContact O-N 3.4Å; Q28-C30 VanDerWaalsContact O-N 3.16Å; C30-C34 WeakPolarHBondContact O-CB 3.45Å; C30-C34 PolarHBondContact O-N 2.88Å; C30-I44 HydrophobicContact CB-CD1 4.41Å; C30-I44 WeakPolarHBondContact O-CD1 3.43Å; C30-C66 HydrophobicContact CB-CB 3.89Å; C30-I75 HydrophobicContact CB-CD1 3.39Å
31	K	89.1	Confident	87	Confident	70 Å²	70	76.5 Å²	76.5	30%	0.304	36%	0.358	S	S	.	.	H	α-helix	trans	-66.4	-45.8	179.2	-176.8	176.2	179.9	-178.5	0	111.5	Q28 S33 C34 V37 I44 V46	Q28-K31 HydrophobicContact CB-CB 4.37Å; Q28-K31 PolarHBondContact O-N 2.87Å; K31-S33 VanDerWaalsContact C-N 3.33Å; K31-S33 PolarHBondContact O-N 3.12Å; K31-C34 PolarHBondContact O-N 3.31Å; K31-V37 HydrophobicContact CG-CG1 4Å; K31-I44 HydrophobicContact CB-CB 4.36Å; K31-I44 HydrophobicContact CB-CG2 4.13Å; K31-V46 HydrophobicContact CB-CG1 3.71Å; K31-V46 HydrophobicContact CD-CG1 3.93Å; K31-V46 HydrophobicContact CG-CG1 4.39Å
32	R	87.8	Confident	87.2	Confident	161 Å²	161	81.5 Å²	81.5	61%	0.608	38%	0.384	S	S	*	.	H	α-helix	trans	-66.8	-31	-179.2	-67.4	-178.7	180	-165.8	-0.5	113.8	R27 Q28 R38	R27-R32 PolarHBondContact O-NE 2.95Å; Q28-R32 PolarHBondContact O-N 3.23Å; Q28-R32 VanDerWaalsContact O-N 3.12Å; R32-R38 PolarHBondContact O-NE 2.67Å; R32-R38 PolarHBondContact O-NH2 2.88Å
33	S	88.7	Confident	87.2	Confident	25 Å²	25	76.8 Å²	76.8	18%	0.175	36%	0.363	C	S	.	.	H	α-helix	trans	-91.7	-9.9	-177.9	-50.7	0	0	0	0	113.1	E29 K31 P35	E29-S33 WeakPolarHBondContact O-CB 3.4Å; E29-S33 PolarHBondContact O-N 3.42Å; E29-S33 PolarHBondContact O-OG 3.06Å; K31-S33 VanDerWaalsContact C-N 3.33Å; K31-S33 PolarHBondContact O-N 3.12Å; S33-P35 VanDerWaalsContact O-CD 3.31Å; S33-P35 WeakPolarHBondContact O-CD 3.02Å
34	C	89.2	Confident	87.4	Confident	6 Å²	6	76.7 Å²	76.7	4%	0.041	36%	0.362	C	S	.	.			trans	-70.6	120	-179.8	-176.9	0	0	0	0	110.8	C30 K31 V36 V37 R38 I44	C30-C34 WeakPolarHBondContact O-CB 3.45Å; C30-C34 PolarHBondContact O-N 2.88Å; K31-C34 PolarHBondContact O-N 3.31Å; C34-V36 VanDerWaalsContact C-N 3.26Å; C34-V36 PolarHBondContact O-N 3.34Å; C34-V37 HydrophobicContact CB-CB 3.96Å; C34-V37 HydrophobicContact CB-CG2 3.73Å; C34-V37 PolarHBondContact O-N 2.78Å; C34-R38 WeakPolarHBondContact O-CG 3.31Å; C34-R38 PolarHBondContact O-N 3.33Å; C34-I44 HydrophobicContact CB-CD1 3.74Å; C34-I44 HydrophobicContact CB-CG1 4.13Å
35	P	88.8	Confident	87.5	Confident	39 Å²	39	73 Å²	73	25%	0.253	35%	0.348	S	S	.	.	H	α-helix	trans	-59	-38.1	178.1	-24.4	34.7	0	0	0	112.6	S33 V37 R38 M39 I61 I65	S33-P35 VanDerWaalsContact O-CD 3.31Å; S33-P35 WeakPolarHBondContact O-CD 3.02Å; P35-V37 PolarHBondContact O-N 2.73Å; P35-R38 WeakPolarHBondContact O-CB 3.28Å; P35-R38 PolarHBondContact O-N 3.12Å; P35-M39 WeakPolarHBondContact O-CG 3.3Å; P35-M39 PolarHBondContact O-N 3.44Å; P35-I61 HydrophobicContact CB-CD1 4.21Å; P35-I61 HydrophobicContact CG-CD1 4.35Å; P35-I65 HydrophobicContact CG-CD1 3.8Å
36	V	87.3	Confident	87.7	Confident	7 Å²	7	65.5 Å²	65.5	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-68	-37.1	-178.2	-176.4	0	0	0	0	111.6	C34 M39 K41 C43 L59 I61	C34-V36 VanDerWaalsContact C-N 3.26Å; C34-V36 PolarHBondContact O-N 3.34Å; V36-M39 PolarHBondContact O-N 2.77Å; V36-K41 HydrophobicContact CG1-CB 3.69Å; V36-K41 HydrophobicContact CG1-CD 4.11Å; V36-K41 HydrophobicContact CG1-CG 4.43Å; V36-K41 PolarHBondContact O-N 2.83Å; V36-K41 VanDerWaalsContact O-N 3.13Å; V36-C43 HydrophobicContact CB-CB 3.68Å; V36-C43 HydrophobicContact CG1-CB 3.52Å; V36-L59 HydrophobicContact CG1-CB 4.34Å; V36-I61 HydrophobicContact CG2-CB 4.31Å; V36-I61 HydrophobicContact CG2-CD1 4.14Å; V36-I61 HydrophobicContact CG2-CG1 3.86Å; V36-I61 HydrophobicContact CG2-CG2 3.73Å
37	V	87.6	Confident	87.8	Confident	33 Å²	33	67.5 Å²	67.5	20%	0.2	33%	0.327	C	S	.	.	H	α-helix	trans	-68.3	-37.9	172.6	179.5	0	0	0	0	111.2	K31 C34 P35 M39 G40 K41 C43 I44	K31-V37 HydrophobicContact CG-CG1 4Å; C34-V37 HydrophobicContact CB-CB 3.96Å; C34-V37 HydrophobicContact CB-CG2 3.73Å; C34-V37 PolarHBondContact O-N 2.78Å; P35-V37 PolarHBondContact O-N 2.73Å; V37-M39 PolarHBondContact O-N 3.07Å; V37-G40 PolarHBondContact O-N 3.04Å; V37-K41 VanDerWaalsContact CA-O 3.3Å; V37-K41 WeakPolarHBondContact CA-O 3.25Å; V37-C43 HydrophobicContact CG2-CB 4Å; V37-I44 HydrophobicContact CG2-CB 4.08Å; V37-I44 HydrophobicContact CG2-CG1 4.24Å
38	R	87.4	Confident	87.6	Confident	189 Å²	189	61.8 Å²	61.8	71%	0.713	31%	0.314	S	S	*	.	H	α-helix	trans	-64.3	-28.9	173.5	-70	179.9	178.5	-163.2	-2.6	113	R32 C34 P35 G40	R32-R38 PolarHBondContact O-NE 2.67Å; R32-R38 PolarHBondContact O-NH2 2.88Å; C34-R38 WeakPolarHBondContact O-CG 3.31Å; C34-R38 PolarHBondContact O-N 3.33Å; P35-R38 WeakPolarHBondContact O-CB 3.28Å; P35-R38 PolarHBondContact O-N 3.12Å; R38-G40 PolarHBondContact O-N 2.79Å
39	M	88.6	Confident	87.5	Confident	151 Å²	151	66.6 Å²	66.6	74%	0.744	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	4.5	171.2	-65	177.5	77.4	0	0	113.5	P35 V36 V37	P35-M39 WeakPolarHBondContact O-CG 3.3Å; P35-M39 PolarHBondContact O-N 3.44Å; V36-M39 PolarHBondContact O-N 2.77Å; V37-M39 PolarHBondContact O-N 3.07Å
40	G	84.8	Confident	87.3	Confident	67 Å²	67	67.1 Å²	67.1	69%	0.691	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	5.7	176.7	0	0	0	0	0	115.6	V37 R38	V37-G40 PolarHBondContact O-N 3.04Å; R38-G40 PolarHBondContact O-N 2.79Å
41	K	88.2	Confident	87.1	Confident	119 Å²	119	75.7 Å²	75.7	52%	0.517	38%	0.382	S	S	.	.			trans	-92.7	144.8	177	-64.6	-176.3	-177.1	-176.2	0	111.4	V36 V37 C43 L59	V36-K41 HydrophobicContact CG1-CB 3.69Å; V36-K41 HydrophobicContact CG1-CD 4.11Å; V36-K41 HydrophobicContact CG1-CG 4.43Å; V36-K41 PolarHBondContact O-N 2.83Å; V36-K41 VanDerWaalsContact O-N 3.13Å; V37-K41 VanDerWaalsContact CA-O 3.3Å; V37-K41 WeakPolarHBondContact CA-O 3.25Å; K41-C43 PolarHBondContact O-N 3.44Å; K41-L59 HydrophobicContact CD-CD2 4.32Å
42	L	87	Confident	86.9	Confident	118 Å²	118	76 Å²	76	62%	0.618	39%	0.386	S	S	*	.			trans	-78.4	60.2	-179.6	-63.2	174.4	0	0	0	112.7	L59	L42-L59 WeakPolarHBondContact O-CD1 3.09Å
43	C	86.5	Confident	86.9	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.359	C	S	.	.	S	Bend	trans	-75.6	-34.2	179.5	177.1	0	0	0	0	113.2	V36 V37 K41 L55 S56 L59 C60	V36-C43 HydrophobicContact CB-CB 3.68Å; V36-C43 HydrophobicContact CG1-CB 3.52Å; V37-C43 HydrophobicContact CG2-CB 4Å; K41-C43 PolarHBondContact O-N 3.44Å; C43-L55 WeakPolarHBondContact O-CA 3.35Å; C43-S56 PolarHBondContact O-N 2.81Å; C43-L59 HydrophobicContact CB-CB 3.97Å; C43-C60 VanDerWaalsContact SG-CA 3.6Å
44	I	88.5	Confident	86.9	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.005	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	119.2	178	-50.7	-168.2	0	0	0	108.9	C30 K31 C34 V37 V46 F54 L55 C66	C30-I44 HydrophobicContact CB-CD1 4.41Å; C30-I44 WeakPolarHBondContact O-CD1 3.43Å; K31-I44 HydrophobicContact CB-CB 4.36Å; K31-I44 HydrophobicContact CB-CG2 4.13Å; C34-I44 HydrophobicContact CB-CD1 3.74Å; C34-I44 HydrophobicContact CB-CG1 4.13Å; V37-I44 HydrophobicContact CG2-CB 4.08Å; V37-I44 HydrophobicContact CG2-CG1 4.24Å; I44-V46 HydrophobicContact CG2-CG1 4.2Å; I44-F54 WeakPolarHBondContact CA-O 3.34Å; I44-L55 HydrophobicContact CD1-CD2 3.95Å; I44-L55 HydrophobicContact CD1-CG 4.16Å; I44-L55 HydrophobicContact CG1-CD2 4.21Å; I44-L55 HydrophobicContact CG1-CG 3.97Å; I44-L55 HydrophobicContact CG2-CD1 4.22Å; I44-L55 HydrophobicContact CG2-CG 4.22Å; I44-C66 HydrophobicContact CD1-CB 3.73Å
45	E	88.2	Confident	86.8	Confident	89 Å²	89	71 Å²	71	42%	0.416	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.1	176.4	-66.5	177.7	-150.4	0	0	108.8	F54	E45-F54 HydrophobicContact CB-CB 4.28Å; E45-F54 HydrophobicContact CB-CD1 4.21Å; E45-F54 HydrophobicContact CG-CD1 4.4Å; E45-F54 PolarHBondContact N-O 3.41Å; E45-F54 PolarHBondContact O-N 2.91Å
46	V	87.2	Confident	86.6	Confident	3 Å²	3	70 Å²	70	2%	0.018	36%	0.36	C	S	.	.			trans	-156.2	131.4	175.5	56.7	0	0	0	0	108.6	P23 Q28 K31 I44 A53	P23-V46 HydrophobicContact CB-CG2 3.75Å; P23-V46 HydrophobicContact CG-CG2 3.82Å; Q28-V46 HydrophobicContact CB-CG1 3.95Å; Q28-V46 HydrophobicContact CG-CG1 3.95Å; Q28-V46 HydrophobicContact CG-CG2 4.11Å; K31-V46 HydrophobicContact CB-CG1 3.71Å; K31-V46 HydrophobicContact CD-CG1 3.93Å; K31-V46 HydrophobicContact CG-CG1 4.39Å; I44-V46 HydrophobicContact CG2-CG1 4.2Å; V46-A53 HydrophobicContact CB-CB 3.81Å; V46-A53 HydrophobicContact CG1-CB 4.46Å; V46-A53 HydrophobicContact CG2-CB 3.96Å
47	T	86.6	Confident	86.4	Confident	60 Å²	60	71.6 Å²	71.6	37%	0.368	37%	0.367	S	S	.	.			trans	-115.2	160.2	170.4	75	0	0	0	0	109.5	P23 N49 D50	P23-T47 WeakPolarHBondContact CB-O 3.15Å; T47-N49 PolarHBondContact O-N 3.46Å; T47-D50 WeakPolarHBondContact CA-OD2 3.29Å; T47-D50 WeakPolarHBondContact CB-OD2 3.29Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.32Å; T47-D50 PolarHBondContact N-OD2 2.81Å; T47-D50 PolarHBondContact O-N 3.4Å; T47-D50 PolarHBondContact OG1-N 2.83Å; T47-D50 PolarHBondContact OG1-OD1 2.81Å; T47-D50 VanDerWaalsContact OG1-OD1 3.12Å; T47-D50 PolarHBondContact OG1-OD2 3.24Å
48	P	83	Confident	86.2	Confident	66 Å²	66	79 Å²	79	43%	0.429	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27	177.3	-12.9	19.8	0	0	0	113.5	K24 Q28	K24-P48 WeakPolarHBondContact CG-O 3.45Å; Q28-P48 VanDerWaalsContact NE2-CG 3.34Å
49	N	84.9	Confident	86	Confident	135 Å²	135	73.1 Å²	73.1	72%	0.722	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-16.9	-177.7	-69.5	-18.1	0	0	0	112.9	T47	T47-N49 PolarHBondContact O-N 3.46Å
50	D	84.8	Confident	85.7	Confident	62 Å²	62	66.3 Å²	66.3	33%	0.332	35%	0.349	S	S	.	.			trans	-66.4	146.8	178.8	-65.3	-30.7	0	0	0	111	P23 T47	P23-D50 WeakPolarHBondContact CB-O 3.48Å; P23-D50 VanDerWaalsContact CG-O 3.32Å; P23-D50 WeakPolarHBondContact CG-O 3.37Å; T47-D50 WeakPolarHBondContact CA-OD2 3.29Å; T47-D50 WeakPolarHBondContact CB-OD2 3.29Å; T47-D50 WeakPolarHBondContact CG2-OD2 3.32Å; T47-D50 PolarHBondContact N-OD2 2.81Å; T47-D50 PolarHBondContact O-N 3.4Å; T47-D50 PolarHBondContact OG1-N 2.83Å; T47-D50 PolarHBondContact OG1-OD1 2.81Å; T47-D50 VanDerWaalsContact OG1-OD1 3.12Å; T47-D50 PolarHBondContact OG1-OD2 3.24Å
51	K	84.3	Confident	85.7	Confident	189 Å²	189	67.6 Å²	67.6	82%	0.822	34%	0.339	S	S	*	.	S	Bend	trans	-73.5	-36.2	173.9	-68.4	-178.9	179	179	0	111.4	P23	P23-K51 WeakPolarHBondContact CD-O 3.49Å
52	I	85.9	Confident	85.2	Confident	77 Å²	77	62.9 Å²	62.9	40%	0.395	32%	0.324	S	S	.	.	S	Bend	trans	-143.9	146.5	-171	-57.4	178.3	0	0	0	108.7	V16	V16-I52 HydrophobicContact CB-CG2 4.03Å; V16-I52 HydrophobicContact CG1-CG2 3.53Å
53	A	87.7	Confident	84.9	Confident	4 Å²	4	59.8 Å²	59.8	3%	0.033	31%	0.312	C	S	.	.			trans	-78.1	138.1	171.1	0	0	0	0	0	111.4	V16 V46 L55	V16-A53 WeakPolarHBondContact CG2-O 3.47Å; V46-A53 HydrophobicContact CB-CB 3.81Å; V46-A53 HydrophobicContact CG1-CB 4.46Å; V46-A53 HydrophobicContact CG2-CB 3.96Å; A53-L55 HydrophobicContact CB-CD1 4.26Å
54	F	87.5	Confident	84.6	Confident	79 Å²	79	60.5 Å²	60.5	35%	0.346	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.9	172.4	174	-100.6	0	0	0	110.4	I44 E45 P94 N95	I44-F54 WeakPolarHBondContact CA-O 3.34Å; E45-F54 HydrophobicContact CB-CB 4.28Å; E45-F54 HydrophobicContact CB-CD1 4.21Å; E45-F54 HydrophobicContact CG-CD1 4.4Å; E45-F54 PolarHBondContact N-O 3.41Å; E45-F54 PolarHBondContact O-N 2.91Å; F54-P94 HydrophobicContact CD2-CB 3.84Å; F54-P94 HydrophobicContact CD2-CG 4.34Å; F54-P94 HydrophobicContact CE2-CB 3.54Å; F54-P94 HydrophobicContact CE2-CG 4.35Å; F54-N95 WeakPolarHBondContact CD2-OD1 3.35Å
55	L	88.4	Confident	84.5	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.4	178.2	-80.5	86	0	0	0	109.8	A14 V16 C43 I44 A53 E57 I75 N95	A14-L55 HydrophobicContact CB-CB 3.78Å; A14-L55 HydrophobicContact CB-CD2 4.14Å; V16-L55 HydrophobicContact CG2-CD1 3.5Å; C43-L55 WeakPolarHBondContact O-CA 3.35Å; I44-L55 HydrophobicContact CD1-CD2 3.95Å; I44-L55 HydrophobicContact CD1-CG 4.16Å; I44-L55 HydrophobicContact CG1-CD2 4.21Å; I44-L55 HydrophobicContact CG1-CG 3.97Å; I44-L55 HydrophobicContact CG2-CD1 4.22Å; I44-L55 HydrophobicContact CG2-CG 4.22Å; A53-L55 HydrophobicContact CB-CD1 4.26Å; L55-E57 PolarHBondContact O-N 2.73Å; L55-I75 HydrophobicContact CD1-CD1 4.14Å; L55-I75 HydrophobicContact CD1-CG1 4.49Å; L55-I75 HydrophobicContact CD1-CG2 4.49Å; L55-I75 HydrophobicContact CD2-CG2 3.78Å; L55-N95 PolarHBondContact N-OD1 3.42Å; L55-N95 PolarHBondContact O-ND2 3.37Å; L55-N95 PolarHBondContact O-OD1 3.3Å
56	S	85.2	Confident	84.4	Confident	19 Å²	19	59.3 Å²	59.3	13%	0.133	32%	0.315	C	S	.	.			trans	-71.1	113.3	172.9	175	0	0	0	0	110.4	C43 E58 L59 C60	C43-S56 PolarHBondContact O-N 2.81Å; S56-E58 VanDerWaalsContact C-N 3.27Å; S56-E58 PolarHBondContact O-N 3.31Å; S56-L59 WeakPolarHBondContact OG-CG 3.36Å; S56-L59 PolarHBondContact OG-N 3.11Å; S56-C60 VanDerWaalsContact O-CB 3.25Å; S56-C60 WeakPolarHBondContact O-CB 3.44Å; S56-C60 PolarHBondContact O-N 3.45Å; S56-C60 VanDerWaalsContact O-N 3.11Å
57	E	82.1	Confident	84.3	Confident	41 Å²	41	60.7 Å²	60.7	19%	0.192	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-29.9	177.7	-65	-179.6	163.4	0	0	111.8	A14 L55 R91 K98	A14-E57 HydrophobicContact CB-CG 4.2Å; A14-E57 PolarHBondContact N-OE1 3.16Å; L55-E57 PolarHBondContact O-N 2.73Å; E57-R91 IonicContact OE1-CZ 3.93Å; E57-R91 IonicContact OE1-NH1 2.77Å; E57-R91 IonicContact OE1-NH2 3.8Å; E57-R91 PolarHBondContact OE1-NH2 2.97Å; E57-R91 IonicContact OE2-CZ 2.78Å; E57-R91 IonicContact OE2-NH1 2.95Å; E57-R91 PolarHBondContact OE2-NH1 3.04Å; E57-R91 IonicContact OE2-NH2 3.74Å; E57-R91 PolarHBondContact OE2-NH2 2.95Å; E57-K98 IonicContact OE1-NZ 3.54Å; E57-K98 IonicContact OE2-NZ 3.4Å; E57-K98 PolarHBondContact OE2-NZ 2.92Å
58	E	82.5	Confident	84.3	Confident	189 Å²	189	66.7 Å²	66.7	88%	0.883	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-39.7	179.4	-63.1	177.7	-177.9	0	0	112.7	S56	S56-E58 VanDerWaalsContact C-N 3.27Å; S56-E58 PolarHBondContact O-N 3.31Å
59	L	84.4	Confident	84.4	Confident	64 Å²	64	69.6 Å²	69.6	34%	0.335	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-22.6	-178.8	-63.8	177.3	0	0	0	112.6	V36 K41 L42 C43 S56 I61	V36-L59 HydrophobicContact CG1-CB 4.34Å; K41-L59 HydrophobicContact CD-CD2 4.32Å; L42-L59 WeakPolarHBondContact O-CD1 3.09Å; C43-L59 HydrophobicContact CB-CB 3.97Å; S56-L59 WeakPolarHBondContact OG-CG 3.36Å; S56-L59 PolarHBondContact OG-N 3.11Å; L59-I61 PolarHBondContact O-N 3.2Å
60	C	82.9	Confident	84.5	Confident	8 Å²	8	63.9 Å²	63.9	5%	0.054	32%	0.322	C	S	.	.			trans	-68.5	122.7	-176.2	-176.1	0	0	0	0	112.2	R12 C43 S56 G62	R12-C60 PolarHBondContact NH1-O 3.04Å; C43-C60 VanDerWaalsContact SG-CA 3.6Å; S56-C60 VanDerWaalsContact O-CB 3.25Å; S56-C60 WeakPolarHBondContact O-CB 3.44Å; S56-C60 PolarHBondContact O-N 3.45Å; S56-C60 VanDerWaalsContact O-N 3.11Å; C60-G62 VanDerWaalsContact C-N 3.29Å; C60-G62 PolarHBondContact O-N 3.2Å; C60-G62 PolarHBondContact SG-N 3.39Å; C60-G62 VanDerWaalsContact SG-N 3.44Å
61	I	83.7	Confident	84.3	Confident	94 Å²	94	64.1 Å²	64.1	48%	0.482	33%	0.327	S	S	.	.			trans	-80.4	-1	176.4	61.4	172.8	0	0	0	114.4	P35 V36 L59 C63	P35-I61 HydrophobicContact CB-CD1 4.21Å; P35-I61 HydrophobicContact CG-CD1 4.35Å; V36-I61 HydrophobicContact CG2-CB 4.31Å; V36-I61 HydrophobicContact CG2-CD1 4.14Å; V36-I61 HydrophobicContact CG2-CG1 3.86Å; V36-I61 HydrophobicContact CG2-CG2 3.73Å; L59-I61 PolarHBondContact O-N 3.2Å; I61-C63 HydrophobicContact CD1-CB 4.24Å; I61-C63 HydrophobicContact CG1-CB 4.16Å; I61-C63 PolarHBondContact O-N 3.48Å
62	G	77.4	Confident	84.3	Confident	21 Å²	21	58.1 Å²	58.1	22%	0.216	30%	0.301	C	S	.	.			trans	77.1	12.9	176.9	0	0	0	0	0	116.2	C60 G64	C60-G62 VanDerWaalsContact C-N 3.29Å; C60-G62 PolarHBondContact O-N 3.2Å; C60-G62 PolarHBondContact SG-N 3.39Å; C60-G62 VanDerWaalsContact SG-N 3.44Å; G62-G64 PolarHBondContact O-N 3.19Å
63	C	81.1	Confident	84	Confident	53 Å²	53	60.1 Å²	60.1	36%	0.358	31%	0.309	S	S	.	.			trans	-61.9	-14.4	-176.1	64.3	0	0	0	0	115.7	I61 I65	I61-C63 HydrophobicContact CD1-CB 4.24Å; I61-C63 HydrophobicContact CG1-CB 4.16Å; I61-C63 PolarHBondContact O-N 3.48Å; C63-I65 HydrophobicContact CB-CD1 4.08Å; C63-I65 HydrophobicContact CB-CG1 4.05Å; C63-I65 PolarHBondContact O-N 3.18Å; C63-I65 VanDerWaalsContact O-N 3.07Å
64	G	80.9	Confident	83.8	Confident	14 Å²	14	60 Å²	60	14%	0.144	31%	0.308	C	S	.	.			trans	64.7	10.2	-179.1	0	0	0	0	0	115	G62 S67 K68	G62-G64 PolarHBondContact O-N 3.19Å; G64-S67 PolarHBondContact O-OG 3.44Å; G64-K68 WeakPolarHBondContact O-CG 3.49Å; G64-K68 PolarHBondContact O-N 2.77Å
65	I	85.9	Confident	83.7	Confident	62 Å²	62	56.5 Å²	56.5	32%	0.318	29%	0.292	S	S	.	.	H	α-helix	trans	-69.5	-40.7	-179	-62.5	172	0	0	0	110.5	P35 C63 S67 K68 K69	P35-I65 HydrophobicContact CG-CD1 3.8Å; C63-I65 HydrophobicContact CB-CD1 4.08Å; C63-I65 HydrophobicContact CB-CG1 4.05Å; C63-I65 PolarHBondContact O-N 3.18Å; C63-I65 VanDerWaalsContact O-N 3.07Å; I65-S67 VanDerWaalsContact C-N 3.34Å; I65-S67 PolarHBondContact O-N 3.35Å; I65-K68 PolarHBondContact O-N 3.41Å; I65-K69 HydrophobicContact CG2-CG 3.99Å; I65-K69 VanDerWaalsContact O-CB 3.28Å; I65-K69 WeakPolarHBondContact O-CB 3.47Å; I65-K69 VanDerWaalsContact O-CG 3.31Å; I65-K69 WeakPolarHBondContact O-CG 3.37Å; I65-K69 PolarHBondContact O-N 3.2Å
66	C	86.5	Confident	83.3	Confident	4 Å²	4	59 Å²	59	3%	0.027	31%	0.311	C	S	.	.	H	α-helix	trans	-68	-31.4	-179.2	57.2	0	0	0	0	113.1	C30 I44 C70 I75 I77	C30-C66 HydrophobicContact CB-CB 3.89Å; I44-C66 HydrophobicContact CD1-CB 3.73Å; C66-C70 WeakPolarHBondContact O-CB 3.45Å; C66-C70 PolarHBondContact O-N 3.07Å; C66-I75 HydrophobicContact CB-CD1 4.38Å; C66-I77 WeakPolarHBondContact SG-CD1 3.34Å
67	S	84.7	Confident	83.1	Confident	31 Å²	31	59.7 Å²	59.7	22%	0.217	31%	0.312	C	S	.	.	H	α-helix	trans	-68.1	-50.1	173	54.5	0	0	0	0	110.9	G64 I65 K69 C70 I75	G64-S67 PolarHBondContact O-OG 3.44Å; I65-S67 VanDerWaalsContact C-N 3.34Å; I65-S67 PolarHBondContact O-N 3.35Å; S67-K69 VanDerWaalsContact C-N 3.33Å; S67-K69 PolarHBondContact O-N 3.27Å; S67-C70 PolarHBondContact O-N 2.85Å; S67-I75 WeakPolarHBondContact CA-O 3.45Å; S67-I75 WeakPolarHBondContact CB-O 3.49Å
68	K	85.7	Confident	82.8	Confident	186 Å²	186	59.1 Å²	59.1	81%	0.809	31%	0.31	S	S	*	.	H	α-helix	trans	-64.6	-31.2	178.9	-68.6	-179	-179.3	-177.6	0	114.4	G64 I65	G64-K68 WeakPolarHBondContact O-CG 3.49Å; G64-K68 PolarHBondContact O-N 2.77Å; I65-K68 PolarHBondContact O-N 3.41Å
69	K	87	Confident	82.2	Confident	127 Å²	127	54.1 Å²	54.1	55%	0.552	29%	0.289	S	S	*	.	H	α-helix	trans	-90.3	-8.5	-179.8	-68.3	-65.6	-175	-175.5	0	113.4	E29 I65 S67 P71	E29-K69 WeakPolarHBondContact CB-O 3.41Å; I65-K69 HydrophobicContact CG2-CG 3.99Å; I65-K69 VanDerWaalsContact O-CB 3.28Å; I65-K69 WeakPolarHBondContact O-CB 3.47Å; I65-K69 VanDerWaalsContact O-CG 3.31Å; I65-K69 WeakPolarHBondContact O-CG 3.37Å; I65-K69 PolarHBondContact O-N 3.2Å; S67-K69 VanDerWaalsContact C-N 3.33Å; S67-K69 PolarHBondContact O-N 3.27Å; K69-P71 WeakPolarHBondContact O-CD 3.46Å
70	C	86.3	Confident	81.5	Confident	15 Å²	15	51.3 Å²	51.3	10%	0.101	28%	0.275	C	S	.	.			trans	-70.7	117.8	176.5	-173.3	0	0	0	0	109	C66 S67 F72 E73 A74	C66-C70 WeakPolarHBondContact O-CB 3.45Å; C66-C70 PolarHBondContact O-N 3.07Å; S67-C70 PolarHBondContact O-N 2.85Å; C70-F72 PolarHBondContact O-N 3.39Å; C70-F72 VanDerWaalsContact O-N 3.1Å; C70-E73 PolarHBondContact O-N 2.88Å; C70-E73 VanDerWaalsContact O-N 3.11Å; C70-A74 PolarHBondContact SG-N 3.18Å; C70-A74 VanDerWaalsContact SG-N 3.38Å
71	P	81.4	Confident	80.8	Confident	67 Å²	67	53.8 Å²	53.8	44%	0.435	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-15	-178.2	27.1	-35.1	0	0	0	113.4	C26 K69	C26-P71 HydrophobicContact CB-CG 3.73Å; K69-P71 WeakPolarHBondContact O-CD 3.46Å
72	F	82.6	Confident	79.8	Confident	64 Å²	64	51 Å²	51	28%	0.281	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	6.7	178.7	-57	-61.3	0	0	0	113.1	K20 K22 K25 C26 C70 A74	K20-F72 HydrophobicContact CB-CB 4.48Å; K20-F72 VanDerWaalsContact O-CB 3.25Å; K20-F72 WeakPolarHBondContact O-CB 3.4Å; K22-F72 HydrophobicContact CB-CD2 4.22Å; K22-F72 HydrophobicContact CB-CE2 3.83Å; K22-F72 HydrophobicContact CB-CZ 4.32Å; K25-F72 HydrophobicContact CB-CE2 4.05Å; K25-F72 HydrophobicContact CB-CZ 3.67Å; C26-F72 HydrophobicContact CB-CD2 4.35Å; C26-F72 HydrophobicContact CB-CE2 3.82Å; C70-F72 PolarHBondContact O-N 3.39Å; C70-F72 VanDerWaalsContact O-N 3.1Å; F72-A74 HydrophobicContact CB-CB 4.41Å; F72-A74 PolarHBondContact O-N 3.26Å
73	E	80.9	Confident	79.5	Confident	118 Å²	118	55.8 Å²	55.8	55%	0.551	30%	0.3	S	S	*	.			trans	48	34.1	-174	-57.1	-170.9	156	0	0	113.3	C70 I75	C70-E73 PolarHBondContact O-N 2.88Å; C70-E73 VanDerWaalsContact O-N 3.11Å; E73-I75 VanDerWaalsContact C-N 3.28Å; E73-I75 PolarHBondContact O-N 3.04Å
74	A	83.8	Confident	79.2	Confident	2 Å²	2	53.5 Å²	53.5	2%	0.017	29%	0.285	C	S	.	.			trans	-79.8	-12.5	-171.7	0	0	0	0	0	113.3	V16 S17 K20 C21 C70 F72	V16-A74 CarbonylContact C-O 3.59Å; V16-A74 WeakPolarHBondContact CA-O 3.48Å; S17-A74 PolarHBondContact N-O 2.75Å; K20-A74 HydrophobicContact CB-CB 3.65Å; C21-A74 HydrophobicContact CB-CB 3.82Å; C70-A74 PolarHBondContact SG-N 3.18Å; C70-A74 VanDerWaalsContact SG-N 3.38Å; F72-A74 HydrophobicContact CB-CB 4.41Å; F72-A74 PolarHBondContact O-N 3.26Å
75	I	84.4	Confident	78.9	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.3	-173.7	-57	174.7	0	0	0	109	I15 V16 C30 L55 C66 S67 E73 I77	I15-I75 WeakPolarHBondContact O-CA 3.42Å; V16-I75 HydrophobicContact CG2-CG1 4.39Å; C30-I75 HydrophobicContact CB-CD1 3.39Å; L55-I75 HydrophobicContact CD1-CD1 4.14Å; L55-I75 HydrophobicContact CD1-CG1 4.49Å; L55-I75 HydrophobicContact CD1-CG2 4.49Å; L55-I75 HydrophobicContact CD2-CG2 3.78Å; C66-I75 HydrophobicContact CB-CD1 4.38Å; S67-I75 WeakPolarHBondContact CA-O 3.45Å; S67-I75 WeakPolarHBondContact CB-O 3.49Å; E73-I75 VanDerWaalsContact C-N 3.28Å; E73-I75 PolarHBondContact O-N 3.04Å; I75-I77 HydrophobicContact CG2-CG1 4.49Å
76	S	80.3	Confident	78.6	Confident	56 Å²	56	63.6 Å²	63.6	39%	0.392	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.7	171.9	-63.4	0	0	0	0	109.2	A14 I15	A14-S76 CarbonylContact C-O 3.55Å; A14-S76 WeakPolarHBondContact CA-O 3.29Å; I15-S76 PolarHBondContact N-O 2.85Å; I15-S76 PolarHBondContact O-N 3.44Å
77	I	80.6	Confident	78.5	Confident	33 Å²	33	66.2 Å²	66.2	17%	0.169	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.4	170	-63.6	172.2	0	0	0	107.6	I13 C66 I75	I13-I77 WeakPolarHBondContact O-CA 3.3Å; C66-I77 WeakPolarHBondContact SG-CD1 3.34Å; I75-I77 HydrophobicContact CG2-CG1 4.49Å
78	I	76.2	Confident	78.6	Confident	28 Å²	28	65.5 Å²	65.5	14%	0.144	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.6	-179.4	-55.3	169	0	0	0	108.3	R12 I13 I15 V297 A300 Y301	R12-I78 WeakPolarHBondContact CA-O 3.2Å; I13-I78 PolarHBondContact N-O 2.81Å; I13-I78 PolarHBondContact O-N 2.9Å; I15-I78 HydrophobicContact CD1-CD1 3.87Å; I78-V297 HydrophobicContact CD1-CB 3.87Å; I78-V297 HydrophobicContact CD1-CG1 3.97Å; I78-V297 HydrophobicContact CD1-CG2 3.98Å; I78-A300 HydrophobicContact CD1-CB 3.47Å; I78-A300 VanDerWaalsContact CD1-CB 3.47Å; I78-Y301 HydrophobicContact CD1-CD1 4.17Å; I78-Y301 HydrophobicContact CD1-CE1 4.18Å; I78-Y301 HydrophobicContact CG2-CE1 3.91Å
79	N	70.7	Confident	78.9	Confident	84 Å²	84	56.7 Å²	56.7	45%	0.449	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118.6	169.2	-62	-36.7	0	0	0	107.7
80	L	69.3	Low	79.2	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	150.7	171.4	-78.7	-175.6	0	0	0	110.7	T11 I13 S82 L84 Y301	T11-L80 PolarHBondContact O-N 3.23Å; T11-L80 WeakPolarHBondContact OG1-CB 3.45Å; T11-L80 PolarHBondContact OG1-O 3.07Å; I13-L80 HydrophobicContact CD1-CD1 3.23Å; I13-L80 HydrophobicContact CD1-CD2 4.12Å; I13-L80 HydrophobicContact CD1-CG 3.64Å; I13-L80 HydrophobicContact CG1-CD1 3.54Å; I13-L80 HydrophobicContact CG1-CG 3.85Å; L80-S82 PolarHBondContact O-N 2.96Å; L80-L84 HydrophobicContact CD2-CD1 4.36Å; L80-Y301 HydrophobicContact CD2-CD1 3.94Å; L80-Y301 HydrophobicContact CD2-CD2 3.7Å; L80-Y301 HydrophobicContact CD2-CE1 3.77Å; L80-Y301 HydrophobicContact CD2-CE2 3.51Å; L80-Y301 HydrophobicContact CD2-CG 3.91Å
81	P	67.5	Low	79.4	Confident	59 Å²	59	51.4 Å²	51.4	38%	0.383	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-52.9	134.9	158.8	-23	31.1	0	0	0	111.2	T11 N83 L84	T11-P81 PolarHBondContact OG1-O 3.32Å; P81-N83 PolarHBondContact O-N 2.91Å; P81-L84 HydrophobicContact CB-CD1 4.4Å; P81-L84 HydrophobicContact CB-CG 4.44Å; P81-L84 HydrophobicContact CG-CD1 4.1Å; P81-L84 PolarHBondContact O-N 3.3Å
82	S	63.4	Low	79.7	Confident	36 Å²	36	53.6 Å²	53.6	25%	0.252	27%	0.267	S	S	.	.	H	α-helix	trans	-56.2	-32.9	178.9	51.6	0	0	0	0	112.8	L80 L84 E85	L80-S82 PolarHBondContact O-N 2.96Å; S82-L84 VanDerWaalsContact C-N 3.31Å; S82-L84 PolarHBondContact O-N 3.09Å; S82-E85 PolarHBondContact O-N 3.23Å
83	N	69.9	Low	79.9	Confident	122 Å²	122	51 Å²	51	65%	0.652	26%	0.258	S	S	*	.	H	α-helix	trans	-62.9	-33	-179.6	-66	-20.8	0	0	0	113.5	P81 E85	P81-N83 PolarHBondContact O-N 2.91Å; N83-E85 VanDerWaalsContact C-N 3.34Å; N83-E85 PolarHBondContact O-N 2.83Å
84	L	75.6	Confident	80	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-76.3	-19.6	-175.3	-68.6	175.7	0	0	0	113.4	L80 P81 S82 K86 E87 H100 V303	L80-L84 HydrophobicContact CD2-CD1 4.36Å; P81-L84 HydrophobicContact CB-CD1 4.4Å; P81-L84 HydrophobicContact CB-CG 4.44Å; P81-L84 HydrophobicContact CG-CD1 4.1Å; P81-L84 PolarHBondContact O-N 3.3Å; S82-L84 VanDerWaalsContact C-N 3.31Å; S82-L84 PolarHBondContact O-N 3.09Å; L84-K86 VanDerWaalsContact C-N 3.27Å; L84-K86 PolarHBondContact O-N 2.83Å; L84-E87 PolarHBondContact O-N 2.92Å; L84-E87 VanDerWaalsContact O-N 3.07Å; L84-H100 PolarHBondContact O-CE1 3.27Å; L84-H100 PolarHBondContact O-ND1 2.88Å; L84-V303 HydrophobicContact CD1-CG2 3.77Å; L84-V303 HydrophobicContact CD2-CG1 3.79Å; L84-V303 HydrophobicContact CD2-CG2 4.14Å
85	E	73.6	Confident	80	Confident	113 Å²	113	48.7 Å²	48.7	53%	0.528	25%	0.253	S	S	.	.	H	α-helix	trans	-65.2	-33.7	-179.5	-175.3	174	-133.4	0	0	111.9	T11 S82 N83 E87 V88	T11-E85 HydrophobicContact CG2-CB 3.9Å; T11-E85 VanDerWaalsContact CG2-CD 3.47Å; T11-E85 HydrophobicContact CG2-CG 4.27Å; T11-E85 WeakPolarHBondContact CG2-OE2 3.47Å; S82-E85 PolarHBondContact O-N 3.23Å; N83-E85 VanDerWaalsContact C-N 3.34Å; N83-E85 PolarHBondContact O-N 2.83Å; E85-E87 PolarHBondContact O-N 3.27Å; E85-V88 WeakPolarHBondContact O-CG2 2.93Å
86	K	79.5	Confident	80.1	Confident	175 Å²	175	49.7 Å²	49.7	76%	0.761	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.8	175.9	-67.8	-180	179.9	175.7	0	113.1	L84 Y151	L84-K86 VanDerWaalsContact C-N 3.27Å; L84-K86 PolarHBondContact O-N 2.83Å; K86-Y151 WeakPolarHBondContact O-CE2 3.38Å; K86-Y151 PolarHBondContact O-OH 2.82Å
87	E	84.5	Confident	80.5	Confident	59 Å²	59	48.1 Å²	48.1	28%	0.276	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	17.6	-170.8	-62.4	-178.5	149.8	0	0	112.8	L84 E85 T89 H100 R101 Y151	L84-E87 PolarHBondContact O-N 2.92Å; L84-E87 VanDerWaalsContact O-N 3.07Å; E85-E87 PolarHBondContact O-N 3.27Å; E87-T89 PolarHBondContact O-N 2.71Å; E87-H100 CarbonylContact O-C 3.58Å; E87-H100 VanDerWaalsContact O-CA 3.28Å; E87-H100 WeakPolarHBondContact O-CA 3.33Å; E87-R101 HydrophobicContact CB-CG 4.07Å; E87-R101 PolarHBondContact O-N 2.85Å; E87-R101 IonicContact OE1-CZ 3.46Å; E87-R101 IonicContact OE1-NE 2.86Å; E87-R101 PolarHBondContact OE1-NE 3.22Å; E87-R101 IonicContact OE1-NH2 3.26Å; E87-R101 PolarHBondContact OE1-NH2 2.8Å; E87-R101 IonicContact OE2-CZ 3.82Å; E87-R101 IonicContact OE2-NE 3.16Å; E87-R101 PolarHBondContact OE2-NE 2.97Å; E87-R101 IonicContact OE2-NH2 3.52Å; E87-R101 PolarHBondContact OE2-NH2 2.79Å; E87-Y151 VanDerWaalsContact C-OH 3.28Å; E87-Y151 WeakPolarHBondContact CA-OH 3.45Å
88	V	88.7	Confident	80.9	Confident	16 Å²	16	47.4 Å²	47.4	10%	0.097	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	118	178.6	179.4	0	0	0	0	109.7	E85 H100 L136	E85-V88 WeakPolarHBondContact O-CG2 2.93Å; V88-H100 VanDerWaalsContact CG2-CE1 3.45Å; V88-H100 WeakPolarHBondContact CG2-CE1 3.21Å; V88-L136 VanDerWaalsContact O-CA 3.29Å; V88-L136 WeakPolarHBondContact O-CA 3.25Å
89	T	91.2	Very high	81.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-48.3	176.2	-56.5	0	0	0	0	111.3	E87 L99 R101 L102 I127 P134 N135 L136 F152	E87-T89 PolarHBondContact O-N 2.71Å; T89-L99 PolarHBondContact N-O 2.92Å; T89-R101 WeakPolarHBondContact OG1-CA 3.27Å; T89-R101 PolarHBondContact OG1-N 3.36Å; T89-R101 PolarHBondContact OG1-O 3.05Å; T89-L102 HydrophobicContact CG2-CD1 3.5Å; T89-L102 HydrophobicContact CG2-CD2 3.82Å; T89-L102 HydrophobicContact CG2-CG 3.43Å; T89-L102 VanDerWaalsContact CG2-CG 3.43Å; T89-I127 HydrophobicContact CG2-CD1 4.13Å; T89-P134 HydrophobicContact CG2-CB 3.93Å; T89-N135 PolarHBondContact O-N 2.78Å; T89-L136 WeakPolarHBondContact O-CA 3.46Å; T89-L136 PolarHBondContact O-N 3.08Å; T89-F152 HydrophobicContact CG2-CZ 4.48Å
90	H	92.9	Very high	82.7	Confident	10 Å²	10	42.1 Å²	42.1	5%	0.046	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	144.5	-172	-168.2	83.1	0	0	0	112.7	Y92 L99 I127 K133 N135	H90-Y92 AromaticContact NE2-CD1 3.59Å; H90-Y92 AromaticContact NE2-CE1 3.53Å; H90-Y92 AromaticContact NE2-CZ 3.99Å; H90-L99 HydrophobicContact CB-CB 4.43Å; H90-L99 PolarHBondContact N-O 2.68Å; H90-L99 PolarHBondContact O-N 3.24Å; H90-I127 HydrophobicContact CB-CD1 3.75Å; H90-K133 PolarHBondContact ND1-O 3.31Å; H90-N135 WeakPolarHBondContact CA-OD1 3.22Å
91	R	91.1	Very high	83.8	Confident	21 Å²	21	43.7 Å²	43.7	8%	0.079	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	128.4	174	-172.2	177.6	-173.4	166.3	15.9	109.8	E57 G93 K98 N135 F139	E57-R91 IonicContact OE1-CZ 3.93Å; E57-R91 IonicContact OE1-NH1 2.77Å; E57-R91 IonicContact OE1-NH2 3.8Å; E57-R91 PolarHBondContact OE1-NH2 2.97Å; E57-R91 IonicContact OE2-CZ 2.78Å; E57-R91 IonicContact OE2-NH1 2.95Å; E57-R91 PolarHBondContact OE2-NH1 3.04Å; E57-R91 IonicContact OE2-NH2 3.74Å; E57-R91 PolarHBondContact OE2-NH2 2.95Å; R91-G93 WeakPolarHBondContact CD-O 3.46Å; R91-G93 WeakPolarHBondContact CG-O 3.14Å; R91-G93 PolarHBondContact NE-O 3.11Å; R91-K98 HydrophobicContact CG-CG 4.18Å; R91-N135 PolarHBondContact N-OD1 3.15Å; R91-N135 PolarHBondContact O-ND2 3.13Å; R91-F139 HydrophobicContact CG-CD1 4.22Å
92	Y	87.6	Confident	85.1	Confident	113 Å²	113	41 Å²	41	44%	0.443	20%	0.202	S	C	.	.			trans	-74.2	-28.3	-178.2	-70.6	-73.1	0	0	0	113.7	H90 S96 S123 L132	H90-Y92 AromaticContact NE2-CD1 3.59Å; H90-Y92 AromaticContact NE2-CE1 3.53Å; H90-Y92 AromaticContact NE2-CZ 3.99Å; Y92-S96 PolarHBondContact N-OG 3.44Å; Y92-S123 WeakPolarHBondContact OH-CB 3.28Å; Y92-S123 PolarHBondContact OH-OG 2.98Å; Y92-L132 HydrophobicContact CE1-CD2 4.03Å
93	G	86	Confident	86.5	Confident	10 Å²	10	39.3 Å²	39.3	10%	0.103	19%	0.19	C	C	.	.	S	Bend	trans	-178.6	-173.8	-179.1	0	0	0	0	0	113.7	R91 S96	R91-G93 WeakPolarHBondContact CD-O 3.46Å; R91-G93 WeakPolarHBondContact CG-O 3.14Å; R91-G93 PolarHBondContact NE-O 3.11Å; G93-S96 PolarHBondContact N-OG 3.1Å; G93-S96 PolarHBondContact O-N 3.14Å; G93-S96 PolarHBondContact O-OG 3.29Å
94	P	83	Confident	87.6	Confident	63 Å²	63	35.2 Å²	35.2	41%	0.409	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	141.1	173.9	28.6	-31.6	0	0	0	110.1	F54 S96 F139	F54-P94 HydrophobicContact CD2-CB 3.84Å; F54-P94 HydrophobicContact CD2-CG 4.34Å; F54-P94 HydrophobicContact CE2-CB 3.54Å; F54-P94 HydrophobicContact CE2-CG 4.35Å; P94-S96 PolarHBondContact O-N 2.95Å; P94-F139 HydrophobicContact CB-CE2 4.25Å; P94-F139 HydrophobicContact CB-CZ 3.87Å; P94-F139 VanDerWaalsContact CD-CE2 3.5Å; P94-F139 HydrophobicContact CG-CE2 4.23Å; P94-F139 HydrophobicContact CG-CZ 4.34Å
95	N	83.4	Confident	88.4	Confident	9 Å²	9	35.3 Å²	35.3	5%	0.048	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	20.9	-179.8	-52.2	110.2	0	0	0	115.5	A14 I15 V16 F54 L55	A14-N95 WeakPolarHBondContact O-CA 3.43Å; A14-N95 WeakPolarHBondContact O-CB 3.48Å; A14-N95 PolarHBondContact O-ND2 3.18Å; I15-N95 WeakPolarHBondContact CA-O 3.31Å; V16-N95 HydrophobicContact CB-CB 4.35Å; V16-N95 HydrophobicContact CG2-CB 3.99Å; V16-N95 PolarHBondContact N-O 3.48Å; V16-N95 VanDerWaalsContact N-O 3.14Å; F54-N95 WeakPolarHBondContact CD2-OD1 3.35Å; L55-N95 PolarHBondContact N-OD1 3.42Å; L55-N95 PolarHBondContact O-ND2 3.37Å; L55-N95 PolarHBondContact O-OD1 3.3Å
96	S	86.8	Confident	89.4	Confident	25 Å²	25	34.8 Å²	34.8	18%	0.175	16%	0.162	C	C	.	.	S	Bend	trans	-95	173.3	175.2	80.4	0	0	0	0	111.9	Y92 G93 P94	Y92-S96 PolarHBondContact N-OG 3.44Å; G93-S96 PolarHBondContact N-OG 3.1Å; G93-S96 PolarHBondContact O-N 3.14Å; G93-S96 PolarHBondContact O-OG 3.29Å; P94-S96 PolarHBondContact O-N 2.95Å
97	F	88.7	Confident	90	Very high	24 Å²	24	29.2 Å²	29.2	11%	0.105	14%	0.143	C	C	.	.			trans	-46.8	134.9	168	-177.6	-96.1	0	0	0	112.9	L99 G118 I119 A300 G302	F97-L99 HydrophobicContact CE1-CB 3.98Å; F97-L99 HydrophobicContact CE1-CD1 4.38Å; F97-G118 WeakPolarHBondContact CE2-O 3.47Å; F97-I119 VanDerWaalsContact CZ-C 3.41Å; F97-I119 VanDerWaalsContact CZ-O 3.32Å; F97-I119 WeakPolarHBondContact CZ-O 3.45Å; F97-A300 VanDerWaalsContact CA-O 3.3Å; F97-A300 WeakPolarHBondContact CA-O 3.08Å; F97-G302 VanDerWaalsContact CZ-N 3.32Å
98	K	90.4	Very high	90.5	Very high	17 Å²	17	27.5 Å²	27.5	7%	0.074	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.2	172.5	-64.3	-172.7	-173.3	176.1	0	110.7	I13 E57 R91 A300 Y301 G302	I13-K98 HydrophobicContact CD1-CB 4.35Å; I13-K98 HydrophobicContact CD1-CD 3.77Å; I13-K98 HydrophobicContact CD1-CG 4.29Å; I13-K98 HydrophobicContact CG1-CD 3.95Å; I13-K98 HydrophobicContact CG2-CD 4.44Å; E57-K98 IonicContact OE1-NZ 3.54Å; E57-K98 IonicContact OE2-NZ 3.4Å; E57-K98 PolarHBondContact OE2-NZ 2.92Å; R91-K98 HydrophobicContact CG-CG 4.18Å; K98-A300 PolarHBondContact N-O 2.85Å; K98-Y301 CarbonylContact O-C 3.56Å; K98-Y301 WeakPolarHBondContact O-CA 3.27Å; K98-Y301 WeakPolarHBondContact O-CB 3.34Å; K98-G302 PolarHBondContact O-N 2.91Å
99	L	93	Very high	90.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.4	171.2	-175.4	62.3	0	0	0	109.6	T89 H90 F97 L102 A124 I127 V304	T89-L99 PolarHBondContact N-O 2.92Å; H90-L99 HydrophobicContact CB-CB 4.43Å; H90-L99 PolarHBondContact N-O 2.68Å; H90-L99 PolarHBondContact O-N 3.24Å; F97-L99 HydrophobicContact CE1-CB 3.98Å; F97-L99 HydrophobicContact CE1-CD1 4.38Å; L99-L102 HydrophobicContact CD2-CD2 3.96Å; L99-A124 HydrophobicContact CD2-CB 4.28Å; L99-I127 HydrophobicContact CD2-CD1 3.86Å; L99-V304 HydrophobicContact CD1-CG2 4.3Å
100	H	91.7	Very high	91.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.7	176.4	-59.4	-95.7	0	0	0	110	L84 E87 V88 G302 V303 V304	L84-H100 PolarHBondContact O-CE1 3.27Å; L84-H100 PolarHBondContact O-ND1 2.88Å; E87-H100 CarbonylContact O-C 3.58Å; E87-H100 VanDerWaalsContact O-CA 3.28Å; E87-H100 WeakPolarHBondContact O-CA 3.33Å; V88-H100 VanDerWaalsContact CG2-CE1 3.45Å; V88-H100 WeakPolarHBondContact CG2-CE1 3.21Å; H100-G302 PolarHBondContact N-O 2.82Å; H100-V303 HydrophobicContact CB-CB 4.35Å; H100-V303 HydrophobicContact CB-CG1 4.23Å; H100-V303 HydrophobicContact CB-CG2 4.04Å; H100-V303 WeakPolarHBondContact O-CA 3.18Å; H100-V304 PolarHBondContact O-N 3.1Å; H100-V304 VanDerWaalsContact O-N 3.08Å
101	R	91.6	Very high	91.3	Very high	39 Å²	39	29.3 Å²	29.3	15%	0.147	15%	0.149	C	C	.	.	S	Bend	trans	58.9	178.7	-173.2	-54.8	174.6	-177.8	165.3	8.5	112.8	E87 T89 V304 E325	E87-R101 HydrophobicContact CB-CG 4.07Å; E87-R101 PolarHBondContact O-N 2.85Å; E87-R101 IonicContact OE1-CZ 3.46Å; E87-R101 IonicContact OE1-NE 2.86Å; E87-R101 PolarHBondContact OE1-NE 3.22Å; E87-R101 IonicContact OE1-NH2 3.26Å; E87-R101 PolarHBondContact OE1-NH2 2.8Å; E87-R101 IonicContact OE2-CZ 3.82Å; E87-R101 IonicContact OE2-NE 3.16Å; E87-R101 PolarHBondContact OE2-NE 2.97Å; E87-R101 IonicContact OE2-NH2 3.52Å; E87-R101 PolarHBondContact OE2-NH2 2.79Å; T89-R101 WeakPolarHBondContact OG1-CA 3.27Å; T89-R101 PolarHBondContact OG1-N 3.36Å; T89-R101 PolarHBondContact OG1-O 3.05Å; R101-V304 HydrophobicContact CB-CB 4.25Å; R101-V304 WeakPolarHBondContact CD-O 3.33Å; R101-E325 IonicContact CZ-OE1 3.24Å; R101-E325 IonicContact CZ-OE2 3.46Å; R101-E325 VanDerWaalsContact NH1-CD 3.26Å; R101-E325 IonicContact NH1-OE1 2.83Å; R101-E325 PolarHBondContact NH1-OE1 3.31Å; R101-E325 IonicContact NH1-OE2 3.75Å; R101-E325 PolarHBondContact NH1-OE2 2.91Å; R101-E325 VanDerWaalsContact NH1-OE2 3.13Å; R101-E325 IonicContact NH2-OE1 2.7Å; R101-E325 IonicContact NH2-OE2 2.77Å; R101-E325 PolarHBondContact NH2-OE2 3.35Å
102	L	93.9	Very high	91.6	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	15%	0.145	C	C	.	.			trans	-140.1	152.6	174.6	-79.3	174.5	0	0	0	109.6	T89 L99 A124 I127 F152 L157 F161	T89-L102 HydrophobicContact CG2-CD1 3.5Å; T89-L102 HydrophobicContact CG2-CD2 3.82Å; T89-L102 HydrophobicContact CG2-CG 3.43Å; T89-L102 VanDerWaalsContact CG2-CG 3.43Å; L99-L102 HydrophobicContact CD2-CD2 3.96Å; L102-A124 HydrophobicContact CD2-CB 4.13Å; L102-I127 HydrophobicContact CD1-CG2 3.71Å; L102-I127 HydrophobicContact CD2-CB 4.31Å; L102-I127 HydrophobicContact CD2-CD1 4.09Å; L102-I127 HydrophobicContact CD2-CG2 4.24Å; L102-F152 HydrophobicContact CD1-CZ 4.26Å; L102-L157 HydrophobicContact CB-CD1 3.77Å; L102-L157 HydrophobicContact CB-CD2 4.4Å; L102-L157 HydrophobicContact CD1-CD1 4.49Å; L102-F161 HydrophobicContact CD1-CE2 4.16Å; L102-F161 HydrophobicContact CD1-CZ 3.74Å
103	P	94.4	Very high	92	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.			trans	-62.7	142.3	169.2	-11.9	26.1	0	0	0	110.1	P105 L111 L113 A124 L128 L157 V304	P103-P105 WeakPolarHBondContact O-CD 3.04Å; P103-L111 HydrophobicContact CB-CD2 3.67Å; P103-L113 HydrophobicContact CB-CD1 4.43Å; P103-L113 HydrophobicContact CB-CD2 3.6Å; P103-L113 HydrophobicContact CG-CD1 3.88Å; P103-L113 HydrophobicContact CG-CD2 3.73Å; P103-A124 HydrophobicContact CG-CB 4.09Å; P103-L128 HydrophobicContact CB-CD1 4.14Å; P103-L128 HydrophobicContact CG-CD1 4.08Å; P103-L157 WeakPolarHBondContact O-CD2 3.34Å; P103-V304 HydrophobicContact CB-CG1 4.24Å; P103-V304 HydrophobicContact CG-CG1 3.9Å; P103-V304 HydrophobicContact CG-CG2 4.5Å
104	M	91.9	Very high	92.5	Very high	36 Å²	36	22.4 Å²	22.4	18%	0.177	12%	0.119	C	C	.	.			trans	-108.7	89.3	-176.4	-55.7	-176.4	-163	0	0	109.6	L157 M306	M104-L157 HydrophobicContact CG-CD1 4.21Å; M104-L157 HydrophobicContact CG-CD2 4.4Å; M104-L157 HydrophobicContact CG-CG 4.02Å; M104-M306 HydrophobicContact CE-CE 3.69Å; M104-M306 HydrophobicContact CE-SD 3.44Å; M104-M306 WeakPolarHBondContact CE-SD 3.39Å; M104-M306 HydrophobicContact SD-CE 3.81Å; M104-M306 HydrophobicContact SD-SD 4.29Å
105	P	93.7	Very high	92.9	Very high	7 Å²	7	19.4 Å²	19.4	5%	0.045	10%	0.1	C	C	.	.			trans	-71.3	148.4	178.6	33.1	-37.7	0	0	0	110.9	P103 L111 L128 Y160 Y273 I275	P103-P105 WeakPolarHBondContact O-CD 3.04Å; P105-L111 HydrophobicContact CB-CD2 4.23Å; P105-L128 HydrophobicContact CG-CD2 4.5Å; P105-Y160 HydrophobicContact CG-CD2 3.83Å; P105-Y160 HydrophobicContact CG-CE2 3.64Å; P105-Y160 HydrophobicContact CG-CG 4.35Å; P105-Y273 HydrophobicContact CB-CD1 3.94Å; P105-Y273 HydrophobicContact CG-CD1 4.31Å; P105-I275 HydrophobicContact CB-CD1 3.93Å; P105-I275 HydrophobicContact CB-CG1 3.93Å; P105-I275 HydrophobicContact CG-CD1 4.11Å
106	R	93.6	Very high	93.2	Very high	101 Å²	101	19.9 Å²	19.9	38%	0.381	10%	0.103	S	C	.	.			trans	-121.1	147.9	176	-73.3	176.9	173.8	172.8	0.3	110.1	E109 Y273	R106-E109 HydrophobicContact CB-CB 4.37Å; R106-E109 HydrophobicContact CB-CG 4.43Å; R106-E109 WeakPolarHBondContact CB-OE2 3.43Å; R106-E109 WeakPolarHBondContact CD-OE2 3.46Å; R106-Y273 VanDerWaalsContact C-CD1 3.41Å; R106-Y273 WeakPolarHBondContact O-CD1 3.33Å
107	P	93	Very high	93.3	Very high	58 Å²	58	21.3 Å²	21.3	38%	0.377	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	140.5	178.7	29.9	-33.8	0	0	0	110.2	E109 N272 Y273	P107-E109 VanDerWaalsContact C-N 3.26Å; P107-E109 PolarHBondContact O-N 3.38Å; P107-N272 CarbonylContact C-O 3.56Å; P107-N272 VanDerWaalsContact CA-O 3.31Å; P107-N272 WeakPolarHBondContact CA-O 3.38Å; P107-Y273 HydrophobicContact CB-CE1 4.05Å; P107-Y273 HydrophobicContact CG-CE1 4.34Å
108	G	94.2	Very high	93.2	Very high	24 Å²	24	22.6 Å²	22.6	25%	0.247	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	12.1	-179.7	0	0	0	0	0	115.2	L268 E269 N272	G108-L268 WeakPolarHBondContact O-CD2 3.41Å; G108-E269 VanDerWaalsContact CA-O 3.27Å; G108-E269 WeakPolarHBondContact CA-O 3.21Å; G108-N272 PolarHBondContact N-O 3.41Å
109	E	95	Very high	93.3	Very high	58 Å²	58	21.8 Å²	21.8	27%	0.271	13%	0.125	S	C	.	.	S	Bend	trans	-129.1	147.3	178.2	-63.1	179.6	169	0	0	111.9	R106 P107 F290	R106-E109 HydrophobicContact CB-CB 4.37Å; R106-E109 HydrophobicContact CB-CG 4.43Å; R106-E109 WeakPolarHBondContact CB-OE2 3.43Å; R106-E109 WeakPolarHBondContact CD-OE2 3.46Å; P107-E109 VanDerWaalsContact C-N 3.26Å; P107-E109 PolarHBondContact O-N 3.38Å; E109-F290 HydrophobicContact CG-CE2 4.4Å; E109-F290 WeakPolarHBondContact OE1-CE2 3.14Å; E109-F290 VanDerWaalsContact OE2-CD2 3.24Å; E109-F290 WeakPolarHBondContact OE2-CD2 3.45Å; E109-F290 WeakPolarHBondContact OE2-CE2 3.37Å
110	V	96.8	Very high	93.2	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.2	172.7	-173.4	0	0	0	0	110.3	L268 V274 V276 L287 D289 F290	V110-L268 HydrophobicContact CG2-CD1 3.95Å; V110-L268 HydrophobicContact CG2-CD2 4.08Å; V110-V274 WeakPolarHBondContact CA-O 3.35Å; V110-V274 HydrophobicContact CG1-CB 4.39Å; V110-V274 HydrophobicContact CG1-CG1 4.05Å; V110-V274 HydrophobicContact CG2-CB 4.16Å; V110-V274 HydrophobicContact CG2-CG1 4.31Å; V110-V276 HydrophobicContact CG1-CG2 4.34Å; V110-L287 WeakPolarHBondContact CB-O 3.42Å; V110-L287 HydrophobicContact CG1-CD2 3.33Å; V110-L287 HydrophobicContact CG1-CG 4.16Å; V110-L287 WeakPolarHBondContact CG1-O 3.45Å; V110-D289 PolarHBondContact N-OD2 3.31Å; V110-D289 PolarHBondContact O-N 3.19Å; V110-F290 PolarHBondContact O-N 2.85Å
111	L	97.3	Very high	93.3	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	110.6	175.1	-176.4	65.4	0	0	0	111.1	P103 P105 L113 V274 I275 V276 F290 P307	P103-L111 HydrophobicContact CB-CD2 3.67Å; P105-L111 HydrophobicContact CB-CD2 4.23Å; L111-L113 HydrophobicContact CD2-CD2 4.18Å; L111-L113 HydrophobicContact CG-CD2 4.11Å; L111-V274 PolarHBondContact N-O 2.63Å; L111-I275 HydrophobicContact CB-CG1 4.43Å; L111-I275 WeakPolarHBondContact O-CA 3.49Å; L111-V276 PolarHBondContact O-N 2.93Å; L111-F290 HydrophobicContact CD1-CB 4.04Å; L111-P307 HydrophobicContact CD1-CB 4.27Å
112	G	97.5	Very high	93.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	134.9	173.6	0	0	0	0	0	112.7	V276 S288 F290 I291 C292	G112-V276 CarbonylContact C-O 3.55Å; G112-V276 WeakPolarHBondContact CA-O 3.14Å; G112-S288 WeakPolarHBondContact CA-OG 3.35Å; G112-F290 PolarHBondContact N-O 3.45Å; G112-I291 CarbonylContact O-C 3.59Å; G112-I291 VanDerWaalsContact O-CA 3.28Å; G112-I291 WeakPolarHBondContact O-CA 3.16Å; G112-C292 PolarHBondContact O-N 3.18Å
113	L	97.1	Very high	93.3	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.8	175.6	-53.5	-174.9	0	0	0	109.8	P103 L111 L125 I275 V276 V277 E278 C292 L294	P103-L113 HydrophobicContact CB-CD1 4.43Å; P103-L113 HydrophobicContact CB-CD2 3.6Å; P103-L113 HydrophobicContact CG-CD1 3.88Å; P103-L113 HydrophobicContact CG-CD2 3.73Å; L111-L113 HydrophobicContact CD2-CD2 4.18Å; L111-L113 HydrophobicContact CG-CD2 4.11Å; L113-L125 HydrophobicContact CD1-CD2 4.13Å; L113-I275 HydrophobicContact CD1-CG2 3.76Å; L113-I275 HydrophobicContact CG-CG2 4Å; L113-V276 PolarHBondContact N-O 2.94Å; L113-V277 HydrophobicContact CB-CG2 3.94Å; L113-V277 HydrophobicContact CD1-CG2 3.83Å; L113-V277 HydrophobicContact CG-CG2 4.31Å; L113-E278 PolarHBondContact O-N 3.01Å; L113-C292 WeakPolarHBondContact CA-O 3.29Å; L113-C292 HydrophobicContact CD2-CB 3.68Å; L113-L294 HydrophobicContact CB-CD1 4.17Å
114	V	94.7	Very high	93.3	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.2	176.8	66.7	0	0	0	0	110.7	L281 L284 I291 C292 C293 L294 F317	V114-L281 HydrophobicContact CG2-CD2 3.62Å; V114-L284 HydrophobicContact CB-CD2 3.78Å; V114-L284 HydrophobicContact CG1-CD2 4.43Å; V114-L284 HydrophobicContact CG2-CD2 4.25Å; V114-I291 HydrophobicContact CG1-CG2 3.87Å; V114-C292 PolarHBondContact N-O 2.87Å; V114-C292 VanDerWaalsContact N-O 3.09Å; V114-C293 HydrophobicContact CG1-CB 4.31Å; V114-C293 CarbonylContact O-C 3.45Å; V114-C293 WeakPolarHBondContact O-CA 3.38Å; V114-L294 PolarHBondContact O-N 3.39Å; V114-F317 HydrophobicContact CG1-CB 4.11Å; V114-F317 HydrophobicContact CG1-CD2 3.99Å; V114-F317 HydrophobicContact CG1-CG 3.98Å; V114-F317 HydrophobicContact CG2-CD1 4Å; V114-F317 HydrophobicContact CG2-CD2 4.12Å; V114-F317 HydrophobicContact CG2-CE1 4Å; V114-F317 HydrophobicContact CG2-CE2 4.13Å; V114-F317 HydrophobicContact CG2-CG 4.07Å; V114-F317 HydrophobicContact CG2-CZ 4.07Å
115	G	92.1	Very high	93.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.2	168.8	177.5	0	0	0	0	0	111.7	H279 L294	G115-H279 PolarHBondContact O-CE1 3.47Å; G115-L294 WeakPolarHBondContact CA-O 3.27Å
116	T	89.8	Confident	93.4	Very high	19 Å²	19	26.2 Å²	26.2	12%	0.117	15%	0.153	C	C	.	.			trans	-69.5	165.6	177.5	53.2	0	0	0	0	112	I119 E500	T116-I119 WeakPolarHBondContact O-CB 3.33Å; T116-I119 WeakPolarHBondContact O-CG2 3.41Å; T116-E500 HydrophobicContact CG2-CB 4.03Å
117	N	89	Confident	93.4	Very high	54 Å²	54	21.4 Å²	21.4	29%	0.289	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	144.6	175.2	-76.6	-24.1	0	0	0	112.1	I119 H279 P298 D498	N117-I119 VanDerWaalsContact C-N 3.27Å; N117-I119 PolarHBondContact O-N 3.32Å; N117-H279 PolarHBondContact OD1-NE2 2.97Å; N117-P298 WeakPolarHBondContact O-CB 3.25Å; N117-D498 PolarHBondContact N-OD2 3.4Å
118	G	87.1	Confident	93.4	Very high	51 Å²	51	18.6 Å²	18.6	53%	0.526	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	14.4	-179.4	0	0	0	0	0	115.1	F97 G299	F97-G118 WeakPolarHBondContact CE2-O 3.47Å; G118-G299 PolarHBondContact O-N 3.17Å
119	I	91.2	Very high	93.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-91.6	3.9	179.1	-152.1	63.3	0	0	0	114.3	F97 T116 N117 K121 L294 Y301 G302	F97-I119 VanDerWaalsContact CZ-C 3.41Å; F97-I119 VanDerWaalsContact CZ-O 3.32Å; F97-I119 WeakPolarHBondContact CZ-O 3.45Å; T116-I119 WeakPolarHBondContact O-CB 3.33Å; T116-I119 WeakPolarHBondContact O-CG2 3.41Å; N117-I119 VanDerWaalsContact C-N 3.27Å; N117-I119 PolarHBondContact O-N 3.32Å; I119-K121 HydrophobicContact CG2-CD 4.4Å; I119-K121 HydrophobicContact CG2-CG 3.88Å; I119-L294 HydrophobicContact CG1-CB 4.28Å; I119-L294 HydrophobicContact CG2-CB 3.53Å; I119-L294 HydrophobicContact CG2-CD2 4.13Å; I119-L294 HydrophobicContact CG2-CG 4.48Å; I119-Y301 VanDerWaalsContact CD1-O 3.29Å; I119-Y301 WeakPolarHBondContact CD1-O 3.44Å; I119-G302 WeakPolarHBondContact O-CA 3.36Å
120	G	92.1	Very high	93	Very high	7 Å²	7	17 Å²	17	7%	0.072	11%	0.114	C	C	.	.	S	Bend	trans	98.4	10.4	175.4	0	0	0	0	0	116.4	S123 A124	G120-S123 WeakPolarHBondContact O-CB 3.15Å; G120-S123 PolarHBondContact O-N 3.26Å; G120-A124 WeakPolarHBondContact O-CB 3.26Å; G120-A124 PolarHBondContact O-N 3.3Å
121	K	93.7	Very high	92.7	Very high	8 Å²	8	24 Å²	24	4%	0.035	15%	0.145	C	C	.	.	H	α-helix	trans	-52.5	-59.1	175.9	-59.6	175.5	-63.6	152.5	0	112.3	I119 S123 A124 L125 E247 V277 H279 L294	I119-K121 HydrophobicContact CG2-CD 4.4Å; I119-K121 HydrophobicContact CG2-CG 3.88Å; K121-S123 VanDerWaalsContact C-N 3.27Å; K121-S123 PolarHBondContact O-N 3.08Å; K121-A124 WeakPolarHBondContact O-CB 3.37Å; K121-A124 PolarHBondContact O-N 2.81Å; K121-A124 VanDerWaalsContact O-N 3.1Å; K121-L125 PolarHBondContact O-N 2.8Å; K121-E247 IonicContact NZ-OE1 3.05Å; K121-E247 PolarHBondContact NZ-OE1 3.37Å; K121-E247 VanDerWaalsContact NZ-OE1 3.08Å; K121-V277 HydrophobicContact CB-CG1 4.16Å; K121-V277 HydrophobicContact CB-CG2 4.22Å; K121-V277 HydrophobicContact CD-CG1 3.7Å; K121-V277 HydrophobicContact CG-CG1 4.4Å; K121-H279 PolarHBondContact NZ-CE1 2.77Å; K121-H279 PolarHBondContact NZ-NE2 2.89Å; K121-L294 HydrophobicContact CB-CD2 4.47Å; K121-L294 HydrophobicContact CG-CD1 4.33Å; K121-L294 HydrophobicContact CG-CD2 3.91Å
122	S	91.9	Very high	92.4	Very high	35 Å²	35	25.6 Å²	25.6	25%	0.245	15%	0.153	C	C	.	.	H	α-helix	trans	-67.9	-26.7	-179.9	-43.9	0	0	0	0	112.7	K126 D246	S122-K126 VanDerWaalsContact O-CG 3.32Å; S122-K126 WeakPolarHBondContact O-CG 3.17Å; S122-K126 PolarHBondContact O-N 2.91Å; S122-D246 PolarHBondContact OG-OD2 2.78Å
123	S	92.9	Very high	92.1	Very high	19 Å²	19	28.9 Å²	28.9	13%	0.133	17%	0.167	C	C	.	.	H	α-helix	trans	-66.9	-42.5	170.8	-64.1	0	0	0	0	111.4	Y92 G120 K121 K126 I127	Y92-S123 WeakPolarHBondContact OH-CB 3.28Å; Y92-S123 PolarHBondContact OH-OG 2.98Å; G120-S123 WeakPolarHBondContact O-CB 3.15Å; G120-S123 PolarHBondContact O-N 3.26Å; K121-S123 VanDerWaalsContact C-N 3.27Å; K121-S123 PolarHBondContact O-N 3.08Å; S123-K126 PolarHBondContact O-N 3.38Å; S123-I127 WeakPolarHBondContact O-CG1 3.3Å; S123-I127 PolarHBondContact O-N 3Å; S123-I127 VanDerWaalsContact O-N 3.15Å
124	A	94.7	Very high	91.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.4	-43.6	174.7	0	0	0	0	0	111.4	L99 L102 P103 G120 K121 K126 I127 L128	L99-A124 HydrophobicContact CD2-CB 4.28Å; L102-A124 HydrophobicContact CD2-CB 4.13Å; P103-A124 HydrophobicContact CG-CB 4.09Å; G120-A124 WeakPolarHBondContact O-CB 3.26Å; G120-A124 PolarHBondContact O-N 3.3Å; K121-A124 WeakPolarHBondContact O-CB 3.37Å; K121-A124 PolarHBondContact O-N 2.81Å; K121-A124 VanDerWaalsContact O-N 3.1Å; A124-K126 PolarHBondContact O-N 3.42Å; A124-I127 PolarHBondContact O-N 3.38Å; A124-L128 WeakPolarHBondContact O-CG 3.46Å; A124-L128 PolarHBondContact O-N 2.84Å
125	L	94.7	Very high	91.9	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-43.9	174.9	-67.6	-174.4	0	0	0	112.5	L113 K121 I127 L128 A129 M244 D246 I275 V277	L113-L125 HydrophobicContact CD1-CD2 4.13Å; K121-L125 PolarHBondContact O-N 2.8Å; L125-I127 VanDerWaalsContact C-N 3.26Å; L125-I127 PolarHBondContact O-N 2.88Å; L125-L128 PolarHBondContact O-N 3.21Å; L125-A129 VanDerWaalsContact O-CB 3.26Å; L125-A129 WeakPolarHBondContact O-CB 3.42Å; L125-A129 PolarHBondContact O-N 3.17Å; L125-M244 HydrophobicContact CB-SD 4.1Å; L125-M244 HydrophobicContact CD2-CB 4.45Å; L125-M244 HydrophobicContact CD2-CG 4.43Å; L125-M244 HydrophobicContact CD2-SD 3.91Å; L125-D246 HydrophobicContact CD1-CB 3.9Å; L125-I275 HydrophobicContact CD2-CB 4.35Å; L125-I275 HydrophobicContact CD2-CG2 3.6Å; L125-V277 HydrophobicContact CD1-CG2 3.67Å; L125-V277 HydrophobicContact CD2-CG2 4.21Å; L125-V277 HydrophobicContact CG-CG2 4.02Å
126	K	93.3	Very high	91.8	Very high	107 Å²	107	30.7 Å²	30.7	47%	0.465	18%	0.177	S	C	.	.	H	α-helix	trans	-61.4	-35.7	177.4	-73.6	173.6	-174.9	180	0	112.5	S122 S123 A124 K131 L132	S122-K126 VanDerWaalsContact O-CG 3.32Å; S122-K126 WeakPolarHBondContact O-CG 3.17Å; S122-K126 PolarHBondContact O-N 2.91Å; S123-K126 PolarHBondContact O-N 3.38Å; A124-K126 PolarHBondContact O-N 3.42Å; K126-K131 PolarHBondContact O-N 3.11Å; K126-L132 HydrophobicContact CB-CB 3.93Å; K126-L132 HydrophobicContact CB-CD2 4.41Å; K126-L132 PolarHBondContact O-N 3.41Å
127	I	93.7	Very high	91.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-71.3	-49.2	176.9	-65	164.2	0	0	0	110.5	T89 H90 L99 L102 S123 A124 L125 A129 G130 L132 P134 F161	T89-I127 HydrophobicContact CG2-CD1 4.13Å; H90-I127 HydrophobicContact CB-CD1 3.75Å; L99-I127 HydrophobicContact CD2-CD1 3.86Å; L102-I127 HydrophobicContact CD1-CG2 3.71Å; L102-I127 HydrophobicContact CD2-CB 4.31Å; L102-I127 HydrophobicContact CD2-CD1 4.09Å; L102-I127 HydrophobicContact CD2-CG2 4.24Å; S123-I127 WeakPolarHBondContact O-CG1 3.3Å; S123-I127 PolarHBondContact O-N 3Å; S123-I127 VanDerWaalsContact O-N 3.15Å; A124-I127 PolarHBondContact O-N 3.38Å; L125-I127 VanDerWaalsContact C-N 3.26Å; L125-I127 PolarHBondContact O-N 2.88Å; I127-A129 PolarHBondContact O-N 3.36Å; I127-G130 PolarHBondContact O-N 3.34Å; I127-L132 WeakPolarHBondContact CA-O 3.16Å; I127-L132 HydrophobicContact CD1-CD2 4.44Å; I127-L132 HydrophobicContact CG1-CB 4.03Å; I127-L132 HydrophobicContact CG1-CD2 3.93Å; I127-L132 HydrophobicContact CG1-CG 4.01Å; I127-P134 HydrophobicContact CG2-CB 4.23Å; I127-P134 HydrophobicContact CG2-CG 4.28Å; I127-F161 HydrophobicContact CG2-CE1 4.27Å; I127-F161 HydrophobicContact CG2-CZ 4.01Å
128	L	93.5	Very high	91.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-26.7	179.1	-69.1	176.2	0	0	0	112.2	P103 P105 A124 L125 G130 L157 Y160 I164 M244 I275	P103-L128 HydrophobicContact CB-CD1 4.14Å; P103-L128 HydrophobicContact CG-CD1 4.08Å; P105-L128 HydrophobicContact CG-CD2 4.5Å; A124-L128 WeakPolarHBondContact O-CG 3.46Å; A124-L128 PolarHBondContact O-N 2.84Å; L125-L128 PolarHBondContact O-N 3.21Å; L128-G130 VanDerWaalsContact C-N 3.3Å; L128-L157 HydrophobicContact CD2-CD2 4.18Å; L128-Y160 HydrophobicContact CB-CE1 4.26Å; L128-Y160 HydrophobicContact CD2-CD1 4.19Å; L128-Y160 HydrophobicContact CD2-CE1 3.7Å; L128-Y160 WeakPolarHBondContact O-CE1 3.38Å; L128-Y160 PolarHBondContact O-OH 3.02Å; L128-I164 VanDerWaalsContact O-CD1 3.31Å; L128-I164 WeakPolarHBondContact O-CD1 3.3Å; L128-M244 VanDerWaalsContact C-CE 3.41Å; L128-M244 HydrophobicContact CB-CE 3.63Å; L128-I275 HydrophobicContact CB-CD1 4.38Å; L128-I275 HydrophobicContact CD1-CD1 3.8Å
129	A	91.7	Very high	91.5	Very high	13 Å²	13	35 Å²	35	11%	0.107	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	3.2	176.1	0	0	0	0	0	114.1	L125 I127 K131 A171 I173 M244	L125-A129 VanDerWaalsContact O-CB 3.26Å; L125-A129 WeakPolarHBondContact O-CB 3.42Å; L125-A129 PolarHBondContact O-N 3.17Å; I127-A129 PolarHBondContact O-N 3.36Å; A129-K131 HydrophobicContact CB-CG 4.37Å; A129-K131 PolarHBondContact O-N 2.95Å; A129-K131 VanDerWaalsContact O-N 3.12Å; A129-A171 HydrophobicContact CB-CB 4.14Å; A129-I173 HydrophobicContact CB-CD1 3.35Å; A129-I173 HydrophobicContact CB-CG1 4.1Å; A129-M244 HydrophobicContact CB-CE 3.73Å; A129-M244 HydrophobicContact CB-SD 3.87Å
130	G	88.8	Confident	91.2	Very high	35 Å²	35	43.1 Å²	43.1	36%	0.361	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	0.6	-176.8	0	0	0	0	0	115.2	I127 L128 L132	I127-G130 PolarHBondContact O-N 3.34Å; L128-G130 VanDerWaalsContact C-N 3.3Å; G130-L132 VanDerWaalsContact C-N 3.28Å; G130-L132 PolarHBondContact O-N 3.5Å
131	K	89.5	Confident	91.1	Very high	148 Å²	148	49.2 Å²	49.2	64%	0.643	25%	0.245	S	C	*	.	S	Bend	trans	-73.6	-19.6	177.8	-65.6	-174.9	179.8	178.1	0	113.1	K126 A129 I173	K126-K131 PolarHBondContact O-N 3.11Å; A129-K131 HydrophobicContact CB-CG 4.37Å; A129-K131 PolarHBondContact O-N 2.95Å; A129-K131 VanDerWaalsContact O-N 3.12Å; K131-I173 HydrophobicContact CD-CD1 3.92Å
132	L	91.3	Very high	90.8	Very high	38 Å²	38	52.3 Å²	52.3	20%	0.199	27%	0.266	C	S	.	.	S	Bend	trans	-134.4	114.1	179.2	-176.6	61.7	0	0	0	110.1	Y92 K126 I127 G130	Y92-L132 HydrophobicContact CE1-CD2 4.03Å; K126-L132 HydrophobicContact CB-CB 3.93Å; K126-L132 HydrophobicContact CB-CD2 4.41Å; K126-L132 PolarHBondContact O-N 3.41Å; I127-L132 WeakPolarHBondContact CA-O 3.16Å; I127-L132 HydrophobicContact CD1-CD2 4.44Å; I127-L132 HydrophobicContact CG1-CB 4.03Å; I127-L132 HydrophobicContact CG1-CD2 3.93Å; I127-L132 HydrophobicContact CG1-CG 4.01Å; G130-L132 VanDerWaalsContact C-N 3.28Å; G130-L132 PolarHBondContact O-N 3.5Å
133	K	92.1	Very high	90.8	Very high	68 Å²	68	50.9 Å²	50.9	30%	0.296	26%	0.256	S	S	.	.			trans	-68.2	127.2	174.5	-168.7	-175.6	-172.4	-167.5	0	109.6	H90 P143 D144 W145 I148	H90-K133 PolarHBondContact ND1-O 3.31Å; K133-P143 WeakPolarHBondContact CE-O 3.48Å; K133-P143 PolarHBondContact NZ-O 3.08Å; K133-D144 IonicContact NZ-OD1 2.81Å; K133-D144 PolarHBondContact NZ-OD1 3.14Å; K133-W145 HydrophobicContact CB-CZ2 4.45Å; K133-W145 HydrophobicContact CG-CZ2 4.02Å; K133-I148 HydrophobicContact CD-CD1 4.23Å; K133-I148 HydrophobicContact CG-CD1 3.73Å
134	P	93	Very high	90.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.275	C	S	.	.			trans	-64.2	139.7	173.1	28	-31.7	0	0	0	108.9	T89 I127 W145 I148	T89-P134 HydrophobicContact CG2-CB 3.93Å; I127-P134 HydrophobicContact CG2-CB 4.23Å; I127-P134 HydrophobicContact CG2-CG 4.28Å; P134-W145 HydrophobicContact CG-CZ3 4.45Å; P134-I148 HydrophobicContact CG-CD1 4Å; P134-I148 HydrophobicContact CG-CG1 4.32Å; P134-I148 HydrophobicContact CG-CG2 3.67Å; P134-I148 VanDerWaalsContact O-CD1 3.22Å; P134-I148 WeakPolarHBondContact O-CD1 3.37Å
135	N	93	Very high	90.5	Very high	13 Å²	13	57.7 Å²	57.7	7%	0.07	29%	0.286	C	S	.	.			trans	-114.9	5.2	-175.1	68.7	7.7	0	0	0	113.6	T89 H90 R91 G137 R138 P142 P143	T89-N135 PolarHBondContact O-N 2.78Å; H90-N135 WeakPolarHBondContact CA-OD1 3.22Å; R91-N135 PolarHBondContact N-OD1 3.15Å; R91-N135 PolarHBondContact O-ND2 3.13Å; N135-G137 PolarHBondContact O-N 3.13Å; N135-G137 VanDerWaalsContact O-N 3.07Å; N135-G137 PolarHBondContact OD1-N 2.72Å; N135-R138 WeakPolarHBondContact O-CA 3.44Å; N135-R138 WeakPolarHBondContact O-CB 3.35Å; N135-R138 PolarHBondContact O-N 3.42Å; N135-P142 HydrophobicContact CB-CB 4.03Å; N135-P143 VanDerWaalsContact O-CD 3.27Å; N135-P143 WeakPolarHBondContact O-CD 3.09Å
136	L	90.6	Very high	90.2	Very high	26 Å²	26	62.2 Å²	62.2	14%	0.136	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	32.6	178.5	-51.4	-178.7	0	0	0	113.3	V88 T89 R138 P143 Y151 F152	V88-L136 VanDerWaalsContact O-CA 3.29Å; V88-L136 WeakPolarHBondContact O-CA 3.25Å; T89-L136 WeakPolarHBondContact O-CA 3.46Å; T89-L136 PolarHBondContact O-N 3.08Å; L136-R138 PolarHBondContact O-N 3.06Å; L136-P143 HydrophobicContact CB-CG 4.38Å; L136-P143 HydrophobicContact CD1-CG 4.11Å; L136-P143 HydrophobicContact CG-CG 4.08Å; L136-Y151 HydrophobicContact CD1-CD1 4.33Å; L136-Y151 HydrophobicContact CD1-CD2 3.95Å; L136-Y151 HydrophobicContact CD1-CG 3.74Å; L136-Y151 HydrophobicContact CD2-CD1 3.58Å; L136-Y151 HydrophobicContact CD2-CD2 4.25Å; L136-Y151 HydrophobicContact CD2-CE1 3.71Å; L136-Y151 HydrophobicContact CD2-CE2 4.35Å; L136-Y151 HydrophobicContact CD2-CG 3.85Å; L136-Y151 HydrophobicContact CG-CG 4.45Å; L136-F152 HydrophobicContact CD2-CE2 4.5Å
137	G	87	Confident	90.1	Very high	20 Å²	20	61.4 Å²	61.4	21%	0.206	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-9.7	-175.7	0	0	0	0	0	115.1	N135 F139	N135-G137 PolarHBondContact O-N 3.13Å; N135-G137 VanDerWaalsContact O-N 3.07Å; N135-G137 PolarHBondContact OD1-N 2.72Å; G137-F139 WeakPolarHBondContact O-CD1 3.47Å; G137-F139 PolarHBondContact O-N 3.19Å
138	R	87.8	Confident	89.9	Confident	130 Å²	130	61.4 Å²	61.4	49%	0.491	31%	0.312	S	S	.	.			trans	-86.8	80.4	179	-52.6	-179	-172.9	164.3	4.6	110.7	N135 L136 N141 P142 E147	N135-R138 WeakPolarHBondContact O-CA 3.44Å; N135-R138 WeakPolarHBondContact O-CB 3.35Å; N135-R138 PolarHBondContact O-N 3.42Å; L136-R138 PolarHBondContact O-N 3.06Å; R138-N141 WeakPolarHBondContact CB-O 3.16Å; R138-N141 CarbonylContact O-C 3.52Å; R138-P142 VanDerWaalsContact O-CA 3.27Å; R138-P142 WeakPolarHBondContact O-CA 3.37Å; R138-E147 IonicContact CZ-OE2 3.86Å; R138-E147 IonicContact NH1-OE2 2.81Å; R138-E147 PolarHBondContact NH1-OE2 3.06Å
139	F	85	Confident	89.7	Confident	65 Å²	65	63.1 Å²	63.1	29%	0.285	32%	0.321	S	S	.	.	S	Bend	trans	-77.8	-20.3	-179.9	57.3	-92.6	0	0	0	114.5	R91 P94 G137	R91-F139 HydrophobicContact CG-CD1 4.22Å; P94-F139 HydrophobicContact CB-CE2 4.25Å; P94-F139 HydrophobicContact CB-CZ 3.87Å; P94-F139 VanDerWaalsContact CD-CE2 3.5Å; P94-F139 HydrophobicContact CG-CE2 4.23Å; P94-F139 HydrophobicContact CG-CZ 4.34Å; G137-F139 WeakPolarHBondContact O-CD1 3.47Å; G137-F139 PolarHBondContact O-N 3.19Å
140	K	85.9	Confident	89.7	Confident	170 Å²	170	66.8 Å²	66.8	74%	0.739	34%	0.342	S	S	*	.	S	Bend	trans	-79.8	-49.5	176.7	-66.4	-172.5	179.2	-179.1	0	112.1
141	N	88.3	Confident	89.7	Confident	135 Å²	135	69.4 Å²	69.4	72%	0.722	34%	0.342	S	S	*	.	S	Bend	trans	-122.6	83.4	177.8	-65.8	-10.5	0	0	0	108	R138	R138-N141 WeakPolarHBondContact CB-O 3.16Å; R138-N141 CarbonylContact O-C 3.52Å
142	P	88.9	Confident	89.6	Confident	72 Å²	72	63.1 Å²	63.1	47%	0.468	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-64.6	135.4	-179.2	26.3	-33.1	0	0	0	110.5	N135 R138	N135-P142 HydrophobicContact CB-CB 4.03Å; R138-P142 VanDerWaalsContact O-CA 3.27Å; R138-P142 WeakPolarHBondContact O-CA 3.37Å
143	P	90.3	Very high	89.5	Confident	5 Å²	5	70.6 Å²	70.6	3%	0.032	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-64.8	161.1	179	28.2	-36.2	0	0	0	112.1	K133 N135 L136 E147 I148	K133-P143 WeakPolarHBondContact CE-O 3.48Å; K133-P143 PolarHBondContact NZ-O 3.08Å; N135-P143 VanDerWaalsContact O-CD 3.27Å; N135-P143 WeakPolarHBondContact O-CD 3.09Å; L136-P143 HydrophobicContact CB-CG 4.38Å; L136-P143 HydrophobicContact CD1-CG 4.11Å; L136-P143 HydrophobicContact CG-CG 4.08Å; P143-E147 HydrophobicContact CB-CB 3.85Å; P143-I148 HydrophobicContact CB-CG1 4.42Å; P143-I148 HydrophobicContact CG-CD1 4.41Å; P143-I148 HydrophobicContact CG-CG1 4.01Å
144	D	91.3	Very high	89.2	Confident	99 Å²	99	71 Å²	71	53%	0.529	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-81.8	164.1	170.8	-75	-34.8	0	0	0	113.8	K133 T146 E147 I148	K133-D144 IonicContact NZ-OD1 2.81Å; K133-D144 PolarHBondContact NZ-OD1 3.14Å; D144-T146 PolarHBondContact O-N 3.4Å; D144-E147 PolarHBondContact O-N 3.44Å; D144-E147 VanDerWaalsContact O-N 3.09Å; D144-I148 WeakPolarHBondContact O-CG1 3.35Å; D144-I148 PolarHBondContact O-N 3.44Å
145	W	90	Very high	89	Confident	63 Å²	63	72.5 Å²	72.5	24%	0.239	37%	0.374	C	S	.	.	H	α-helix	trans	-58.8	-31.6	-179.2	-79.7	115.4	0	0	0	112.2	K133 P134 I148 L149 F161 L165	K133-W145 HydrophobicContact CB-CZ2 4.45Å; K133-W145 HydrophobicContact CG-CZ2 4.02Å; P134-W145 HydrophobicContact CG-CZ3 4.45Å; W145-I148 HydrophobicContact CD2-CD1 4.24Å; W145-I148 HydrophobicContact CE3-CB 4.22Å; W145-I148 HydrophobicContact CE3-CD1 4.03Å; W145-I148 HydrophobicContact CE3-CG2 3.98Å; W145-I148 HydrophobicContact CZ3-CG2 4.09Å; W145-I148 PolarHBondContact O-N 2.98Å; W145-L149 WeakPolarHBondContact O-CB 3.33Å; W145-L149 WeakPolarHBondContact O-CG 3.46Å; W145-L149 PolarHBondContact O-N 3.2Å; W145-F161 HydrophobicContact CH2-CD1 4.05Å; W145-F161 HydrophobicContact CH2-CE1 4.35Å; W145-F161 HydrophobicContact CZ3-CB 4.23Å; W145-F161 AromaticContact CZ3-CD1 3.76Å; W145-F161 HydrophobicContact CZ3-CD1 3.76Å; W145-F161 HydrophobicContact CZ3-CE1 4.27Å; W145-F161 AromaticContact CZ3-CG 3.98Å; W145-F161 HydrophobicContact CZ3-CG 3.98Å; W145-L165 HydrophobicContact CB-CD1 3.82Å; W145-L165 HydrophobicContact CD2-CD1 3.73Å; W145-L165 HydrophobicContact CD2-CD2 3.91Å; W145-L165 HydrophobicContact CD2-CG 4.33Å; W145-L165 HydrophobicContact CE3-CD1 3.79Å; W145-L165 HydrophobicContact CG-CD1 3.78Å; W145-L165 HydrophobicContact CG-CD2 4Å; W145-L165 HydrophobicContact CZ2-CD2 4.26Å
146	T	90	Very high	88.7	Confident	100 Å²	100	76.2 Å²	76.2	61%	0.613	39%	0.391	S	S	*	.	H	α-helix	trans	-59.5	-47	173.2	50.3	0	0	0	0	112.4	D144 T150	D144-T146 PolarHBondContact O-N 3.4Å; T146-T150 WeakPolarHBondContact O-CB 3.29Å; T146-T150 PolarHBondContact O-N 3.29Å; T146-T150 PolarHBondContact O-OG1 2.87Å
147	E	90.1	Very high	88.6	Confident	90 Å²	90	75.1 Å²	75.1	42%	0.421	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-40.8	174.9	-78.8	-173.4	-126.1	0	0	111.7	R138 P143 D144 T150 Y151	R138-E147 IonicContact CZ-OE2 3.86Å; R138-E147 IonicContact NH1-OE2 2.81Å; R138-E147 PolarHBondContact NH1-OE2 3.06Å; P143-E147 HydrophobicContact CB-CB 3.85Å; D144-E147 PolarHBondContact O-N 3.44Å; D144-E147 VanDerWaalsContact O-N 3.09Å; E147-T150 WeakPolarHBondContact O-CB 3.44Å; E147-T150 PolarHBondContact O-N 2.89Å; E147-Y151 WeakPolarHBondContact O-CB 3.4Å; E147-Y151 PolarHBondContact O-N 3.32Å
148	I	90.4	Very high	88.7	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-62.3	-46.7	178.2	-67	160.6	0	0	0	110.8	K133 P134 P143 D144 W145 T150 Y151 F152	K133-I148 HydrophobicContact CD-CD1 4.23Å; K133-I148 HydrophobicContact CG-CD1 3.73Å; P134-I148 HydrophobicContact CG-CD1 4Å; P134-I148 HydrophobicContact CG-CG1 4.32Å; P134-I148 HydrophobicContact CG-CG2 3.67Å; P134-I148 VanDerWaalsContact O-CD1 3.22Å; P134-I148 WeakPolarHBondContact O-CD1 3.37Å; P143-I148 HydrophobicContact CB-CG1 4.42Å; P143-I148 HydrophobicContact CG-CD1 4.41Å; P143-I148 HydrophobicContact CG-CG1 4.01Å; D144-I148 WeakPolarHBondContact O-CG1 3.35Å; D144-I148 PolarHBondContact O-N 3.44Å; W145-I148 HydrophobicContact CD2-CD1 4.24Å; W145-I148 HydrophobicContact CE3-CB 4.22Å; W145-I148 HydrophobicContact CE3-CD1 4.03Å; W145-I148 HydrophobicContact CE3-CG2 3.98Å; W145-I148 HydrophobicContact CZ3-CG2 4.09Å; W145-I148 PolarHBondContact O-N 2.98Å; I148-T150 VanDerWaalsContact C-N 3.29Å; I148-T150 PolarHBondContact O-N 3.38Å; I148-Y151 WeakPolarHBondContact O-CB 3.47Å; I148-Y151 PolarHBondContact O-N 3Å; I148-F152 HydrophobicContact CG2-CD2 3.92Å; I148-F152 HydrophobicContact CG2-CE2 3.96Å; I148-F152 VanDerWaalsContact O-CD2 3.26Å; I148-F152 WeakPolarHBondContact O-CD2 3.36Å; I148-F152 PolarHBondContact O-N 3.05Å; I148-F152 VanDerWaalsContact O-N 3.08Å
149	L	89.9	Confident	88.8	Confident	35 Å²	35	74.8 Å²	74.8	18%	0.183	39%	0.387	C	S	.	.	H	α-helix	trans	-63.9	-36.7	176.7	-69.9	172.8	0	0	0	111.5	W145 Y151 F152 R153 Q158 F161 L165	W145-L149 WeakPolarHBondContact O-CB 3.33Å; W145-L149 WeakPolarHBondContact O-CG 3.46Å; W145-L149 PolarHBondContact O-N 3.2Å; L149-Y151 VanDerWaalsContact C-N 3.33Å; L149-F152 CarbonylContact O-C 3.59Å; L149-F152 PolarHBondContact O-N 2.8Å; L149-R153 PolarHBondContact O-N 3.33Å; L149-Q158 HydrophobicContact CD2-CG 4.37Å; L149-F161 HydrophobicContact CD2-CB 3.69Å; L149-L165 HydrophobicContact CD1-CD1 4.2Å
150	T	90.2	Very high	89.1	Confident	91 Å²	91	71.9 Å²	71.9	56%	0.558	37%	0.374	S	S	*	.	H	α-helix	trans	-65.1	-37.8	174.4	-56.7	0	0	0	0	111.7	T146 E147 I148 R153	T146-T150 WeakPolarHBondContact O-CB 3.29Å; T146-T150 PolarHBondContact O-N 3.29Å; T146-T150 PolarHBondContact O-OG1 2.87Å; E147-T150 WeakPolarHBondContact O-CB 3.44Å; E147-T150 PolarHBondContact O-N 2.89Å; I148-T150 VanDerWaalsContact C-N 3.29Å; I148-T150 PolarHBondContact O-N 3.38Å; T150-R153 WeakPolarHBondContact O-CB 3.41Å; T150-R153 PolarHBondContact O-N 3.45Å
151	Y	88.9	Confident	89.4	Confident	89 Å²	89	63.8 Å²	63.8	35%	0.349	34%	0.339	S	S	.	.	H	α-helix	trans	-65.8	-39.8	176.6	174.3	-89.9	0	0	0	112.2	K86 E87 L136 E147 I148 L149 R153	K86-Y151 WeakPolarHBondContact O-CE2 3.38Å; K86-Y151 PolarHBondContact O-OH 2.82Å; E87-Y151 VanDerWaalsContact C-OH 3.28Å; E87-Y151 WeakPolarHBondContact CA-OH 3.45Å; L136-Y151 HydrophobicContact CD1-CD1 4.33Å; L136-Y151 HydrophobicContact CD1-CD2 3.95Å; L136-Y151 HydrophobicContact CD1-CG 3.74Å; L136-Y151 HydrophobicContact CD2-CD1 3.58Å; L136-Y151 HydrophobicContact CD2-CD2 4.25Å; L136-Y151 HydrophobicContact CD2-CE1 3.71Å; L136-Y151 HydrophobicContact CD2-CE2 4.35Å; L136-Y151 HydrophobicContact CD2-CG 3.85Å; L136-Y151 HydrophobicContact CG-CG 4.45Å; E147-Y151 WeakPolarHBondContact O-CB 3.4Å; E147-Y151 PolarHBondContact O-N 3.32Å; I148-Y151 WeakPolarHBondContact O-CB 3.47Å; I148-Y151 PolarHBondContact O-N 3Å; L149-Y151 VanDerWaalsContact C-N 3.33Å; Y151-R153 PolarHBondContact O-N 2.81Å
152	F	88.9	Confident	89.5	Confident	17 Å²	17	58.8 Å²	58.8	8%	0.075	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	12.1	176.9	-70.3	-65.5	0	0	0	113.8	T89 L102 L136 I148 L149 G154 S155 L157 Q158 F161	T89-F152 HydrophobicContact CG2-CZ 4.48Å; L102-F152 HydrophobicContact CD1-CZ 4.26Å; L136-F152 HydrophobicContact CD2-CE2 4.5Å; I148-F152 HydrophobicContact CG2-CD2 3.92Å; I148-F152 HydrophobicContact CG2-CE2 3.96Å; I148-F152 VanDerWaalsContact O-CD2 3.26Å; I148-F152 WeakPolarHBondContact O-CD2 3.36Å; I148-F152 PolarHBondContact O-N 3.05Å; I148-F152 VanDerWaalsContact O-N 3.08Å; L149-F152 CarbonylContact O-C 3.59Å; L149-F152 PolarHBondContact O-N 2.8Å; F152-G154 PolarHBondContact O-N 2.8Å; F152-S155 WeakPolarHBondContact O-CB 3.29Å; F152-S155 PolarHBondContact O-N 3.3Å; F152-S155 PolarHBondContact O-OG 3.05Å; F152-L157 HydrophobicContact CB-CB 4.35Å; F152-L157 HydrophobicContact CD1-CB 4.02Å; F152-L157 HydrophobicContact CD1-CD1 3.84Å; F152-L157 HydrophobicContact CE1-CD1 3.7Å; F152-L157 HydrophobicContact CG-CB 4.16Å; F152-L157 HydrophobicContact CZ-CD1 4.44Å; F152-Q158 HydrophobicContact CB-CB 4.37Å; F152-Q158 WeakPolarHBondContact O-CB 3.48Å; F152-F161 HydrophobicContact CD2-CD2 4.04Å; F152-F161 AromaticContact CD2-CE2 3.86Å; F152-F161 HydrophobicContact CD2-CE2 3.86Å; F152-F161 HydrophobicContact CE2-CD2 4.39Å; F152-F161 AromaticContact CE2-CE2 3.77Å; F152-F161 HydrophobicContact CE2-CE2 3.77Å; F152-F161 HydrophobicContact CZ-CE2 4.4Å
153	R	88.2	Confident	89.5	Confident	195 Å²	195	59.2 Å²	59.2	74%	0.736	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	129.2	-171.9	-170.2	178.6	-162.5	170.8	5.9	112.5	L149 T150 Y151 S155 Q158	L149-R153 PolarHBondContact O-N 3.33Å; T150-R153 WeakPolarHBondContact O-CB 3.41Å; T150-R153 PolarHBondContact O-N 3.45Å; Y151-R153 PolarHBondContact O-N 2.81Å; R153-S155 VanDerWaalsContact C-N 3.3Å; R153-Q158 VanDerWaalsContact CA-OE1 3.3Å
154	G	86.6	Confident	89.4	Confident	76 Å²	76	60 Å²	60	78%	0.784	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	5.4	-179.3	0	0	0	0	0	114.7	F152	F152-G154 PolarHBondContact O-N 2.8Å
155	S	87	Confident	89.1	Confident	32 Å²	32	58.4 Å²	58.4	22%	0.224	30%	0.303	C	S	.	.	S	Bend	trans	-102.4	160	173.8	75.1	0	0	0	0	112	F152 R153 L157 Q158	F152-S155 WeakPolarHBondContact O-CB 3.29Å; F152-S155 PolarHBondContact O-N 3.3Å; F152-S155 PolarHBondContact O-OG 3.05Å; R153-S155 VanDerWaalsContact C-N 3.3Å; S155-L157 PolarHBondContact O-N 3.15Å; S155-L157 PolarHBondContact OG-N 3.07Å; S155-Q158 WeakPolarHBondContact O-CB 3.32Å; S155-Q158 PolarHBondContact O-N 3.1Å
156	E	86.8	Confident	89	Confident	91 Å²	91	62.3 Å²	62.3	43%	0.425	32%	0.323	S	S	.	.	H	α-helix	trans	-58	-29.4	172.7	-65.9	-63.9	170.8	0	0	112.6	Q158 N159 Y160	E156-Q158 VanDerWaalsContact C-N 3.28Å; E156-Q158 PolarHBondContact O-N 3.02Å; E156-N159 PolarHBondContact O-N 3.01Å; E156-Y160 WeakPolarHBondContact O-CB 3.09Å; E156-Y160 PolarHBondContact O-N 3.44Å
157	L	89.6	Confident	88.7	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-66.8	-29.9	177.6	-69.9	173.1	0	0	0	112.7	L102 P103 M104 L128 F152 S155 Y160 F161	L102-L157 HydrophobicContact CB-CD1 3.77Å; L102-L157 HydrophobicContact CB-CD2 4.4Å; L102-L157 HydrophobicContact CD1-CD1 4.49Å; P103-L157 WeakPolarHBondContact O-CD2 3.34Å; M104-L157 HydrophobicContact CG-CD1 4.21Å; M104-L157 HydrophobicContact CG-CD2 4.4Å; M104-L157 HydrophobicContact CG-CG 4.02Å; L128-L157 HydrophobicContact CD2-CD2 4.18Å; F152-L157 HydrophobicContact CB-CB 4.35Å; F152-L157 HydrophobicContact CD1-CB 4.02Å; F152-L157 HydrophobicContact CD1-CD1 3.84Å; F152-L157 HydrophobicContact CE1-CD1 3.7Å; F152-L157 HydrophobicContact CG-CB 4.16Å; F152-L157 HydrophobicContact CZ-CD1 4.44Å; S155-L157 PolarHBondContact O-N 3.15Å; S155-L157 PolarHBondContact OG-N 3.07Å; L157-Y160 PolarHBondContact O-N 2.94Å; L157-F161 HydrophobicContact CB-CD2 4.3Å; L157-F161 HydrophobicContact CB-CE2 4.18Å; L157-F161 WeakPolarHBondContact O-CB 3.46Å; L157-F161 WeakPolarHBondContact O-CD2 3.37Å; L157-F161 WeakPolarHBondContact O-CG 3.48Å; L157-F161 PolarHBondContact O-N 3.37Å
158	Q	89.7	Confident	88.4	Confident	53 Å²	53	64.4 Å²	64.4	25%	0.248	33%	0.334	C	S	.	.	H	α-helix	trans	-60.6	-52.5	173.7	-176.4	-174.4	3.7	0	0	109.6	L149 F152 R153 S155 E156 Y160 F161 T162	L149-Q158 HydrophobicContact CD2-CG 4.37Å; F152-Q158 HydrophobicContact CB-CB 4.37Å; F152-Q158 WeakPolarHBondContact O-CB 3.48Å; R153-Q158 VanDerWaalsContact CA-OE1 3.3Å; S155-Q158 WeakPolarHBondContact O-CB 3.32Å; S155-Q158 PolarHBondContact O-N 3.1Å; E156-Q158 VanDerWaalsContact C-N 3.28Å; E156-Q158 PolarHBondContact O-N 3.02Å; Q158-Y160 VanDerWaalsContact C-N 3.3Å; Q158-Y160 PolarHBondContact O-N 3.15Å; Q158-F161 PolarHBondContact O-N 3.34Å; Q158-T162 WeakPolarHBondContact O-CB 3.47Å; Q158-T162 PolarHBondContact O-N 3.19Å; Q158-T162 PolarHBondContact O-OG1 3.34Å
159	N	89.1	Confident	88.2	Confident	89 Å²	89	65.8 Å²	65.8	48%	0.476	34%	0.341	S	S	.	.	H	α-helix	trans	-59.6	-43.4	179	-64	-25.4	0	0	0	111.1	E156 T162 K163	E156-N159 PolarHBondContact O-N 3.01Å; N159-T162 PolarHBondContact O-N 3.23Å; N159-K163 WeakPolarHBondContact O-CG 3.44Å; N159-K163 PolarHBondContact O-N 2.84Å
160	Y	91.5	Very high	88.3	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-60.9	-49	178.1	-178.3	-98	0	0	0	112.6	P105 L128 E156 L157 Q158 K163 I164 I242 Y273	P105-Y160 HydrophobicContact CG-CD2 3.83Å; P105-Y160 HydrophobicContact CG-CE2 3.64Å; P105-Y160 HydrophobicContact CG-CG 4.35Å; L128-Y160 HydrophobicContact CB-CE1 4.26Å; L128-Y160 HydrophobicContact CD2-CD1 4.19Å; L128-Y160 HydrophobicContact CD2-CE1 3.7Å; L128-Y160 WeakPolarHBondContact O-CE1 3.38Å; L128-Y160 PolarHBondContact O-OH 3.02Å; E156-Y160 WeakPolarHBondContact O-CB 3.09Å; E156-Y160 PolarHBondContact O-N 3.44Å; L157-Y160 PolarHBondContact O-N 2.94Å; Q158-Y160 VanDerWaalsContact C-N 3.3Å; Q158-Y160 PolarHBondContact O-N 3.15Å; Y160-K163 PolarHBondContact O-N 2.96Å; Y160-I164 HydrophobicContact CD1-CD1 3.76Å; Y160-I164 HydrophobicContact CE1-CD1 3.19Å; Y160-I164 HydrophobicContact CE1-CG1 4.24Å; Y160-I164 HydrophobicContact CE2-CD1 4.5Å; Y160-I164 WeakPolarHBondContact O-CG1 3.41Å; Y160-I164 PolarHBondContact O-N 3.03Å; Y160-I242 HydrophobicContact CE2-CD1 4.08Å; Y160-I242 HydrophobicContact CE2-CG1 4.26Å; Y160-I242 VanDerWaalsContact OH-CD1 3.26Å; Y160-I242 WeakPolarHBondContact OH-CD1 3.36Å; Y160-Y273 HydrophobicContact CD2-CD1 4.21Å; Y160-Y273 AromaticContact CD2-CE1 3.92Å; Y160-Y273 HydrophobicContact CD2-CE1 3.92Å; Y160-Y273 HydrophobicContact CD2-CE2 4.4Å; Y160-Y273 HydrophobicContact CE2-CD1 4.12Å; Y160-Y273 HydrophobicContact CE2-CD2 4.2Å; Y160-Y273 HydrophobicContact CE2-CE1 4.26Å; Y160-Y273 HydrophobicContact CE2-CE2 4.38Å; Y160-Y273 HydrophobicContact CE2-CG 4.08Å
161	F	91.5	Very high	88.5	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-68.8	-36.1	178.3	-72.6	-51.1	0	0	0	112.7	L102 I127 W145 L149 F152 L157 Q158 K163 I164 L165	L102-F161 HydrophobicContact CD1-CE2 4.16Å; L102-F161 HydrophobicContact CD1-CZ 3.74Å; I127-F161 HydrophobicContact CG2-CE1 4.27Å; I127-F161 HydrophobicContact CG2-CZ 4.01Å; W145-F161 HydrophobicContact CH2-CD1 4.05Å; W145-F161 HydrophobicContact CH2-CE1 4.35Å; W145-F161 HydrophobicContact CZ3-CB 4.23Å; W145-F161 AromaticContact CZ3-CD1 3.76Å; W145-F161 HydrophobicContact CZ3-CD1 3.76Å; W145-F161 HydrophobicContact CZ3-CE1 4.27Å; W145-F161 AromaticContact CZ3-CG 3.98Å; W145-F161 HydrophobicContact CZ3-CG 3.98Å; L149-F161 HydrophobicContact CD2-CB 3.69Å; F152-F161 HydrophobicContact CD2-CD2 4.04Å; F152-F161 AromaticContact CD2-CE2 3.86Å; F152-F161 HydrophobicContact CD2-CE2 3.86Å; F152-F161 HydrophobicContact CE2-CD2 4.39Å; F152-F161 AromaticContact CE2-CE2 3.77Å; F152-F161 HydrophobicContact CE2-CE2 3.77Å; F152-F161 HydrophobicContact CZ-CE2 4.4Å; L157-F161 HydrophobicContact CB-CD2 4.3Å; L157-F161 HydrophobicContact CB-CE2 4.18Å; L157-F161 WeakPolarHBondContact O-CB 3.46Å; L157-F161 WeakPolarHBondContact O-CD2 3.37Å; L157-F161 WeakPolarHBondContact O-CG 3.48Å; L157-F161 PolarHBondContact O-N 3.37Å; Q158-F161 PolarHBondContact O-N 3.34Å; F161-K163 VanDerWaalsContact C-N 3.34Å; F161-I164 HydrophobicContact CD1-CD1 4.35Å; F161-I164 PolarHBondContact O-N 3.12Å; F161-L165 VanDerWaalsContact O-CG 3.29Å; F161-L165 WeakPolarHBondContact O-CG 3.47Å; F161-L165 PolarHBondContact O-N 3.35Å
162	T	89.9	Confident	88.7	Confident	31 Å²	31	62 Å²	62	19%	0.19	32%	0.321	C	S	.	.	H	α-helix	trans	-57.8	-47.9	172.2	-65.8	0	0	0	0	110.3	Q158 N159 I164 L165 E166	Q158-T162 WeakPolarHBondContact O-CB 3.47Å; Q158-T162 PolarHBondContact O-N 3.19Å; Q158-T162 PolarHBondContact O-OG1 3.34Å; N159-T162 PolarHBondContact O-N 3.23Å; T162-I164 PolarHBondContact O-N 3.23Å; T162-L165 PolarHBondContact O-N 3.25Å; T162-L165 VanDerWaalsContact O-N 3.15Å; T162-E166 HydrophobicContact CG2-CG 4.12Å; T162-E166 WeakPolarHBondContact CG2-OE2 3.5Å; T162-E166 WeakPolarHBondContact O-CB 3.36Å; T162-E166 WeakPolarHBondContact O-CG 3.17Å; T162-E166 PolarHBondContact O-N 3.36Å
163	K	88.8	Confident	89	Confident	81 Å²	81	63 Å²	63	35%	0.352	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-41.6	176.1	-69	-178.5	176.9	-177.1	0	113	N159 Y160 F161 L165 D167 L169 Y273	N159-K163 WeakPolarHBondContact O-CG 3.44Å; N159-K163 PolarHBondContact O-N 2.84Å; Y160-K163 PolarHBondContact O-N 2.96Å; F161-K163 VanDerWaalsContact C-N 3.34Å; K163-L165 PolarHBondContact O-N 2.84Å; K163-D167 WeakPolarHBondContact CG-OD2 3.26Å; K163-D167 WeakPolarHBondContact O-CA 3.46Å; K163-D167 VanDerWaalsContact O-CB 3.25Å; K163-D167 WeakPolarHBondContact O-CB 3.4Å; K163-D167 PolarHBondContact O-N 3.14Å; K163-L169 HydrophobicContact CB-CD1 3.71Å; K163-L169 HydrophobicContact CB-CG 4.16Å; K163-Y273 PolarHBondContact NZ-OH 2.79Å
164	I	88	Confident	89.3	Confident	22 Å²	22	53.8 Å²	53.8	11%	0.113	29%	0.292	C	S	.	.	H	α-helix	trans	-57.8	-39.7	175.7	-72.9	176.8	0	0	0	111.4	L128 Y160 F161 T162 L169 I242	L128-I164 VanDerWaalsContact O-CD1 3.31Å; L128-I164 WeakPolarHBondContact O-CD1 3.3Å; Y160-I164 HydrophobicContact CD1-CD1 3.76Å; Y160-I164 HydrophobicContact CE1-CD1 3.19Å; Y160-I164 HydrophobicContact CE1-CG1 4.24Å; Y160-I164 HydrophobicContact CE2-CD1 4.5Å; Y160-I164 WeakPolarHBondContact O-CG1 3.41Å; Y160-I164 PolarHBondContact O-N 3.03Å; F161-I164 HydrophobicContact CD1-CD1 4.35Å; F161-I164 PolarHBondContact O-N 3.12Å; T162-I164 PolarHBondContact O-N 3.23Å; I164-L169 HydrophobicContact CG1-CB 4.42Å; I164-L169 HydrophobicContact CG1-CD1 4.12Å; I164-I242 HydrophobicContact CD1-CD1 4.19Å; I164-I242 HydrophobicContact CG1-CD1 4.1Å
165	L	86.1	Confident	89.4	Confident	65 Å²	65	53.1 Å²	53.1	34%	0.34	27%	0.274	S	S	.	.	H	α-helix	trans	-82	-40.6	-176.6	-67.2	171	0	0	0	113.4	W145 L149 F161 T162 K163	W145-L165 HydrophobicContact CB-CD1 3.82Å; W145-L165 HydrophobicContact CD2-CD1 3.73Å; W145-L165 HydrophobicContact CD2-CD2 3.91Å; W145-L165 HydrophobicContact CD2-CG 4.33Å; W145-L165 HydrophobicContact CE3-CD1 3.79Å; W145-L165 HydrophobicContact CG-CD1 3.78Å; W145-L165 HydrophobicContact CG-CD2 4Å; W145-L165 HydrophobicContact CZ2-CD2 4.26Å; L149-L165 HydrophobicContact CD1-CD1 4.2Å; F161-L165 VanDerWaalsContact O-CG 3.29Å; F161-L165 WeakPolarHBondContact O-CG 3.47Å; F161-L165 PolarHBondContact O-N 3.35Å; T162-L165 PolarHBondContact O-N 3.25Å; T162-L165 VanDerWaalsContact O-N 3.15Å; K163-L165 PolarHBondContact O-N 2.84Å
166	E	88.2	Confident	89.3	Confident	144 Å²	144	53.9 Å²	53.9	67%	0.673	27%	0.274	S	S	*	.	H	α-helix	trans	-88.4	-45.5	-174.6	-66.6	-178.9	177.8	0	0	111.8	T162	T162-E166 HydrophobicContact CG2-CG 4.12Å; T162-E166 WeakPolarHBondContact CG2-OE2 3.5Å; T162-E166 WeakPolarHBondContact O-CB 3.36Å; T162-E166 WeakPolarHBondContact O-CG 3.17Å; T162-E166 PolarHBondContact O-N 3.36Å
167	D	82.8	Confident	89.2	Confident	101 Å²	101	56.2 Å²	56.2	54%	0.54	28%	0.28	S	S	.	.	S	Bend	trans	-89.3	-5.2	-176.2	-56.3	-34.5	0	0	0	112.8	K163 L169	K163-D167 WeakPolarHBondContact CG-OD2 3.26Å; K163-D167 WeakPolarHBondContact O-CA 3.46Å; K163-D167 VanDerWaalsContact O-CB 3.25Å; K163-D167 WeakPolarHBondContact O-CB 3.4Å; K163-D167 PolarHBondContact O-N 3.14Å; D167-L169 VanDerWaalsContact C-N 3.29Å; D167-L169 HydrophobicContact CB-CD2 3.93Å; D167-L169 HydrophobicContact CB-CG 4.39Å; D167-L169 PolarHBondContact O-N 2.93Å
168	N	83.6	Confident	88.9	Confident	133 Å²	133	56.1 Å²	56.1	71%	0.711	28%	0.28	S	S	*	.			trans	49.4	47.4	-174.6	-71.3	-56.2	0	0	0	112.9	R170	N168-R170 PolarHBondContact O-N 3.44Å
169	L	87.7	Confident	88.7	Confident	29 Å²	29	57.4 Å²	57.4	15%	0.152	29%	0.288	C	S	.	.			trans	-49.5	127.9	-178.4	-63.4	-175	0	0	0	111.9	K163 I164 D167 A171 D241 I242 Y273	K163-L169 HydrophobicContact CB-CD1 3.71Å; K163-L169 HydrophobicContact CB-CG 4.16Å; I164-L169 HydrophobicContact CG1-CB 4.42Å; I164-L169 HydrophobicContact CG1-CD1 4.12Å; D167-L169 VanDerWaalsContact C-N 3.29Å; D167-L169 HydrophobicContact CB-CD2 3.93Å; D167-L169 HydrophobicContact CB-CG 4.39Å; D167-L169 PolarHBondContact O-N 2.93Å; L169-A171 PolarHBondContact O-N 3.05Å; L169-D241 WeakPolarHBondContact CA-OD2 3.4Å; L169-D241 HydrophobicContact CB-CB 4.04Å; L169-D241 HydrophobicContact CD2-CB 3.8Å; L169-D241 HydrophobicContact CG-CB 4.35Å; L169-I242 HydrophobicContact CB-CD1 3.87Å; L169-I242 HydrophobicContact CD1-CD1 3.9Å; L169-I242 HydrophobicContact CD1-CG1 4.36Å; L169-Y273 HydrophobicContact CD1-CE2 4.29Å
170	R	92	Very high	88.5	Confident	93 Å²	93	57.9 Å²	57.9	35%	0.351	29%	0.288	S	S	.	.			trans	-78.8	115.1	177.3	-179.3	175.6	170.8	-172.8	0.3	109.3	N168 V172 D198 K239 A240 D241 I242	N168-R170 PolarHBondContact O-N 3.44Å; R170-V172 HydrophobicContact CG-CG2 4.41Å; R170-D198 IonicContact CZ-OD2 3.41Å; R170-D198 VanDerWaalsContact CZ-OD2 3.24Å; R170-D198 IonicContact NH1-OD2 3.06Å; R170-D198 PolarHBondContact NH1-OD2 2.9Å; R170-D198 IonicContact NH2-OD2 3.89Å; R170-D198 PolarHBondContact NH2-OD2 3.24Å; R170-K239 VanDerWaalsContact CD-O 3.32Å; R170-K239 WeakPolarHBondContact CD-O 3.41Å; R170-K239 VanDerWaalsContact CZ-O 3.3Å; R170-K239 PolarHBondContact NE-O 2.77Å; R170-K239 PolarHBondContact NH1-O 2.62Å; R170-A240 HydrophobicContact CG-CB 4.33Å; R170-A240 WeakPolarHBondContact O-CB 3.47Å; R170-D241 PolarHBondContact N-OD2 3.44Å; R170-D241 PolarHBondContact O-N 2.97Å; R170-I242 PolarHBondContact O-N 3.45Å; R170-I242 VanDerWaalsContact O-N 3.16Å
171	A	93	Very high	88.3	Confident	30 Å²	30	58.7 Å²	58.7	25%	0.248	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.2	173.9	0	0	0	0	0	112	A129 L169 I242	A129-A171 HydrophobicContact CB-CB 4.14Å; L169-A171 PolarHBondContact O-N 3.05Å; A171-I242 WeakPolarHBondContact CA-O 3.23Å; A171-I242 HydrophobicContact CB-CB 4.09Å; A171-I242 HydrophobicContact CB-CD1 4.33Å; A171-I242 HydrophobicContact CB-CG2 4.48Å
172	V	94.4	Very high	88.1	Confident	13 Å²	13	60.8 Å²	60.8	8%	0.079	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130	175.1	-178	0	0	0	0	109.1	R170 V235 Q238 A240 I242 M244	R170-V172 HydrophobicContact CG-CG2 4.41Å; V172-V235 HydrophobicContact CB-CG1 4.4Å; V172-V235 HydrophobicContact CG1-CB 4.13Å; V172-V235 HydrophobicContact CG1-CG1 3.8Å; V172-V235 HydrophobicContact CG1-CG2 3.83Å; V172-Q238 HydrophobicContact CG2-CB 4.28Å; V172-A240 HydrophobicContact CB-CB 4.08Å; V172-A240 HydrophobicContact CG2-CB 3.53Å; V172-I242 PolarHBondContact N-O 3.03Å; V172-M244 PolarHBondContact O-N 2.75Å
173	I	94.2	Very high	88	Confident	39 Å²	39	67.9 Å²	67.9	20%	0.2	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.1	-173.6	-47.7	177.4	0	0	0	109.8	A129 K131 M244	A129-I173 HydrophobicContact CB-CD1 3.35Å; A129-I173 HydrophobicContact CB-CG1 4.1Å; K131-I173 HydrophobicContact CD-CD1 3.92Å; I173-M244 WeakPolarHBondContact CA-O 3.25Å; I173-M244 HydrophobicContact CB-CB 4.37Å; I173-M244 HydrophobicContact CD1-SD 4.37Å; I173-M244 HydrophobicContact CG1-CB 4.17Å; I173-M244 HydrophobicContact CG1-CG 4.49Å; I173-M244 HydrophobicContact CG1-SD 4.24Å; I173-M244 HydrophobicContact CG2-CB 4.09Å
174	K	94.4	Very high	87.9	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	119.1	163.5	-179.2	-93	172.7	-164.1	0	108.5	Q176 A231 V235 M244 F245 D246 E247	K174-Q176 PolarHBondContact NZ-O 3.37Å; K174-A231 HydrophobicContact CG-CB 4.06Å; K174-V235 HydrophobicContact CB-CG2 3.82Å; K174-M244 PolarHBondContact N-O 2.7Å; K174-F245 HydrophobicContact CB-CD1 3.82Å; K174-F245 HydrophobicContact CB-CE1 4.37Å; K174-F245 HydrophobicContact CB-CG 4.49Å; K174-F245 HydrophobicContact CG-CD1 4.38Å; K174-D246 WeakPolarHBondContact CD-O 3.46Å; K174-D246 PolarHBondContact NZ-O 3.5Å; K174-D246 PolarHBondContact O-N 3.5Å; K174-E247 PolarHBondContact NZ-O 2.99Å
175	P	88.7	Confident	87.8	Confident	63 Å²	63	72 Å²	72	41%	0.409	36%	0.36	S	S	.	.			trans	-70.6	148.2	-178.8	29.6	-35	0	0	0	111.7	I181	P175-I181 HydrophobicContact CG-CD1 4.24Å; P175-I181 HydrophobicContact CG-CG1 4.38Å
176	Q	86.1	Confident	87.8	Confident	47 Å²	47	74 Å²	74	22%	0.22	38%	0.38	C	S	.	.	S	Bend	trans	-60.9	-52	176.8	-168.1	-176.7	11.5	0	0	111.8	K174 V178 D246 E247	K174-Q176 PolarHBondContact NZ-O 3.37Å; Q176-V178 PolarHBondContact O-N 2.68Å; Q176-D246 HydrophobicContact CB-CB 4.14Å; Q176-E247 PolarHBondContact NE2-OE1 3.18Å; Q176-E247 VanDerWaalsContact NE2-OE1 3.11Å; Q176-E247 PolarHBondContact NE2-OE2 3.39Å
177	Y	84.4	Confident	88	Confident	140 Å²	140	68.1 Å²	68.1	55%	0.549	36%	0.358	S	S	.	.			trans	-85.1	87	-175.9	-58.6	-69.9	0	0	0	112.7	D179 Q180	Y177-D179 PolarHBondContact O-N 3.01Å; Y177-Q180 PolarHBondContact O-N 3.3Å
178	V	83.7	Confident	88.5	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.006	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-68.1	-24.6	177.6	-63.9	0	0	0	0	113.5	Q176 Q180 I181 P182 L227 A231 Y251	Q176-V178 PolarHBondContact O-N 2.68Å; V178-Q180 PolarHBondContact O-N 3.37Å; V178-Q180 VanDerWaalsContact O-N 3.1Å; V178-I181 HydrophobicContact CB-CD1 3.91Å; V178-I181 HydrophobicContact CG1-CD1 3.89Å; V178-I181 VanDerWaalsContact O-CB 3.29Å; V178-I181 WeakPolarHBondContact O-CB 3.39Å; V178-I181 WeakPolarHBondContact O-CG1 3.49Å; V178-I181 PolarHBondContact O-N 2.84Å; V178-P182 WeakPolarHBondContact O-CD 3.31Å; V178-L227 HydrophobicContact CB-CB 4.39Å; V178-L227 HydrophobicContact CG2-CB 4.46Å; V178-A231 HydrophobicContact CG1-CB 3.92Å; V178-Y251 HydrophobicContact CG2-CD2 4.06Å; V178-Y251 HydrophobicContact CG2-CE2 3.88Å
179	D	83.9	Confident	88.9	Confident	81 Å²	81	60.8 Å²	60.8	43%	0.433	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-64	-16.1	176.2	-54.4	-51.3	0	0	0	113.2	Y177 Y251	Y177-D179 PolarHBondContact O-N 3.01Å; D179-Y251 PolarHBondContact OD2-OH 2.87Å
180	Q	85.1	Confident	89.1	Confident	99 Å²	99	64.3 Å²	64.3	46%	0.463	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-89	-15.4	175.2	-62.8	-177.3	4	0	0	112.8	Y177 V178 K183 I184	Y177-Q180 PolarHBondContact O-N 3.3Å; V178-Q180 PolarHBondContact O-N 3.37Å; V178-Q180 VanDerWaalsContact O-N 3.1Å; Q180-K183 WeakPolarHBondContact O-CB 3.4Å; Q180-K183 PolarHBondContact O-N 3.1Å; Q180-K183 VanDerWaalsContact O-N 3.1Å; Q180-I184 PolarHBondContact O-N 3.23Å
181	I	87.3	Confident	89.1	Confident	21 Å²	21	62.2 Å²	62.2	11%	0.108	33%	0.328	C	S	.	.	H	α-helix	trans	-58.6	-48.1	-177.9	-63.6	171.6	0	0	0	111.3	P175 V178 K183 I184 V185 V219 F230 A231	P175-I181 HydrophobicContact CG-CD1 4.24Å; P175-I181 HydrophobicContact CG-CG1 4.38Å; V178-I181 HydrophobicContact CB-CD1 3.91Å; V178-I181 HydrophobicContact CG1-CD1 3.89Å; V178-I181 VanDerWaalsContact O-CB 3.29Å; V178-I181 WeakPolarHBondContact O-CB 3.39Å; V178-I181 WeakPolarHBondContact O-CG1 3.49Å; V178-I181 PolarHBondContact O-N 2.84Å; I181-K183 PolarHBondContact O-N 3.32Å; I181-I184 PolarHBondContact O-N 3Å; I181-V185 HydrophobicContact CG2-CB 4.4Å; I181-V185 PolarHBondContact O-N 3.44Å; I181-V219 HydrophobicContact CG2-CG1 4.02Å; I181-F230 HydrophobicContact CG2-CE1 4.42Å; I181-A231 HydrophobicContact CD1-CB 3.67Å
182	P	86.9	Confident	89.1	Confident	43 Å²	43	61.5 Å²	61.5	28%	0.279	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-20.8	178.6	-25.8	36	0	0	0	114.8	V178 V219 L227	V178-P182 WeakPolarHBondContact O-CD 3.31Å; P182-V219 HydrophobicContact CG-CG1 4.25Å; P182-L227 HydrophobicContact CG-CD1 3.95Å; P182-L227 HydrophobicContact CG-CD2 3.92Å
183	K	88.1	Confident	89	Confident	180 Å²	180	61 Å²	61	78%	0.783	32%	0.316	S	S	*	.	H	α-helix	trans	-81.7	-21.9	178.9	-59.9	-178.5	179.9	178.9	0	112.8	Q180 I181	Q180-K183 WeakPolarHBondContact O-CB 3.4Å; Q180-K183 PolarHBondContact O-N 3.1Å; Q180-K183 VanDerWaalsContact O-N 3.1Å; I181-K183 PolarHBondContact O-N 3.32Å
184	I	87.8	Confident	89	Confident	135 Å²	135	63.5 Å²	63.5	69%	0.692	33%	0.33	S	S	*	.	H	α-helix	trans	-107	-34.2	-174.4	-55.8	171.5	0	0	0	110.2	Q180 I181	Q180-I184 PolarHBondContact O-N 3.23Å; I181-I184 PolarHBondContact O-N 3Å
185	V	85.9	Confident	88.9	Confident	55 Å²	55	72.6 Å²	72.6	33%	0.333	37%	0.365	S	S	.	.			trans	-124.9	121.9	-174.8	-175	0	0	0	0	109.1	I181 L192	I181-V185 HydrophobicContact CG2-CB 4.4Å; I181-V185 PolarHBondContact O-N 3.44Å; V185-L192 HydrophobicContact CG1-CD1 3.63Å; V185-L192 HydrophobicContact CG1-CD2 3.74Å; V185-L192 HydrophobicContact CG1-CG 4.34Å
186	S	86.8	Confident	89.1	Confident	108 Å²	108	74.2 Å²	74.2	76%	0.755	37%	0.365	S	S	*	.			trans	-118.9	136	173.2	59	0	0	0	0	110
187	G	90.9	Very high	89.4	Confident	20 Å²	20	73.8 Å²	73.8	21%	0.206	36%	0.364	C	S	.	.	S	Bend	trans	153.7	173.8	177.8	0	0	0	0	0	111.4	M218 V219	G187-M218 VanDerWaalsContact C-SD 3.58Å; G187-V219 WeakPolarHBondContact O-CG2 3.33Å; G187-V219 PolarHBondContact O-N 3.07Å
188	E	93.2	Very high	89.8	Confident	80 Å²	80	71.1 Å²	71.1	37%	0.374	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-74.9	142.3	173.8	-66	174.3	-174.6	0	0	110.3	K190 T191 L192 R217 M218	E188-K190 VanDerWaalsContact C-N 3.32Å; E188-K190 PolarHBondContact O-N 3.34Å; E188-T191 HydrophobicContact CB-CG2 3.92Å; E188-T191 PolarHBondContact N-OG1 2.94Å; E188-T191 PolarHBondContact O-N 2.88Å; E188-T191 VanDerWaalsContact O-N 3.13Å; E188-T191 PolarHBondContact O-OG1 3.2Å; E188-L192 WeakPolarHBondContact O-CG 3.26Å; E188-L192 PolarHBondContact O-N 3.43Å; E188-L192 VanDerWaalsContact O-N 3.07Å; E188-R217 WeakPolarHBondContact CA-O 3.26Å; E188-M218 HydrophobicContact CG-CE 3.8Å; E188-M218 HydrophobicContact CG-SD 3.87Å
189	V	91.8	Very high	90.1	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-51.9	-50	-179.1	168	0	0	0	0	111.7	T191 L192 L193 R217 V219 L222 F230	V189-T191 PolarHBondContact O-N 3.34Å; V189-L192 PolarHBondContact O-N 2.9Å; V189-L193 HydrophobicContact CG1-CD1 3.82Å; V189-L193 WeakPolarHBondContact O-CG 3.46Å; V189-L193 PolarHBondContact O-N 3.48Å; V189-R217 PolarHBondContact N-O 3.3Å; V189-R217 VanDerWaalsContact N-O 3.09Å; V189-V219 HydrophobicContact CG2-CG2 4.26Å; V189-L222 HydrophobicContact CG2-CD1 3.73Å; V189-L222 HydrophobicContact CG2-CD2 4.32Å; V189-L222 HydrophobicContact CG2-CG 4.41Å; V189-F230 HydrophobicContact CB-CD2 4.42Å; V189-F230 HydrophobicContact CB-CE2 4.38Å; V189-F230 HydrophobicContact CG1-CD2 3.73Å; V189-F230 HydrophobicContact CG1-CE2 3.96Å; V189-F230 HydrophobicContact CG2-CD2 4.22Å; V189-F230 HydrophobicContact CG2-CE2 4.38Å
190	K	92.5	Very high	90.5	Very high	102 Å²	102	73.9 Å²	73.9	44%	0.443	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-43.3	-179.5	-167.6	175.5	-174.6	174.7	0	112.2	E188 L192 L193 N194 T215	E188-K190 VanDerWaalsContact C-N 3.32Å; E188-K190 PolarHBondContact O-N 3.34Å; K190-L192 VanDerWaalsContact C-N 3.29Å; K190-L192 PolarHBondContact O-N 3.26Å; K190-L193 PolarHBondContact O-N 3.41Å; K190-N194 WeakPolarHBondContact O-CB 3.39Å; K190-N194 PolarHBondContact O-N 2.96Å; K190-N194 PolarHBondContact O-OD1 3.22Å; K190-N194 VanDerWaalsContact O-OD1 3.13Å; K190-T215 WeakPolarHBondContact CB-O 3.07Å; K190-T215 PolarHBondContact N-O 3.33Å
191	T	93	Very high	90.9	Very high	49 Å²	49	70.9 Å²	70.9	30%	0.301	37%	0.373	S	S	.	.	H	α-helix	trans	-64.9	-34.6	-179.7	67.9	0	0	0	0	112.4	E188 V189 R195	E188-T191 HydrophobicContact CB-CG2 3.92Å; E188-T191 PolarHBondContact N-OG1 2.94Å; E188-T191 PolarHBondContact O-N 2.88Å; E188-T191 VanDerWaalsContact O-N 3.13Å; E188-T191 PolarHBondContact O-OG1 3.2Å; V189-T191 PolarHBondContact O-N 3.34Å; T191-R195 VanDerWaalsContact O-CG 3.28Å; T191-R195 WeakPolarHBondContact O-CG 3.49Å; T191-R195 PolarHBondContact O-N 2.74Å
192	L	93	Very high	91.1	Very high	16 Å²	16	70.5 Å²	70.5	8%	0.084	37%	0.371	C	S	.	.	H	α-helix	trans	-74.7	-39.8	178.6	-67.8	170.9	0	0	0	111.8	V185 E188 V189 K190 R195 V219 F230 M234	V185-L192 HydrophobicContact CG1-CD1 3.63Å; V185-L192 HydrophobicContact CG1-CD2 3.74Å; V185-L192 HydrophobicContact CG1-CG 4.34Å; E188-L192 WeakPolarHBondContact O-CG 3.26Å; E188-L192 PolarHBondContact O-N 3.43Å; E188-L192 VanDerWaalsContact O-N 3.07Å; V189-L192 PolarHBondContact O-N 2.9Å; K190-L192 VanDerWaalsContact C-N 3.29Å; K190-L192 PolarHBondContact O-N 3.26Å; L192-R195 PolarHBondContact O-N 3.5Å; L192-V219 HydrophobicContact CD1-CG2 3.4Å; L192-V219 VanDerWaalsContact CD1-CG2 3.4Å; L192-F230 HydrophobicContact CB-CE2 4.41Å; L192-F230 HydrophobicContact CB-CZ 4.08Å; L192-F230 HydrophobicContact CD1-CZ 3.9Å; L192-M234 HydrophobicContact CB-SD 4.35Å
193	L	92.5	Very high	91.5	Very high	1 Å²	1	74.5 Å²	74.5	1%	0.005	39%	0.39	C	S	.	.	H	α-helix	trans	-63.3	-49.3	173.5	-73.6	166.5	0	0	0	110.9	V189 K190 R195 K196 D197 Q202 L206 F230 A233 M234 V237	V189-L193 HydrophobicContact CG1-CD1 3.82Å; V189-L193 WeakPolarHBondContact O-CG 3.46Å; V189-L193 PolarHBondContact O-N 3.48Å; K190-L193 PolarHBondContact O-N 3.41Å; L193-R195 PolarHBondContact O-N 3.2Å; L193-R195 VanDerWaalsContact O-N 3.09Å; L193-K196 CarbonylContact O-C 3.51Å; L193-K196 PolarHBondContact O-N 3.13Å; L193-D197 PolarHBondContact O-N 3.38Å; L193-Q202 HydrophobicContact CB-CG 4.41Å; L193-L206 HydrophobicContact CD1-CD2 3.54Å; L193-L206 HydrophobicContact CD1-CG 4.24Å; L193-F230 HydrophobicContact CG-CE2 4.17Å; L193-A233 HydrophobicContact CD2-CB 4.1Å; L193-M234 HydrophobicContact CD2-CG 4.19Å; L193-M234 HydrophobicContact CD2-SD 3.46Å; L193-M234 WeakPolarHBondContact CD2-SD 3.31Å; L193-M234 HydrophobicContact CG-SD 3.88Å; L193-V237 HydrophobicContact CD2-CG1 4.21Å; L193-V237 HydrophobicContact CD2-CG2 3.99Å
194	N	93.4	Very high	91.8	Very high	92 Å²	92	70.1 Å²	70.1	49%	0.492	37%	0.371	S	S	.	.	H	α-helix	trans	-55.5	-33.3	178.5	-70.6	3.6	0	0	0	112.8	K190 K196 Q202	K190-N194 WeakPolarHBondContact O-CB 3.39Å; K190-N194 PolarHBondContact O-N 2.96Å; K190-N194 PolarHBondContact O-OD1 3.22Å; K190-N194 VanDerWaalsContact O-OD1 3.13Å; N194-K196 VanDerWaalsContact C-N 3.27Å; N194-K196 PolarHBondContact O-N 2.81Å; N194-Q202 VanDerWaalsContact OD1-CD 3.28Å; N194-Q202 PolarHBondContact OD1-NE2 2.95Å; N194-Q202 PolarHBondContact OD1-OE1 3.34Å
195	R	92.2	Very high	92.1	Very high	191 Å²	191	64 Å²	64	72%	0.721	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-16.4	178.8	-76	173.9	-175.7	-179.2	4	113.9	T191 L192 L193	T191-R195 VanDerWaalsContact O-CG 3.28Å; T191-R195 WeakPolarHBondContact O-CG 3.49Å; T191-R195 PolarHBondContact O-N 2.74Å; L192-R195 PolarHBondContact O-N 3.5Å; L193-R195 PolarHBondContact O-N 3.2Å; L193-R195 VanDerWaalsContact O-N 3.09Å
196	K	91.9	Very high	92.5	Very high	97 Å²	97	61.9 Å²	61.9	42%	0.422	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-3.5	-173.6	-69.8	-66.7	-175	-177.3	0	112.8	L193 N194 D198 M234 Q238	L193-K196 CarbonylContact O-C 3.51Å; L193-K196 PolarHBondContact O-N 3.13Å; N194-K196 VanDerWaalsContact C-N 3.27Å; N194-K196 PolarHBondContact O-N 2.81Å; K196-D198 PolarHBondContact O-N 3.43Å; K196-D198 VanDerWaalsContact O-N 3.11Å; K196-M234 HydrophobicContact CB-CE 3.73Å; K196-M234 HydrophobicContact CG-CE 3.55Å; K196-Q238 HydrophobicContact CB-CG 4.04Å; K196-Q238 WeakPolarHBondContact O-CG 3.45Å
197	D	92.9	Very high	92.9	Very high	38 Å²	38	62.4 Å²	62.4	20%	0.203	32%	0.318	C	S	.	.			trans	-75.4	97.7	176.1	-174.4	13.1	0	0	0	110.2	L193 R199 G200 Q202 V237	L193-D197 PolarHBondContact O-N 3.38Å; D197-R199 PolarHBondContact OD1-N 3.35Å; D197-R199 VanDerWaalsContact OD1-N 3.08Å; D197-G200 PolarHBondContact OD1-N 3.25Å; D197-G200 WeakPolarHBondContact OD2-CA 3.42Å; D197-Q202 HydrophobicContact CB-CB 4.41Å; D197-Q202 WeakPolarHBondContact OD2-CB 3.23Å; D197-Q202 PolarHBondContact OD2-N 3.17Å; D197-V237 HydrophobicContact CB-CB 4.14Å; D197-V237 HydrophobicContact CB-CG2 4.46Å
198	D	92.3	Very high	93	Very high	84 Å²	84	63.5 Å²	63.5	45%	0.449	32%	0.318	S	S	.	.	S	Bend	trans	-100	-5	175	-55.1	-39.9	0	0	0	111.3	R170 K196 V237 K239	R170-D198 IonicContact CZ-OD2 3.41Å; R170-D198 VanDerWaalsContact CZ-OD2 3.24Å; R170-D198 IonicContact NH1-OD2 3.06Å; R170-D198 PolarHBondContact NH1-OD2 2.9Å; R170-D198 IonicContact NH2-OD2 3.89Å; R170-D198 PolarHBondContact NH2-OD2 3.24Å; K196-D198 PolarHBondContact O-N 3.43Å; K196-D198 VanDerWaalsContact O-N 3.11Å; D198-V237 PolarHBondContact N-O 2.97Å; D198-K239 HydrophobicContact CB-CB 4.05Å
199	R	91.7	Very high	93.1	Very high	71 Å²	71	59.7 Å²	59.7	27%	0.268	30%	0.3	S	S	.	.	S	Bend	trans	-103.7	-18.4	-176.1	-69.7	-174.9	73.2	150.8	6	113.1	D197 N201 C236 V237 Q238 K239 Y243 E269	D197-R199 PolarHBondContact OD1-N 3.35Å; D197-R199 VanDerWaalsContact OD1-N 3.08Å; R199-N201 HydrophobicContact CB-CB 4.37Å; R199-N201 WeakPolarHBondContact CB-OD1 3.46Å; R199-N201 PolarHBondContact O-N 2.93Å; R199-C236 WeakPolarHBondContact CD-O 3.17Å; R199-V237 PolarHBondContact N-O 3.45Å; R199-Q238 WeakPolarHBondContact CD-O 3.29Å; R199-K239 HydrophobicContact CG-CB 4.06Å; R199-Y243 PolarHBondContact NH1-OH 3.47Å; R199-E269 IonicContact CZ-OE1 2.92Å; R199-E269 IonicContact NH2-OE1 3.49Å; R199-E269 PolarHBondContact NH2-OE1 3.34Å; R199-E269 VanDerWaalsContact NH2-OE1 3.16Å
200	G	91.2	Very high	93.1	Very high	69 Å²	69	62.7 Å²	62.7	71%	0.711	32%	0.316	S	S	*	.	S	Bend	trans	66.5	22.4	-174.5	0	0	0	0	0	113	D197	D197-G200 PolarHBondContact OD1-N 3.25Å; D197-G200 WeakPolarHBondContact OD2-CA 3.42Å
201	N	93.3	Very high	93.2	Very high	37 Å²	37	57.8 Å²	57.8	20%	0.198	30%	0.295	C	S	.	.			trans	-107.6	13.1	-177.8	70	-16.2	0	0	0	112.6	R199 D203 H204 V205 C236 V237	R199-N201 HydrophobicContact CB-CB 4.37Å; R199-N201 WeakPolarHBondContact CB-OD1 3.46Å; R199-N201 PolarHBondContact O-N 2.93Å; N201-D203 VanDerWaalsContact C-N 3.34Å; N201-D203 PolarHBondContact O-N 3.09Å; N201-H204 PolarHBondContact O-N 3.23Å; N201-V205 WeakPolarHBondContact O-CG2 3.45Å; N201-V205 PolarHBondContact O-N 3.43Å; N201-C236 PolarHBondContact ND2-O 3.39Å; N201-V237 WeakPolarHBondContact OD1-CA 3.35Å
202	Q	92.5	Very high	93.1	Very high	13 Å²	13	60.8 Å²	60.8	6%	0.061	31%	0.306	C	S	.	.	H	α-helix	trans	-53.4	-45	-174.9	171	175.2	-26.1	0	0	113.6	L193 N194 D197 H204 V205 L206 V237	L193-Q202 HydrophobicContact CB-CG 4.41Å; N194-Q202 VanDerWaalsContact OD1-CD 3.28Å; N194-Q202 PolarHBondContact OD1-NE2 2.95Å; N194-Q202 PolarHBondContact OD1-OE1 3.34Å; D197-Q202 HydrophobicContact CB-CB 4.41Å; D197-Q202 WeakPolarHBondContact OD2-CB 3.23Å; D197-Q202 PolarHBondContact OD2-N 3.17Å; Q202-H204 PolarHBondContact O-N 3.32Å; Q202-V205 PolarHBondContact O-N 3.21Å; Q202-L206 HydrophobicContact CG-CD1 3.74Å; Q202-L206 HydrophobicContact CG-CG 4.13Å; Q202-L206 WeakPolarHBondContact O-CB 3.32Å; Q202-L206 VanDerWaalsContact O-CG 3.27Å; Q202-L206 WeakPolarHBondContact O-CG 3.47Å; Q202-L206 PolarHBondContact O-N 2.97Å; Q202-V237 HydrophobicContact CB-CG1 4.27Å
203	D	93.8	Very high	92.8	Very high	127 Å²	127	65.8 Å²	65.8	68%	0.679	34%	0.336	S	S	*	.	H	α-helix	trans	-64	-42.4	-176.8	-67.7	-29.6	0	0	0	111.9	N201 L206 E207	N201-D203 VanDerWaalsContact C-N 3.34Å; N201-D203 PolarHBondContact O-N 3.09Å; D203-L206 PolarHBondContact O-N 3.37Å; D203-E207 PolarHBondContact O-N 3.47Å
204	H	95.1	Very high	92.6	Very high	87 Å²	87	65.9 Å²	65.9	40%	0.403	34%	0.337	S	S	.	.	H	α-helix	trans	-62.3	-44.5	174.2	178.3	70.5	0	0	0	111.6	N201 Q202 L206 E207 M208 E266	N201-H204 PolarHBondContact O-N 3.23Å; Q202-H204 PolarHBondContact O-N 3.32Å; H204-L206 PolarHBondContact O-N 3.38Å; H204-E207 PolarHBondContact O-N 3.06Å; H204-M208 VanDerWaalsContact O-CB 3.24Å; H204-M208 WeakPolarHBondContact O-CB 3.29Å; H204-M208 PolarHBondContact O-N 2.93Å; H204-E266 IonicContact CD2-OE2 3.36Å; H204-E266 IonicContact CE1-OE2 2.94Å; H204-E266 IonicContact NE2-OE1 2.97Å; H204-E266 IonicContact NE2-OE2 3.11Å; H204-E266 PolarHBondContact NE2-OE2 3.23Å
205	V	94.8	Very high	92.4	Very high	8 Å²	8	62.6 Å²	62.6	5%	0.048	32%	0.32	C	S	.	.	H	α-helix	trans	-65.3	-39.3	177.8	174.1	0	0	0	0	111.5	N201 Q202 M208 L209 A233 C236 V237	N201-V205 WeakPolarHBondContact O-CG2 3.45Å; N201-V205 PolarHBondContact O-N 3.43Å; Q202-V205 PolarHBondContact O-N 3.21Å; V205-M208 PolarHBondContact O-N 2.99Å; V205-L209 HydrophobicContact CG1-CD1 3.84Å; V205-L209 WeakPolarHBondContact O-CB 3.33Å; V205-L209 PolarHBondContact O-N 2.7Å; V205-A233 HydrophobicContact CG1-CB 3.72Å; V205-C236 HydrophobicContact CG1-CB 3.95Å; V205-C236 HydrophobicContact CG2-CB 4.01Å; V205-V237 HydrophobicContact CB-CG1 4.15Å; V205-V237 HydrophobicContact CG1-CG1 4.16Å; V205-V237 HydrophobicContact CG2-CG1 4.2Å
206	L	94.8	Very high	92.4	Very high	9 Å²	9	61.2 Å²	61.2	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-39.5	177.1	-78	174.4	0	0	0	112	L193 Q202 D203 H204 D210 L211 Q212 T215	L193-L206 HydrophobicContact CD1-CD2 3.54Å; L193-L206 HydrophobicContact CD1-CG 4.24Å; Q202-L206 HydrophobicContact CG-CD1 3.74Å; Q202-L206 HydrophobicContact CG-CG 4.13Å; Q202-L206 WeakPolarHBondContact O-CB 3.32Å; Q202-L206 VanDerWaalsContact O-CG 3.27Å; Q202-L206 WeakPolarHBondContact O-CG 3.47Å; Q202-L206 PolarHBondContact O-N 2.97Å; D203-L206 PolarHBondContact O-N 3.37Å; H204-L206 PolarHBondContact O-N 3.38Å; L206-D210 PolarHBondContact O-N 3.09Å; L206-L211 HydrophobicContact CD2-CB 3.51Å; L206-L211 HydrophobicContact CD2-CD1 4.24Å; L206-L211 PolarHBondContact O-N 2.88Å; L206-Q212 HydrophobicContact CB-CG 4.42Å; L206-T215 HydrophobicContact CD1-CG2 3.86Å; L206-T215 HydrophobicContact CD2-CG2 3.91Å
207	E	94.6	Very high	92.4	Very high	120 Å²	120	61.6 Å²	61.6	56%	0.561	32%	0.321	S	S	*	.	H	α-helix	trans	-67.8	-50.8	173.4	-174	175.4	177.6	0	0	111.1	D203 H204 L209 D210	D203-E207 PolarHBondContact O-N 3.47Å; H204-E207 PolarHBondContact O-N 3.06Å; E207-L209 VanDerWaalsContact C-N 3.26Å; E207-L209 PolarHBondContact O-N 2.92Å; E207-D210 PolarHBondContact O-N 3.46Å
208	M	93.5	Very high	92.4	Very high	42 Å²	42	63.9 Å²	63.9	21%	0.207	33%	0.331	C	S	.	.	H	α-helix	trans	-60.1	-35.8	-177	-175.9	87.7	-56.7	0	0	112.4	H204 V205 K259 I262 A263	H204-M208 VanDerWaalsContact O-CB 3.24Å; H204-M208 WeakPolarHBondContact O-CB 3.29Å; H204-M208 PolarHBondContact O-N 2.93Å; V205-M208 PolarHBondContact O-N 2.99Å; M208-K259 WeakPolarHBondContact O-CB 3.27Å; M208-K259 WeakPolarHBondContact O-CD 3.38Å; M208-I262 HydrophobicContact SD-CB 4.43Å; M208-I262 HydrophobicContact SD-CG2 3.85Å; M208-A263 HydrophobicContact CG-CB 3.93Å
209	L	94.9	Very high	92.4	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	11.5	179.6	-62	175.4	0	0	0	113.6	V205 E207 L211 R229 C232 A233 A263	V205-L209 HydrophobicContact CG1-CD1 3.84Å; V205-L209 WeakPolarHBondContact O-CB 3.33Å; V205-L209 PolarHBondContact O-N 2.7Å; E207-L209 VanDerWaalsContact C-N 3.26Å; E207-L209 PolarHBondContact O-N 2.92Å; L209-L211 VanDerWaalsContact C-N 3.27Å; L209-L211 HydrophobicContact CB-CD1 4.06Å; L209-L211 HydrophobicContact CB-CG 4.12Å; L209-L211 PolarHBondContact O-N 3.02Å; L209-R229 HydrophobicContact CB-CB 4.42Å; L209-R229 WeakPolarHBondContact O-CD 3.46Å; L209-R229 PolarHBondContact O-NH1 3.1Å; L209-C232 HydrophobicContact CD1-CB 4.31Å; L209-A233 HydrophobicContact CD1-CB 3.64Å; L209-A263 HydrophobicContact CD2-CB 4.03Å; L209-A263 HydrophobicContact CG-CB 4.44Å
210	D	91.9	Very high	92.3	Very high	62 Å²	62	59.1 Å²	59.1	33%	0.332	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	42.9	178.6	-61.2	-44.9	0	0	0	112.9	L206 E207 R229 K259	L206-D210 PolarHBondContact O-N 3.09Å; E207-D210 PolarHBondContact O-N 3.46Å; D210-R229 VanDerWaalsContact CB-NH1 3.33Å; D210-R229 PolarHBondContact O-NH1 3.38Å; D210-K259 IonicContact OD1-NZ 3.59Å; D210-K259 PolarHBondContact OD1-NZ 3.13Å; D210-K259 WeakPolarHBondContact OD2-CD 3.43Å; D210-K259 IonicContact OD2-NZ 2.82Å; D210-K259 PolarHBondContact OD2-NZ 3.34Å
211	L	93	Very high	92.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.321	C	S	.	.			trans	-101.4	-5.1	-177	-71.5	174.5	0	0	0	113.9	L206 L209 V213 V214 T215 R229 A233	L206-L211 HydrophobicContact CD2-CB 3.51Å; L206-L211 HydrophobicContact CD2-CD1 4.24Å; L206-L211 PolarHBondContact O-N 2.88Å; L209-L211 VanDerWaalsContact C-N 3.27Å; L209-L211 HydrophobicContact CB-CD1 4.06Å; L209-L211 HydrophobicContact CB-CG 4.12Å; L209-L211 PolarHBondContact O-N 3.02Å; L211-V213 VanDerWaalsContact C-N 3.26Å; L211-V213 PolarHBondContact O-N 2.97Å; L211-V214 HydrophobicContact CB-CG2 4.09Å; L211-V214 HydrophobicContact CD2-CG2 3.55Å; L211-V214 HydrophobicContact CG-CG2 4.44Å; L211-V214 WeakPolarHBondContact O-CG2 3.4Å; L211-V214 PolarHBondContact O-N 3.2Å; L211-T215 WeakPolarHBondContact O-CG2 3.34Å; L211-T215 PolarHBondContact O-N 3.44Å; L211-R229 HydrophobicContact CD1-CB 4.49Å; L211-R229 HydrophobicContact CD2-CB 3.93Å; L211-R229 HydrophobicContact CG-CB 4.3Å; L211-A233 HydrophobicContact CD1-CB 3.53Å
212	Q	91.2	Very high	92.2	Very high	112 Å²	112	60.4 Å²	60.4	52%	0.523	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-51.5	-43.2	-177.9	-67.1	177	-12.9	0	0	112.8	L206 V214 T215	L206-Q212 HydrophobicContact CB-CG 4.42Å; Q212-V214 VanDerWaalsContact C-N 3.27Å; Q212-V214 PolarHBondContact O-N 2.83Å; Q212-T215 WeakPolarHBondContact O-CG2 3.39Å; Q212-T215 PolarHBondContact O-N 3.14Å; Q212-T215 PolarHBondContact O-OG1 2.91Å
213	V	87	Confident	92	Very high	120 Å²	120	62.6 Å²	62.6	73%	0.727	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-69.8	-20.9	-178.1	-173.8	0	0	0	0	113.3	L211	L211-V213 VanDerWaalsContact C-N 3.26Å; L211-V213 PolarHBondContact O-N 2.97Å
214	V	89	Confident	91.7	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.024	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-106.6	5.1	-176.9	-58.9	0	0	0	0	113.5	L211 Q212 E216 R217 L222 E226	L211-V214 HydrophobicContact CB-CG2 4.09Å; L211-V214 HydrophobicContact CD2-CG2 3.55Å; L211-V214 HydrophobicContact CG-CG2 4.44Å; L211-V214 WeakPolarHBondContact O-CG2 3.4Å; L211-V214 PolarHBondContact O-N 3.2Å; Q212-V214 VanDerWaalsContact C-N 3.27Å; Q212-V214 PolarHBondContact O-N 2.83Å; V214-E216 VanDerWaalsContact C-N 3.27Å; V214-E216 PolarHBondContact O-N 3.43Å; V214-R217 HydrophobicContact CB-CB 4.5Å; V214-R217 HydrophobicContact CB-CG 4.47Å; V214-R217 WeakPolarHBondContact O-CB 3.44Å; V214-R217 PolarHBondContact O-N 3.19Å; V214-L222 HydrophobicContact CB-CD2 3.79Å; V214-L222 HydrophobicContact CG1-CD2 4.15Å; V214-L222 HydrophobicContact CG2-CD2 4.25Å; V214-E226 HydrophobicContact CG1-CG 4.19Å; V214-E226 VanDerWaalsContact CG1-OE1 3.31Å; V214-E226 WeakPolarHBondContact CG1-OE1 3.21Å
215	T	89.5	Confident	91.5	Very high	22 Å²	22	54 Å²	54	14%	0.135	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-37.6	-177.5	48.5	0	0	0	0	113.5	K190 L206 L211 Q212	K190-T215 WeakPolarHBondContact CB-O 3.07Å; K190-T215 PolarHBondContact N-O 3.33Å; L206-T215 HydrophobicContact CD1-CG2 3.86Å; L206-T215 HydrophobicContact CD2-CG2 3.91Å; L211-T215 WeakPolarHBondContact O-CG2 3.34Å; L211-T215 PolarHBondContact O-N 3.44Å; Q212-T215 WeakPolarHBondContact O-CG2 3.39Å; Q212-T215 PolarHBondContact O-N 3.14Å; Q212-T215 PolarHBondContact O-OG1 2.91Å
216	E	90.8	Very high	91.4	Very high	162 Å²	162	55 Å²	55	76%	0.757	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.1	179.4	-61.1	179.6	175	0	0	113.1	V214	V214-E216 VanDerWaalsContact C-N 3.27Å; V214-E216 PolarHBondContact O-N 3.43Å
217	R	92.5	Very high	91.3	Very high	106 Å²	106	55 Å²	55	40%	0.4	30%	0.3	S	S	.	.	S	Bend	trans	-80.5	152.4	179.4	-64.2	-171.1	-174.1	169.2	2.6	111.2	E188 V189 V214 L222 E226	E188-R217 WeakPolarHBondContact CA-O 3.26Å; V189-R217 PolarHBondContact N-O 3.3Å; V189-R217 VanDerWaalsContact N-O 3.09Å; V214-R217 HydrophobicContact CB-CB 4.5Å; V214-R217 HydrophobicContact CB-CG 4.47Å; V214-R217 WeakPolarHBondContact O-CB 3.44Å; V214-R217 PolarHBondContact O-N 3.19Å; R217-L222 HydrophobicContact CB-CD2 4.1Å; R217-E226 IonicContact NH1-OE1 3.68Å; R217-E226 PolarHBondContact NH1-OE1 2.84Å
218	M	92.7	Very high	91.3	Very high	86 Å²	86	49.3 Å²	49.3	42%	0.424	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-74	143.4	169.8	-65.8	-67.4	177.1	0	0	110.2	G187 E188 G220 D221	G187-M218 VanDerWaalsContact C-SD 3.58Å; E188-M218 HydrophobicContact CG-CE 3.8Å; E188-M218 HydrophobicContact CG-SD 3.87Å; M218-G220 PolarHBondContact O-N 3.32Å; M218-G220 VanDerWaalsContact O-N 3.11Å; M218-D221 PolarHBondContact O-N 3.41Å
219	V	91.9	Very high	91.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-55.4	-31	176.9	172.2	0	0	0	0	112.5	I181 P182 G187 V189 L192 D221 L222 L227 F230	I181-V219 HydrophobicContact CG2-CG1 4.02Å; P182-V219 HydrophobicContact CG-CG1 4.25Å; G187-V219 WeakPolarHBondContact O-CG2 3.33Å; G187-V219 PolarHBondContact O-N 3.07Å; V189-V219 HydrophobicContact CG2-CG2 4.26Å; L192-V219 HydrophobicContact CD1-CG2 3.4Å; L192-V219 VanDerWaalsContact CD1-CG2 3.4Å; V219-D221 VanDerWaalsContact C-N 3.29Å; V219-D221 PolarHBondContact O-N 2.93Å; V219-L222 PolarHBondContact O-N 3.21Å; V219-L227 HydrophobicContact CG1-CD2 3.79Å; V219-L227 WeakPolarHBondContact O-CD2 3.19Å; V219-F230 HydrophobicContact CG1-CE1 4.23Å; V219-F230 HydrophobicContact CG2-CD1 4.37Å; V219-F230 HydrophobicContact CG2-CE1 3.73Å; V219-F230 HydrophobicContact CG2-CZ 3.84Å
220	G	90.4	Very high	91.4	Very high	54 Å²	54	48.5 Å²	48.5	56%	0.557	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-68.7	-21.7	177.3	0	0	0	0	0	115.5	M218	M218-G220 PolarHBondContact O-N 3.32Å; M218-G220 VanDerWaalsContact O-N 3.11Å
221	D	91.3	Very high	91.6	Very high	121 Å²	121	45.8 Å²	45.8	65%	0.647	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-95.6	-3.8	-177.2	-59.5	-33.6	0	0	0	112.6	M218 V219	M218-D221 PolarHBondContact O-N 3.41Å; V219-D221 VanDerWaalsContact C-N 3.29Å; V219-D221 PolarHBondContact O-N 2.93Å
222	L	90.2	Very high	91.7	Very high	13 Å²	13	45.8 Å²	45.8	7%	0.068	25%	0.254	C	S	.	.			trans	-73.1	139.5	179.6	-62.7	-175.8	0	0	0	111.3	V189 V214 R217 V219 E226 L227 F230	V189-L222 HydrophobicContact CG2-CD1 3.73Å; V189-L222 HydrophobicContact CG2-CD2 4.32Å; V189-L222 HydrophobicContact CG2-CG 4.41Å; V214-L222 HydrophobicContact CB-CD2 3.79Å; V214-L222 HydrophobicContact CG1-CD2 4.15Å; V214-L222 HydrophobicContact CG2-CD2 4.25Å; R217-L222 HydrophobicContact CB-CD2 4.1Å; V219-L222 PolarHBondContact O-N 3.21Å; L222-E226 HydrophobicContact CB-CB 3.96Å; L222-E226 HydrophobicContact CD2-CB 4.13Å; L222-E226 HydrophobicContact CG-CB 4.43Å; L222-L227 HydrophobicContact CB-CD2 3.88Å; L222-L227 HydrophobicContact CB-CG 3.7Å; L222-L227 HydrophobicContact CD1-CD2 4.02Å; L222-F230 HydrophobicContact CD1-CB 4.2Å; L222-F230 HydrophobicContact CD1-CG 4.38Å
223	S	88.7	Confident	91.9	Very high	59 Å²	59	40.5 Å²	40.5	41%	0.413	23%	0.23	S	C	.	.			trans	-65.2	161.5	167.3	64.6	0	0	0	0	111.5	G225 E226 L227	S223-G225 VanDerWaalsContact C-N 3.26Å; S223-G225 PolarHBondContact O-N 2.94Å; S223-E226 WeakPolarHBondContact CB-OE2 3.47Å; S223-E226 PolarHBondContact N-OE2 3.08Å; S223-E226 PolarHBondContact O-N 3.14Å; S223-E226 WeakPolarHBondContact OG-CB 3.45Å; S223-E226 VanDerWaalsContact OG-CG 3.22Å; S223-E226 WeakPolarHBondContact OG-CG 3.38Å; S223-E226 PolarHBondContact OG-N 2.95Å; S223-E226 PolarHBondContact OG-OE2 3.11Å; S223-L227 WeakPolarHBondContact O-CB 3.34Å; S223-L227 WeakPolarHBondContact O-CG 3.35Å; S223-L227 PolarHBondContact O-N 2.9Å
224	G	87.8	Confident	92.3	Very high	22 Å²	22	36.3 Å²	36.3	23%	0.227	20%	0.202	C	C	.	.	H	α-helix	trans	-55.8	-37.9	178.7	0	0	0	0	0	113.9	Q228	G224-Q228 WeakPolarHBondContact O-CB 3.18Å; G224-Q228 PolarHBondContact O-N 3.16Å
225	G	90.2	Very high	92.6	Very high	10 Å²	10	36.4 Å²	36.4	10%	0.103	20%	0.203	C	C	.	.	H	α-helix	trans	-72.3	-36.1	175.4	0	0	0	0	0	113.5	S223 R229	S223-G225 VanDerWaalsContact C-N 3.26Å; S223-G225 PolarHBondContact O-N 2.94Å; G225-R229 WeakPolarHBondContact O-CG 3.47Å; G225-R229 PolarHBondContact O-N 2.82Å; G225-R229 VanDerWaalsContact O-N 3.09Å; G225-R229 PolarHBondContact O-NE 3.06Å
226	E	92.6	Very high	92.9	Very high	30 Å²	30	35.4 Å²	35.4	14%	0.14	20%	0.197	C	C	.	.	H	α-helix	trans	-67.8	-42	171.8	-71.7	162.2	155.6	0	0	111.3	V214 R217 L222 S223 Q228 R229 F230	V214-E226 HydrophobicContact CG1-CG 4.19Å; V214-E226 VanDerWaalsContact CG1-OE1 3.31Å; V214-E226 WeakPolarHBondContact CG1-OE1 3.21Å; R217-E226 IonicContact NH1-OE1 3.68Å; R217-E226 PolarHBondContact NH1-OE1 2.84Å; L222-E226 HydrophobicContact CB-CB 3.96Å; L222-E226 HydrophobicContact CD2-CB 4.13Å; L222-E226 HydrophobicContact CG-CB 4.43Å; S223-E226 WeakPolarHBondContact CB-OE2 3.47Å; S223-E226 PolarHBondContact N-OE2 3.08Å; S223-E226 PolarHBondContact O-N 3.14Å; S223-E226 WeakPolarHBondContact OG-CB 3.45Å; S223-E226 VanDerWaalsContact OG-CG 3.22Å; S223-E226 WeakPolarHBondContact OG-CG 3.38Å; S223-E226 PolarHBondContact OG-N 2.95Å; S223-E226 PolarHBondContact OG-OE2 3.11Å; E226-Q228 VanDerWaalsContact C-N 3.32Å; E226-Q228 PolarHBondContact O-N 2.98Å; E226-R229 VanDerWaalsContact CG-NH2 3.28Å; E226-R229 PolarHBondContact O-N 3.35Å; E226-F230 VanDerWaalsContact O-CB 3.26Å; E226-F230 WeakPolarHBondContact O-CB 3.44Å; E226-F230 PolarHBondContact O-N 3.17Å
227	L	93.7	Very high	93.2	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.052	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-42.3	174.2	-79.6	172.5	0	0	0	111.9	V178 P182 V219 L222 S223 A231	V178-L227 HydrophobicContact CB-CB 4.39Å; V178-L227 HydrophobicContact CG2-CB 4.46Å; P182-L227 HydrophobicContact CG-CD1 3.95Å; P182-L227 HydrophobicContact CG-CD2 3.92Å; V219-L227 HydrophobicContact CG1-CD2 3.79Å; V219-L227 WeakPolarHBondContact O-CD2 3.19Å; L222-L227 HydrophobicContact CB-CD2 3.88Å; L222-L227 HydrophobicContact CB-CG 3.7Å; L222-L227 HydrophobicContact CD1-CD2 4.02Å; S223-L227 WeakPolarHBondContact O-CB 3.34Å; S223-L227 WeakPolarHBondContact O-CG 3.35Å; S223-L227 PolarHBondContact O-N 2.9Å; L227-A231 VanDerWaalsContact O-CB 3.29Å; L227-A231 WeakPolarHBondContact O-CB 3.28Å; L227-A231 PolarHBondContact O-N 2.75Å
228	Q	94.7	Very high	93.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-48.6	177.2	-176.8	79.7	4.3	0	0	111.4	G224 E226 F230 A231 C232 E247 P248 S250 L252	G224-Q228 WeakPolarHBondContact O-CB 3.18Å; G224-Q228 PolarHBondContact O-N 3.16Å; E226-Q228 VanDerWaalsContact C-N 3.32Å; E226-Q228 PolarHBondContact O-N 2.98Å; Q228-F230 VanDerWaalsContact C-N 3.34Å; Q228-F230 PolarHBondContact O-N 2.82Å; Q228-A231 PolarHBondContact O-N 3.11Å; Q228-C232 PolarHBondContact O-N 2.91Å; Q228-C232 PolarHBondContact O-SG 3.44Å; Q228-E247 PolarHBondContact NE2-O 3.11Å; Q228-P248 WeakPolarHBondContact CG-O 3.48Å; Q228-P248 PolarHBondContact NE2-O 3.07Å; Q228-S250 VanDerWaalsContact CG-O 3.24Å; Q228-S250 WeakPolarHBondContact CG-O 3.46Å; Q228-L252 HydrophobicContact CB-CD2 3.98Å; Q228-L252 HydrophobicContact CG-CD1 4.34Å; Q228-L252 HydrophobicContact CG-CD2 3.95Å; Q228-L252 HydrophobicContact CG-CG 4.08Å
229	R	95	Very high	93.4	Very high	20 Å²	20	26.3 Å²	26.3	8%	0.075	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-42.1	177.3	-71.2	178.4	-63.3	141.4	-8.9	111.3	L209 D210 L211 G225 E226 C232 A233 L252	L209-R229 HydrophobicContact CB-CB 4.42Å; L209-R229 WeakPolarHBondContact O-CD 3.46Å; L209-R229 PolarHBondContact O-NH1 3.1Å; D210-R229 VanDerWaalsContact CB-NH1 3.33Å; D210-R229 PolarHBondContact O-NH1 3.38Å; L211-R229 HydrophobicContact CD1-CB 4.49Å; L211-R229 HydrophobicContact CD2-CB 3.93Å; L211-R229 HydrophobicContact CG-CB 4.3Å; G225-R229 WeakPolarHBondContact O-CG 3.47Å; G225-R229 PolarHBondContact O-N 2.82Å; G225-R229 VanDerWaalsContact O-N 3.09Å; G225-R229 PolarHBondContact O-NE 3.06Å; E226-R229 VanDerWaalsContact CG-NH2 3.28Å; E226-R229 PolarHBondContact O-N 3.35Å; R229-C232 PolarHBondContact O-N 2.8Å; R229-A233 WeakPolarHBondContact O-CB 3.47Å; R229-A233 PolarHBondContact O-N 2.86Å; R229-L252 HydrophobicContact CG-CD1 4.49Å; R229-L252 HydrophobicContact CG-CD2 3.67Å
230	F	95.3	Very high	93.5	Very high	5 Å²	5	26.7 Å²	26.7	2%	0.022	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-45.9	172.3	170.1	-110.7	0	0	0	111.9	I181 V189 L192 L193 V219 L222 E226 Q228 C232 A233 M234	I181-F230 HydrophobicContact CG2-CE1 4.42Å; V189-F230 HydrophobicContact CB-CD2 4.42Å; V189-F230 HydrophobicContact CB-CE2 4.38Å; V189-F230 HydrophobicContact CG1-CD2 3.73Å; V189-F230 HydrophobicContact CG1-CE2 3.96Å; V189-F230 HydrophobicContact CG2-CD2 4.22Å; V189-F230 HydrophobicContact CG2-CE2 4.38Å; L192-F230 HydrophobicContact CB-CE2 4.41Å; L192-F230 HydrophobicContact CB-CZ 4.08Å; L192-F230 HydrophobicContact CD1-CZ 3.9Å; L193-F230 HydrophobicContact CG-CE2 4.17Å; V219-F230 HydrophobicContact CG1-CE1 4.23Å; V219-F230 HydrophobicContact CG2-CD1 4.37Å; V219-F230 HydrophobicContact CG2-CE1 3.73Å; V219-F230 HydrophobicContact CG2-CZ 3.84Å; L222-F230 HydrophobicContact CD1-CB 4.2Å; L222-F230 HydrophobicContact CD1-CG 4.38Å; E226-F230 VanDerWaalsContact O-CB 3.26Å; E226-F230 WeakPolarHBondContact O-CB 3.44Å; E226-F230 PolarHBondContact O-N 3.17Å; Q228-F230 VanDerWaalsContact C-N 3.34Å; Q228-F230 PolarHBondContact O-N 2.82Å; F230-C232 VanDerWaalsContact C-N 3.32Å; F230-C232 PolarHBondContact O-N 3.39Å; F230-A233 WeakPolarHBondContact O-CB 3.49Å; F230-A233 PolarHBondContact O-N 3.43Å; F230-A233 VanDerWaalsContact O-N 3.17Å; F230-M234 HydrophobicContact CD1-CG 4.4Å; F230-M234 HydrophobicContact CD2-CG 4.06Å; F230-M234 HydrophobicContact CD2-SD 4.41Å; F230-M234 HydrophobicContact CE1-CG 3.98Å; F230-M234 HydrophobicContact CE2-CG 3.61Å; F230-M234 HydrophobicContact CE2-SD 3.52Å; F230-M234 VanDerWaalsContact CE2-SD 3.52Å; F230-M234 HydrophobicContact CG-CG 4.45Å; F230-M234 HydrophobicContact CZ-CG 3.57Å; F230-M234 HydrophobicContact CZ-SD 3.61Å; F230-M234 VanDerWaalsContact O-CG 3.29Å; F230-M234 WeakPolarHBondContact O-CG 3.3Å; F230-M234 PolarHBondContact O-N 3.37Å
231	A	95.3	Very high	93.7	Very high	6 Å²	6	27.1 Å²	27.1	5%	0.05	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-39.5	178.2	0	0	0	0	0	112.2	K174 V178 I181 L227 Q228	K174-A231 HydrophobicContact CG-CB 4.06Å; V178-A231 HydrophobicContact CG1-CB 3.92Å; I181-A231 HydrophobicContact CD1-CB 3.67Å; L227-A231 VanDerWaalsContact O-CB 3.29Å; L227-A231 WeakPolarHBondContact O-CB 3.28Å; L227-A231 PolarHBondContact O-N 2.75Å; Q228-A231 PolarHBondContact O-N 3.11Å
232	C	96.5	Very high	93.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.5	-46.5	172	-67.4	0	0	0	0	111.2	L209 Q228 R229 F230 M234 V235 C236 F245 T260	L209-C232 HydrophobicContact CD1-CB 4.31Å; Q228-C232 PolarHBondContact O-N 2.91Å; Q228-C232 PolarHBondContact O-SG 3.44Å; R229-C232 PolarHBondContact O-N 2.8Å; F230-C232 VanDerWaalsContact C-N 3.32Å; F230-C232 PolarHBondContact O-N 3.39Å; C232-M234 VanDerWaalsContact C-N 3.32Å; C232-M234 PolarHBondContact O-N 3.03Å; C232-V235 WeakPolarHBondContact O-CB 3.48Å; C232-V235 PolarHBondContact O-N 2.95Å; C232-C236 PolarHBondContact O-N 3.29Å; C232-C236 PolarHBondContact O-SG 2.98Å; C232-F245 HydrophobicContact CB-CE1 4.4Å; C232-T260 HydrophobicContact CB-CG2 4.17Å
233	A	95.7	Very high	94.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56	-45.2	178	0	0	0	0	0	112.1	L193 V205 L209 L211 R229 F230 V235 C236 V237	L193-A233 HydrophobicContact CD2-CB 4.1Å; V205-A233 HydrophobicContact CG1-CB 3.72Å; L209-A233 HydrophobicContact CD1-CB 3.64Å; L211-A233 HydrophobicContact CD1-CB 3.53Å; R229-A233 WeakPolarHBondContact O-CB 3.47Å; R229-A233 PolarHBondContact O-N 2.86Å; F230-A233 WeakPolarHBondContact O-CB 3.49Å; F230-A233 PolarHBondContact O-N 3.43Å; F230-A233 VanDerWaalsContact O-N 3.17Å; A233-V235 PolarHBondContact O-N 3.1Å; A233-C236 PolarHBondContact O-N 3.4Å; A233-V237 WeakPolarHBondContact O-CG1 3.5Å; A233-V237 WeakPolarHBondContact O-CG2 3.31Å; A233-V237 PolarHBondContact O-N 2.96Å
234	M	94.5	Very high	94.6	Very high	32 Å²	32	18 Å²	18	16%	0.158	10%	0.095	C	C	.	.	H	α-helix	trans	-56.9	-31.8	177	-73.9	-61.3	-57.2	0	0	112.8	L192 L193 K196 F230 C232 Q238	L192-M234 HydrophobicContact CB-SD 4.35Å; L193-M234 HydrophobicContact CD2-CG 4.19Å; L193-M234 HydrophobicContact CD2-SD 3.46Å; L193-M234 WeakPolarHBondContact CD2-SD 3.31Å; L193-M234 HydrophobicContact CG-SD 3.88Å; K196-M234 HydrophobicContact CB-CE 3.73Å; K196-M234 HydrophobicContact CG-CE 3.55Å; F230-M234 HydrophobicContact CD1-CG 4.4Å; F230-M234 HydrophobicContact CD2-CG 4.06Å; F230-M234 HydrophobicContact CD2-SD 4.41Å; F230-M234 HydrophobicContact CE1-CG 3.98Å; F230-M234 HydrophobicContact CE2-CG 3.61Å; F230-M234 HydrophobicContact CE2-SD 3.52Å; F230-M234 VanDerWaalsContact CE2-SD 3.52Å; F230-M234 HydrophobicContact CG-CG 4.45Å; F230-M234 HydrophobicContact CZ-CG 3.57Å; F230-M234 HydrophobicContact CZ-SD 3.61Å; F230-M234 VanDerWaalsContact O-CG 3.29Å; F230-M234 WeakPolarHBondContact O-CG 3.3Å; F230-M234 PolarHBondContact O-N 3.37Å; C232-M234 VanDerWaalsContact C-N 3.32Å; C232-M234 PolarHBondContact O-N 3.03Å; M234-Q238 WeakPolarHBondContact O-CG 3.47Å; M234-Q238 PolarHBondContact O-NE2 3.05Å
235	V	95.6	Very high	95	Very high	6 Å²	6	17 Å²	17	4%	0.036	9%	0.085	C	C	.	.	H	α-helix	trans	-80.1	-42.1	174.4	176.6	0	0	0	0	110.8	V172 K174 C232 A233 V237 Q238 Y243 F245	V172-V235 HydrophobicContact CB-CG1 4.4Å; V172-V235 HydrophobicContact CG1-CB 4.13Å; V172-V235 HydrophobicContact CG1-CG1 3.8Å; V172-V235 HydrophobicContact CG1-CG2 3.83Å; K174-V235 HydrophobicContact CB-CG2 3.82Å; C232-V235 WeakPolarHBondContact O-CB 3.48Å; C232-V235 PolarHBondContact O-N 2.95Å; A233-V235 PolarHBondContact O-N 3.1Å; V235-V237 VanDerWaalsContact C-N 3.3Å; V235-V237 PolarHBondContact O-N 3.29Å; V235-Q238 PolarHBondContact O-N 3.27Å; V235-Y243 HydrophobicContact CG1-CD1 3.75Å; V235-Y243 HydrophobicContact CG1-CE1 4.41Å; V235-F245 HydrophobicContact CB-CE1 3.89Å; V235-F245 HydrophobicContact CB-CZ 3.94Å; V235-F245 HydrophobicContact CG1-CE1 3.83Å; V235-F245 HydrophobicContact CG1-CE2 4.07Å; V235-F245 HydrophobicContact CG1-CZ 3.41Å; V235-F245 VanDerWaalsContact CG1-CZ 3.41Å
236	C	95.7	Very high	95.2	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.014	8%	0.082	C	C	.	.	H	α-helix	trans	-64.8	-28.5	-177.5	-64.2	0	0	0	0	114.5	R199 N201 V205 C232 A233 L267	R199-C236 WeakPolarHBondContact CD-O 3.17Å; N201-C236 PolarHBondContact ND2-O 3.39Å; V205-C236 HydrophobicContact CG1-CB 3.95Å; V205-C236 HydrophobicContact CG2-CB 4.01Å; C232-C236 PolarHBondContact O-N 3.29Å; C232-C236 PolarHBondContact O-SG 2.98Å; A233-C236 PolarHBondContact O-N 3.4Å; C236-L267 HydrophobicContact CB-CD1 4.41Å; C236-L267 HydrophobicContact CB-CD2 3.88Å; C236-L267 WeakPolarHBondContact O-CD2 3.42Å
237	V	95.8	Very high	95.3	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.6	177.8	-59.9	0	0	0	0	113.8	L193 D197 D198 R199 N201 Q202 V205 A233 V235	L193-V237 HydrophobicContact CD2-CG1 4.21Å; L193-V237 HydrophobicContact CD2-CG2 3.99Å; D197-V237 HydrophobicContact CB-CB 4.14Å; D197-V237 HydrophobicContact CB-CG2 4.46Å; D198-V237 PolarHBondContact N-O 2.97Å; R199-V237 PolarHBondContact N-O 3.45Å; N201-V237 WeakPolarHBondContact OD1-CA 3.35Å; Q202-V237 HydrophobicContact CB-CG1 4.27Å; V205-V237 HydrophobicContact CB-CG1 4.15Å; V205-V237 HydrophobicContact CG1-CG1 4.16Å; V205-V237 HydrophobicContact CG2-CG1 4.2Å; A233-V237 WeakPolarHBondContact O-CG1 3.5Å; A233-V237 WeakPolarHBondContact O-CG2 3.31Å; A233-V237 PolarHBondContact O-N 2.96Å; V235-V237 VanDerWaalsContact C-N 3.3Å; V235-V237 PolarHBondContact O-N 3.29Å
238	Q	95.6	Very high	95.3	Very high	25 Å²	25	15.9 Å²	15.9	12%	0.117	8%	0.077	C	C	.	.	S	Bend	trans	-88.4	139.8	-179.7	-75.7	179.4	75.6	0	0	111.2	V172 K196 R199 M234 V235 Y243	V172-Q238 HydrophobicContact CG2-CB 4.28Å; K196-Q238 HydrophobicContact CB-CG 4.04Å; K196-Q238 WeakPolarHBondContact O-CG 3.45Å; R199-Q238 WeakPolarHBondContact CD-O 3.29Å; M234-Q238 WeakPolarHBondContact O-CG 3.47Å; M234-Q238 PolarHBondContact O-NE2 3.05Å; V235-Q238 PolarHBondContact O-N 3.27Å; Q238-Y243 WeakPolarHBondContact O-CE1 3.34Å; Q238-Y243 PolarHBondContact O-OH 2.72Å
239	K	94.1	Very high	95.2	Very high	136 Å²	136	16 Å²	16	59%	0.591	8%	0.078	S	C	*	.			trans	-83.8	119.1	168.8	-170.8	174.3	-177.5	176.6	0	109.6	R170 D198 R199	R170-K239 VanDerWaalsContact CD-O 3.32Å; R170-K239 WeakPolarHBondContact CD-O 3.41Å; R170-K239 VanDerWaalsContact CZ-O 3.3Å; R170-K239 PolarHBondContact NE-O 2.77Å; R170-K239 PolarHBondContact NH1-O 2.62Å; D198-K239 HydrophobicContact CB-CB 4.05Å; R199-K239 HydrophobicContact CG-CB 4.06Å
240	A	93.9	Very high	94.9	Very high	8 Å²	8	16.6 Å²	16.6	7%	0.066	9%	0.085	C	C	.	.			trans	-146.8	155.1	-176.5	0	0	0	0	0	110.7	R170 V172 Y243	R170-A240 HydrophobicContact CG-CB 4.33Å; R170-A240 WeakPolarHBondContact O-CB 3.47Å; V172-A240 HydrophobicContact CB-CB 4.08Å; V172-A240 HydrophobicContact CG2-CB 3.53Å; A240-Y243 HydrophobicContact CB-CD1 4.24Å; A240-Y243 HydrophobicContact CB-CE1 3.77Å; A240-Y243 HydrophobicContact CB-CE2 4.19Å; A240-Y243 PolarHBondContact N-OH 2.77Å; A240-Y243 WeakPolarHBondContact O-CE2 3.28Å
241	D	94.5	Very high	94.5	Very high	63 Å²	63	20.1 Å²	20.1	34%	0.337	10%	0.099	S	C	.	.	S	Bend	trans	-85.9	-27.8	175.9	-51.1	-70.1	0	0	0	111.2	L169 R170 N272 Y273	L169-D241 WeakPolarHBondContact CA-OD2 3.4Å; L169-D241 HydrophobicContact CB-CB 4.04Å; L169-D241 HydrophobicContact CD2-CB 3.8Å; L169-D241 HydrophobicContact CG-CB 4.35Å; R170-D241 PolarHBondContact N-OD2 3.44Å; R170-D241 PolarHBondContact O-N 2.97Å; D241-N272 CarbonylContact O-C 3.54Å; D241-N272 VanDerWaalsContact O-CA 3.29Å; D241-N272 WeakPolarHBondContact O-CA 3.42Å; D241-N272 WeakPolarHBondContact O-CB 3.46Å; D241-Y273 PolarHBondContact O-N 3.34Å
242	I	95.5	Very high	94.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116.2	-179	-56	154.4	0	0	0	109.2	Y160 I164 L169 R170 A171 V172 M244 Y273	Y160-I242 HydrophobicContact CE2-CD1 4.08Å; Y160-I242 HydrophobicContact CE2-CG1 4.26Å; Y160-I242 VanDerWaalsContact OH-CD1 3.26Å; Y160-I242 WeakPolarHBondContact OH-CD1 3.36Å; I164-I242 HydrophobicContact CD1-CD1 4.19Å; I164-I242 HydrophobicContact CG1-CD1 4.1Å; L169-I242 HydrophobicContact CB-CD1 3.87Å; L169-I242 HydrophobicContact CD1-CD1 3.9Å; L169-I242 HydrophobicContact CD1-CG1 4.36Å; R170-I242 PolarHBondContact O-N 3.45Å; R170-I242 VanDerWaalsContact O-N 3.16Å; A171-I242 WeakPolarHBondContact CA-O 3.23Å; A171-I242 HydrophobicContact CB-CB 4.09Å; A171-I242 HydrophobicContact CB-CD1 4.33Å; A171-I242 HydrophobicContact CB-CG2 4.48Å; V172-I242 PolarHBondContact N-O 3.03Å; I242-M244 HydrophobicContact CG2-CE 3.37Å; I242-M244 HydrophobicContact CG2-CG 4.06Å; I242-Y273 WeakPolarHBondContact CA-O 3.41Å; I242-Y273 HydrophobicContact CG1-CD2 3.9Å; I242-Y273 HydrophobicContact CG1-CG 4.44Å
243	Y	97.1	Very high	94.1	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.4	174.5	-65.3	-82.2	0	0	0	110.2	R199 V235 Q238 A240 L267 Y273 V274 I275	R199-Y243 PolarHBondContact NH1-OH 3.47Å; V235-Y243 HydrophobicContact CG1-CD1 3.75Å; V235-Y243 HydrophobicContact CG1-CE1 4.41Å; Q238-Y243 WeakPolarHBondContact O-CE1 3.34Å; Q238-Y243 PolarHBondContact O-OH 2.72Å; A240-Y243 HydrophobicContact CB-CD1 4.24Å; A240-Y243 HydrophobicContact CB-CE1 3.77Å; A240-Y243 HydrophobicContact CB-CE2 4.19Å; A240-Y243 PolarHBondContact N-OH 2.77Å; A240-Y243 WeakPolarHBondContact O-CE2 3.28Å; Y243-L267 HydrophobicContact CD1-CD1 3.87Å; Y243-L267 HydrophobicContact CD2-CB 4.44Å; Y243-L267 HydrophobicContact CE1-CD1 4.16Å; Y243-L267 HydrophobicContact CE2-CB 4.46Å; Y243-L267 HydrophobicContact CG-CD1 4.15Å; Y243-Y273 PolarHBondContact N-O 3.25Å; Y243-V274 HydrophobicContact CD2-CG2 4.44Å; Y243-V274 WeakPolarHBondContact O-CA 3.49Å; Y243-I275 PolarHBondContact O-N 2.89Å
244	M	97	Very high	93.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.1	177.4	-57.9	-171.2	-172.9	0	0	111.6	L125 L128 A129 V172 I173 K174 I242 I275	L125-M244 HydrophobicContact CB-SD 4.1Å; L125-M244 HydrophobicContact CD2-CB 4.45Å; L125-M244 HydrophobicContact CD2-CG 4.43Å; L125-M244 HydrophobicContact CD2-SD 3.91Å; L128-M244 VanDerWaalsContact C-CE 3.41Å; L128-M244 HydrophobicContact CB-CE 3.63Å; A129-M244 HydrophobicContact CB-CE 3.73Å; A129-M244 HydrophobicContact CB-SD 3.87Å; V172-M244 PolarHBondContact O-N 2.75Å; I173-M244 WeakPolarHBondContact CA-O 3.25Å; I173-M244 HydrophobicContact CB-CB 4.37Å; I173-M244 HydrophobicContact CD1-SD 4.37Å; I173-M244 HydrophobicContact CG1-CB 4.17Å; I173-M244 HydrophobicContact CG1-CG 4.49Å; I173-M244 HydrophobicContact CG1-SD 4.24Å; I173-M244 HydrophobicContact CG2-CB 4.09Å; K174-M244 PolarHBondContact N-O 2.7Å; I242-M244 HydrophobicContact CG2-CE 3.37Å; I242-M244 HydrophobicContact CG2-CG 4.06Å; M244-I275 CarbonylContact C-O 3.57Å; M244-I275 VanDerWaalsContact CA-O 3.29Å; M244-I275 WeakPolarHBondContact CA-O 3.45Å; M244-I275 HydrophobicContact CE-CD1 3.86Å; M244-I275 HydrophobicContact CG-CB 4.38Å; M244-I275 HydrophobicContact CG-CD1 4.35Å
245	F	96.9	Very high	93.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	113.6	176.3	-63.5	-94.9	0	0	0	110.5	K174 C232 V235 P248 I264 L267 I275 V276 V277	K174-F245 HydrophobicContact CB-CD1 3.82Å; K174-F245 HydrophobicContact CB-CE1 4.37Å; K174-F245 HydrophobicContact CB-CG 4.49Å; K174-F245 HydrophobicContact CG-CD1 4.38Å; C232-F245 HydrophobicContact CB-CE1 4.4Å; V235-F245 HydrophobicContact CB-CE1 3.89Å; V235-F245 HydrophobicContact CB-CZ 3.94Å; V235-F245 HydrophobicContact CG1-CE1 3.83Å; V235-F245 HydrophobicContact CG1-CE2 4.07Å; V235-F245 HydrophobicContact CG1-CZ 3.41Å; V235-F245 VanDerWaalsContact CG1-CZ 3.41Å; F245-P248 HydrophobicContact CB-CB 4.24Å; F245-P248 HydrophobicContact CB-CG 3.99Å; F245-P248 HydrophobicContact CD1-CB 4.48Å; F245-I264 HydrophobicContact CB-CD1 4.31Å; F245-I264 HydrophobicContact CD1-CD1 3.78Å; F245-I264 HydrophobicContact CD1-CG1 4.04Å; F245-I264 HydrophobicContact CD2-CD1 4.13Å; F245-I264 HydrophobicContact CD2-CG1 4.11Å; F245-I264 HydrophobicContact CD2-CG2 3.86Å; F245-I264 HydrophobicContact CE1-CD1 4.09Å; F245-I264 HydrophobicContact CE1-CG1 3.82Å; F245-I264 HydrophobicContact CE2-CB 4.37Å; F245-I264 HydrophobicContact CE2-CD1 4.41Å; F245-I264 HydrophobicContact CE2-CG1 3.9Å; F245-I264 HydrophobicContact CE2-CG2 3.76Å; F245-I264 HydrophobicContact CG-CD1 3.81Å; F245-I264 HydrophobicContact CG-CG1 4.18Å; F245-I264 HydrophobicContact CZ-CD1 4.4Å; F245-I264 HydrophobicContact CZ-CG1 3.75Å; F245-I264 HydrophobicContact CZ-CG2 4.42Å; F245-L267 HydrophobicContact CE2-CD1 3.88Å; F245-L267 HydrophobicContact CZ-CD1 3.66Å; F245-I275 PolarHBondContact N-O 2.85Å; F245-V276 HydrophobicContact CB-CG1 4.32Å; F245-V276 HydrophobicContact CB-CG2 4.1Å; F245-V276 HydrophobicContact CD2-CG2 4.15Å; F245-V276 WeakPolarHBondContact O-CA 3.28Å; F245-V277 PolarHBondContact O-N 3.49Å
246	D	94.7	Very high	93.7	Very high	9 Å²	9	22.2 Å²	22.2	5%	0.048	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	107.3	172.3	-152.9	-8.9	0	0	0	109.6	S122 L125 K174 Q176 V277	S122-D246 PolarHBondContact OG-OD2 2.78Å; L125-D246 HydrophobicContact CD1-CB 3.9Å; K174-D246 WeakPolarHBondContact CD-O 3.46Å; K174-D246 PolarHBondContact NZ-O 3.5Å; K174-D246 PolarHBondContact O-N 3.5Å; Q176-D246 HydrophobicContact CB-CB 4.14Å; D246-V277 WeakPolarHBondContact OD1-CB 3.44Å; D246-V277 WeakPolarHBondContact OD1-CG1 3.32Å
247	E	93.6	Very high	93.6	Very high	16 Å²	16	22.9 Å²	22.9	8%	0.075	11%	0.109	C	C	.	.	S	Bend	trans	52.9	62.9	178.5	-64.4	168.9	-167.2	0	0	113.2	K121 K174 Q176 Q228 S249 V277 H279	K121-E247 IonicContact NZ-OE1 3.05Å; K121-E247 PolarHBondContact NZ-OE1 3.37Å; K121-E247 VanDerWaalsContact NZ-OE1 3.08Å; K174-E247 PolarHBondContact NZ-O 2.99Å; Q176-E247 PolarHBondContact NE2-OE1 3.18Å; Q176-E247 VanDerWaalsContact NE2-OE1 3.11Å; Q176-E247 PolarHBondContact NE2-OE2 3.39Å; Q228-E247 PolarHBondContact NE2-O 3.11Å; E247-S249 VanDerWaalsContact C-N 3.29Å; E247-S249 PolarHBondContact O-N 2.92Å; E247-V277 VanDerWaalsContact CA-O 3.25Å; E247-V277 WeakPolarHBondContact CA-O 3.24Å; E247-V277 HydrophobicContact CG-CG1 4.27Å; E247-V277 PolarHBondContact N-O 2.65Å; E247-H279 IonicContact OE1-CD2 3.36Å; E247-H279 PolarHBondContact OE1-CD2 3.07Å; E247-H279 VanDerWaalsContact OE1-CD2 3.25Å; E247-H279 IonicContact OE1-NE2 3.77Å; E247-H279 PolarHBondContact OE1-NE2 3.25Å
248	P	95	Very high	93.4	Very high	3 Å²	3	23 Å²	23	2%	0.019	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.1	-180	25.2	-33	0	0	0	114.5	Q228 F245 L252 T260 I264 V276 V277 E278	Q228-P248 WeakPolarHBondContact CG-O 3.48Å; Q228-P248 PolarHBondContact NE2-O 3.07Å; F245-P248 HydrophobicContact CB-CB 4.24Å; F245-P248 HydrophobicContact CB-CG 3.99Å; F245-P248 HydrophobicContact CD1-CB 4.48Å; P248-L252 VanDerWaalsContact O-CD1 3.27Å; P248-L252 WeakPolarHBondContact O-CD1 3.39Å; P248-T260 HydrophobicContact CB-CG2 4.07Å; P248-I264 HydrophobicContact CB-CD1 3.76Å; P248-I264 HydrophobicContact CG-CD1 3.87Å; P248-V276 HydrophobicContact CG-CG1 3.8Å; P248-V277 WeakPolarHBondContact CD-O 3.31Å; P248-E278 WeakPolarHBondContact CD-OE1 3.27Å; P248-E278 HydrophobicContact CG-CG 4.18Å; P248-E278 VanDerWaalsContact CG-OE1 3.3Å; P248-E278 WeakPolarHBondContact CG-OE1 3.49Å
249	S	92.6	Very high	93.3	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.014	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.8	-178.3	69.8	0	0	0	0	115.3	E247 L252 R257 E278	E247-S249 VanDerWaalsContact C-N 3.29Å; E247-S249 PolarHBondContact O-N 2.92Å; S249-L252 WeakPolarHBondContact O-CB 3.42Å; S249-L252 PolarHBondContact O-N 3.42Å; S249-L252 VanDerWaalsContact O-N 3.16Å; S249-R257 PolarHBondContact O-NE 3.21Å; S249-E278 WeakPolarHBondContact CA-OE1 3.32Å; S249-E278 WeakPolarHBondContact CB-OE1 3.45Å; S249-E278 PolarHBondContact N-OE1 3Å; S249-E278 PolarHBondContact OG-OE1 3.21Å; S249-E278 PolarHBondContact OG-OE2 3.2Å
250	S	89.2	Confident	93.4	Very high	32 Å²	32	17.5 Å²	17.5	22%	0.224	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	138.9	-177.6	-70.4	0	0	0	0	112	Q228 L252	Q228-S250 VanDerWaalsContact CG-O 3.24Å; Q228-S250 WeakPolarHBondContact CG-O 3.46Å; S250-L252 PolarHBondContact O-N 2.81Å
251	Y	86.7	Confident	93.4	Very high	80 Å²	80	17.2 Å²	17.2	31%	0.314	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	-3.3	-176.4	-54.2	-73.5	0	0	0	116.5	V178 D179 N386 Y496	V178-Y251 HydrophobicContact CG2-CD2 4.06Å; V178-Y251 HydrophobicContact CG2-CE2 3.88Å; D179-Y251 PolarHBondContact OD2-OH 2.87Å; Y251-N386 PolarHBondContact O-ND2 3.16Å; Y251-Y496 HydrophobicContact CE1-CE1 4.26Å; Y251-Y496 WeakPolarHBondContact CE1-OH 3.39Å; Y251-Y496 PolarHBondContact OH-OH 2.84Å
252	L	92.4	Very high	93.4	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.076	C	C	.	.			trans	-91.2	142.3	-177.4	-55	-170.5	0	0	0	111.2	Q228 R229 P248 S249 S250 Q256 R257 T260	Q228-L252 HydrophobicContact CB-CD2 3.98Å; Q228-L252 HydrophobicContact CG-CD1 4.34Å; Q228-L252 HydrophobicContact CG-CD2 3.95Å; Q228-L252 HydrophobicContact CG-CG 4.08Å; R229-L252 HydrophobicContact CG-CD1 4.49Å; R229-L252 HydrophobicContact CG-CD2 3.67Å; P248-L252 VanDerWaalsContact O-CD1 3.27Å; P248-L252 WeakPolarHBondContact O-CD1 3.39Å; S249-L252 WeakPolarHBondContact O-CB 3.42Å; S249-L252 PolarHBondContact O-N 3.42Å; S249-L252 VanDerWaalsContact O-N 3.16Å; S250-L252 PolarHBondContact O-N 2.81Å; L252-Q256 HydrophobicContact CB-CB 3.87Å; L252-Q256 HydrophobicContact CD1-CB 4.36Å; L252-Q256 HydrophobicContact CD2-CB 4.31Å; L252-Q256 HydrophobicContact CG-CB 4.4Å; L252-R257 HydrophobicContact CB-CG 3.69Å; L252-R257 PolarHBondContact O-NE 2.89Å; L252-R257 PolarHBondContact O-NH2 2.82Å; L252-T260 HydrophobicContact CD1-CG2 4.34Å; L252-T260 VanDerWaalsContact CD1-OG1 3.26Å; L252-T260 WeakPolarHBondContact CD1-OG1 3.4Å
253	D	91	Very high	93.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.			trans	-72.5	172.7	164.7	65.3	45.1	0	0	0	111.6	K255 Q256 R257 E385 N386 H525	D253-K255 VanDerWaalsContact C-N 3.33Å; D253-K255 PolarHBondContact O-N 2.82Å; D253-K255 PolarHBondContact OD1-N 3.28Å; D253-K255 VanDerWaalsContact OD1-N 3.09Å; D253-Q256 PolarHBondContact O-N 3.1Å; D253-Q256 WeakPolarHBondContact OD1-CB 3.32Å; D253-Q256 VanDerWaalsContact OD1-CG 3.26Å; D253-Q256 WeakPolarHBondContact OD1-CG 3.45Å; D253-Q256 PolarHBondContact OD1-N 3.3Å; D253-Q256 VanDerWaalsContact OD2-CD 3.31Å; D253-Q256 PolarHBondContact OD2-NE2 3.46Å; D253-R257 VanDerWaalsContact O-CG 3.24Å; D253-R257 WeakPolarHBondContact O-CG 3.48Å; D253-R257 PolarHBondContact O-N 2.99Å; D253-E385 WeakPolarHBondContact OD2-CA 3.2Å; D253-N386 HydrophobicContact CB-CB 4.39Å; D253-N386 PolarHBondContact OD2-N 3.11Å; D253-H525 WeakPolarHBondContact CB-CE1 3.34Å
254	V	91.1	Very high	93.3	Very high	5 Å²	5	16.2 Å²	16.2	3%	0.03	8%	0.077	C	C	.	.	H	α-helix	trans	-54.8	-46.5	-175.6	175.7	0	0	0	0	112.5	R257 L258 H525 F527 F563 L567	V254-R257 PolarHBondContact O-N 2.85Å; V254-L258 HydrophobicContact CG1-CD1 3.81Å; V254-L258 VanDerWaalsContact O-CD1 3.23Å; V254-L258 WeakPolarHBondContact O-CD1 3.47Å; V254-L258 VanDerWaalsContact O-CG 3.31Å; V254-L258 WeakPolarHBondContact O-CG 3.31Å; V254-L258 PolarHBondContact O-N 3.2Å; V254-H525 HydrophobicContact CG2-CB 4.46Å; V254-H525 WeakPolarHBondContact CG2-O 3.3Å; V254-F527 HydrophobicContact CB-CE2 4.44Å; V254-F527 HydrophobicContact CB-CZ 4.5Å; V254-F527 HydrophobicContact CG1-CD2 4.24Å; V254-F527 HydrophobicContact CG1-CE1 4.31Å; V254-F527 HydrophobicContact CG1-CE2 3.23Å; V254-F527 HydrophobicContact CG1-CZ 3.27Å; V254-F527 HydrophobicContact CG2-CE2 4.43Å; V254-F527 HydrophobicContact CG2-CZ 4.46Å; V254-F563 HydrophobicContact CB-CE1 4.31Å; V254-F563 HydrophobicContact CB-CZ 3.96Å; V254-F563 HydrophobicContact CG1-CE1 4.04Å; V254-F563 HydrophobicContact CG1-CZ 4.1Å; V254-F563 HydrophobicContact CG2-CE1 4.17Å; V254-F563 HydrophobicContact CG2-CZ 4.01Å; V254-L567 HydrophobicContact CB-CD1 4.33Å; V254-L567 HydrophobicContact CG1-CD1 3.45Å; V254-L567 VanDerWaalsContact CG1-CD1 3.45Å
255	K	91.6	Very high	93.1	Very high	63 Å²	63	19.9 Å²	19.9	27%	0.274	9%	0.091	S	C	.	.	H	α-helix	trans	-66.7	-45.8	-178.3	-173.3	-178.7	-179.1	-176.6	0	110.8	D253 R257 L258 K259 E385 L567	D253-K255 VanDerWaalsContact C-N 3.33Å; D253-K255 PolarHBondContact O-N 2.82Å; D253-K255 PolarHBondContact OD1-N 3.28Å; D253-K255 VanDerWaalsContact OD1-N 3.09Å; K255-R257 VanDerWaalsContact C-N 3.33Å; K255-R257 PolarHBondContact O-N 2.85Å; K255-L258 PolarHBondContact O-N 2.69Å; K255-K259 HydrophobicContact CG-CD 4.36Å; K255-K259 WeakPolarHBondContact O-CB 3.26Å; K255-K259 PolarHBondContact O-N 3.4Å; K255-E385 HydrophobicContact CB-CG 4.21Å; K255-E385 HydrophobicContact CD-CG 4.06Å; K255-E385 WeakPolarHBondContact CD-OE1 3.27Å; K255-E385 WeakPolarHBondContact CD-OE2 3.5Å; K255-E385 WeakPolarHBondContact CE-OE1 3.46Å; K255-E385 IonicContact NZ-OE1 2.7Å; K255-E385 PolarHBondContact NZ-OE1 3.11Å; K255-E385 IonicContact NZ-OE2 3.81Å; K255-E385 PolarHBondContact NZ-OE2 2.84Å; K255-L567 HydrophobicContact CB-CD2 3.58Å; K255-L567 HydrophobicContact CD-CD2 4.26Å; K255-L567 HydrophobicContact CG-CD2 3.9Å
256	Q	93.5	Very high	92.9	Very high	19 Å²	19	24.5 Å²	24.5	9%	0.089	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-38.2	178.3	-70	170.8	-1.3	0	0	111.7	L252 D253 L258 T260	L252-Q256 HydrophobicContact CB-CB 3.87Å; L252-Q256 HydrophobicContact CD1-CB 4.36Å; L252-Q256 HydrophobicContact CD2-CB 4.31Å; L252-Q256 HydrophobicContact CG-CB 4.4Å; D253-Q256 PolarHBondContact O-N 3.1Å; D253-Q256 WeakPolarHBondContact OD1-CB 3.32Å; D253-Q256 VanDerWaalsContact OD1-CG 3.26Å; D253-Q256 WeakPolarHBondContact OD1-CG 3.45Å; D253-Q256 PolarHBondContact OD1-N 3.3Å; D253-Q256 VanDerWaalsContact OD2-CD 3.31Å; D253-Q256 PolarHBondContact OD2-NE2 3.46Å; Q256-L258 VanDerWaalsContact C-N 3.31Å; Q256-L258 PolarHBondContact O-N 2.9Å; Q256-T260 VanDerWaalsContact O-CB 3.26Å; Q256-T260 WeakPolarHBondContact O-CB 3.44Å; Q256-T260 PolarHBondContact O-N 3.42Å; Q256-T260 PolarHBondContact O-OG1 2.88Å
257	R	94.3	Very high	92.9	Very high	16 Å²	16	24.2 Å²	24.2	6%	0.06	11%	0.111	C	C	.	.	H	α-helix	trans	-58.1	-44.6	173.5	-72.9	178.5	-169.4	-169.5	5.1	111.4	S249 L252 D253 V254 K255 T260 A261 D280 V283 H525	S249-R257 PolarHBondContact O-NE 3.21Å; L252-R257 HydrophobicContact CB-CG 3.69Å; L252-R257 PolarHBondContact O-NE 2.89Å; L252-R257 PolarHBondContact O-NH2 2.82Å; D253-R257 VanDerWaalsContact O-CG 3.24Å; D253-R257 WeakPolarHBondContact O-CG 3.48Å; D253-R257 PolarHBondContact O-N 2.99Å; V254-R257 PolarHBondContact O-N 2.85Å; K255-R257 VanDerWaalsContact C-N 3.33Å; K255-R257 PolarHBondContact O-N 2.85Å; R257-T260 PolarHBondContact O-N 3.4Å; R257-A261 WeakPolarHBondContact O-CB 3.46Å; R257-A261 PolarHBondContact O-N 3.05Å; R257-D280 IonicContact CZ-OD2 3.29Å; R257-D280 IonicContact NH1-OD2 3.98Å; R257-D280 PolarHBondContact NH1-OD2 2.98Å; R257-V283 HydrophobicContact CB-CG2 3.87Å; R257-V283 HydrophobicContact CG-CG2 4.42Å; R257-H525 PolarHBondContact NH1-O 3.05Å
258	L	92.1	Very high	92.9	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-74.4	-43.3	-176.1	-66.2	157.1	0	0	0	111.4	V254 K255 Q256 T260 A261 I262 F527 I569 I582	V254-L258 HydrophobicContact CG1-CD1 3.81Å; V254-L258 VanDerWaalsContact O-CD1 3.23Å; V254-L258 WeakPolarHBondContact O-CD1 3.47Å; V254-L258 VanDerWaalsContact O-CG 3.31Å; V254-L258 WeakPolarHBondContact O-CG 3.31Å; V254-L258 PolarHBondContact O-N 3.2Å; K255-L258 PolarHBondContact O-N 2.69Å; Q256-L258 VanDerWaalsContact C-N 3.31Å; Q256-L258 PolarHBondContact O-N 2.9Å; L258-T260 VanDerWaalsContact C-N 3.33Å; L258-T260 PolarHBondContact O-N 3.19Å; L258-A261 WeakPolarHBondContact O-CB 3.42Å; L258-A261 PolarHBondContact O-N 3.18Å; L258-A261 VanDerWaalsContact O-N 3.13Å; L258-I262 VanDerWaalsContact O-CG1 3.3Å; L258-I262 WeakPolarHBondContact O-CG1 3.41Å; L258-I262 PolarHBondContact O-N 2.92Å; L258-F527 HydrophobicContact CD1-CE2 4.28Å; L258-I569 HydrophobicContact CB-CD1 3.79Å; L258-I569 HydrophobicContact CD1-CD1 3.1Å; L258-I569 HydrophobicContact CD1-CG1 4.48Å; L258-I569 HydrophobicContact CD2-CD1 4.02Å; L258-I569 HydrophobicContact CG-CD1 3.76Å; L258-I582 HydrophobicContact CD2-CD1 3.76Å
259	K	93.7	Very high	92.7	Very high	43 Å²	43	29.3 Å²	29.3	19%	0.187	14%	0.136	C	C	.	.	H	α-helix	trans	-56.4	-45.2	169.6	-78.1	-177.9	163.6	-161.3	0	112.4	M208 D210 K255 A261 I262 A263	M208-K259 WeakPolarHBondContact O-CB 3.27Å; M208-K259 WeakPolarHBondContact O-CD 3.38Å; D210-K259 IonicContact OD1-NZ 3.59Å; D210-K259 PolarHBondContact OD1-NZ 3.13Å; D210-K259 WeakPolarHBondContact OD2-CD 3.43Å; D210-K259 IonicContact OD2-NZ 2.82Å; D210-K259 PolarHBondContact OD2-NZ 3.34Å; K255-K259 HydrophobicContact CG-CD 4.36Å; K255-K259 WeakPolarHBondContact O-CB 3.26Å; K255-K259 PolarHBondContact O-N 3.4Å; K259-A261 VanDerWaalsContact C-N 3.32Å; K259-A261 PolarHBondContact O-N 2.91Å; K259-I262 PolarHBondContact O-N 3.37Å; K259-A263 WeakPolarHBondContact O-CB 3.29Å; K259-A263 PolarHBondContact O-N 3.04Å
260	T	95.4	Very high	92.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-41.5	175.2	-56.8	0	0	0	0	111.3	C232 P248 L252 Q256 R257 L258 A263 I264	C232-T260 HydrophobicContact CB-CG2 4.17Å; P248-T260 HydrophobicContact CB-CG2 4.07Å; L252-T260 HydrophobicContact CD1-CG2 4.34Å; L252-T260 VanDerWaalsContact CD1-OG1 3.26Å; L252-T260 WeakPolarHBondContact CD1-OG1 3.4Å; Q256-T260 VanDerWaalsContact O-CB 3.26Å; Q256-T260 WeakPolarHBondContact O-CB 3.44Å; Q256-T260 PolarHBondContact O-N 3.42Å; Q256-T260 PolarHBondContact O-OG1 2.88Å; R257-T260 PolarHBondContact O-N 3.4Å; L258-T260 VanDerWaalsContact C-N 3.33Å; L258-T260 PolarHBondContact O-N 3.19Å; T260-A263 PolarHBondContact O-N 3.22Å; T260-I264 HydrophobicContact CG2-CD1 3.97Å; T260-I264 VanDerWaalsContact O-CG1 3.26Å; T260-I264 WeakPolarHBondContact O-CG1 3.42Å; T260-I264 PolarHBondContact O-N 2.75Å
261	A	94.4	Very high	92.7	Very high	2 Å²	2	36 Å²	36	2%	0.017	19%	0.189	C	C	.	.	H	α-helix	trans	-65.5	-39.5	177.8	0	0	0	0	0	112.6	R257 L258 K259 I264 R265 V283 Y286 L287	R257-A261 WeakPolarHBondContact O-CB 3.46Å; R257-A261 PolarHBondContact O-N 3.05Å; L258-A261 WeakPolarHBondContact O-CB 3.42Å; L258-A261 PolarHBondContact O-N 3.18Å; L258-A261 VanDerWaalsContact O-N 3.13Å; K259-A261 VanDerWaalsContact C-N 3.32Å; K259-A261 PolarHBondContact O-N 2.91Å; A261-I264 PolarHBondContact O-N 2.87Å; A261-R265 WeakPolarHBondContact O-CG 3.31Å; A261-R265 PolarHBondContact O-N 2.81Å; A261-V283 HydrophobicContact CB-CG1 4.17Å; A261-Y286 HydrophobicContact CB-CD1 3.77Å; A261-Y286 HydrophobicContact CB-CE1 4.08Å; A261-L287 HydrophobicContact CB-CB 4.39Å; A261-L287 HydrophobicContact CB-CD1 4.11Å
262	I	93.2	Very high	93.1	Very high	38 Å²	38	32.2 Å²	32.2	20%	0.195	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-50.9	172.9	-66.8	162.6	0	0	0	109.9	M208 L258 K259 I264 R265 E266 Y286	M208-I262 HydrophobicContact SD-CB 4.43Å; M208-I262 HydrophobicContact SD-CG2 3.85Å; L258-I262 VanDerWaalsContact O-CG1 3.3Å; L258-I262 WeakPolarHBondContact O-CG1 3.41Å; L258-I262 PolarHBondContact O-N 2.92Å; K259-I262 PolarHBondContact O-N 3.37Å; I262-I264 VanDerWaalsContact C-N 3.28Å; I262-I264 PolarHBondContact O-N 2.75Å; I262-R265 PolarHBondContact O-N 3.47Å; I262-E266 HydrophobicContact CG2-CG 4.45Å; I262-E266 PolarHBondContact O-N 3.07Å; I262-Y286 HydrophobicContact CG1-CE1 3.89Å; I262-Y286 WeakPolarHBondContact CG1-OH 3.38Å
263	A	94.9	Very high	93.2	Very high	5 Å²	5	32.8 Å²	32.8	4%	0.041	18%	0.177	C	C	.	.	H	α-helix	trans	-56.8	-40.2	179.1	0	0	0	0	0	112.6	M208 L209 K259 T260 E266	M208-A263 HydrophobicContact CG-CB 3.93Å; L209-A263 HydrophobicContact CD2-CB 4.03Å; L209-A263 HydrophobicContact CG-CB 4.44Å; K259-A263 WeakPolarHBondContact O-CB 3.29Å; K259-A263 PolarHBondContact O-N 3.04Å; T260-A263 PolarHBondContact O-N 3.22Å; A263-E266 PolarHBondContact O-N 2.82Å
264	I	95.7	Very high	93.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-42.1	176.2	-67	167.3	0	0	0	111	F245 P248 T260 A261 I262 E266 L267 V274 V276 L287	F245-I264 HydrophobicContact CB-CD1 4.31Å; F245-I264 HydrophobicContact CD1-CD1 3.78Å; F245-I264 HydrophobicContact CD1-CG1 4.04Å; F245-I264 HydrophobicContact CD2-CD1 4.13Å; F245-I264 HydrophobicContact CD2-CG1 4.11Å; F245-I264 HydrophobicContact CD2-CG2 3.86Å; F245-I264 HydrophobicContact CE1-CD1 4.09Å; F245-I264 HydrophobicContact CE1-CG1 3.82Å; F245-I264 HydrophobicContact CE2-CB 4.37Å; F245-I264 HydrophobicContact CE2-CD1 4.41Å; F245-I264 HydrophobicContact CE2-CG1 3.9Å; F245-I264 HydrophobicContact CE2-CG2 3.76Å; F245-I264 HydrophobicContact CG-CD1 3.81Å; F245-I264 HydrophobicContact CG-CG1 4.18Å; F245-I264 HydrophobicContact CZ-CD1 4.4Å; F245-I264 HydrophobicContact CZ-CG1 3.75Å; F245-I264 HydrophobicContact CZ-CG2 4.42Å; P248-I264 HydrophobicContact CB-CD1 3.76Å; P248-I264 HydrophobicContact CG-CD1 3.87Å; T260-I264 HydrophobicContact CG2-CD1 3.97Å; T260-I264 VanDerWaalsContact O-CG1 3.26Å; T260-I264 WeakPolarHBondContact O-CG1 3.42Å; T260-I264 PolarHBondContact O-N 2.75Å; A261-I264 PolarHBondContact O-N 2.87Å; I262-I264 VanDerWaalsContact C-N 3.28Å; I262-I264 PolarHBondContact O-N 2.75Å; I264-E266 VanDerWaalsContact C-N 3.31Å; I264-E266 PolarHBondContact O-N 3.2Å; I264-L267 WeakPolarHBondContact O-CB 3.33Å; I264-L267 PolarHBondContact O-N 3.31Å; I264-V274 HydrophobicContact CG2-CG1 3.84Å; I264-V276 HydrophobicContact CG2-CG2 4.03Å; I264-L287 HydrophobicContact CB-CD1 4.06Å; I264-L287 HydrophobicContact CD1-CD1 3.94Å; I264-L287 HydrophobicContact CG2-CD1 3.96Å
265	R	93.4	Very high	93.8	Very high	78 Å²	78	32.5 Å²	32.5	29%	0.294	18%	0.175	S	C	.	.	H	α-helix	trans	-66.7	-31.5	177.8	-74.2	-165.2	75.3	-106.2	-4.6	112.8	A261 I262 L267 L268	A261-R265 WeakPolarHBondContact O-CG 3.31Å; A261-R265 PolarHBondContact O-N 2.81Å; I262-R265 PolarHBondContact O-N 3.47Å; R265-L267 PolarHBondContact O-N 3.12Å; R265-L268 WeakPolarHBondContact O-CB 3.49Å; R265-L268 PolarHBondContact O-N 2.86Å; R265-L268 VanDerWaalsContact O-N 3.11Å
266	E	93.3	Very high	94.1	Very high	96 Å²	96	29.5 Å²	29.5	45%	0.449	16%	0.162	S	C	.	.	H	α-helix	trans	-66.3	-18.3	174.6	-73.8	-175.9	171.2	0	0	113.2	H204 I262 A263 I264 L268	H204-E266 IonicContact CD2-OE2 3.36Å; H204-E266 IonicContact CE1-OE2 2.94Å; H204-E266 IonicContact NE2-OE1 2.97Å; H204-E266 IonicContact NE2-OE2 3.11Å; H204-E266 PolarHBondContact NE2-OE2 3.23Å; I262-E266 HydrophobicContact CG2-CG 4.45Å; I262-E266 PolarHBondContact O-N 3.07Å; A263-E266 PolarHBondContact O-N 2.82Å; I264-E266 VanDerWaalsContact C-N 3.31Å; I264-E266 PolarHBondContact O-N 3.2Å; E266-L268 PolarHBondContact O-N 3.44Å
267	L	93.3	Very high	94.2	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.016	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-17.6	173	-54.8	178.6	0	0	0	112.7	C236 Y243 F245 I264 R265 E269 N272	C236-L267 HydrophobicContact CB-CD1 4.41Å; C236-L267 HydrophobicContact CB-CD2 3.88Å; C236-L267 WeakPolarHBondContact O-CD2 3.42Å; Y243-L267 HydrophobicContact CD1-CD1 3.87Å; Y243-L267 HydrophobicContact CD2-CB 4.44Å; Y243-L267 HydrophobicContact CE1-CD1 4.16Å; Y243-L267 HydrophobicContact CE2-CB 4.46Å; Y243-L267 HydrophobicContact CG-CD1 4.15Å; F245-L267 HydrophobicContact CE2-CD1 3.88Å; F245-L267 HydrophobicContact CZ-CD1 3.66Å; I264-L267 WeakPolarHBondContact O-CB 3.33Å; I264-L267 PolarHBondContact O-N 3.31Å; R265-L267 PolarHBondContact O-N 3.12Å; L267-E269 PolarHBondContact O-N 2.85Å; L267-N272 PolarHBondContact O-ND2 3.03Å
268	L	93.9	Very high	94.2	Very high	46 Å²	46	27.9 Å²	27.9	24%	0.241	16%	0.155	C	C	.	.			trans	-68	121.1	-172.5	-164.8	69.3	0	0	0	111.1	G108 V110 R265 E266 V274	G108-L268 WeakPolarHBondContact O-CD2 3.41Å; V110-L268 HydrophobicContact CG2-CD1 3.95Å; V110-L268 HydrophobicContact CG2-CD2 4.08Å; R265-L268 WeakPolarHBondContact O-CB 3.49Å; R265-L268 PolarHBondContact O-N 2.86Å; R265-L268 VanDerWaalsContact O-N 3.11Å; E266-L268 PolarHBondContact O-N 3.44Å; L268-V274 HydrophobicContact CD1-CB 4.27Å; L268-V274 HydrophobicContact CD1-CG2 3.7Å
269	E	91.6	Very high	94.1	Very high	81 Å²	81	28 Å²	28	38%	0.379	16%	0.155	S	C	.	.			trans	-124.1	155.7	173.6	-63.4	173.5	-162.7	0	0	108	G108 R199 L267 T271 N272	G108-E269 VanDerWaalsContact CA-O 3.27Å; G108-E269 WeakPolarHBondContact CA-O 3.21Å; R199-E269 IonicContact CZ-OE1 2.92Å; R199-E269 IonicContact NH2-OE1 3.49Å; R199-E269 PolarHBondContact NH2-OE1 3.34Å; R199-E269 VanDerWaalsContact NH2-OE1 3.16Å; L267-E269 PolarHBondContact O-N 2.85Å; E269-T271 PolarHBondContact O-N 3.48Å; E269-N272 PolarHBondContact N-ND2 3.03Å; E269-N272 PolarHBondContact N-OD1 3.05Å; E269-N272 PolarHBondContact O-N 2.89Å; E269-N272 PolarHBondContact O-OD1 3.18Å; E269-N272 VanDerWaalsContact O-OD1 3.05Å
270	G	90	Very high	94.1	Very high	68 Å²	68	26 Å²	26	70%	0.701	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-11.9	-175.7	0	0	0	0	0	115.4
271	T	91	Very high	93.9	Very high	105 Å²	105	26.1 Å²	26.1	64%	0.644	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-18.2	-176.8	52.2	0	0	0	0	114.2	E269	E269-T271 PolarHBondContact O-N 3.48Å
272	N	94.5	Very high	93.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.011	15%	0.147	C	C	.	.			trans	-98.9	164.8	-171.9	72.5	14.7	0	0	0	112.4	P107 G108 D241 L267 E269	P107-N272 CarbonylContact C-O 3.56Å; P107-N272 VanDerWaalsContact CA-O 3.31Å; P107-N272 WeakPolarHBondContact CA-O 3.38Å; G108-N272 PolarHBondContact N-O 3.41Å; D241-N272 CarbonylContact O-C 3.54Å; D241-N272 VanDerWaalsContact O-CA 3.29Å; D241-N272 WeakPolarHBondContact O-CA 3.42Å; D241-N272 WeakPolarHBondContact O-CB 3.46Å; L267-N272 PolarHBondContact O-ND2 3.03Å; E269-N272 PolarHBondContact N-ND2 3.03Å; E269-N272 PolarHBondContact N-OD1 3.05Å; E269-N272 PolarHBondContact O-N 2.89Å; E269-N272 PolarHBondContact O-OD1 3.18Å; E269-N272 VanDerWaalsContact O-OD1 3.05Å
273	Y	95.3	Very high	93.8	Very high	12 Å²	12	24.5 Å²	24.5	5%	0.047	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.9	-179.5	-55.4	-94.7	0	0	0	109.3	P105 R106 P107 Y160 K163 L169 D241 I242 Y243	P105-Y273 HydrophobicContact CB-CD1 3.94Å; P105-Y273 HydrophobicContact CG-CD1 4.31Å; R106-Y273 VanDerWaalsContact C-CD1 3.41Å; R106-Y273 WeakPolarHBondContact O-CD1 3.33Å; P107-Y273 HydrophobicContact CB-CE1 4.05Å; P107-Y273 HydrophobicContact CG-CE1 4.34Å; Y160-Y273 HydrophobicContact CD2-CD1 4.21Å; Y160-Y273 AromaticContact CD2-CE1 3.92Å; Y160-Y273 HydrophobicContact CD2-CE1 3.92Å; Y160-Y273 HydrophobicContact CD2-CE2 4.4Å; Y160-Y273 HydrophobicContact CE2-CD1 4.12Å; Y160-Y273 HydrophobicContact CE2-CD2 4.2Å; Y160-Y273 HydrophobicContact CE2-CE1 4.26Å; Y160-Y273 HydrophobicContact CE2-CE2 4.38Å; Y160-Y273 HydrophobicContact CE2-CG 4.08Å; K163-Y273 PolarHBondContact NZ-OH 2.79Å; L169-Y273 HydrophobicContact CD1-CE2 4.29Å; D241-Y273 PolarHBondContact O-N 3.34Å; I242-Y273 WeakPolarHBondContact CA-O 3.41Å; I242-Y273 HydrophobicContact CG1-CD2 3.9Å; I242-Y273 HydrophobicContact CG1-CG 4.44Å; Y243-Y273 PolarHBondContact N-O 3.25Å
274	V	97.1	Very high	93.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.5	174.4	-175.6	0	0	0	0	109.1	V110 L111 Y243 I264 L268 V276	V110-V274 WeakPolarHBondContact CA-O 3.35Å; V110-V274 HydrophobicContact CG1-CB 4.39Å; V110-V274 HydrophobicContact CG1-CG1 4.05Å; V110-V274 HydrophobicContact CG2-CB 4.16Å; V110-V274 HydrophobicContact CG2-CG1 4.31Å; L111-V274 PolarHBondContact N-O 2.63Å; Y243-V274 HydrophobicContact CD2-CG2 4.44Å; Y243-V274 WeakPolarHBondContact O-CA 3.49Å; I264-V274 HydrophobicContact CG2-CG1 3.84Å; L268-V274 HydrophobicContact CD1-CB 4.27Å; L268-V274 HydrophobicContact CD1-CG2 3.7Å; V274-V276 HydrophobicContact CG1-CG2 4.13Å
275	I	97.3	Very high	93.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128	178.1	-57.4	154.5	0	0	0	108.8	P105 L111 L113 L125 L128 Y243 M244 F245	P105-I275 HydrophobicContact CB-CD1 3.93Å; P105-I275 HydrophobicContact CB-CG1 3.93Å; P105-I275 HydrophobicContact CG-CD1 4.11Å; L111-I275 HydrophobicContact CB-CG1 4.43Å; L111-I275 WeakPolarHBondContact O-CA 3.49Å; L113-I275 HydrophobicContact CD1-CG2 3.76Å; L113-I275 HydrophobicContact CG-CG2 4Å; L125-I275 HydrophobicContact CD2-CB 4.35Å; L125-I275 HydrophobicContact CD2-CG2 3.6Å; L128-I275 HydrophobicContact CB-CD1 4.38Å; L128-I275 HydrophobicContact CD1-CD1 3.8Å; Y243-I275 PolarHBondContact O-N 2.89Å; M244-I275 CarbonylContact C-O 3.57Å; M244-I275 VanDerWaalsContact CA-O 3.29Å; M244-I275 WeakPolarHBondContact CA-O 3.45Å; M244-I275 HydrophobicContact CE-CD1 3.86Å; M244-I275 HydrophobicContact CG-CB 4.38Å; M244-I275 HydrophobicContact CG-CD1 4.35Å; F245-I275 PolarHBondContact N-O 2.85Å
276	V	97.2	Very high	93.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.5	-178.9	-179.8	0	0	0	0	110.4	V110 L111 G112 L113 F245 P248 I264 V274 E278 L287	V110-V276 HydrophobicContact CG1-CG2 4.34Å; L111-V276 PolarHBondContact O-N 2.93Å; G112-V276 CarbonylContact C-O 3.55Å; G112-V276 WeakPolarHBondContact CA-O 3.14Å; L113-V276 PolarHBondContact N-O 2.94Å; F245-V276 HydrophobicContact CB-CG1 4.32Å; F245-V276 HydrophobicContact CB-CG2 4.1Å; F245-V276 HydrophobicContact CD2-CG2 4.15Å; F245-V276 WeakPolarHBondContact O-CA 3.28Å; P248-V276 HydrophobicContact CG-CG1 3.8Å; I264-V276 HydrophobicContact CG2-CG2 4.03Å; V274-V276 HydrophobicContact CG1-CG2 4.13Å; V276-E278 HydrophobicContact CG1-CB 4.49Å; V276-E278 HydrophobicContact CG1-CG 3.91Å; V276-L287 HydrophobicContact CB-CD2 3.49Å; V276-L287 VanDerWaalsContact CB-CD2 3.49Å; V276-L287 HydrophobicContact CG1-CD1 4.15Å; V276-L287 HydrophobicContact CG1-CD2 3.8Å; V276-L287 HydrophobicContact CG2-CD1 4.13Å; V276-L287 HydrophobicContact CG2-CD2 3.44Å; V276-L287 VanDerWaalsContact CG2-CD2 3.44Å; V276-L287 HydrophobicContact CG2-CG 4.37Å
277	V	96	Very high	93.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.5	167.8	174.7	0	0	0	0	107.9	L113 K121 L125 F245 D246 E247 P248	L113-V277 HydrophobicContact CB-CG2 3.94Å; L113-V277 HydrophobicContact CD1-CG2 3.83Å; L113-V277 HydrophobicContact CG-CG2 4.31Å; K121-V277 HydrophobicContact CB-CG1 4.16Å; K121-V277 HydrophobicContact CB-CG2 4.22Å; K121-V277 HydrophobicContact CD-CG1 3.7Å; K121-V277 HydrophobicContact CG-CG1 4.4Å; L125-V277 HydrophobicContact CD1-CG2 3.67Å; L125-V277 HydrophobicContact CD2-CG2 4.21Å; L125-V277 HydrophobicContact CG-CG2 4.02Å; F245-V277 PolarHBondContact O-N 3.49Å; D246-V277 WeakPolarHBondContact OD1-CB 3.44Å; D246-V277 WeakPolarHBondContact OD1-CG1 3.32Å; E247-V277 VanDerWaalsContact CA-O 3.25Å; E247-V277 WeakPolarHBondContact CA-O 3.24Å; E247-V277 HydrophobicContact CG-CG1 4.27Å; E247-V277 PolarHBondContact N-O 2.65Å; P248-V277 WeakPolarHBondContact CD-O 3.31Å
278	E	94.3	Very high	93.6	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	10%	0.104	C	C	.	.			trans	-136.5	151.8	178.4	-99.3	-58.5	158.5	0	0	112.6	L113 P248 S249 V276 D280 V283 L284	L113-E278 PolarHBondContact O-N 3.01Å; P248-E278 WeakPolarHBondContact CD-OE1 3.27Å; P248-E278 HydrophobicContact CG-CG 4.18Å; P248-E278 VanDerWaalsContact CG-OE1 3.3Å; P248-E278 WeakPolarHBondContact CG-OE1 3.49Å; S249-E278 WeakPolarHBondContact CA-OE1 3.32Å; S249-E278 WeakPolarHBondContact CB-OE1 3.45Å; S249-E278 PolarHBondContact N-OE1 3Å; S249-E278 PolarHBondContact OG-OE1 3.21Å; S249-E278 PolarHBondContact OG-OE2 3.2Å; V276-E278 HydrophobicContact CG1-CB 4.49Å; V276-E278 HydrophobicContact CG1-CG 3.91Å; E278-D280 PolarHBondContact OE2-N 3.31Å; E278-V283 HydrophobicContact CG-CG1 4.5Å; E278-L284 HydrophobicContact CB-CB 4.05Å; E278-L284 HydrophobicContact CB-CD1 3.88Å; E278-L284 HydrophobicContact CB-CG 4.49Å
279	H	91.2	Very high	93.7	Very high	6 Å²	6	16.3 Å²	16.3	3%	0.028	10%	0.103	C	C	.	.	S	Bend	trans	-108.9	-27.1	173.6	-77	-53.9	0	0	0	112.2	G115 N117 K121 E247 L281 D498 S499	G115-H279 PolarHBondContact O-CE1 3.47Å; N117-H279 PolarHBondContact OD1-NE2 2.97Å; K121-H279 PolarHBondContact NZ-CE1 2.77Å; K121-H279 PolarHBondContact NZ-NE2 2.89Å; E247-H279 IonicContact OE1-CD2 3.36Å; E247-H279 PolarHBondContact OE1-CD2 3.07Å; E247-H279 VanDerWaalsContact OE1-CD2 3.25Å; E247-H279 IonicContact OE1-NE2 3.77Å; E247-H279 PolarHBondContact OE1-NE2 3.25Å; H279-L281 PolarHBondContact O-N 3.13Å; H279-D498 WeakPolarHBondContact CE1-CB 3.22Å; H279-S499 PolarHBondContact ND1-N 2.84Å; H279-S499 WeakPolarHBondContact O-CB 3.15Å
280	D	92.3	Very high	93.9	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	10%	0.097	C	C	.	.			trans	-75.4	105.6	171.8	-174.5	-34.3	0	0	0	108.8	R257 E278 S282 V283 L284	R257-D280 IonicContact CZ-OD2 3.29Å; R257-D280 IonicContact NH1-OD2 3.98Å; R257-D280 PolarHBondContact NH1-OD2 2.98Å; E278-D280 PolarHBondContact OE2-N 3.31Å; D280-S282 PolarHBondContact O-N 3.47Å; D280-S282 WeakPolarHBondContact OD1-CA 3.33Å; D280-S282 WeakPolarHBondContact OD1-CB 3.37Å; D280-S282 PolarHBondContact OD1-N 3.49Å; D280-V283 HydrophobicContact CB-CB 4.01Å; D280-V283 HydrophobicContact CB-CG2 3.99Å; D280-V283 VanDerWaalsContact CG-CG2 3.46Å; D280-V283 PolarHBondContact O-N 3.08Å; D280-V283 PolarHBondContact OD1-N 3.43Å; D280-V283 WeakPolarHBondContact OD2-CG2 3.49Å; D280-L284 VanDerWaalsContact O-CB 3.28Å; D280-L284 WeakPolarHBondContact O-CB 3.44Å; D280-L284 PolarHBondContact O-N 3.19Å
281	L	92.4	Very high	94.2	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.026	6%	0.064	C	C	.	.	H	α-helix	trans	-67.3	-25.3	-176.6	-52.8	174.7	0	0	0	111.9	V114 H279 L284 D285 I314 F317 L318 I528	V114-L281 HydrophobicContact CG2-CD2 3.62Å; H279-L281 PolarHBondContact O-N 3.13Å; L281-L284 HydrophobicContact CD2-CD2 4.35Å; L281-D285 VanDerWaalsContact O-CB 3.31Å; L281-D285 WeakPolarHBondContact O-CB 3.43Å; L281-D285 PolarHBondContact O-N 2.98Å; L281-I314 HydrophobicContact CD1-CG2 4.25Å; L281-F317 HydrophobicContact CD2-CD1 4.23Å; L281-F317 HydrophobicContact CD2-CE1 4.36Å; L281-L318 HydrophobicContact CD1-CD2 3.91Å; L281-I528 HydrophobicContact CB-CD1 3.56Å; L281-I528 HydrophobicContact CD1-CD1 4.15Å; L281-I528 HydrophobicContact CG-CD1 4.28Å
282	S	91.2	Very high	94.5	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.007	3%	0.033	C	C	.	.	H	α-helix	trans	-72.8	-43.9	177.2	-62.7	0	0	0	0	110.9	D280 D285 Y286 I528	D280-S282 PolarHBondContact O-N 3.47Å; D280-S282 WeakPolarHBondContact OD1-CA 3.33Å; D280-S282 WeakPolarHBondContact OD1-CB 3.37Å; D280-S282 PolarHBondContact OD1-N 3.49Å; S282-D285 PolarHBondContact O-N 2.73Å; S282-Y286 PolarHBondContact O-N 3.42Å; S282-Y286 VanDerWaalsContact O-N 3.16Å; S282-I528 WeakPolarHBondContact OG-CG1 3.45Å
283	V	93.2	Very high	94.4	Very high	5 Å²	5	6.8 Å²	6.8	3%	0.03	3%	0.032	C	C	.	.	H	α-helix	trans	-65.7	-42.2	173.7	177	0	0	0	0	110.6	R257 A261 E278 D280 D285 Y286 L287	R257-V283 HydrophobicContact CB-CG2 3.87Å; R257-V283 HydrophobicContact CG-CG2 4.42Å; A261-V283 HydrophobicContact CB-CG1 4.17Å; E278-V283 HydrophobicContact CG-CG1 4.5Å; D280-V283 HydrophobicContact CB-CB 4.01Å; D280-V283 HydrophobicContact CB-CG2 3.99Å; D280-V283 VanDerWaalsContact CG-CG2 3.46Å; D280-V283 PolarHBondContact O-N 3.08Å; D280-V283 PolarHBondContact OD1-N 3.43Å; D280-V283 WeakPolarHBondContact OD2-CG2 3.49Å; V283-D285 VanDerWaalsContact C-N 3.34Å; V283-D285 PolarHBondContact O-N 3.23Å; V283-Y286 PolarHBondContact O-N 2.78Å; V283-L287 WeakPolarHBondContact O-CB 3.33Å; V283-L287 PolarHBondContact O-N 3.29Å
284	L	94.7	Very high	94.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-59.5	-42.4	175.8	-176.3	72.2	0	0	0	112	V114 E278 D280 L281 Y286 L287 S288 I291	V114-L284 HydrophobicContact CB-CD2 3.78Å; V114-L284 HydrophobicContact CG1-CD2 4.43Å; V114-L284 HydrophobicContact CG2-CD2 4.25Å; E278-L284 HydrophobicContact CB-CB 4.05Å; E278-L284 HydrophobicContact CB-CD1 3.88Å; E278-L284 HydrophobicContact CB-CG 4.49Å; D280-L284 VanDerWaalsContact O-CB 3.28Å; D280-L284 WeakPolarHBondContact O-CB 3.44Å; D280-L284 PolarHBondContact O-N 3.19Å; L281-L284 HydrophobicContact CD2-CD2 4.35Å; L284-Y286 VanDerWaalsContact C-N 3.35Å; L284-L287 PolarHBondContact O-N 2.87Å; L284-S288 WeakPolarHBondContact CD1-OG 3.32Å; L284-S288 VanDerWaalsContact O-CB 3.24Å; L284-S288 WeakPolarHBondContact O-CB 3.47Å; L284-S288 PolarHBondContact O-N 3.06Å; L284-S288 PolarHBondContact O-OG 2.9Å; L284-I291 HydrophobicContact CD2-CD1 3.87Å; L284-I291 HydrophobicContact CG-CD1 3.92Å; L284-I291 HydrophobicContact CG-CG1 4.48Å
285	D	92.8	Very high	94	Very high	5 Å²	5	6.7 Å²	6.7	3%	0.027	3%	0.032	C	C	.	.	H	α-helix	trans	-62.7	-41.8	177.7	-159.1	-61.6	0	0	0	111.5	L281 S282 V283 V310 I314 R579 R581	L281-D285 VanDerWaalsContact O-CB 3.31Å; L281-D285 WeakPolarHBondContact O-CB 3.43Å; L281-D285 PolarHBondContact O-N 2.98Å; S282-D285 PolarHBondContact O-N 2.73Å; V283-D285 VanDerWaalsContact C-N 3.34Å; V283-D285 PolarHBondContact O-N 3.23Å; D285-V310 HydrophobicContact CB-CG1 4.03Å; D285-I314 HydrophobicContact CB-CD1 3.77Å; D285-I314 WeakPolarHBondContact OD2-CD1 3.36Å; D285-R579 IonicContact OD2-CZ 3.52Å; D285-R579 IonicContact OD2-NH1 3.9Å; D285-R579 PolarHBondContact OD2-NH1 2.74Å; D285-R579 IonicContact OD2-NH2 3.13Å; D285-R579 PolarHBondContact OD2-NH2 3.02Å; D285-R581 IonicContact OD1-CZ 4Å; D285-R581 IonicContact OD1-NE 3.08Å; D285-R581 PolarHBondContact OD1-NE 3.46Å; D285-R581 IonicContact OD1-NH2 2.62Å; D285-R581 PolarHBondContact OD1-NH2 2.86Å; D285-R581 IonicContact OD2-CZ 2.97Å; D285-R581 IonicContact OD2-NE 3.84Å; D285-R581 PolarHBondContact OD2-NE 3.12Å; D285-R581 IonicContact OD2-NH2 2.97Å; D285-R581 PolarHBondContact OD2-NH2 3.03Å
286	Y	92.3	Very high	93.6	Very high	8 Å²	8	7.8 Å²	7.8	3%	0.031	4%	0.044	C	C	.	.	H	α-helix	trans	-67.9	-43.4	178	-179.1	-95.3	0	0	0	112.6	A261 I262 S282 V283 L284 I582 K584	A261-Y286 HydrophobicContact CB-CD1 3.77Å; A261-Y286 HydrophobicContact CB-CE1 4.08Å; I262-Y286 HydrophobicContact CG1-CE1 3.89Å; I262-Y286 WeakPolarHBondContact CG1-OH 3.38Å; S282-Y286 PolarHBondContact O-N 3.42Å; S282-Y286 VanDerWaalsContact O-N 3.16Å; V283-Y286 PolarHBondContact O-N 2.78Å; L284-Y286 VanDerWaalsContact C-N 3.35Å; Y286-I582 HydrophobicContact CD2-CB 4.34Å; Y286-I582 HydrophobicContact CD2-CG2 3.62Å; Y286-I582 HydrophobicContact CE2-CG2 4.35Å; Y286-I582 HydrophobicContact CG-CG2 4.33Å; Y286-K584 WeakPolarHBondContact O-CE 3.41Å
287	L	92.9	Very high	93	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-77.3	-38.5	-171.7	179.7	143.6	0	0	0	113	V110 A261 I264 V276 V283 L284	V110-L287 WeakPolarHBondContact CB-O 3.42Å; V110-L287 HydrophobicContact CG1-CD2 3.33Å; V110-L287 HydrophobicContact CG1-CG 4.16Å; V110-L287 WeakPolarHBondContact CG1-O 3.45Å; A261-L287 HydrophobicContact CB-CB 4.39Å; A261-L287 HydrophobicContact CB-CD1 4.11Å; I264-L287 HydrophobicContact CB-CD1 4.06Å; I264-L287 HydrophobicContact CD1-CD1 3.94Å; I264-L287 HydrophobicContact CG2-CD1 3.96Å; V276-L287 HydrophobicContact CB-CD2 3.49Å; V276-L287 VanDerWaalsContact CB-CD2 3.49Å; V276-L287 HydrophobicContact CG1-CD1 4.15Å; V276-L287 HydrophobicContact CG1-CD2 3.8Å; V276-L287 HydrophobicContact CG2-CD1 4.13Å; V276-L287 HydrophobicContact CG2-CD2 3.44Å; V276-L287 VanDerWaalsContact CG2-CD2 3.44Å; V276-L287 HydrophobicContact CG2-CG 4.37Å; V283-L287 WeakPolarHBondContact O-CB 3.33Å; V283-L287 PolarHBondContact O-N 3.29Å; L284-L287 PolarHBondContact O-N 2.87Å
288	S	95.3	Very high	92.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.084	C	C	.	.			trans	-90.1	158.7	-165.6	-44.7	0	0	0	0	113.4	G112 L284 V310 K584	G112-S288 WeakPolarHBondContact CA-OG 3.35Å; L284-S288 WeakPolarHBondContact CD1-OG 3.32Å; L284-S288 VanDerWaalsContact O-CB 3.24Å; L284-S288 WeakPolarHBondContact O-CB 3.47Å; L284-S288 PolarHBondContact O-N 3.06Å; L284-S288 PolarHBondContact O-OG 2.9Å; S288-V310 VanDerWaalsContact O-CG2 3.23Å; S288-V310 WeakPolarHBondContact O-CG2 3.45Å; S288-K584 PolarHBondContact O-NZ 2.93Å
289	D	95.5	Very high	91.9	Very high	42 Å²	42	16.2 Å²	16.2	23%	0.225	10%	0.104	C	C	.	.	S	Bend	trans	-108.2	-35	167.2	-58.8	-53.8	0	0	0	111	V110 V310 K584	V110-D289 PolarHBondContact N-OD2 3.31Å; V110-D289 PolarHBondContact O-N 3.19Å; D289-V310 VanDerWaalsContact O-CG2 3.31Å; D289-V310 WeakPolarHBondContact O-CG2 3.39Å; D289-K584 IonicContact OD1-NZ 3.73Å; D289-K584 PolarHBondContact OD1-NZ 3.36Å
290	F	96.5	Very high	91.6	Very high	56 Å²	56	16 Å²	16	25%	0.246	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	153.7	172.2	-68.1	-86.7	0	0	0	111	E109 V110 L111 G112 P307 F308	E109-F290 HydrophobicContact CG-CE2 4.4Å; E109-F290 WeakPolarHBondContact OE1-CE2 3.14Å; E109-F290 VanDerWaalsContact OE2-CD2 3.24Å; E109-F290 WeakPolarHBondContact OE2-CD2 3.45Å; E109-F290 WeakPolarHBondContact OE2-CE2 3.37Å; V110-F290 PolarHBondContact O-N 2.85Å; L111-F290 HydrophobicContact CD1-CB 4.04Å; G112-F290 PolarHBondContact N-O 3.45Å; F290-P307 HydrophobicContact CB-CB 4.16Å; F290-F308 CarbonylContact C-O 3.55Å; F290-F308 VanDerWaalsContact CA-O 3.28Å; F290-F308 WeakPolarHBondContact CA-O 3.34Å; F290-F308 WeakPolarHBondContact CD1-O 3.4Å
291	I	96.4	Very high	91.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.3	179.6	-68.2	179.3	0	0	0	110.7	G112 V114 L284 F308 V310 I314	G112-I291 CarbonylContact O-C 3.59Å; G112-I291 VanDerWaalsContact O-CA 3.28Å; G112-I291 WeakPolarHBondContact O-CA 3.16Å; V114-I291 HydrophobicContact CG1-CG2 3.87Å; L284-I291 HydrophobicContact CD2-CD1 3.87Å; L284-I291 HydrophobicContact CG-CD1 3.92Å; L284-I291 HydrophobicContact CG-CG1 4.48Å; I291-F308 PolarHBondContact N-O 3.06Å; I291-F308 PolarHBondContact O-N 3.1Å; I291-V310 HydrophobicContact CD1-CB 4.23Å; I291-V310 HydrophobicContact CD1-CG1 3.8Å; I291-I314 HydrophobicContact CD1-CD1 3.64Å; I291-I314 HydrophobicContact CD1-CG1 3.44Å; I291-I314 VanDerWaalsContact CD1-CG1 3.44Å
292	C	96	Very high	91.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.1	164.5	-76.7	0	0	0	0	109.5	G112 L113 V114 V304 T305	G112-C292 PolarHBondContact O-N 3.18Å; L113-C292 WeakPolarHBondContact CA-O 3.29Å; L113-C292 HydrophobicContact CD2-CB 3.68Å; V114-C292 PolarHBondContact N-O 2.87Å; V114-C292 VanDerWaalsContact N-O 3.09Å; C292-V304 HydrophobicContact CB-CG1 3.93Å; C292-T305 PolarHBondContact SG-O 3.28Å; C292-T305 VanDerWaalsContact SG-O 3.37Å
293	C	93.6	Very high	91.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.5	173	-59.1	0	0	0	0	109.6	V114 T305 G313	V114-C293 HydrophobicContact CG1-CB 4.31Å; V114-C293 CarbonylContact O-C 3.45Å; V114-C293 WeakPolarHBondContact O-CA 3.38Å; C293-T305 HydrophobicContact CB-CG2 3.9Å; C293-T305 PolarHBondContact N-OG1 3.37Å; C293-T305 WeakPolarHBondContact O-CG2 3.37Å; C293-T305 PolarHBondContact O-N 3.42Å; C293-T305 PolarHBondContact O-OG1 3.11Å; C293-G313 PolarHBondContact SG-O 2.97Å
294	L	93.6	Very high	91.4	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.3	169.5	-69.9	84.6	0	0	0	109.1	L113 V114 G115 I119 K121 V303 V304	L113-L294 HydrophobicContact CB-CD1 4.17Å; V114-L294 PolarHBondContact O-N 3.39Å; G115-L294 WeakPolarHBondContact CA-O 3.27Å; I119-L294 HydrophobicContact CG1-CB 4.28Å; I119-L294 HydrophobicContact CG2-CB 3.53Å; I119-L294 HydrophobicContact CG2-CD2 4.13Å; I119-L294 HydrophobicContact CG2-CG 4.48Å; K121-L294 HydrophobicContact CB-CD2 4.47Å; K121-L294 HydrophobicContact CG-CD1 4.33Å; K121-L294 HydrophobicContact CG-CD2 3.91Å; L294-V303 WeakPolarHBondContact CA-O 3.18Å; L294-V304 HydrophobicContact CD1-CG1 4.38Å; L294-V304 HydrophobicContact CD2-CG2 4.06Å; L294-V304 HydrophobicContact CG-CG1 4.35Å; L294-V304 HydrophobicContact CG-CG2 4.04Å
295	Y	90.6	Very high	91.3	Very high	7 Å²	7	17 Å²	17	3%	0.027	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	166	-179.8	69.6	-93.2	0	0	0	111.6	G302 V303 T305 V322 L327 F329	Y295-G302 CarbonylContact O-C 3.57Å; Y295-G302 WeakPolarHBondContact O-CA 3.33Å; Y295-V303 HydrophobicContact CD1-CB 4.37Å; Y295-V303 HydrophobicContact CD2-CB 4.29Å; Y295-V303 HydrophobicContact CD2-CG2 4.5Å; Y295-V303 HydrophobicContact CE1-CB 3.9Å; Y295-V303 HydrophobicContact CE1-CG1 3.99Å; Y295-V303 HydrophobicContact CE2-CB 3.8Å; Y295-V303 HydrophobicContact CE2-CG1 4.34Å; Y295-V303 HydrophobicContact CE2-CG2 3.92Å; Y295-V303 PolarHBondContact N-O 2.97Å; Y295-V303 PolarHBondContact O-N 2.94Å; Y295-V303 WeakPolarHBondContact OH-CG1 3.42Å; Y295-T305 HydrophobicContact CD1-CG2 3.88Å; Y295-T305 HydrophobicContact CE1-CG2 3.72Å; Y295-V322 HydrophobicContact CD1-CG2 4.41Å; Y295-V322 HydrophobicContact CE1-CG2 4.13Å; Y295-L327 HydrophobicContact CD2-CD2 4.05Å; Y295-L327 HydrophobicContact CE1-CD2 4.49Å; Y295-L327 HydrophobicContact CE2-CD1 4.2Å; Y295-L327 HydrophobicContact CE2-CD2 3.39Å; Y295-L327 HydrophobicContact CE2-CG 4.47Å; Y295-F329 VanDerWaalsContact CB-CG 3.49Å; Y295-F329 HydrophobicContact CD1-CD1 4.28Å; Y295-F329 HydrophobicContact CD2-CB 3.48Å; Y295-F329 VanDerWaalsContact CD2-CB 3.48Å; Y295-F329 HydrophobicContact CD2-CD1 4.36Å; Y295-F329 HydrophobicContact CD2-CG 4.02Å; Y295-F329 HydrophobicContact CE2-CB 4.26Å; Y295-F329 HydrophobicContact CG-CB 3.8Å; Y295-F329 AromaticContact CG-CD1 3.94Å; Y295-F329 HydrophobicContact CG-CD1 3.94Å; Y295-F329 HydrophobicContact CG-CD2 4.38Å; Y295-F329 AromaticContact CG-CG 3.8Å; Y295-F329 HydrophobicContact CG-CG 3.8Å
296	G	87.6	Confident	91.2	Very high	23 Å²	23	20.9 Å²	20.9	24%	0.237	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.2	-152.1	-177.8	0	0	0	0	0	111
297	V	84.8	Confident	91.2	Very high	60 Å²	60	22 Å²	22	36%	0.364	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.3	-179.4	178.8	0	0	0	0	109.1	I78 G299 A300 Y301	I78-V297 HydrophobicContact CD1-CB 3.87Å; I78-V297 HydrophobicContact CD1-CG1 3.97Å; I78-V297 HydrophobicContact CD1-CG2 3.98Å; V297-G299 PolarHBondContact O-N 2.78Å; V297-A300 HydrophobicContact CB-CB 3.73Å; V297-A300 HydrophobicContact CG1-CB 3.71Å; V297-A300 WeakPolarHBondContact O-CA 3.47Å; V297-A300 VanDerWaalsContact O-CB 3.3Å; V297-A300 WeakPolarHBondContact O-CB 3.29Å; V297-A300 PolarHBondContact O-N 2.82Å; V297-Y301 HydrophobicContact CB-CD1 4.26Å; V297-Y301 HydrophobicContact CB-CE1 3.99Å; V297-Y301 HydrophobicContact CG2-CE1 3.77Å; V297-Y301 PolarHBondContact N-O 2.96Å; V297-Y301 PolarHBondContact O-N 3.44Å; V297-Y301 VanDerWaalsContact O-O 3.06Å
298	P	84.5	Confident	91.3	Very high	75 Å²	75	23 Å²	23	49%	0.487	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	131.6	177.5	-33.1	38.4	0	0	0	113.3	N117 A300	N117-P298 WeakPolarHBondContact O-CB 3.25Å; P298-A300 PolarHBondContact O-N 2.92Å; P298-A300 VanDerWaalsContact O-N 3.1Å
299	G	83.2	Confident	91.3	Very high	42 Å²	42	25.1 Å²	25.1	43%	0.433	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	-6.3	-178.5	0	0	0	0	0	115.1	G118 V297	G118-G299 PolarHBondContact O-N 3.17Å; V297-G299 PolarHBondContact O-N 2.78Å
300	A	84.3	Confident	91.2	Very high	3 Å²	3	23.8 Å²	23.8	3%	0.025	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-62.3	-176.6	0	0	0	0	0	113.2	I15 I78 F97 K98 V297 P298	I15-A300 VanDerWaalsContact CD1-CA 3.43Å; I15-A300 HydrophobicContact CD1-CB 3.19Å; I15-A300 HydrophobicContact CG1-CB 3.98Å; I78-A300 HydrophobicContact CD1-CB 3.47Å; I78-A300 VanDerWaalsContact CD1-CB 3.47Å; F97-A300 VanDerWaalsContact CA-O 3.3Å; F97-A300 WeakPolarHBondContact CA-O 3.08Å; K98-A300 PolarHBondContact N-O 2.85Å; V297-A300 HydrophobicContact CB-CB 3.73Å; V297-A300 HydrophobicContact CG1-CB 3.71Å; V297-A300 WeakPolarHBondContact O-CA 3.47Å; V297-A300 VanDerWaalsContact O-CB 3.3Å; V297-A300 WeakPolarHBondContact O-CB 3.29Å; V297-A300 PolarHBondContact O-N 2.82Å; P298-A300 PolarHBondContact O-N 2.92Å; P298-A300 VanDerWaalsContact O-N 3.1Å
301	Y	89.3	Confident	91	Very high	30 Å²	30	26.1 Å²	26.1	12%	0.118	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	154.7	172.7	74	-80	0	0	0	110.4	I13 I78 L80 K98 I119 V297 V303	I13-Y301 HydrophobicContact CD1-CD1 4.08Å; I13-Y301 HydrophobicContact CD1-CG 3.98Å; I78-Y301 HydrophobicContact CD1-CD1 4.17Å; I78-Y301 HydrophobicContact CD1-CE1 4.18Å; I78-Y301 HydrophobicContact CG2-CE1 3.91Å; L80-Y301 HydrophobicContact CD2-CD1 3.94Å; L80-Y301 HydrophobicContact CD2-CD2 3.7Å; L80-Y301 HydrophobicContact CD2-CE1 3.77Å; L80-Y301 HydrophobicContact CD2-CE2 3.51Å; L80-Y301 HydrophobicContact CD2-CG 3.91Å; K98-Y301 CarbonylContact O-C 3.56Å; K98-Y301 WeakPolarHBondContact O-CA 3.27Å; K98-Y301 WeakPolarHBondContact O-CB 3.34Å; I119-Y301 VanDerWaalsContact CD1-O 3.29Å; I119-Y301 WeakPolarHBondContact CD1-O 3.44Å; V297-Y301 HydrophobicContact CB-CD1 4.26Å; V297-Y301 HydrophobicContact CB-CE1 3.99Å; V297-Y301 HydrophobicContact CG2-CE1 3.77Å; V297-Y301 PolarHBondContact N-O 2.96Å; V297-Y301 PolarHBondContact O-N 3.44Å; V297-Y301 VanDerWaalsContact O-O 3.06Å; Y301-V303 HydrophobicContact CD2-CG2 3.87Å; Y301-V303 HydrophobicContact CE2-CG2 3.82Å
302	G	91.8	Very high	90.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.6	173.3	0	0	0	0	0	110.6	F97 K98 H100 I119 Y295	F97-G302 VanDerWaalsContact CZ-N 3.32Å; K98-G302 PolarHBondContact O-N 2.91Å; H100-G302 PolarHBondContact N-O 2.82Å; I119-G302 WeakPolarHBondContact O-CA 3.36Å; Y295-G302 CarbonylContact O-C 3.57Å; Y295-G302 WeakPolarHBondContact O-CA 3.33Å
303	V	91.3	Very high	90.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.4	176.2	-170.8	0	0	0	0	108	L84 H100 L294 Y295 Y301	L84-V303 HydrophobicContact CD1-CG2 3.77Å; L84-V303 HydrophobicContact CD2-CG1 3.79Å; L84-V303 HydrophobicContact CD2-CG2 4.14Å; H100-V303 HydrophobicContact CB-CB 4.35Å; H100-V303 HydrophobicContact CB-CG1 4.23Å; H100-V303 HydrophobicContact CB-CG2 4.04Å; H100-V303 WeakPolarHBondContact O-CA 3.18Å; L294-V303 WeakPolarHBondContact CA-O 3.18Å; Y295-V303 HydrophobicContact CD1-CB 4.37Å; Y295-V303 HydrophobicContact CD2-CB 4.29Å; Y295-V303 HydrophobicContact CD2-CG2 4.5Å; Y295-V303 HydrophobicContact CE1-CB 3.9Å; Y295-V303 HydrophobicContact CE1-CG1 3.99Å; Y295-V303 HydrophobicContact CE2-CB 3.8Å; Y295-V303 HydrophobicContact CE2-CG1 4.34Å; Y295-V303 HydrophobicContact CE2-CG2 3.92Å; Y295-V303 PolarHBondContact N-O 2.97Å; Y295-V303 PolarHBondContact O-N 2.94Å; Y295-V303 WeakPolarHBondContact OH-CG1 3.42Å; Y301-V303 HydrophobicContact CD2-CG2 3.87Å; Y301-V303 HydrophobicContact CE2-CG2 3.82Å
304	V	93.2	Very high	90.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.9	174.6	-165.4	0	0	0	0	109.4	L99 H100 R101 P103 C292 L294	L99-V304 HydrophobicContact CD1-CG2 4.3Å; H100-V304 PolarHBondContact O-N 3.1Å; H100-V304 VanDerWaalsContact O-N 3.08Å; R101-V304 HydrophobicContact CB-CB 4.25Å; R101-V304 WeakPolarHBondContact CD-O 3.33Å; P103-V304 HydrophobicContact CB-CG1 4.24Å; P103-V304 HydrophobicContact CG-CG1 3.9Å; P103-V304 HydrophobicContact CG-CG2 4.5Å; C292-V304 HydrophobicContact CB-CG1 3.93Å; L294-V304 HydrophobicContact CD1-CG1 4.38Å; L294-V304 HydrophobicContact CD2-CG2 4.06Å; L294-V304 HydrophobicContact CG-CG1 4.35Å; L294-V304 HydrophobicContact CG-CG2 4.04Å
305	T	91.6	Very high	90.4	Very high	3 Å²	3	31 Å²	31	2%	0.018	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-70.8	163.2	172	67	0	0	0	0	111.6	C292 C293 Y295 F308 V322	C292-T305 PolarHBondContact SG-O 3.28Å; C292-T305 VanDerWaalsContact SG-O 3.37Å; C293-T305 HydrophobicContact CB-CG2 3.9Å; C293-T305 PolarHBondContact N-OG1 3.37Å; C293-T305 WeakPolarHBondContact O-CG2 3.37Å; C293-T305 PolarHBondContact O-N 3.42Å; C293-T305 PolarHBondContact O-OG1 3.11Å; Y295-T305 HydrophobicContact CD1-CG2 3.88Å; Y295-T305 HydrophobicContact CE1-CG2 3.72Å; T305-F308 HydrophobicContact CG2-CE2 4.4Å; T305-V322 HydrophobicContact CG2-CG1 4.46Å; T305-V322 HydrophobicContact CG2-CG2 3.86Å
306	M	90.8	Very high	90.4	Very high	86 Å²	86	31.2 Å²	31.2	42%	0.424	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-57.1	154	160.4	-61.9	-56.9	-72.1	0	0	110.5	M104 F308	M104-M306 HydrophobicContact CE-CE 3.69Å; M104-M306 HydrophobicContact CE-SD 3.44Å; M104-M306 WeakPolarHBondContact CE-SD 3.39Å; M104-M306 HydrophobicContact SD-CE 3.81Å; M104-M306 HydrophobicContact SD-SD 4.29Å; M306-F308 WeakPolarHBondContact O-CD2 3.44Å; M306-F308 WeakPolarHBondContact O-CE2 3.36Å; M306-F308 PolarHBondContact O-N 2.86Å
307	P	93.6	Very high	90.6	Very high	30 Å²	30	30.3 Å²	30.3	20%	0.195	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-66.7	129.8	174.8	26.3	-33	0	0	0	110.6	L111 F290	L111-P307 HydrophobicContact CD1-CB 4.27Å; F290-P307 HydrophobicContact CB-CB 4.16Å
308	F	94.9	Very high	90.8	Very high	24 Å²	24	27.4 Å²	27.4	11%	0.105	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	162.7	173.7	-66.6	-77.7	0	0	0	110.6	F290 I291 T305 M306 E312 I316 V322 T324	F290-F308 CarbonylContact C-O 3.55Å; F290-F308 VanDerWaalsContact CA-O 3.28Å; F290-F308 WeakPolarHBondContact CA-O 3.34Å; F290-F308 WeakPolarHBondContact CD1-O 3.4Å; I291-F308 PolarHBondContact N-O 3.06Å; I291-F308 PolarHBondContact O-N 3.1Å; T305-F308 HydrophobicContact CG2-CE2 4.4Å; M306-F308 WeakPolarHBondContact O-CD2 3.44Å; M306-F308 WeakPolarHBondContact O-CE2 3.36Å; M306-F308 PolarHBondContact O-N 2.86Å; F308-E312 HydrophobicContact CB-CB 4.25Å; F308-I316 HydrophobicContact CD1-CD1 3.79Å; F308-I316 HydrophobicContact CD2-CD1 3.74Å; F308-I316 HydrophobicContact CE1-CD1 3.77Å; F308-I316 HydrophobicContact CE2-CD1 3.69Å; F308-I316 HydrophobicContact CG-CD1 3.78Å; F308-I316 HydrophobicContact CZ-CD1 3.72Å; F308-V322 HydrophobicContact CZ-CG1 4.29Å; F308-T324 HydrophobicContact CE1-CG2 3.92Å; F308-T324 HydrophobicContact CZ-CG2 4.22Å
309	S	94.8	Very high	91	Very high	43 Å²	43	27.6 Å²	27.6	30%	0.301	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	150	166.9	70.9	0	0	0	0	110.3	R311 E312 G313	S309-R311 PolarHBondContact O-N 2.57Å; S309-R311 VanDerWaalsContact O-N 3.11Å; S309-E312 PolarHBondContact O-N 3.15Å; S309-E312 VanDerWaalsContact O-N 3.1Å; S309-E312 WeakPolarHBondContact OG-CB 3.46Å; S309-E312 VanDerWaalsContact OG-CG 3.31Å; S309-E312 WeakPolarHBondContact OG-CG 3.2Å; S309-E312 PolarHBondContact OG-OE2 2.89Å; S309-G313 PolarHBondContact O-N 3.22Å
310	V	93.5	Very high	91.1	Very high	15 Å²	15	25.6 Å²	25.6	9%	0.091	13%	0.127	C	C	.	.	H	α-helix	trans	-48.6	-44.8	-177.6	178	0	0	0	0	113	D285 S288 D289 I291 I314	D285-V310 HydrophobicContact CB-CG1 4.03Å; S288-V310 VanDerWaalsContact O-CG2 3.23Å; S288-V310 WeakPolarHBondContact O-CG2 3.45Å; D289-V310 VanDerWaalsContact O-CG2 3.31Å; D289-V310 WeakPolarHBondContact O-CG2 3.39Å; I291-V310 HydrophobicContact CD1-CB 4.23Å; I291-V310 HydrophobicContact CD1-CG1 3.8Å; V310-I314 HydrophobicContact CG1-CD1 4.03Å; V310-I314 WeakPolarHBondContact O-CG1 3.22Å; V310-I314 PolarHBondContact O-N 3.48Å
311	R	91.6	Very high	91.1	Very high	104 Å²	104	27.1 Å²	27.1	39%	0.392	14%	0.136	S	C	.	.	H	α-helix	trans	-63	-52.6	-178.5	-170.7	-175.1	78.5	-177.6	3.8	111	S309 N315 D574 R579	S309-R311 PolarHBondContact O-N 2.57Å; S309-R311 VanDerWaalsContact O-N 3.11Å; R311-N315 WeakPolarHBondContact O-CB 3.49Å; R311-N315 PolarHBondContact O-N 2.88Å; R311-N315 PolarHBondContact O-OD1 2.98Å; R311-D574 VanDerWaalsContact CD-OD2 3.28Å; R311-D574 WeakPolarHBondContact CD-OD2 3.49Å; R311-D574 WeakPolarHBondContact CG-OD2 3.46Å; R311-R579 PolarHBondContact O-NH2 3.02Å
312	E	92.3	Very high	90.8	Very high	92 Å²	92	25.7 Å²	25.7	43%	0.43	13%	0.13	S	C	.	.	H	α-helix	trans	-67.2	-44	-176.5	-69.2	165.8	162.4	0	0	111	F308 S309 I314 N315 I316	F308-E312 HydrophobicContact CB-CB 4.25Å; S309-E312 PolarHBondContact O-N 3.15Å; S309-E312 VanDerWaalsContact O-N 3.1Å; S309-E312 WeakPolarHBondContact OG-CB 3.46Å; S309-E312 VanDerWaalsContact OG-CG 3.31Å; S309-E312 WeakPolarHBondContact OG-CG 3.2Å; S309-E312 PolarHBondContact OG-OE2 2.89Å; E312-I314 PolarHBondContact O-N 3.46Å; E312-N315 PolarHBondContact O-N 2.96Å; E312-I316 WeakPolarHBondContact O-CB 3.12Å; E312-I316 WeakPolarHBondContact O-CG1 3.41Å; E312-I316 PolarHBondContact O-N 3.41Å
313	G	92.8	Very high	90.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.5	-46.9	179.5	0	0	0	0	0	112.4	C293 S309 I316 F317	C293-G313 PolarHBondContact SG-O 2.97Å; S309-G313 PolarHBondContact O-N 3.22Å; G313-I316 PolarHBondContact O-N 3.46Å; G313-F317 WeakPolarHBondContact O-CB 3.36Å; G313-F317 PolarHBondContact O-N 3.41Å
314	I	92.2	Very high	89.5	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.7	-40.6	176.3	-64.5	165.2	0	0	0	111	L281 D285 I291 V310 E312 I316 F317 L318 R579	L281-I314 HydrophobicContact CD1-CG2 4.25Å; D285-I314 HydrophobicContact CB-CD1 3.77Å; D285-I314 WeakPolarHBondContact OD2-CD1 3.36Å; I291-I314 HydrophobicContact CD1-CD1 3.64Å; I291-I314 HydrophobicContact CD1-CG1 3.44Å; I291-I314 VanDerWaalsContact CD1-CG1 3.44Å; V310-I314 HydrophobicContact CG1-CD1 4.03Å; V310-I314 WeakPolarHBondContact O-CG1 3.22Å; V310-I314 PolarHBondContact O-N 3.48Å; E312-I314 PolarHBondContact O-N 3.46Å; I314-I316 PolarHBondContact O-N 3.02Å; I314-F317 WeakPolarHBondContact O-CB 3.49Å; I314-F317 PolarHBondContact O-N 2.95Å; I314-L318 HydrophobicContact CG2-CD1 3.73Å; I314-L318 HydrophobicContact CG2-CG 4.18Å; I314-L318 WeakPolarHBondContact O-CG 3.41Å; I314-L318 PolarHBondContact O-N 3.46Å; I314-R579 VanDerWaalsContact CG2-CZ 3.45Å; I314-R579 VanDerWaalsContact CG2-NH1 3.34Å
315	N	90.9	Very high	88.7	Confident	14 Å²	14	37.6 Å²	37.6	8%	0.075	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-42.2	178.5	-71.7	-2.4	0	0	0	111.5	R311 E312 F317 L318 D319 T576 N577 R579	R311-N315 WeakPolarHBondContact O-CB 3.49Å; R311-N315 PolarHBondContact O-N 2.88Å; R311-N315 PolarHBondContact O-OD1 2.98Å; E312-N315 PolarHBondContact O-N 2.96Å; N315-F317 VanDerWaalsContact C-N 3.32Å; N315-F317 PolarHBondContact O-N 3.47Å; N315-L318 CarbonylContact O-C 3.49Å; N315-L318 PolarHBondContact O-N 2.73Å; N315-L318 VanDerWaalsContact O-N 3.11Å; N315-D319 WeakPolarHBondContact O-CB 3.29Å; N315-D319 VanDerWaalsContact O-CG 3.24Å; N315-D319 PolarHBondContact O-N 2.94Å; N315-T576 PolarHBondContact ND2-OG1 2.99Å; N315-N577 PolarHBondContact OD1-ND2 3.22Å; N315-R579 PolarHBondContact OD1-NE 2.78Å; N315-R579 PolarHBondContact OD1-NH2 3.44Å
316	I	90.4	Very high	87.8	Confident	12 Å²	12	44.5 Å²	44.5	6%	0.062	24%	0.238	C	C	.	.	H	α-helix	trans	-56.8	-46.6	171.6	-73.8	169.6	0	0	0	110.7	F308 E312 G313 I314 L318 D319 G320 V321 V322 P323	F308-I316 HydrophobicContact CD1-CD1 3.79Å; F308-I316 HydrophobicContact CD2-CD1 3.74Å; F308-I316 HydrophobicContact CE1-CD1 3.77Å; F308-I316 HydrophobicContact CE2-CD1 3.69Å; F308-I316 HydrophobicContact CG-CD1 3.78Å; F308-I316 HydrophobicContact CZ-CD1 3.72Å; E312-I316 WeakPolarHBondContact O-CB 3.12Å; E312-I316 WeakPolarHBondContact O-CG1 3.41Å; E312-I316 PolarHBondContact O-N 3.41Å; G313-I316 PolarHBondContact O-N 3.46Å; I314-I316 PolarHBondContact O-N 3.02Å; I316-L318 VanDerWaalsContact C-N 3.28Å; I316-L318 PolarHBondContact O-N 2.78Å; I316-D319 PolarHBondContact O-N 2.91Å; I316-G320 PolarHBondContact O-N 2.99Å; I316-V321 WeakPolarHBondContact CG2-O 3.28Å; I316-V322 HydrophobicContact CG2-CG2 4.06Å; I316-P323 HydrophobicContact CG1-CG 4.41Å
317	F	91.1	Very high	87.3	Confident	3 Å²	3	42.1 Å²	42.1	1%	0.013	23%	0.226	C	C	.	.	H	α-helix	trans	-59	-40.3	176.6	179	-104.4	0	0	0	112	V114 L281 G313 I314 N315 R330 L334 S499	V114-F317 HydrophobicContact CG1-CB 4.11Å; V114-F317 HydrophobicContact CG1-CD2 3.99Å; V114-F317 HydrophobicContact CG1-CG 3.98Å; V114-F317 HydrophobicContact CG2-CD1 4Å; V114-F317 HydrophobicContact CG2-CD2 4.12Å; V114-F317 HydrophobicContact CG2-CE1 4Å; V114-F317 HydrophobicContact CG2-CE2 4.13Å; V114-F317 HydrophobicContact CG2-CG 4.07Å; V114-F317 HydrophobicContact CG2-CZ 4.07Å; L281-F317 HydrophobicContact CD2-CD1 4.23Å; L281-F317 HydrophobicContact CD2-CE1 4.36Å; G313-F317 WeakPolarHBondContact O-CB 3.36Å; G313-F317 PolarHBondContact O-N 3.41Å; I314-F317 WeakPolarHBondContact O-CB 3.49Å; I314-F317 PolarHBondContact O-N 2.95Å; N315-F317 VanDerWaalsContact C-N 3.32Å; N315-F317 PolarHBondContact O-N 3.47Å; F317-R330 PolarHBondContact O-NH2 3.49Å; F317-L334 HydrophobicContact CE1-CD1 4.49Å; F317-S499 WeakPolarHBondContact CE1-OG 3.48Å; F317-S499 WeakPolarHBondContact CZ-OG 3.48Å
318	L	89	Confident	86.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-76.8	-40.2	-179.5	-67	168	0	0	0	112.8	L281 I314 N315 I316 G320 R330 P333 L334 F336 L503	L281-L318 HydrophobicContact CD1-CD2 3.91Å; I314-L318 HydrophobicContact CG2-CD1 3.73Å; I314-L318 HydrophobicContact CG2-CG 4.18Å; I314-L318 WeakPolarHBondContact O-CG 3.41Å; I314-L318 PolarHBondContact O-N 3.46Å; N315-L318 CarbonylContact O-C 3.49Å; N315-L318 PolarHBondContact O-N 2.73Å; N315-L318 VanDerWaalsContact O-N 3.11Å; I316-L318 VanDerWaalsContact C-N 3.28Å; I316-L318 PolarHBondContact O-N 2.78Å; L318-G320 VanDerWaalsContact C-N 3.25Å; L318-G320 PolarHBondContact O-N 3.45Å; L318-R330 PolarHBondContact O-NH2 3.31Å; L318-P333 CarbonylContact O-C 3.53Å; L318-P333 WeakPolarHBondContact O-CA 3.34Å; L318-L334 HydrophobicContact CB-CB 4.33Å; L318-L334 HydrophobicContact CD2-CB 3.81Å; L318-L334 HydrophobicContact CD2-CD1 4.1Å; L318-L334 WeakPolarHBondContact O-CB 3.4Å; L318-L334 PolarHBondContact O-N 2.86Å; L318-F336 HydrophobicContact CD1-CD2 4.13Å; L318-F336 HydrophobicContact CD1-CE2 3.54Å; L318-F336 HydrophobicContact CD2-CE2 3.44Å; L318-F336 VanDerWaalsContact CD2-CE2 3.44Å; L318-F336 HydrophobicContact CD2-CZ 3.88Å; L318-F336 HydrophobicContact CG-CE2 4.07Å; L318-L503 HydrophobicContact CD2-CD1 3.88Å
319	D	88	Confident	85.9	Confident	78 Å²	78	48.8 Å²	48.8	42%	0.417	25%	0.248	S	C	.	.	H	α-helix	trans	-71.5	-25.9	-179.1	-68.2	-22.5	0	0	0	111.6	N315 I316 V321	N315-D319 WeakPolarHBondContact O-CB 3.29Å; N315-D319 VanDerWaalsContact O-CG 3.24Å; N315-D319 PolarHBondContact O-N 2.94Å; I316-D319 PolarHBondContact O-N 2.91Å; D319-V321 VanDerWaalsContact C-N 3.3Å
320	G	85.7	Confident	85.3	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	15.1	-178.9	0	0	0	0	0	113.3	I316 L318 R328 F329 R330	I316-G320 PolarHBondContact O-N 2.99Å; L318-G320 VanDerWaalsContact C-N 3.25Å; L318-G320 PolarHBondContact O-N 3.45Å; G320-R328 CarbonylContact O-C 3.57Å; G320-R328 WeakPolarHBondContact O-CA 3.38Å; G320-F329 VanDerWaalsContact C-CE1 3.41Å; G320-F329 VanDerWaalsContact CA-CZ 3.48Å; G320-F329 WeakPolarHBondContact O-CD1 3.47Å; G320-F329 PolarHBondContact O-N 2.89Å; G320-R330 PolarHBondContact O-N 3.29Å; G320-R330 VanDerWaalsContact O-N 3.14Å
321	V	84.4	Confident	84.3	Confident	35 Å²	35	54.2 Å²	54.2	21%	0.212	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.1	-175.3	-177.4	0	0	0	0	109.4	I316 D319 P323 L327 R328	I316-V321 WeakPolarHBondContact CG2-O 3.28Å; D319-V321 VanDerWaalsContact C-N 3.3Å; V321-P323 WeakPolarHBondContact O-CD 3.21Å; V321-L327 CarbonylContact C-O 3.59Å; V321-L327 WeakPolarHBondContact CA-O 3.34Å; V321-R328 HydrophobicContact CG2-CB 4.13Å; V321-R328 HydrophobicContact CG2-CG 4Å
322	V	83.6	Confident	83.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	101.8	170.4	-176.6	0	0	0	0	108	Y295 T305 F308 I316 T324 E325 N326 L327 F329	Y295-V322 HydrophobicContact CD1-CG2 4.41Å; Y295-V322 HydrophobicContact CE1-CG2 4.13Å; T305-V322 HydrophobicContact CG2-CG1 4.46Å; T305-V322 HydrophobicContact CG2-CG2 3.86Å; F308-V322 HydrophobicContact CZ-CG1 4.29Å; I316-V322 HydrophobicContact CG2-CG2 4.06Å; V322-T324 VanDerWaalsContact C-N 3.34Å; V322-T324 WeakPolarHBondContact CG1-OG1 3.18Å; V322-T324 PolarHBondContact O-N 2.99Å; V322-E325 HydrophobicContact CG1-CB 4.14Å; V322-E325 HydrophobicContact CG1-CG 4.18Å; V322-E325 PolarHBondContact O-N 3.47Å; V322-N326 PolarHBondContact O-N 2.88Å; V322-N326 VanDerWaalsContact O-N 3.08Å; V322-L327 PolarHBondContact N-O 3.11Å; V322-L327 PolarHBondContact O-N 3.32Å; V322-L327 VanDerWaalsContact O-N 3.13Å; V322-F329 HydrophobicContact CG2-CD1 4Å; V322-F329 HydrophobicContact CG2-CE1 3.97Å
323	P	77.5	Confident	83.2	Confident	88 Å²	88	51.6 Å²	51.6	57%	0.571	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-64.1	-37.2	-171.2	-23.2	34.7	0	0	0	113	I316 V321 E325 N326	I316-P323 HydrophobicContact CG1-CG 4.41Å; V321-P323 WeakPolarHBondContact O-CD 3.21Å; P323-E325 PolarHBondContact O-N 3.22Å; P323-N326 PolarHBondContact O-N 2.92Å; P323-N326 VanDerWaalsContact O-N 3.15Å
324	T	78.4	Confident	82.4	Confident	102 Å²	102	51.9 Å²	51.9	63%	0.626	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-63.3	-25.7	-179.1	52.4	0	0	0	0	113.4	F308 V322	F308-T324 HydrophobicContact CE1-CG2 3.92Å; F308-T324 HydrophobicContact CZ-CG2 4.22Å; V322-T324 VanDerWaalsContact C-N 3.34Å; V322-T324 WeakPolarHBondContact CG1-OG1 3.18Å; V322-T324 PolarHBondContact O-N 2.99Å
325	E	76.6	Confident	81.4	Confident	61 Å²	61	55.4 Å²	55.4	29%	0.285	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-109.1	0.5	-180	-64.9	179.1	-130	0	0	111.9	R101 V322 P323 L327	R101-E325 IonicContact CZ-OE1 3.24Å; R101-E325 IonicContact CZ-OE2 3.46Å; R101-E325 VanDerWaalsContact NH1-CD 3.26Å; R101-E325 IonicContact NH1-OE1 2.83Å; R101-E325 PolarHBondContact NH1-OE1 3.31Å; R101-E325 IonicContact NH1-OE2 3.75Å; R101-E325 PolarHBondContact NH1-OE2 2.91Å; R101-E325 VanDerWaalsContact NH1-OE2 3.13Å; R101-E325 IonicContact NH2-OE1 2.7Å; R101-E325 IonicContact NH2-OE2 2.77Å; R101-E325 PolarHBondContact NH2-OE2 3.35Å; V322-E325 HydrophobicContact CG1-CB 4.14Å; V322-E325 HydrophobicContact CG1-CG 4.18Å; V322-E325 PolarHBondContact O-N 3.47Å; P323-E325 PolarHBondContact O-N 3.22Å; E325-L327 HydrophobicContact CB-CB 4Å; E325-L327 PolarHBondContact O-N 3.4Å; E325-L327 VanDerWaalsContact O-N 3.14Å
326	N	72.2	Confident	80.2	Confident	148 Å²	148	55.2 Å²	55.2	79%	0.791	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	39	-169.2	-165.8	27.7	0	0	0	112.6	V322 P323	V322-N326 PolarHBondContact O-N 2.88Å; V322-N326 VanDerWaalsContact O-N 3.08Å; P323-N326 PolarHBondContact O-N 2.92Å; P323-N326 VanDerWaalsContact O-N 3.15Å
327	L	78.9	Confident	78.9	Confident	36 Å²	36	62.3 Å²	62.3	19%	0.188	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.2	-171.3	-175.2	147.2	0	0	0	110.2	Y295 V321 V322 E325 F329	Y295-L327 HydrophobicContact CD2-CD2 4.05Å; Y295-L327 HydrophobicContact CE1-CD2 4.49Å; Y295-L327 HydrophobicContact CE2-CD1 4.2Å; Y295-L327 HydrophobicContact CE2-CD2 3.39Å; Y295-L327 HydrophobicContact CE2-CG 4.47Å; V321-L327 CarbonylContact C-O 3.59Å; V321-L327 WeakPolarHBondContact CA-O 3.34Å; V322-L327 PolarHBondContact N-O 3.11Å; V322-L327 PolarHBondContact O-N 3.32Å; V322-L327 VanDerWaalsContact O-N 3.13Å; E325-L327 HydrophobicContact CB-CB 4Å; E325-L327 PolarHBondContact O-N 3.4Å; E325-L327 VanDerWaalsContact O-N 3.14Å; L327-F329 HydrophobicContact CD2-CB 3.91Å; L327-F329 HydrophobicContact CD2-CD1 4.4Å
328	R	79	Confident	77.3	Confident	143 Å²	143	63.2 Å²	63.2	54%	0.54	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	114.7	169.7	-177.3	176	-66.7	-119.4	-1.4	109.2	G320 V321 R330 E331	G320-R328 CarbonylContact O-C 3.57Å; G320-R328 WeakPolarHBondContact O-CA 3.38Å; V321-R328 HydrophobicContact CG2-CB 4.13Å; V321-R328 HydrophobicContact CG2-CG 4Å; R328-R330 WeakPolarHBondContact CD-O 3.35Å; R328-R330 WeakPolarHBondContact CG-O 3.23Å; R328-E331 PolarHBondContact NH1-O 3.4Å
329	F	80.5	Confident	75.6	Confident	51 Å²	51	65.1 Å²	65.1	22%	0.224	34%	0.341	C	S	.	.	S	Bend	trans	-99.1	-11.8	175.7	63.9	-95.4	0	0	0	112.8	Y295 G320 V322 L327	Y295-F329 VanDerWaalsContact CB-CG 3.49Å; Y295-F329 HydrophobicContact CD1-CD1 4.28Å; Y295-F329 HydrophobicContact CD2-CB 3.48Å; Y295-F329 VanDerWaalsContact CD2-CB 3.48Å; Y295-F329 HydrophobicContact CD2-CD1 4.36Å; Y295-F329 HydrophobicContact CD2-CG 4.02Å; Y295-F329 HydrophobicContact CE2-CB 4.26Å; Y295-F329 HydrophobicContact CG-CB 3.8Å; Y295-F329 AromaticContact CG-CD1 3.94Å; Y295-F329 HydrophobicContact CG-CD1 3.94Å; Y295-F329 HydrophobicContact CG-CD2 4.38Å; Y295-F329 AromaticContact CG-CG 3.8Å; Y295-F329 HydrophobicContact CG-CG 3.8Å; G320-F329 VanDerWaalsContact C-CE1 3.41Å; G320-F329 VanDerWaalsContact CA-CZ 3.48Å; G320-F329 WeakPolarHBondContact O-CD1 3.47Å; G320-F329 PolarHBondContact O-N 2.89Å; V322-F329 HydrophobicContact CG2-CD1 4Å; V322-F329 HydrophobicContact CG2-CE1 3.97Å; L327-F329 HydrophobicContact CD2-CB 3.91Å; L327-F329 HydrophobicContact CD2-CD1 4.4Å
330	R	81.7	Confident	73.4	Confident	20 Å²	20	66 Å²	66	8%	0.075	34%	0.343	C	S	.	.			trans	-138.5	135	172.3	-171.3	173.1	58.5	-125.4	-14.4	111.2	F317 L318 G320 R328 T332 L334 E500	F317-R330 PolarHBondContact O-NH2 3.49Å; L318-R330 PolarHBondContact O-NH2 3.31Å; G320-R330 PolarHBondContact O-N 3.29Å; G320-R330 VanDerWaalsContact O-N 3.14Å; R328-R330 WeakPolarHBondContact CD-O 3.35Å; R328-R330 WeakPolarHBondContact CG-O 3.23Å; R330-T332 WeakPolarHBondContact CD-O 3.31Å; R330-T332 WeakPolarHBondContact CG-O 3.43Å; R330-T332 PolarHBondContact NE-O 2.89Å; R330-L334 VanDerWaalsContact CZ-CG 3.47Å; R330-L334 VanDerWaalsContact NH2-CD1 3.29Å; R330-E500 WeakPolarHBondContact CD-OE1 3.39Å; R330-E500 IonicContact CZ-OE2 3.63Å; R330-E500 IonicContact NH1-OE2 2.81Å; R330-E500 PolarHBondContact NH1-OE2 2.91Å
331	E	73.1	Confident	71.2	Confident	152 Å²	152	70.7 Å²	70.7	71%	0.71	37%	0.371	S	S	*	.	S	Bend	trans	-66.1	-46.4	-178	-66.7	-59.2	158.4	0	0	112.6	R328	R328-E331 PolarHBondContact NH1-O 3.4Å
332	T	78.9	Confident	69.2	Low	85 Å²	85	71.9 Å²	71.9	52%	0.521	39%	0.391	S	S	.	.	S	Bend	trans	-101.8	126.2	-177.1	55.3	0	0	0	0	111.3	R330	R330-T332 WeakPolarHBondContact CD-O 3.31Å; R330-T332 WeakPolarHBondContact CG-O 3.43Å; R330-T332 PolarHBondContact NE-O 2.89Å
333	P	81.5	Confident	67	Low	56 Å²	56	78.6 Å²	78.6	36%	0.364	43%	0.427	S	S	.	.			trans	-68.1	150.9	171.5	29	-34	0	0	0	110.9	L318 V335	L318-P333 CarbonylContact O-C 3.53Å; L318-P333 WeakPolarHBondContact O-CA 3.34Å; P333-V335 HydrophobicContact CB-CG2 4.25Å; P333-V335 HydrophobicContact CG-CG2 4.03Å; P333-V335 PolarHBondContact O-N 2.77Å
334	L	76.4	Confident	65.3	Low	5 Å²	5	83.2 Å²	83.2	3%	0.026	44%	0.44	C	S	.	.			trans	-88.1	80.7	173.7	-65.3	169.4	0	0	0	108.6	F317 L318 R330 E500 L503	F317-L334 HydrophobicContact CE1-CD1 4.49Å; L318-L334 HydrophobicContact CB-CB 4.33Å; L318-L334 HydrophobicContact CD2-CB 3.81Å; L318-L334 HydrophobicContact CD2-CD1 4.1Å; L318-L334 WeakPolarHBondContact O-CB 3.4Å; L318-L334 PolarHBondContact O-N 2.86Å; R330-L334 VanDerWaalsContact CZ-CG 3.47Å; R330-L334 VanDerWaalsContact NH2-CD1 3.29Å; L334-E500 HydrophobicContact CD1-CG 4.46Å; L334-L503 HydrophobicContact CB-CD1 4.08Å; L334-L503 HydrophobicContact CD1-CD1 3.62Å; L334-L503 HydrophobicContact CD2-CB 4.06Å; L334-L503 HydrophobicContact CD2-CD1 4.27Å; L334-L503 HydrophobicContact CG-CD1 4.2Å
335	V	71.7	Confident	63.6	Low	74 Å²	74	86.5 Å²	86.5	45%	0.448	45%	0.449	S	S	.	.			trans	-77.1	131.9	179.3	-174.1	0	0	0	0	111.2	P333 K337	P333-V335 HydrophobicContact CB-CG2 4.25Å; P333-V335 HydrophobicContact CG-CG2 4.03Å; P333-V335 PolarHBondContact O-N 2.77Å; V335-K337 HydrophobicContact CG1-CG 4.04Å
336	F	65.9	Low	62	Low	10 Å²	10	91.5 Å²	91.5	4%	0.044	47%	0.472	C	S	.	.			trans	-97	99.6	163.4	-62.3	-73	0	0	0	108.8	L318 L503 I528 Y532 R579	L318-F336 HydrophobicContact CD1-CD2 4.13Å; L318-F336 HydrophobicContact CD1-CE2 3.54Å; L318-F336 HydrophobicContact CD2-CE2 3.44Å; L318-F336 VanDerWaalsContact CD2-CE2 3.44Å; L318-F336 HydrophobicContact CD2-CZ 3.88Å; L318-F336 HydrophobicContact CG-CE2 4.07Å; F336-L503 HydrophobicContact CD1-CD2 4.39Å; F336-L503 HydrophobicContact CE1-CD1 4.45Å; F336-L503 HydrophobicContact CE1-CD2 3.14Å; F336-L503 HydrophobicContact CE1-CG 4.4Å; F336-L503 HydrophobicContact CZ-CD1 3.79Å; F336-L503 HydrophobicContact CZ-CD2 3.29Å; F336-L503 HydrophobicContact CZ-CG 4.19Å; F336-I528 HydrophobicContact CD1-CG2 3.87Å; F336-I528 HydrophobicContact CE1-CB 4.45Å; F336-I528 HydrophobicContact CE1-CG2 3Å; F336-I528 HydrophobicContact CE2-CG2 4.48Å; F336-I528 HydrophobicContact CZ-CG2 3.38Å; F336-Y532 HydrophobicContact CD1-CD2 4.43Å; F336-R579 HydrophobicContact CD2-CB 3.84Å; F336-R579 HydrophobicContact CE2-CB 4.43Å; F336-R579 HydrophobicContact CG-CB 4.34Å
337	K	62.5	Low	61	Low	161 Å²	161	88.8 Å²	88.8	70%	0.7	46%	0.457	S	S	*	.			trans	-98.1	101.5	153.9	-70.9	-170.7	177.2	-172	0	105.4	V335 S339	V335-K337 HydrophobicContact CG1-CG 4.04Å; K337-S339 VanDerWaalsContact C-N 3.26Å; K337-S339 PolarHBondContact O-N 3.2Å
338	V	58.3	Low	59.6	Low	23 Å²	23	95.3 Å²	95.3	14%	0.139	48%	0.484	C	S	.	.			trans	-56.5	109.3	153.2	180	0	0	0	0	102.7	E340 L556	V338-E340 VanDerWaalsContact C-N 3.31Å; V338-E340 PolarHBondContact O-N 2.73Å; V338-L556 HydrophobicContact CG1-CD2 4.3Å
339	S	52.4	Low	58.7	Low	40 Å²	40	94.3 Å²	94.3	28%	0.28	48%	0.48	S	S	.	.			trans	-65.6	107.1	176.3	51.9	0	0	0	0	104.9	K337 T341 K510	K337-S339 VanDerWaalsContact C-N 3.26Å; K337-S339 PolarHBondContact O-N 3.2Å; S339-T341 VanDerWaalsContact CB-OG1 3.24Å; S339-T341 WeakPolarHBondContact CB-OG1 3.39Å; S339-T341 PolarHBondContact O-N 2.92Å; S339-T341 PolarHBondContact O-OG1 3.23Å; S339-T341 PolarHBondContact OG-OG1 3.42Å; S339-K510 PolarHBondContact OG-NZ 3.33Å
340	E	42.7	Very low	57.8	Low	97 Å²	97	97.6 Å²	97.6	45%	0.453	50%	0.504	S	S	.	.			trans	-69.2	50.6	152.7	-72.2	172.5	-178.9	0	0	108.3	V338 G342 N343 R573	V338-E340 VanDerWaalsContact C-N 3.31Å; V338-E340 PolarHBondContact O-N 2.73Å; E340-G342 PolarHBondContact O-N 2.79Å; E340-N343 PolarHBondContact O-N 2.72Å; E340-N343 VanDerWaalsContact O-N 3.08Å; E340-R573 IonicContact OE1-CZ 3.42Å; E340-R573 VanDerWaalsContact OE1-CZ 3.24Å; E340-R573 IonicContact OE1-NH1 2.96Å; E340-R573 PolarHBondContact OE1-NH1 3.19Å; E340-R573 IonicContact OE1-NH2 2.79Å; E340-R573 PolarHBondContact OE1-NH2 3.16Å
341	T	39.9	Very low	57.3	Low	97 Å²	97	97.9 Å²	97.9	60%	0.595	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	48.3	157.2	38	0	0	0	0	108.7	S339	S339-T341 VanDerWaalsContact CB-OG1 3.24Å; S339-T341 WeakPolarHBondContact CB-OG1 3.39Å; S339-T341 PolarHBondContact O-N 2.92Å; S339-T341 PolarHBondContact O-OG1 3.23Å; S339-T341 PolarHBondContact OG-OG1 3.42Å
342	G	40.6	Very low	57.6	Low	60 Å²	60	99 Å²	99	62%	0.619	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-9.2	142.5	0	0	0	0	0	111.3	E340 E344	E340-G342 PolarHBondContact O-N 2.79Å; G342-E344 PolarHBondContact O-N 3.43Å
343	N	38.4	Very low	58.1	Low	142 Å²	142	98.3 Å²	98.3	76%	0.759	50%	0.497	S	S	*	.	S	Bend	trans	-72	86.3	164.4	-76.7	-0.4	0	0	0	109.4	E340 E345	E340-N343 PolarHBondContact O-N 2.72Å; E340-N343 VanDerWaalsContact O-N 3.08Å; N343-E345 PolarHBondContact O-N 3.45Å
344	E	41.5	Very low	58.4	Low	184 Å²	184	100.2 Å²	100.2	86%	0.86	51%	0.505	S	S	*	.				14.9	24.6	129.4	-60.8	-175.3	163.3	0	0	120.8	G342 E346	G342-E344 PolarHBondContact O-N 3.43Å; E344-E346 PolarHBondContact O-N 3.41Å
345	E	43	Very low	59	Low	171 Å²	171	100.2 Å²	100.2	80%	0.799	50%	0.504	S	S	*	.			trans	-69.8	96.7	139.5	-73	-163.8	171.5	0	0	104.3	N343 L347	N343-E345 PolarHBondContact O-N 3.45Å; E345-L347 PolarHBondContact O-N 2.78Å
346	E	42.2	Very low	60	Low	166 Å²	166	98.7 Å²	98.7	78%	0.776	50%	0.496	S	S	*	.			trans	-47.1	80.6	157.6	-67.5	-179.7	152.1	0	0	107.5	E344 K348	E344-E346 PolarHBondContact O-N 3.41Å; E346-K348 PolarHBondContact O-N 2.77Å
347	L	52.2	Low	61.2	Low	91 Å²	91	101.9 Å²	101.9	48%	0.476	52%	0.516	S	S	.	.			trans	-51.9	105.8	146.5	-99.8	101.7	0	0	0	101.6	E345 R349	E345-L347 PolarHBondContact O-N 2.78Å; L347-R349 WeakPolarHBondContact O-CG 3.24Å; L347-R349 PolarHBondContact O-N 2.82Å
348	K	49.2	Very low	62.6	Low	174 Å²	174	94.3 Å²	94.3	76%	0.757	48%	0.483	S	S	*	.			trans	-56.7	90.6	175.5	-70.6	-179.4	176.6	-179.6	0	105.4	E346 T350	E346-K348 PolarHBondContact O-N 2.77Å; K348-T350 HydrophobicContact CB-CG2 4.23Å; K348-T350 PolarHBondContact O-N 3.31Å
349	R	60.2	Low	64.3	Low	122 Å²	122	97.4 Å²	97.4	46%	0.46	49%	0.493	S	S	.	.			trans	-71.3	87.2	176.9	-77.5	170	-176.8	-139.5	10.8	104.8	L347 T375 D376 E378	L347-R349 WeakPolarHBondContact O-CG 3.24Å; L347-R349 PolarHBondContact O-N 2.82Å; R349-T375 HydrophobicContact CB-CG2 4.1Å; R349-T375 WeakPolarHBondContact CD-OG1 3.11Å; R349-T375 HydrophobicContact CG-CG2 4.39Å; R349-T375 PolarHBondContact NH1-OG1 3.31Å; R349-T375 VanDerWaalsContact NH1-OG1 3.08Å; R349-D376 VanDerWaalsContact C-OD1 3.25Å; R349-D376 WeakPolarHBondContact CA-OD1 3.41Å; R349-E378 IonicContact NH1-OE2 2.73Å; R349-E378 PolarHBondContact NH1-OE2 3.46Å; R349-E378 VanDerWaalsContact NH1-OE2 3.11Å
350	T	62.1	Low	66.2	Low	119 Å²	119	96.7 Å²	96.7	73%	0.73	49%	0.485	S	S	*	.			trans	-79.6	-30.2	-166.7	41	0	0	0	0	112.1	K348 D376	K348-T350 HydrophobicContact CB-CG2 4.23Å; K348-T350 PolarHBondContact O-N 3.31Å; T350-D376 PolarHBondContact N-OD1 3.16Å; T350-D376 VanDerWaalsContact N-OD1 3.09Å; T350-D376 PolarHBondContact N-OD2 3.39Å; T350-D376 PolarHBondContact OG1-OD2 2.82Å
351	A	71.1	Confident	68.6	Low	27 Å²	27	95.3 Å²	95.3	22%	0.223	48%	0.481	C	S	.	.			trans	-111.6	122.2	-177.3	0	0	0	0	0	110.1	Y353 T375 D376	A351-Y353 HydrophobicContact CB-CE2 3.89Å; A351-T375 VanDerWaalsContact O-CA 3.26Å; A351-T375 WeakPolarHBondContact O-CA 3.2Å; A351-D376 HydrophobicContact CB-CB 4.37Å; A351-D376 PolarHBondContact N-OD1 3.2Å; A351-D376 PolarHBondContact O-N 3.4Å; A351-D376 VanDerWaalsContact O-N 3.15Å
352	R	80	Confident	70.9	Confident	176 Å²	176	94.6 Å²	94.6	66%	0.664	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.1	170.9	-170.6	176.9	-176.1	164.7	5.8	108.6	D354 S373	R352-D354 IonicContact NE-OD1 2.88Å; R352-S373 PolarHBondContact NE-OG 2.76Å; R352-S373 PolarHBondContact NH2-OG 3.44Å
353	Y	87.4	Confident	73.2	Confident	70 Å²	70	94.7 Å²	94.7	28%	0.275	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.6	174.4	-58.4	-78.4	0	0	0	108.6	A351 S373 F374 L412	A351-Y353 HydrophobicContact CB-CE2 3.89Å; Y353-S373 CarbonylContact O-C 3.51Å; Y353-S373 VanDerWaalsContact O-CA 3.29Å; Y353-S373 WeakPolarHBondContact O-CA 3.35Å; Y353-F374 VanDerWaalsContact CB-CE2 3.45Å; Y353-F374 VanDerWaalsContact CB-CZ 3.41Å; Y353-F374 AromaticContact CD2-CD2 3.86Å; Y353-F374 HydrophobicContact CD2-CD2 3.86Å; Y353-F374 AromaticContact CD2-CE2 3.53Å; Y353-F374 HydrophobicContact CD2-CE2 3.53Å; Y353-F374 HydrophobicContact CD2-CZ 4.3Å; Y353-F374 HydrophobicContact CE2-CE2 4.5Å; Y353-F374 HydrophobicContact CG-CD2 4.25Å; Y353-F374 AromaticContact CG-CE2 3.7Å; Y353-F374 HydrophobicContact CG-CE2 3.7Å; Y353-F374 HydrophobicContact CG-CZ 4Å; Y353-F374 PolarHBondContact N-O 2.97Å; Y353-F374 PolarHBondContact O-N 3.45Å; Y353-L412 HydrophobicContact CD1-CD1 4.16Å; Y353-L412 HydrophobicContact CD1-CD2 3.78Å; Y353-L412 HydrophobicContact CE1-CD2 3.48Å; Y353-L412 VanDerWaalsContact CE1-CD2 3.48Å; Y353-L412 HydrophobicContact CG-CD1 4.35Å
354	D	88.5	Confident	75.5	Confident	96 Å²	96	92.7 Å²	92.7	51%	0.513	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.5	176.9	-58.1	-47.4	0	0	0	109.4	R352 G372 S373	R352-D354 IonicContact NE-OD1 2.88Å; D354-G372 WeakPolarHBondContact CA-O 3.31Å; D354-S373 WeakPolarHBondContact OD1-CB 3.17Å
355	Y	90.2	Very high	78	Confident	5 Å²	5	84.8 Å²	84.8	2%	0.02	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.7	166.8	62.6	-93.7	0	0	0	109.5	M358 V369 E370 A371 G372 F374 F393 F521 P553	Y355-M358 HydrophobicContact CD2-CE 3.92Å; Y355-V369 HydrophobicContact CD2-CG1 4.36Å; Y355-V369 HydrophobicContact CE2-CG1 3.79Å; Y355-E370 WeakPolarHBondContact CE2-O 3.35Å; Y355-A371 WeakPolarHBondContact O-CA 3.42Å; Y355-G372 WeakPolarHBondContact CD1-O 3.48Å; Y355-G372 PolarHBondContact N-O 2.95Å; Y355-G372 PolarHBondContact O-N 3.46Å; Y355-G372 VanDerWaalsContact O-N 3.1Å; Y355-F374 AromaticContact CD1-CD1 3.94Å; Y355-F374 HydrophobicContact CD1-CD1 3.94Å; Y355-F374 HydrophobicContact CD1-CE1 4.11Å; Y355-F374 HydrophobicContact CE1-CD1 4.33Å; Y355-F393 HydrophobicContact CD2-CE2 4.48Å; Y355-F393 HydrophobicContact CD2-CZ 4.43Å; Y355-F393 HydrophobicContact CE1-CZ 4.42Å; Y355-F393 HydrophobicContact CE2-CE2 4.28Å; Y355-F393 AromaticContact CE2-CZ 3.87Å; Y355-F393 HydrophobicContact CE2-CZ 3.87Å; Y355-F393 AromaticContact CZ-CZ 3.86Å; Y355-F521 HydrophobicContact CE1-CZ 4.49Å; Y355-P553 HydrophobicContact CE1-CG 4.21Å; Y355-P553 VanDerWaalsContact OH-CD 3.24Å; Y355-P553 WeakPolarHBondContact OH-CD 3.36Å; Y355-P553 VanDerWaalsContact OH-CG 3.31Å; Y355-P553 WeakPolarHBondContact OH-CG 3.25Å
356	P	90.8	Very high	80.4	Confident	41 Å²	41	78.7 Å²	78.7	27%	0.266	41%	0.407	S	S	.	.			trans	-71.1	165.6	-179	31	-35.2	0	0	0	110.9	M358 Q407	P356-M358 PolarHBondContact O-N 3.25Å; P356-Q407 HydrophobicContact CB-CG 4.48Å; P356-Q407 HydrophobicContact CG-CB 3.96Å; P356-Q407 HydrophobicContact CG-CG 4.43Å
357	T	92.5	Very high	83	Confident	78 Å²	78	70.8 Å²	70.8	48%	0.479	37%	0.37	S	S	.	.			trans	-57.2	123.3	166.5	-58.5	0	0	0	0	108.3	V369 A371 Q407	T357-V369 CarbonylContact C-O 3.58Å; T357-V369 WeakPolarHBondContact CA-O 3.16Å; T357-V369 VanDerWaalsContact CG2-O 3.29Å; T357-V369 WeakPolarHBondContact CG2-O 3.25Å; T357-A371 WeakPolarHBondContact OG1-CB 3.47Å; T357-A371 PolarHBondContact OG1-N 2.94Å; T357-Q407 PolarHBondContact O-NE2 2.95Å; T357-Q407 PolarHBondContact O-OE1 3.03Å
358	M	92.4	Very high	85	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146.3	-180	-70.7	174.7	-78	0	0	111.5	Y355 P356 V369 F393 M396 P403	Y355-M358 HydrophobicContact CD2-CE 3.92Å; P356-M358 PolarHBondContact O-N 3.25Å; M358-V369 HydrophobicContact CB-CB 4.14Å; M358-V369 HydrophobicContact CE-CB 4.46Å; M358-V369 HydrophobicContact CE-CG1 4.1Å; M358-V369 PolarHBondContact N-O 3.37Å; M358-V369 PolarHBondContact O-N 3.39Å; M358-F393 HydrophobicContact CE-CD2 4.05Å; M358-F393 HydrophobicContact CE-CE2 3.58Å; M358-M396 HydrophobicContact CB-CE 4.42Å; M358-M396 HydrophobicContact CB-SD 4.47Å; M358-M396 HydrophobicContact SD-CB 4.2Å; M358-M396 HydrophobicContact SD-SD 4.41Å; M358-P403 HydrophobicContact CB-CB 4.06Å; M358-P403 HydrophobicContact CG-CB 3.98Å; M358-P403 HydrophobicContact CG-CG 4.32Å; M358-P403 HydrophobicContact SD-CB 4.36Å; M358-P403 HydrophobicContact SD-CG 4.43Å
359	Y	93.2	Very high	87.2	Confident	89 Å²	89	60.1 Å²	60.1	35%	0.349	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.8	171.7	-174.2	-106.2	0	0	0	110.2	N361 D366 L367 T368 D404	Y359-N361 HydrophobicContact CE1-CB 4.04Å; Y359-D366 HydrophobicContact CE2-CB 4.36Å; Y359-D366 PolarHBondContact OH-OD1 3.06Å; Y359-L367 CarbonylContact C-O 3.56Å; Y359-L367 WeakPolarHBondContact CA-O 3.22Å; Y359-T368 HydrophobicContact CD2-CG2 3.66Å; Y359-T368 HydrophobicContact CE2-CG2 3.94Å; Y359-D404 HydrophobicContact CD1-CB 4.03Å; Y359-D404 PolarHBondContact O-N 3.02Å
360	K	92.5	Very high	88.9	Confident	25 Å²	25	58.4 Å²	58.4	11%	0.109	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	119.2	171	-169.6	73.9	-164.1	167.2	0	111.6	L362 L367 T392 M396 L401 K402 D404	K360-L362 HydrophobicContact CG-CD2 4.16Å; K360-L362 HydrophobicContact CG-CG 4.1Å; K360-L367 HydrophobicContact CB-CB 4.41Å; K360-L367 PolarHBondContact N-O 2.68Å; K360-L367 PolarHBondContact O-N 3.35Å; K360-T392 HydrophobicContact CG-CG2 4.23Å; K360-M396 HydrophobicContact CB-SD 3.97Å; K360-M396 HydrophobicContact CG-SD 4.46Å; K360-L401 HydrophobicContact CD-CD2 4.19Å; K360-L401 HydrophobicContact CD-CG 4.37Å; K360-L401 HydrophobicContact CG-CD2 4.21Å; K360-K402 WeakPolarHBondContact CD-O 3.29Å; K360-K402 PolarHBondContact NZ-O 2.97Å; K360-D404 WeakPolarHBondContact CA-OD2 3.29Å; K360-D404 IonicContact NZ-OD1 3.46Å; K360-D404 PolarHBondContact NZ-OD1 3.21Å
361	N	92.8	Very high	90.4	Very high	68 Å²	68	55 Å²	55	36%	0.364	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.4	167.2	-179.7	-64.7	0	0	0	109.5	Y359 G363 D366 D404	Y359-N361 HydrophobicContact CE1-CB 4.04Å; N361-G363 WeakPolarHBondContact OD1-CA 3.34Å; N361-G363 PolarHBondContact OD1-N 3.34Å; N361-D366 WeakPolarHBondContact CB-OD1 3.28Å; N361-D366 PolarHBondContact ND2-OD1 3.08Å; N361-D404 PolarHBondContact N-OD2 3.16Å
362	L	89.1	Confident	91.4	Very high	82 Å²	82	54 Å²	54	43%	0.429	30%	0.297	S	S	.	.			trans	-121.1	52.8	175.3	-65.6	176.6	0	0	0	109.9	K360 S364 F365 T392	K360-L362 HydrophobicContact CG-CD2 4.16Å; K360-L362 HydrophobicContact CG-CG 4.1Å; L362-S364 PolarHBondContact O-N 3Å; L362-S364 VanDerWaalsContact O-N 3.16Å; L362-F365 HydrophobicContact CB-CD1 4.48Å; L362-F365 HydrophobicContact CD1-CD1 4.29Å; L362-F365 PolarHBondContact N-O 3.38Å; L362-T392 HydrophobicContact CD1-CG2 3.87Å
363	G	88.8	Confident	91.9	Very high	61 Å²	61	46.8 Å²	46.8	63%	0.629	27%	0.273	S	S	*	.	S	Bend	trans	78.6	-95.4	-178.6	0	0	0	0	0	111.5	N361 F365	N361-G363 WeakPolarHBondContact OD1-CA 3.34Å; N361-G363 PolarHBondContact OD1-N 3.34Å; G363-F365 VanDerWaalsContact C-N 3.35Å
364	S	86.7	Confident	92.1	Very high	101 Å²	101	43.7 Å²	43.7	71%	0.706	26%	0.261	S	S	*	.	S	Bend	trans	-85.9	-7	179.9	65.7	0	0	0	0	114.1	L362	L362-S364 PolarHBondContact O-N 3Å; L362-S364 VanDerWaalsContact O-N 3.16Å
365	F	92.6	Very high	92.1	Very high	17 Å²	17	40 Å²	40	8%	0.075	24%	0.242	C	C	.	.			trans	-120.2	124.7	-173.3	175.5	-111.3	0	0	0	111.6	L362 G363 L367 G387 V546 A548	L362-F365 HydrophobicContact CB-CD1 4.48Å; L362-F365 HydrophobicContact CD1-CD1 4.29Å; L362-F365 PolarHBondContact N-O 3.38Å; G363-F365 VanDerWaalsContact C-N 3.35Å; F365-L367 HydrophobicContact CE1-CB 3.78Å; F365-L367 HydrophobicContact CZ-CB 4.08Å; F365-L367 HydrophobicContact CZ-CD1 4.41Å; F365-G387 WeakPolarHBondContact CE2-O 3.47Å; F365-V546 WeakPolarHBondContact CA-O 3.18Å; F365-A548 HydrophobicContact CE2-CB 3.89Å; F365-A548 HydrophobicContact CZ-CB 3.93Å
366	D	94.4	Very high	91.9	Very high	44 Å²	44	40.9 Å²	40.9	24%	0.235	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.9	174.7	-68.6	-36.7	0	0	0	111.4	Y359 N361 V546 K547 A548	Y359-D366 HydrophobicContact CE2-CB 4.36Å; Y359-D366 PolarHBondContact OH-OD1 3.06Å; N361-D366 WeakPolarHBondContact CB-OD1 3.28Å; N361-D366 PolarHBondContact ND2-OD1 3.08Å; D366-V546 PolarHBondContact N-O 3.28Å; D366-K547 HydrophobicContact CB-CG 4.31Å; D366-K547 CarbonylContact O-C 3.57Å; D366-K547 VanDerWaalsContact O-CA 3.29Å; D366-K547 WeakPolarHBondContact O-CA 3.36Å; D366-A548 PolarHBondContact O-N 3.19Å
367	L	95.9	Very high	91.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.8	172.7	179.3	63.1	0	0	0	110.3	Y359 K360 F365 V369 T392 M396 F540 A548	Y359-L367 CarbonylContact C-O 3.56Å; Y359-L367 WeakPolarHBondContact CA-O 3.22Å; K360-L367 HydrophobicContact CB-CB 4.41Å; K360-L367 PolarHBondContact N-O 2.68Å; K360-L367 PolarHBondContact O-N 3.35Å; F365-L367 HydrophobicContact CE1-CB 3.78Å; F365-L367 HydrophobicContact CZ-CB 4.08Å; F365-L367 HydrophobicContact CZ-CD1 4.41Å; L367-V369 HydrophobicContact CD1-CG2 4.36Å; L367-V369 HydrophobicContact CD2-CG2 4.13Å; L367-V369 HydrophobicContact CG-CG2 4.02Å; L367-T392 HydrophobicContact CD2-CG2 3.82Å; L367-M396 HydrophobicContact CD2-CE 3.76Å; L367-F540 HydrophobicContact CD1-CD1 4.36Å; L367-F540 HydrophobicContact CD1-CE1 4.02Å; L367-A548 HydrophobicContact CD1-CB 4.28Å
368	T	95.3	Very high	91.6	Very high	39 Å²	39	35.7 Å²	35.7	24%	0.239	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.4	168.7	46.4	0	0	0	0	108.4	Y359 A548 T549 A550	Y359-T368 HydrophobicContact CD2-CG2 3.66Å; Y359-T368 HydrophobicContact CE2-CG2 3.94Å; T368-A548 PolarHBondContact N-O 3.35Å; T368-A548 PolarHBondContact OG1-O 3.19Å; T368-T549 CarbonylContact O-C 3.56Å; T368-T549 VanDerWaalsContact O-CA 3.31Å; T368-T549 WeakPolarHBondContact O-CA 3.44Å; T368-T549 WeakPolarHBondContact OG1-CA 3.48Å; T368-T549 WeakPolarHBondContact OG1-CG2 3.17Å; T368-A550 PolarHBondContact O-N 2.82Å
369	V	95.2	Very high	91.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.5	175.5	179.2	0	0	0	0	107.2	Y355 T357 M358 L367 F393 M396 A550	Y355-V369 HydrophobicContact CD2-CG1 4.36Å; Y355-V369 HydrophobicContact CE2-CG1 3.79Å; T357-V369 CarbonylContact C-O 3.58Å; T357-V369 WeakPolarHBondContact CA-O 3.16Å; T357-V369 VanDerWaalsContact CG2-O 3.29Å; T357-V369 WeakPolarHBondContact CG2-O 3.25Å; M358-V369 HydrophobicContact CB-CB 4.14Å; M358-V369 HydrophobicContact CE-CB 4.46Å; M358-V369 HydrophobicContact CE-CG1 4.1Å; M358-V369 PolarHBondContact N-O 3.37Å; M358-V369 PolarHBondContact O-N 3.39Å; L367-V369 HydrophobicContact CD1-CG2 4.36Å; L367-V369 HydrophobicContact CD2-CG2 4.13Å; L367-V369 HydrophobicContact CG-CG2 4.02Å; V369-F393 HydrophobicContact CG1-CD2 4Å; V369-F393 HydrophobicContact CG1-CE1 4.41Å; V369-F393 HydrophobicContact CG1-CE2 3.65Å; V369-F393 HydrophobicContact CG1-CZ 3.87Å; V369-F393 HydrophobicContact CG2-CD2 4.01Å; V369-F393 HydrophobicContact CG2-CE2 4.5Å; V369-F393 HydrophobicContact CG2-CG 4.26Å; V369-M396 HydrophobicContact CG2-CE 3.83Å; V369-A550 HydrophobicContact CB-CB 4.3Å; V369-A550 HydrophobicContact CG1-CB 4.18Å; V369-A550 HydrophobicContact CG2-CB 4.04Å
370	E	95.4	Very high	91.9	Very high	86 Å²	86	31.4 Å²	31.4	40%	0.402	20%	0.198	S	C	.	.			trans	-68.1	145.5	175.5	-67.2	177.2	174.8	0	0	110.8	Y355 G372 A550 T551 T552	Y355-E370 WeakPolarHBondContact CE2-O 3.35Å; E370-G372 PolarHBondContact O-N 2.79Å; E370-A550 PolarHBondContact N-O 2.64Å; E370-T551 VanDerWaalsContact OE2-CA 3.32Å; E370-T551 WeakPolarHBondContact OE2-CA 3.49Å; E370-T552 PolarHBondContact OE2-N 2.99Å
371	A	92.9	Very high	92	Very high	47 Å²	47	30.2 Å²	30.2	39%	0.388	19%	0.193	S	C	.	.			trans	-55.1	141.3	173.5	0	0	0	0	0	111.3	Y355 T357 T552	Y355-A371 WeakPolarHBondContact O-CA 3.42Å; T357-A371 WeakPolarHBondContact OG1-CB 3.47Å; T357-A371 PolarHBondContact OG1-N 2.94Å; A371-T552 WeakPolarHBondContact O-CB 3.01Å; A371-T552 PolarHBondContact O-OG1 3.34Å
372	G	92.6	Very high	92.2	Very high	8 Å²	8	27 Å²	27	8%	0.082	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	165.2	-178.1	0	0	0	0	0	111.9	D354 Y355 E370	D354-G372 WeakPolarHBondContact CA-O 3.31Å; Y355-G372 WeakPolarHBondContact CD1-O 3.48Å; Y355-G372 PolarHBondContact N-O 2.95Å; Y355-G372 PolarHBondContact O-N 3.46Å; Y355-G372 VanDerWaalsContact O-N 3.1Å; E370-G372 PolarHBondContact O-N 2.79Å
373	S	91.3	Very high	92.4	Very high	24 Å²	24	23.2 Å²	23.2	17%	0.168	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.3	178.4	64	0	0	0	0	110.1	R352 Y353 D354 R536	R352-S373 PolarHBondContact NE-OG 2.76Å; R352-S373 PolarHBondContact NH2-OG 3.44Å; Y353-S373 CarbonylContact O-C 3.51Å; Y353-S373 VanDerWaalsContact O-CA 3.29Å; Y353-S373 WeakPolarHBondContact O-CA 3.35Å; D354-S373 WeakPolarHBondContact OD1-CB 3.17Å; S373-R536 PolarHBondContact O-NH1 3.39Å; S373-R536 PolarHBondContact O-NH2 2.84Å
374	F	91.5	Very high	92.6	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152.4	176.9	66.7	-92.7	0	0	0	112.6	Y353 Y355 E378 I380 L412 V487 T519 F521 R536	Y353-F374 VanDerWaalsContact CB-CE2 3.45Å; Y353-F374 VanDerWaalsContact CB-CZ 3.41Å; Y353-F374 AromaticContact CD2-CD2 3.86Å; Y353-F374 HydrophobicContact CD2-CD2 3.86Å; Y353-F374 AromaticContact CD2-CE2 3.53Å; Y353-F374 HydrophobicContact CD2-CE2 3.53Å; Y353-F374 HydrophobicContact CD2-CZ 4.3Å; Y353-F374 HydrophobicContact CE2-CE2 4.5Å; Y353-F374 HydrophobicContact CG-CD2 4.25Å; Y353-F374 AromaticContact CG-CE2 3.7Å; Y353-F374 HydrophobicContact CG-CE2 3.7Å; Y353-F374 HydrophobicContact CG-CZ 4Å; Y353-F374 PolarHBondContact N-O 2.97Å; Y353-F374 PolarHBondContact O-N 3.45Å; Y355-F374 AromaticContact CD1-CD1 3.94Å; Y355-F374 HydrophobicContact CD1-CD1 3.94Å; Y355-F374 HydrophobicContact CD1-CE1 4.11Å; Y355-F374 HydrophobicContact CE1-CD1 4.33Å; F374-E378 WeakPolarHBondContact CA-OE1 3.45Å; F374-E378 WeakPolarHBondContact CB-OE1 3.02Å; F374-I380 HydrophobicContact CB-CD1 3.59Å; F374-L412 HydrophobicContact CE2-CD1 4.16Å; F374-L412 HydrophobicContact CZ-CD1 3.63Å; F374-V487 HydrophobicContact CE2-CG2 3.87Å; F374-V487 HydrophobicContact CZ-CG2 4.14Å; F374-T519 HydrophobicContact CB-CG2 4.38Å; F374-T519 HydrophobicContact CD2-CG2 3.68Å; F374-T519 HydrophobicContact CE2-CG2 4.3Å; F374-T519 HydrophobicContact CG-CG2 4.33Å; F374-F521 HydrophobicContact CB-CZ 4.45Å; F374-F521 HydrophobicContact CD1-CE2 4.18Å; F374-F521 AromaticContact CD1-CZ 3.83Å; F374-F521 HydrophobicContact CD1-CZ 3.83Å; F374-F521 HydrophobicContact CD2-CE2 4.5Å; F374-F521 HydrophobicContact CE1-CE2 4.25Å; F374-F521 HydrophobicContact CE1-CZ 4.18Å; F374-F521 HydrophobicContact CG-CE2 4.29Å; F374-F521 HydrophobicContact CG-CZ 4.15Å; F374-F521 HydrophobicContact CZ-CE2 4.42Å; F374-R536 VanDerWaalsContact CA-NH2 3.32Å
375	T	88.9	Confident	92.8	Very high	20 Å²	20	17.4 Å²	17.4	12%	0.123	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	165.4	-177.7	65.4	0	0	0	0	111.2	R349 A351 E378 T519	R349-T375 HydrophobicContact CB-CG2 4.1Å; R349-T375 WeakPolarHBondContact CD-OG1 3.11Å; R349-T375 HydrophobicContact CG-CG2 4.39Å; R349-T375 PolarHBondContact NH1-OG1 3.31Å; R349-T375 VanDerWaalsContact NH1-OG1 3.08Å; A351-T375 VanDerWaalsContact O-CA 3.26Å; A351-T375 WeakPolarHBondContact O-CA 3.2Å; T375-E378 PolarHBondContact N-OE1 2.83Å; T375-E378 WeakPolarHBondContact O-CG 2.97Å; T375-T519 PolarHBondContact O-OG1 2.64Å
376	D	84.8	Confident	92.7	Very high	22 Å²	22	18.7 Å²	18.7	12%	0.118	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	149.7	160.5	52.6	-13.4	0	0	0	111	R349 T350 A351	R349-D376 VanDerWaalsContact C-OD1 3.25Å; R349-D376 WeakPolarHBondContact CA-OD1 3.41Å; T350-D376 PolarHBondContact N-OD1 3.16Å; T350-D376 VanDerWaalsContact N-OD1 3.09Å; T350-D376 PolarHBondContact N-OD2 3.39Å; T350-D376 PolarHBondContact OG1-OD2 2.82Å; A351-D376 HydrophobicContact CB-CB 4.37Å; A351-D376 PolarHBondContact N-OD1 3.2Å; A351-D376 PolarHBondContact O-N 3.4Å; A351-D376 VanDerWaalsContact O-N 3.15Å
377	S	87.5	Confident	92.4	Very high	10 Å²	10	18.9 Å²	18.9	7%	0.07	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	40.7	175.6	-41.4	0	0	0	0	116.1	K517 K518	S377-K517 WeakPolarHBondContact OG-CA 3.43Å; S377-K517 VanDerWaalsContact OG-CB 3.28Å; S377-K517 WeakPolarHBondContact OG-CB 3.26Å; S377-K518 WeakPolarHBondContact CA-O 3.3Å; S377-K518 PolarHBondContact N-O 3.49Å; S377-K518 VanDerWaalsContact N-O 3.09Å
378	E	91	Very high	92.2	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	156.3	174.8	76.8	179.5	171.7	0	0	113.4	R349 F374 T375 I380 K518 T519 A520 D535 R536	R349-E378 IonicContact NH1-OE2 2.73Å; R349-E378 PolarHBondContact NH1-OE2 3.46Å; R349-E378 VanDerWaalsContact NH1-OE2 3.11Å; F374-E378 WeakPolarHBondContact CA-OE1 3.45Å; F374-E378 WeakPolarHBondContact CB-OE1 3.02Å; T375-E378 PolarHBondContact N-OE1 2.83Å; T375-E378 WeakPolarHBondContact O-CG 2.97Å; E378-I380 HydrophobicContact CG-CG1 4.43Å; E378-K518 PolarHBondContact N-O 2.94Å; E378-T519 HydrophobicContact CG-CG2 3.98Å; E378-T519 CarbonylContact O-C 3.59Å; E378-T519 VanDerWaalsContact O-CA 3.3Å; E378-T519 WeakPolarHBondContact O-CA 3.27Å; E378-T519 WeakPolarHBondContact O-CG2 3.35Å; E378-A520 PolarHBondContact O-N 2.62Å; E378-D535 WeakPolarHBondContact CA-OD2 3.21Å; E378-D535 HydrophobicContact CB-CB 4.42Å; E378-R536 IonicContact OE1-CZ 2.68Å; E378-R536 IonicContact OE1-NE 3.46Å; E378-R536 IonicContact OE1-NH2 3.93Å; E378-R536 PolarHBondContact OE1-NH2 3.49Å; E378-R536 IonicContact OE2-CZ 3.31Å; E378-R536 IonicContact OE2-NE 2.72Å; E378-R536 PolarHBondContact OE2-NE 3.18Å; E378-R536 IonicContact OE2-NH2 2.74Å; E378-R536 PolarHBondContact OE2-NH2 2.87Å
379	I	94.5	Very high	92.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.4	177.2	-58.2	176.9	0	0	0	109.2	V381 K510 I513 A520 I522 L533 D535 R536	I379-V381 HydrophobicContact CG2-CG2 4.24Å; I379-K510 HydrophobicContact CD1-CB 4.25Å; I379-K510 HydrophobicContact CD1-CG 4.17Å; I379-I513 HydrophobicContact CD1-CB 4.17Å; I379-I513 HydrophobicContact CD1-CG2 4.27Å; I379-I513 HydrophobicContact CG1-CB 4.24Å; I379-I513 HydrophobicContact CG1-CG2 3.8Å; I379-A520 WeakPolarHBondContact CA-O 3.5Å; I379-A520 HydrophobicContact CG1-CB 4.34Å; I379-A520 HydrophobicContact CG2-CB 4.49Å; I379-I522 HydrophobicContact CG2-CD1 3.56Å; I379-I522 HydrophobicContact CG2-CG1 4.09Å; I379-L533 VanDerWaalsContact CB-O 3.26Å; I379-L533 WeakPolarHBondContact CB-O 3.43Å; I379-L533 HydrophobicContact CD1-CD2 4.32Å; I379-L533 HydrophobicContact CG2-CB 4.16Å; I379-L533 WeakPolarHBondContact CG2-O 3.32Å; I379-D535 PolarHBondContact N-OD2 2.91Å; I379-D535 PolarHBondContact O-N 2.63Å; I379-R536 PolarHBondContact O-N 2.93Å
380	I	95.6	Very high	92	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.2	175.5	-61.3	169.5	0	0	0	108.2	F374 E378 A520 F521 I522 R536 V538 P553	F374-I380 HydrophobicContact CB-CD1 3.59Å; E378-I380 HydrophobicContact CG-CG1 4.43Å; I380-A520 PolarHBondContact N-O 3.23Å; I380-F521 HydrophobicContact CB-CD1 3.93Å; I380-F521 HydrophobicContact CB-CE1 4.04Å; I380-F521 HydrophobicContact CB-CG 4.46Å; I380-F521 HydrophobicContact CD1-CD1 4.35Å; I380-F521 HydrophobicContact CD1-CE1 3.64Å; I380-F521 HydrophobicContact CD1-CE2 4.27Å; I380-F521 HydrophobicContact CD1-CZ 3.59Å; I380-F521 HydrophobicContact CG1-CE1 4.44Å; I380-F521 HydrophobicContact CG2-CD1 3.88Å; I380-F521 HydrophobicContact CG2-CE1 3.92Å; I380-F521 CarbonylContact O-C 3.54Å; I380-F521 VanDerWaalsContact O-CA 3.31Å; I380-F521 WeakPolarHBondContact O-CA 3.38Å; I380-I522 PolarHBondContact O-N 3.17Å; I380-R536 WeakPolarHBondContact CA-O 3.16Å; I380-R536 HydrophobicContact CG1-CB 4.36Å; I380-V538 HydrophobicContact CG2-CB 4.43Å; I380-V538 HydrophobicContact CG2-CG2 3.69Å; I380-P553 HydrophobicContact CD1-CB 4.35Å; I380-P553 HydrophobicContact CD1-CG 4.36Å; I380-P553 HydrophobicContact CG2-CB 4.38Å
381	V	96.1	Very high	91.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	132.7	175.7	177.2	0	0	0	0	110.3	I379 L383 I522 E524 A530 L533 A534 R536 V537 V538	I379-V381 HydrophobicContact CG2-CG2 4.24Å; V381-L383 HydrophobicContact CG1-CD2 3.8Å; V381-L383 HydrophobicContact CG1-CG 4.17Å; V381-I522 CarbonylContact C-O 3.49Å; V381-I522 VanDerWaalsContact CA-O 3.3Å; V381-I522 WeakPolarHBondContact CA-O 3.35Å; V381-I522 HydrophobicContact CG2-CB 4.41Å; V381-E524 HydrophobicContact CG1-CB 4.22Å; V381-A530 HydrophobicContact CG1-CB 4.03Å; V381-L533 HydrophobicContact CG2-CB 4.04Å; V381-A534 HydrophobicContact CB-CB 3.81Å; V381-A534 HydrophobicContact CG2-CB 3.53Å; V381-R536 PolarHBondContact N-O 2.87Å; V381-V537 CarbonylContact O-C 3.59Å; V381-V537 VanDerWaalsContact O-CA 3.25Å; V381-V537 WeakPolarHBondContact O-CA 3.33Å; V381-V538 PolarHBondContact O-N 3.31Å
382	M	96.5	Very high	91.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.1	178.6	-69.2	-179.8	-67.5	0	0	109.9	F393 I394 F521 I522 V523 V538 F540	M382-F393 HydrophobicContact SD-CD1 3.39Å; M382-F393 WeakPolarHBondContact SD-CD1 3.26Å; M382-F393 HydrophobicContact SD-CE1 3.78Å; M382-F393 HydrophobicContact SD-CG 4.42Å; M382-I394 HydrophobicContact CE-CD1 3.5Å; M382-I394 VanDerWaalsContact CE-CD1 3.5Å; M382-I394 HydrophobicContact CE-CG1 3.33Å; M382-F521 HydrophobicContact CE-CB 3.93Å; M382-F521 HydrophobicContact SD-CD1 4.36Å; M382-I522 PolarHBondContact N-O 2.61Å; M382-V523 HydrophobicContact CB-CG2 4.13Å; M382-V523 HydrophobicContact CE-CG2 3.51Å; M382-V538 WeakPolarHBondContact CA-O 3.2Å; M382-V538 HydrophobicContact CG-CB 4.02Å; M382-V538 HydrophobicContact CG-CG1 4.32Å; M382-F540 HydrophobicContact CB-CE2 3.96Å; M382-F540 HydrophobicContact CG-CE2 4.08Å; M382-F540 HydrophobicContact SD-CE2 4.17Å; M382-F540 HydrophobicContact SD-CZ 4.44Å
383	L	94.1	Very high	92	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.9	-177.5	-60.2	179.5	0	0	0	110.8	V381 E524 A530 V537 V538 F540 M560 F563	V381-L383 HydrophobicContact CG1-CD2 3.8Å; V381-L383 HydrophobicContact CG1-CG 4.17Å; L383-E524 WeakPolarHBondContact CD2-O 3.43Å; L383-A530 HydrophobicContact CD2-CB 4.11Å; L383-V537 HydrophobicContact CB-CG1 4.43Å; L383-V537 HydrophobicContact CD1-CG1 3.69Å; L383-V537 HydrophobicContact CG-CG1 3.96Å; L383-V538 PolarHBondContact N-O 2.74Å; L383-F540 PolarHBondContact O-N 2.83Å; L383-M560 HydrophobicContact CD1-CE 4.49Å; L383-M560 HydrophobicContact CD1-SD 3.38Å; L383-M560 WeakPolarHBondContact CD1-SD 3.47Å; L383-F563 HydrophobicContact CB-CD1 4.14Å; L383-F563 HydrophobicContact CB-CD2 4.08Å; L383-F563 HydrophobicContact CB-CE1 4.11Å; L383-F563 HydrophobicContact CB-CE2 4.08Å; L383-F563 HydrophobicContact CB-CG 4.1Å; L383-F563 HydrophobicContact CB-CZ 4.08Å; L383-F563 HydrophobicContact CD1-CD1 3.79Å; L383-F563 HydrophobicContact CD1-CE1 4.16Å; L383-F563 HydrophobicContact CD1-CG 4.24Å
384	G	92.4	Very high	92.1	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.01	8%	0.08	C	C	.	.			trans	166.4	164	-179.5	0	0	0	0	0	112.6	K390 H525	G384-K390 PolarHBondContact O-NZ 3.44Å; G384-H525 PolarHBondContact O-CE1 3.08Å
385	E	91.2	Very high	92.1	Very high	40 Å²	40	17.8 Å²	17.8	19%	0.187	10%	0.101	C	C	.	.			trans	-61.8	161.4	173.8	-67	-175.8	-135	0	0	111.7	D253 K255 T388 K390 P544	D253-E385 WeakPolarHBondContact OD2-CA 3.2Å; K255-E385 HydrophobicContact CB-CG 4.21Å; K255-E385 HydrophobicContact CD-CG 4.06Å; K255-E385 WeakPolarHBondContact CD-OE1 3.27Å; K255-E385 WeakPolarHBondContact CD-OE2 3.5Å; K255-E385 WeakPolarHBondContact CE-OE1 3.46Å; K255-E385 IonicContact NZ-OE1 2.7Å; K255-E385 PolarHBondContact NZ-OE1 3.11Å; K255-E385 IonicContact NZ-OE2 3.81Å; K255-E385 PolarHBondContact NZ-OE2 2.84Å; E385-T388 HydrophobicContact CB-CG2 3.87Å; E385-T388 WeakPolarHBondContact O-CB 3.41Å; E385-T388 WeakPolarHBondContact O-CG2 3.36Å; E385-T388 PolarHBondContact O-N 3.26Å; E385-T388 PolarHBondContact O-OG1 2.89Å; E385-K390 WeakPolarHBondContact O-CE 3.31Å; E385-P544 HydrophobicContact CB-CG 3.98Å
386	N	89.8	Confident	92.2	Very high	44 Å²	44	17 Å²	17	24%	0.235	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	141.8	171.6	-75.3	-20.4	0	0	0	110.2	Y251 D253 T388 H525 P544	Y251-N386 PolarHBondContact O-ND2 3.16Å; D253-N386 HydrophobicContact CB-CB 4.39Å; D253-N386 PolarHBondContact OD2-N 3.11Å; N386-T388 VanDerWaalsContact C-N 3.33Å; N386-H525 PolarHBondContact OD1-NE2 2.94Å; N386-P544 WeakPolarHBondContact O-CB 3.16Å
387	G	88.4	Confident	92.4	Very high	47 Å²	47	17.3 Å²	17.3	49%	0.485	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	8.8	-177.8	0	0	0	0	0	115.4	F365 G389 G545	F365-G387 WeakPolarHBondContact CE2-O 3.47Å; G387-G389 VanDerWaalsContact C-N 3.33Å; G387-G545 PolarHBondContact O-N 2.74Å
388	T	91.7	Very high	92.5	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.018	10%	0.1	C	C	.	.	S	Bend	trans	-85.4	0.3	173.8	55.5	0	0	0	0	114	E385 N386 F540 P544 A548	E385-T388 HydrophobicContact CB-CG2 3.87Å; E385-T388 WeakPolarHBondContact O-CB 3.41Å; E385-T388 WeakPolarHBondContact O-CG2 3.36Å; E385-T388 PolarHBondContact O-N 3.26Å; E385-T388 PolarHBondContact O-OG1 2.89Å; N386-T388 VanDerWaalsContact C-N 3.33Å; T388-F540 WeakPolarHBondContact O-CD1 3.18Å; T388-P544 HydrophobicContact CG2-CG 4.47Å; T388-A548 WeakPolarHBondContact O-CB 3.22Å
389	G	92.4	Very high	92.2	Very high	8 Å²	8	20.3 Å²	20.3	8%	0.082	13%	0.129	C	C	.	.	S	Bend	trans	91.8	12.9	174.5	0	0	0	0	0	116.1	G387 T391 T392 F393	G387-G389 VanDerWaalsContact C-N 3.33Å; G389-T391 PolarHBondContact O-N 3.33Å; G389-T392 CarbonylContact O-C 3.37Å; G389-T392 WeakPolarHBondContact O-CA 3.39Å; G389-T392 VanDerWaalsContact O-CB 3.25Å; G389-T392 WeakPolarHBondContact O-CB 3.42Å; G389-T392 PolarHBondContact O-N 3.09Å; G389-F393 PolarHBondContact O-N 3.37Å
390	K	94.4	Very high	91.8	Very high	7 Å²	7	25.9 Å²	25.9	3%	0.03	16%	0.159	C	C	.	.	H	α-helix	trans	-52.7	-52.6	175	-63.1	170.5	-63.2	177.6	0	113.4	G384 E385 T392 F393 I394 V523 H525 F540	G384-K390 PolarHBondContact O-NZ 3.44Å; E385-K390 WeakPolarHBondContact O-CE 3.31Å; K390-T392 VanDerWaalsContact C-N 3.26Å; K390-T392 PolarHBondContact O-N 3.01Å; K390-F393 PolarHBondContact O-N 3.42Å; K390-I394 PolarHBondContact O-N 3.04Å; K390-V523 HydrophobicContact CB-CG1 4.32Å; K390-V523 HydrophobicContact CB-CG2 3.87Å; K390-V523 HydrophobicContact CD-CG1 3.96Å; K390-H525 PolarHBondContact NZ-CE1 3.11Å; K390-H525 PolarHBondContact NZ-NE2 2.97Å; K390-F540 HydrophobicContact CB-CE2 4.38Å; K390-F540 HydrophobicContact CB-CZ 4.26Å; K390-F540 HydrophobicContact CG-CD1 4.18Å; K390-F540 HydrophobicContact CG-CD2 3.69Å; K390-F540 HydrophobicContact CG-CE1 4.15Å; K390-F540 HydrophobicContact CG-CE2 3.7Å; K390-F540 HydrophobicContact CG-CG 3.93Å; K390-F540 HydrophobicContact CG-CZ 3.93Å
391	T	93.2	Very high	91.4	Very high	25 Å²	25	28 Å²	28	15%	0.153	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-32.7	175.3	-54.8	0	0	0	0	111.8	G389 I394 R395 D491	G389-T391 PolarHBondContact O-N 3.33Å; T391-I394 PolarHBondContact O-N 3.07Å; T391-R395 VanDerWaalsContact O-CG 3.27Å; T391-R395 WeakPolarHBondContact O-CG 3.42Å; T391-R395 PolarHBondContact O-N 2.75Å; T391-D491 WeakPolarHBondContact CB-OD2 3.24Å; T391-D491 VanDerWaalsContact CG2-OD2 3.28Å; T391-D491 WeakPolarHBondContact CG2-OD2 3.24Å; T391-D491 PolarHBondContact OG1-OD2 3.46Å
392	T	93	Very high	91	Very high	22 Å²	22	36.4 Å²	36.4	14%	0.135	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-44.6	174.3	-53.9	0	0	0	0	110.7	K360 L362 L367 G389 K390 R395 M396 L401	K360-T392 HydrophobicContact CG-CG2 4.23Å; L362-T392 HydrophobicContact CD1-CG2 3.87Å; L367-T392 HydrophobicContact CD2-CG2 3.82Å; G389-T392 CarbonylContact O-C 3.37Å; G389-T392 WeakPolarHBondContact O-CA 3.39Å; G389-T392 VanDerWaalsContact O-CB 3.25Å; G389-T392 WeakPolarHBondContact O-CB 3.42Å; G389-T392 PolarHBondContact O-N 3.09Å; K390-T392 VanDerWaalsContact C-N 3.26Å; K390-T392 PolarHBondContact O-N 3.01Å; T392-R395 PolarHBondContact O-N 3.43Å; T392-M396 WeakPolarHBondContact O-CG 3.42Å; T392-M396 PolarHBondContact O-N 2.88Å; T392-L401 HydrophobicContact CG2-CD2 3.58Å
393	F	94.1	Very high	90.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-45.4	175	-178.7	-148.6	0	0	0	111.7	Y355 M358 V369 M382 G389 K390 R395 M396 L397 V538 F540	Y355-F393 HydrophobicContact CD2-CE2 4.48Å; Y355-F393 HydrophobicContact CD2-CZ 4.43Å; Y355-F393 HydrophobicContact CE1-CZ 4.42Å; Y355-F393 HydrophobicContact CE2-CE2 4.28Å; Y355-F393 AromaticContact CE2-CZ 3.87Å; Y355-F393 HydrophobicContact CE2-CZ 3.87Å; Y355-F393 AromaticContact CZ-CZ 3.86Å; M358-F393 HydrophobicContact CE-CD2 4.05Å; M358-F393 HydrophobicContact CE-CE2 3.58Å; V369-F393 HydrophobicContact CG1-CD2 4Å; V369-F393 HydrophobicContact CG1-CE1 4.41Å; V369-F393 HydrophobicContact CG1-CE2 3.65Å; V369-F393 HydrophobicContact CG1-CZ 3.87Å; V369-F393 HydrophobicContact CG2-CD2 4.01Å; V369-F393 HydrophobicContact CG2-CE2 4.5Å; V369-F393 HydrophobicContact CG2-CG 4.26Å; M382-F393 HydrophobicContact SD-CD1 3.39Å; M382-F393 WeakPolarHBondContact SD-CD1 3.26Å; M382-F393 HydrophobicContact SD-CE1 3.78Å; M382-F393 HydrophobicContact SD-CG 4.42Å; G389-F393 PolarHBondContact O-N 3.37Å; K390-F393 PolarHBondContact O-N 3.42Å; F393-R395 VanDerWaalsContact C-N 3.31Å; F393-R395 PolarHBondContact O-N 3.11Å; F393-M396 HydrophobicContact CB-CE 4.47Å; F393-M396 HydrophobicContact CD2-CE 4.3Å; F393-M396 PolarHBondContact O-N 3.49Å; F393-M396 VanDerWaalsContact O-N 3.13Å; F393-L397 HydrophobicContact CD2-CD1 4.16Å; F393-L397 HydrophobicContact CD2-CG 3.96Å; F393-L397 HydrophobicContact CE1-CD1 4.2Å; F393-L397 HydrophobicContact CE2-CD1 3.7Å; F393-L397 HydrophobicContact CE2-CD2 3.79Å; F393-L397 HydrophobicContact CE2-CG 3.59Å; F393-L397 HydrophobicContact CZ-CD1 3.74Å; F393-L397 HydrophobicContact CZ-CD2 4.29Å; F393-L397 HydrophobicContact CZ-CG 4.14Å; F393-L397 PolarHBondContact O-N 3.4Å; F393-V538 HydrophobicContact CE1-CG1 4.49Å; F393-F540 HydrophobicContact CB-CE1 4.41Å; F393-F540 HydrophobicContact CB-CZ 3.92Å; F393-F540 HydrophobicContact CD1-CE2 4.34Å; F393-F540 AromaticContact CD1-CZ 3.77Å; F393-F540 HydrophobicContact CD1-CZ 3.77Å; F393-F540 HydrophobicContact CG-CZ 4.27Å
394	I	92.8	Very high	90.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56	-45.5	172.7	-76.3	175.9	0	0	0	111.5	M382 K390 T391 M396 L397 A398 Y416 L489 D491 V523	M382-I394 HydrophobicContact CE-CD1 3.5Å; M382-I394 VanDerWaalsContact CE-CD1 3.5Å; M382-I394 HydrophobicContact CE-CG1 3.33Å; K390-I394 PolarHBondContact O-N 3.04Å; T391-I394 PolarHBondContact O-N 3.07Å; I394-M396 VanDerWaalsContact C-N 3.28Å; I394-M396 PolarHBondContact O-N 3.44Å; I394-L397 PolarHBondContact O-N 2.86Å; I394-A398 VanDerWaalsContact O-CB 3.3Å; I394-A398 WeakPolarHBondContact O-CB 3.35Å; I394-A398 PolarHBondContact O-N 3.26Å; I394-Y416 HydrophobicContact CG2-CD2 3.67Å; I394-Y416 HydrophobicContact CG2-CE2 3.35Å; I394-L489 HydrophobicContact CG2-CB 3.9Å; I394-L489 HydrophobicContact CG2-CD1 4.14Å; I394-L489 HydrophobicContact CG2-CG 4.5Å; I394-D491 HydrophobicContact CD1-CB 3.92Å; I394-V523 HydrophobicContact CD1-CB 4.46Å; I394-V523 HydrophobicContact CD1-CG2 3.45Å; I394-V523 VanDerWaalsContact CD1-CG2 3.45Å; I394-V523 HydrophobicContact CG1-CG2 4.41Å
395	R	91.4	Very high	89.7	Confident	122 Å²	122	42.6 Å²	42.6	46%	0.46	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-31.8	-179.6	-72.5	174.5	-172.4	-171.8	5.1	112.6	T391 T392 F393 G399 N400 L401	T391-R395 VanDerWaalsContact O-CG 3.27Å; T391-R395 WeakPolarHBondContact O-CG 3.42Å; T391-R395 PolarHBondContact O-N 2.75Å; T392-R395 PolarHBondContact O-N 3.43Å; F393-R395 VanDerWaalsContact C-N 3.31Å; F393-R395 PolarHBondContact O-N 3.11Å; R395-G399 PolarHBondContact O-N 3.46Å; R395-N400 HydrophobicContact CB-CB 4.45Å; R395-N400 PolarHBondContact O-N 2.89Å; R395-L401 HydrophobicContact CB-CB 3.93Å; R395-L401 PolarHBondContact O-N 2.96Å; R395-L401 VanDerWaalsContact O-N 3.08Å
396	M	91.2	Very high	88.7	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-67.8	-47.2	172.4	-68.7	-171.5	-62.8	0	0	111.4	M358 K360 L367 V369 T392 F393 I394 A398 G399 L401 P403	M358-M396 HydrophobicContact CB-CE 4.42Å; M358-M396 HydrophobicContact CB-SD 4.47Å; M358-M396 HydrophobicContact SD-CB 4.2Å; M358-M396 HydrophobicContact SD-SD 4.41Å; K360-M396 HydrophobicContact CB-SD 3.97Å; K360-M396 HydrophobicContact CG-SD 4.46Å; L367-M396 HydrophobicContact CD2-CE 3.76Å; V369-M396 HydrophobicContact CG2-CE 3.83Å; T392-M396 WeakPolarHBondContact O-CG 3.42Å; T392-M396 PolarHBondContact O-N 2.88Å; F393-M396 HydrophobicContact CB-CE 4.47Å; F393-M396 HydrophobicContact CD2-CE 4.3Å; F393-M396 PolarHBondContact O-N 3.49Å; F393-M396 VanDerWaalsContact O-N 3.13Å; I394-M396 VanDerWaalsContact C-N 3.28Å; I394-M396 PolarHBondContact O-N 3.44Å; M396-A398 VanDerWaalsContact C-N 3.25Å; M396-A398 PolarHBondContact O-N 3.09Å; M396-G399 PolarHBondContact O-N 2.77Å; M396-L401 WeakPolarHBondContact CA-O 3.24Å; M396-L401 HydrophobicContact CG-CB 4.23Å; M396-L401 HydrophobicContact CG-CD2 4.14Å; M396-L401 HydrophobicContact CG-CG 4.35Å; M396-P403 HydrophobicContact SD-CB 4.19Å
397	L	89.3	Confident	87.7	Confident	28 Å²	28	50.2 Å²	50.2	15%	0.147	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-34.9	174	-69.3	177.2	0	0	0	112.5	F393 I394 G399 L489 F521	F393-L397 HydrophobicContact CD2-CD1 4.16Å; F393-L397 HydrophobicContact CD2-CG 3.96Å; F393-L397 HydrophobicContact CE1-CD1 4.2Å; F393-L397 HydrophobicContact CE2-CD1 3.7Å; F393-L397 HydrophobicContact CE2-CD2 3.79Å; F393-L397 HydrophobicContact CE2-CG 3.59Å; F393-L397 HydrophobicContact CZ-CD1 3.74Å; F393-L397 HydrophobicContact CZ-CD2 4.29Å; F393-L397 HydrophobicContact CZ-CG 4.14Å; F393-L397 PolarHBondContact O-N 3.4Å; I394-L397 PolarHBondContact O-N 2.86Å; L397-G399 PolarHBondContact O-N 2.76Å; L397-L489 HydrophobicContact CB-CD1 4.21Å; L397-L489 HydrophobicContact CB-CD2 4.23Å; L397-L489 HydrophobicContact CD1-CD2 4.27Å; L397-F521 HydrophobicContact CD1-CD1 3.9Å; L397-F521 HydrophobicContact CD1-CD2 4.09Å; L397-F521 HydrophobicContact CD1-CE1 3.98Å; L397-F521 HydrophobicContact CD1-CE2 4.17Å; L397-F521 HydrophobicContact CD1-CG 3.95Å; L397-F521 HydrophobicContact CD1-CZ 4.11Å
398	A	88.4	Confident	86.6	Confident	14 Å²	14	57.1 Å²	57.1	12%	0.116	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.5	177.6	0	0	0	0	0	113.8	I394 M396 N400 V414 L489	I394-A398 VanDerWaalsContact O-CB 3.3Å; I394-A398 WeakPolarHBondContact O-CB 3.35Å; I394-A398 PolarHBondContact O-N 3.26Å; M396-A398 VanDerWaalsContact C-N 3.25Å; M396-A398 PolarHBondContact O-N 3.09Å; A398-N400 HydrophobicContact CB-CB 4.47Å; A398-N400 PolarHBondContact O-N 2.77Å; A398-V414 HydrophobicContact CB-CG2 4.3Å; A398-L489 HydrophobicContact CB-CD1 3.59Å
399	G	85.6	Confident	85.4	Confident	60 Å²	60	58.6 Å²	58.6	62%	0.619	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	4.2	-171.8	0	0	0	0	0	114.8	R395 M396 L397 L401	R395-G399 PolarHBondContact O-N 3.46Å; M396-G399 PolarHBondContact O-N 2.77Å; L397-G399 PolarHBondContact O-N 2.76Å; G399-L401 VanDerWaalsContact C-N 3.3Å
400	N	86.1	Confident	84.3	Confident	117 Å²	117	60.9 Å²	60.9	63%	0.626	33%	0.333	S	S	*	.	S	Bend	trans	-77.4	-17.3	178.3	-70.5	-19.8	0	0	0	112.8	R395 A398	R395-N400 HydrophobicContact CB-CB 4.45Å; R395-N400 PolarHBondContact O-N 2.89Å; A398-N400 HydrophobicContact CB-CB 4.47Å; A398-N400 PolarHBondContact O-N 2.77Å
401	L	87.7	Confident	83.2	Confident	46 Å²	46	68 Å²	68	24%	0.241	38%	0.376	C	S	.	.	S	Bend	trans	-136.5	127.3	177	-172	70	0	0	0	109.1	K360 T392 R395 M396 G399	K360-L401 HydrophobicContact CD-CD2 4.19Å; K360-L401 HydrophobicContact CD-CG 4.37Å; K360-L401 HydrophobicContact CG-CD2 4.21Å; T392-L401 HydrophobicContact CG2-CD2 3.58Å; R395-L401 HydrophobicContact CB-CB 3.93Å; R395-L401 PolarHBondContact O-N 2.96Å; R395-L401 VanDerWaalsContact O-N 3.08Å; M396-L401 WeakPolarHBondContact CA-O 3.24Å; M396-L401 HydrophobicContact CG-CB 4.23Å; M396-L401 HydrophobicContact CG-CD2 4.14Å; M396-L401 HydrophobicContact CG-CG 4.35Å; G399-L401 VanDerWaalsContact C-N 3.3Å
402	K	88.1	Confident	82.6	Confident	176 Å²	176	68.4 Å²	68.4	77%	0.765	38%	0.377	S	S	*	.			trans	-81.1	137.2	175.8	-66.4	-178.3	179.3	-179	0	110.6	K360	K360-K402 WeakPolarHBondContact CD-O 3.29Å; K360-K402 PolarHBondContact NZ-O 2.97Å
403	P	88.5	Confident	82.4	Confident	18 Å²	18	72.5 Å²	72.5	12%	0.117	40%	0.395	C	S	.	.			trans	-62.4	156.3	166.3	29.7	-34.4	0	0	0	110.1	M358 M396 G405 Q407	M358-P403 HydrophobicContact CB-CB 4.06Å; M358-P403 HydrophobicContact CG-CB 3.98Å; M358-P403 HydrophobicContact CG-CG 4.32Å; M358-P403 HydrophobicContact SD-CB 4.36Å; M358-P403 HydrophobicContact SD-CG 4.43Å; M396-P403 HydrophobicContact SD-CB 4.19Å; P403-G405 PolarHBondContact O-N 2.72Å; P403-Q407 HydrophobicContact CG-CB 4.49Å
404	D	87.1	Confident	82.3	Confident	62 Å²	62	74.5 Å²	74.5	33%	0.332	41%	0.407	S	S	.	.	S	Bend	trans	-82	99.8	174.2	-63.1	-21.3	0	0	0	108.2	Y359 K360 N361	Y359-D404 HydrophobicContact CD1-CB 4.03Å; Y359-D404 PolarHBondContact O-N 3.02Å; K360-D404 WeakPolarHBondContact CA-OD2 3.29Å; K360-D404 IonicContact NZ-OD1 3.46Å; K360-D404 PolarHBondContact NZ-OD1 3.21Å; N361-D404 PolarHBondContact N-OD2 3.16Å
405	G	78.9	Confident	82.4	Confident	53 Å²	53	74.8 Å²	74.8	55%	0.546	41%	0.409	S	S	.	.	S	Bend	trans	142.1	177.3	-177.2	0	0	0	0	0	112.6	P403 Q407	P403-G405 PolarHBondContact O-N 2.72Å; G405-Q407 PolarHBondContact O-N 3.27Å
406	D	70.8	Confident	82.6	Confident	171 Å²	171	72 Å²	72	91%	0.914	40%	0.399	S	S	*	.	S	Bend	trans	-84.7	18.6	-178.9	-75	-29.1	0	0	0	114.2	K408	D406-K408 PolarHBondContact O-N 3.16Å
407	Q	68.2	Low	82.8	Confident	73 Å²	73	71.9 Å²	71.9	34%	0.341	40%	0.398	S	S	.	.			trans	-78.9	119.9	-175.2	-66.7	154.8	-3.8	0	0	110.7	P356 T357 P403 G405	P356-Q407 HydrophobicContact CB-CG 4.48Å; P356-Q407 HydrophobicContact CG-CB 3.96Å; P356-Q407 HydrophobicContact CG-CG 4.43Å; T357-Q407 PolarHBondContact O-NE2 2.95Å; T357-Q407 PolarHBondContact O-OE1 3.03Å; P403-Q407 HydrophobicContact CG-CB 4.49Å; G405-Q407 PolarHBondContact O-N 3.27Å
408	K	65.4	Low	83	Confident	192 Å²	192	73 Å²	73	84%	0.835	41%	0.407	S	S	*	.			trans	-94.5	115.9	175.1	-66.3	-180	-176.6	174	0	109.4	D406	D406-K408 PolarHBondContact O-N 3.16Å
409	C	66.9	Low	82.9	Confident	34 Å²	34	75.4 Å²	75.4	23%	0.23	42%	0.416	C	S	.	.			trans	-64.7	149.4	162.3	-69.1	0	0	0	0	109.5	V411	C409-V411 PolarHBondContact O-N 3.4Å
410	P	68.8	Low	82.9	Confident	56 Å²	56	81.2 Å²	81.2	36%	0.364	42%	0.424	S	S	.	.			trans	-58.7	139	173.2	25	-33.3	0	0	0	110.3	L412	P410-L412 HydrophobicContact CB-CD1 4.35Å; P410-L412 HydrophobicContact CB-CG 4.15Å; P410-L412 HydrophobicContact CG-CD1 3.94Å; P410-L412 HydrophobicContact CG-CG 4.25Å; P410-L412 PolarHBondContact O-N 3.3Å
411	V	72.1	Confident	82.8	Confident	155 Å²	155	77.9 Å²	77.9	94%	0.939	41%	0.406	S	S	*	.			trans	-75.1	93.3	175.7	-175.5	0	0	0	0	107.8	C409	C409-V411 PolarHBondContact O-N 3.4Å
412	L	80.5	Confident	82.5	Confident	35 Å²	35	78.8 Å²	78.8	18%	0.183	42%	0.416	C	S	.	.			trans	-109.8	147	177.3	-63.7	171.8	0	0	0	109.8	Y353 F374 P410 V414 V487	Y353-L412 HydrophobicContact CD1-CD1 4.16Å; Y353-L412 HydrophobicContact CD1-CD2 3.78Å; Y353-L412 HydrophobicContact CE1-CD2 3.48Å; Y353-L412 VanDerWaalsContact CE1-CD2 3.48Å; Y353-L412 HydrophobicContact CG-CD1 4.35Å; F374-L412 HydrophobicContact CE2-CD1 4.16Å; F374-L412 HydrophobicContact CZ-CD1 3.63Å; P410-L412 HydrophobicContact CB-CD1 4.35Å; P410-L412 HydrophobicContact CB-CG 4.15Å; P410-L412 HydrophobicContact CG-CD1 3.94Å; P410-L412 HydrophobicContact CG-CG 4.25Å; P410-L412 PolarHBondContact O-N 3.3Å; L412-V414 PolarHBondContact O-N 2.95Å; L412-V487 HydrophobicContact CB-CG2 4.39Å; L412-V487 HydrophobicContact CD1-CG2 3.8Å
413	H	88.8	Confident	82.2	Confident	108 Å²	108	72.7 Å²	72.7	50%	0.5	39%	0.394	S	S	.	.			trans	-75.8	119.2	171.4	-165.7	-78.6	0	0	0	109	P484 A485 D486 V487	H413-P484 PolarHBondContact CE1-O 3.09Å; H413-P484 PolarHBondContact ND1-O 3.38Å; H413-A485 WeakPolarHBondContact O-CB 3.13Å; H413-D486 PolarHBondContact N-OD2 2.88Å; H413-D486 PolarHBondContact O-N 2.98Å; H413-V487 PolarHBondContact O-N 3.09Å
414	V	92.6	Very high	81.8	Confident	41 Å²	41	80.5 Å²	80.5	25%	0.248	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.8	-174.9	-56.5	0	0	0	0	111.3	A398 L412 V487 L489	A398-V414 HydrophobicContact CB-CG2 4.3Å; L412-V414 PolarHBondContact O-N 2.95Å; V414-V487 VanDerWaalsContact CA-O 3.31Å; V414-V487 WeakPolarHBondContact CA-O 3.49Å; V414-V487 HydrophobicContact CG1-CB 4.39Å; V414-L489 HydrophobicContact CB-CD1 4.18Å; V414-L489 HydrophobicContact CG1-CD1 4.37Å
415	S	95.1	Very high	81.6	Confident	7 Å²	7	78.8 Å²	78.8	5%	0.049	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128	165.7	177.4	0	0	0	0	108.7	C480 V487 L489	S415-C480 WeakPolarHBondContact OG-CA 3.41Å; S415-C480 PolarHBondContact OG-O 2.98Å; S415-C480 PolarHBondContact OG-SG 3.46Å; S415-V487 PolarHBondContact N-O 3.31Å; S415-L489 PolarHBondContact O-N 3.31Å
416	Y	94.6	Very high	82	Confident	62 Å²	62	83.9 Å²	83.9	24%	0.243	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.3	-172.6	174.5	-132.6	0	0	0	112.2	I394 P418 L489 D491	I394-Y416 HydrophobicContact CG2-CD2 3.67Å; I394-Y416 HydrophobicContact CG2-CE2 3.35Å; Y416-P418 HydrophobicContact CE1-CB 3.79Å; Y416-P418 HydrophobicContact CE2-CB 4.47Å; Y416-P418 VanDerWaalsContact CZ-CA 3.47Å; Y416-P418 WeakPolarHBondContact O-CD 3.48Å; Y416-P418 WeakPolarHBondContact OH-CA 3.45Å; Y416-L489 CarbonylContact C-O 3.58Å; Y416-L489 WeakPolarHBondContact CA-O 3.44Å; Y416-L489 HydrophobicContact CD2-CB 3.89Å; Y416-L489 WeakPolarHBondContact CD2-O 3.41Å; Y416-D491 HydrophobicContact CE2-CB 4.26Å
417	K	95.7	Very high	82.9	Confident	2 Å²	2	80.1 Å²	80.1	1%	0.009	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112.8	163.5	-176.2	-89.9	172.6	-162	0	108.4	Q473 A476 C480 L489 I490 D491 E492	K417-Q473 VanDerWaalsContact CE-NE2 3.28Å; K417-A476 HydrophobicContact CG-CB 4.12Å; K417-C480 HydrophobicContact CB-CB 3.81Å; K417-L489 PolarHBondContact N-O 2.89Å; K417-I490 HydrophobicContact CB-CG2 4.12Å; K417-I490 HydrophobicContact CD-CG2 4.12Å; K417-I490 HydrophobicContact CG-CG2 4.39Å; K417-D491 WeakPolarHBondContact CD-O 3.42Å; K417-D491 PolarHBondContact NZ-O 3.07Å; K417-D491 WeakPolarHBondContact O-CB 3.47Å; K417-D491 PolarHBondContact O-N 3.45Å; K417-E492 PolarHBondContact NZ-O 2.79Å
418	P	92.7	Very high	84.1	Confident	52 Å²	52	78.3 Å²	78.3	34%	0.338	40%	0.398	S	S	.	.			trans	-75.9	155.9	179	31.3	-35.3	0	0	0	113	Y416	Y416-P418 HydrophobicContact CE1-CB 3.79Å; Y416-P418 HydrophobicContact CE2-CB 4.47Å; Y416-P418 VanDerWaalsContact CZ-CA 3.47Å; Y416-P418 WeakPolarHBondContact O-CD 3.48Å; Y416-P418 WeakPolarHBondContact OH-CA 3.45Å
419	Q	86.6	Confident	85.4	Confident	64 Å²	64	69.1 Å²	69.1	30%	0.299	36%	0.359	S	S	.	.	S	Bend	trans	-58.1	-56.7	175.8	-168.4	-172.2	18.9	0	0	111.5	I421 D491 E492	Q419-I421 PolarHBondContact O-N 3.48Å; Q419-D491 HydrophobicContact CB-CB 4.21Å; Q419-E492 HydrophobicContact CG-CB 4.47Å; Q419-E492 HydrophobicContact CG-CG 4.43Å; Q419-E492 WeakPolarHBondContact CG-OE2 3.48Å; Q419-E492 PolarHBondContact NE2-OE1 2.85Å; Q419-E492 PolarHBondContact NE2-OE2 3.2Å
420	K	85.1	Confident	86.7	Confident	182 Å²	182	70.8 Å²	70.8	79%	0.791	36%	0.363	S	S	*	.	S	Bend	trans	-82.9	114.5	178.8	-66.3	-173.9	179.5	-176.4	0	110.6
421	I	83.7	Confident	87.9	Confident	46 Å²	46	72.2 Å²	72.2	24%	0.236	37%	0.367	C	S	.	.			trans	-102.6	128.4	170.9	-50.5	170.5	0	0	0	108	Q419 L472 Q473 A476	Q419-I421 PolarHBondContact O-N 3.48Å; I421-L472 HydrophobicContact CG2-CB 4.11Å; I421-Q473 HydrophobicContact CD1-CB 4.26Å; I421-Q473 HydrophobicContact CD1-CG 4.5Å; I421-A476 HydrophobicContact CD1-CB 3.43Å; I421-A476 VanDerWaalsContact CD1-CB 3.43Å; I421-A476 HydrophobicContact CG1-CB 4.11Å; I421-A476 HydrophobicContact CG2-CB 4.47Å
422	S	83.1	Confident	88.9	Confident	66 Å²	66	65.8 Å²	65.8	46%	0.462	33%	0.328	S	S	.	.			trans	-123.3	137	172	42	0	0	0	0	109.1	K424	S422-K424 PolarHBondContact O-N 3.49Å; S422-K424 VanDerWaalsContact O-N 3.11Å; S422-K424 WeakPolarHBondContact OG-CE 3.45Å
423	P	80.5	Confident	89.6	Confident	47 Å²	47	64.1 Å²	64.1	31%	0.305	32%	0.319	S	S	.	.			trans	-70.8	108.2	172.1	28.6	-30.5	0	0	0	108.6	V464 M465 L472	P423-V464 HydrophobicContact CB-CG1 4.41Å; P423-V464 WeakPolarHBondContact CB-O 3.38Å; P423-M465 HydrophobicContact CB-SD 4.12Å; P423-L472 HydrophobicContact CB-CD1 4.1Å; P423-L472 HydrophobicContact CB-CD2 4.05Å; P423-L472 HydrophobicContact CG-CD1 4.05Å
424	K	79.9	Confident	89.9	Confident	183 Å²	183	62 Å²	62	80%	0.796	31%	0.311	S	S	*	.			trans	-112.5	-6	-179.7	-67.3	-175.1	179	-178.1	0	113.8	S422	S422-K424 PolarHBondContact O-N 3.49Å; S422-K424 VanDerWaalsContact O-N 3.11Å; S422-K424 WeakPolarHBondContact OG-CE 3.45Å
425	S	82.9	Confident	89.9	Confident	26 Å²	26	65 Å²	65	18%	0.182	32%	0.322	C	S	.	.			trans	-112.5	127.5	-171.7	-167.4	0	0	0	0	111.1	K427 V464 M465	S425-K427 PolarHBondContact O-N 3.46Å; S425-K427 WeakPolarHBondContact OG-CB 3.19Å; S425-K427 PolarHBondContact OG-N 3.31Å; S425-V464 WeakPolarHBondContact O-CB 3.41Å; S425-M465 WeakPolarHBondContact O-CG 3.49Å; S425-M465 PolarHBondContact O-N 3.07Å
426	E	88.1	Confident	89.8	Confident	160 Å²	160	70.2 Å²	70.2	75%	0.748	34%	0.344	S	S	*	.			trans	-77.2	-8.1	170.9	-61.6	-175.1	166.9	0	0	112.8	Q463 M465	E426-Q463 PolarHBondContact O-NE2 3.45Å; E426-M465 HydrophobicContact CG-CG 4.43Å
427	K	90.4	Very high	89.8	Confident	91 Å²	91	67.6 Å²	67.6	40%	0.396	33%	0.334	S	S	.	.	S	Bend	trans	-67.3	157	179	-60.3	-176.5	-175.6	-177.3	0	110.7	S425 N431 E435 V464	S425-K427 PolarHBondContact O-N 3.46Å; S425-K427 WeakPolarHBondContact OG-CB 3.19Å; S425-K427 PolarHBondContact OG-N 3.31Å; K427-N431 HydrophobicContact CB-CB 4.44Å; K427-E435 WeakPolarHBondContact CD-OE2 3.34Å; K427-E435 IonicContact NZ-OE1 3.17Å; K427-E435 PolarHBondContact NZ-OE1 2.93Å; K427-E435 IonicContact NZ-OE2 2.71Å; K427-E435 PolarHBondContact NZ-OE2 3.46Å; K427-V464 PolarHBondContact O-N 3.32Å; K427-V464 VanDerWaalsContact O-N 3.09Å
428	T	92.8	Very high	89.6	Confident	35 Å²	35	75.7 Å²	75.7	22%	0.215	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-68.8	154.7	166.8	60.9	0	0	0	0	110.1	Q430 N431 L432 Q462	T428-Q430 VanDerWaalsContact C-N 3.26Å; T428-Q430 PolarHBondContact O-N 2.99Å; T428-N431 PolarHBondContact O-N 3.45Å; T428-N431 WeakPolarHBondContact OG1-CB 3.43Å; T428-N431 VanDerWaalsContact OG1-CG 3.25Å; T428-N431 PolarHBondContact OG1-N 2.82Å; T428-N431 PolarHBondContact OG1-ND2 3.34Å; T428-L432 PolarHBondContact O-N 2.85Å; T428-Q462 CarbonylContact C-O 3.56Å; T428-Q462 VanDerWaalsContact CA-O 3.26Å; T428-Q462 WeakPolarHBondContact CA-O 3.26Å
429	V	93.2	Very high	89.6	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-55.6	-44.4	176.6	172.5	0	0	0	0	110.9	N431 L432 L433 M456 L459 Y460 Q462 V464 L467 L475	V429-N431 PolarHBondContact O-N 3.3Å; V429-L432 PolarHBondContact O-N 3.23Å; V429-L433 HydrophobicContact CG1-CD1 3.83Å; V429-L433 HydrophobicContact CG1-CG 4.29Å; V429-L433 VanDerWaalsContact O-CG 3.31Å; V429-L433 WeakPolarHBondContact O-CG 3.2Å; V429-L433 PolarHBondContact O-N 2.9Å; V429-M456 HydrophobicContact CG1-CE 3.85Å; V429-L459 VanDerWaalsContact CB-O 3.29Å; V429-L459 WeakPolarHBondContact CB-O 3.29Å; V429-L459 HydrophobicContact CG1-CB 4.49Å; V429-L459 HydrophobicContact CG2-CB 4.32Å; V429-L459 WeakPolarHBondContact CG2-O 3.05Å; V429-Y460 HydrophobicContact CG1-CD1 4.41Å; V429-Q462 PolarHBondContact N-O 3.34Å; V429-V464 HydrophobicContact CG2-CG2 4.1Å; V429-L467 HydrophobicContact CG2-CD1 3.67Å; V429-L467 HydrophobicContact CG2-CD2 4.24Å; V429-L467 HydrophobicContact CG2-CG 4.37Å; V429-L475 HydrophobicContact CG1-CD1 3.86Å; V429-L475 HydrophobicContact CG2-CD2 4.24Å
430	Q	93.6	Very high	89.9	Confident	68 Å²	68	77.9 Å²	77.9	32%	0.318	38%	0.378	S	S	.	.	H	α-helix	trans	-59.4	-46.2	179.5	-169.8	-179.8	19.8	0	0	112.3	T428 L432 L433 L434 F441 Y460	T428-Q430 VanDerWaalsContact C-N 3.26Å; T428-Q430 PolarHBondContact O-N 2.99Å; Q430-L432 VanDerWaalsContact C-N 3.32Å; Q430-L432 PolarHBondContact O-N 3.35Å; Q430-L433 PolarHBondContact O-N 3.03Å; Q430-L434 HydrophobicContact CG-CD1 4.19Å; Q430-L434 WeakPolarHBondContact O-CG 3.5Å; Q430-L434 PolarHBondContact O-N 3.45Å; Q430-F441 HydrophobicContact CG-CZ 4.32Å; Q430-Y460 HydrophobicContact CB-CG 4.27Å; Q430-Y460 WeakPolarHBondContact CB-O 3.49Å; Q430-Y460 HydrophobicContact CG-CG 4.5Å; Q430-Y460 PolarHBondContact N-O 3.09Å; Q430-Y460 VanDerWaalsContact N-O 3.13Å
431	N	94.1	Very high	90.3	Very high	86 Å²	86	70.6 Å²	70.6	46%	0.46	35%	0.347	S	S	.	.	H	α-helix	trans	-65.5	-37.8	179.9	-73.6	-13.3	0	0	0	111.7	K427 T428 V429 E435	K427-N431 HydrophobicContact CB-CB 4.44Å; T428-N431 PolarHBondContact O-N 3.45Å; T428-N431 WeakPolarHBondContact OG1-CB 3.43Å; T428-N431 VanDerWaalsContact OG1-CG 3.25Å; T428-N431 PolarHBondContact OG1-N 2.82Å; T428-N431 PolarHBondContact OG1-ND2 3.34Å; V429-N431 PolarHBondContact O-N 3.3Å; N431-E435 VanDerWaalsContact O-CB 3.29Å; N431-E435 WeakPolarHBondContact O-CB 3.28Å; N431-E435 PolarHBondContact O-N 3.03Å
432	L	93.8	Very high	90.7	Very high	21 Å²	21	72.9 Å²	72.9	11%	0.11	36%	0.363	C	S	.	.	H	α-helix	trans	-65.2	-41.6	175.8	-176	67.1	0	0	0	111.9	T428 V429 Q430 E435 K436 V464 L475 L479	T428-L432 PolarHBondContact O-N 2.85Å; V429-L432 PolarHBondContact O-N 3.23Å; Q430-L432 VanDerWaalsContact C-N 3.32Å; Q430-L432 PolarHBondContact O-N 3.35Å; L432-E435 PolarHBondContact O-N 3.47Å; L432-K436 HydrophobicContact CD1-CG 4.06Å; L432-K436 WeakPolarHBondContact O-CB 3.23Å; L432-K436 PolarHBondContact O-N 3.3Å; L432-V464 HydrophobicContact CD2-CG2 3.94Å; L432-L475 HydrophobicContact CD2-CD2 4.19Å; L432-L479 HydrophobicContact CD2-CD1 4Å
433	L	94.5	Very high	91.2	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65	-44.8	177.1	-67.7	169.8	0	0	0	111.4	V429 Q430 E435 K436 I437 F441 Y460 L475 T478 L479	V429-L433 HydrophobicContact CG1-CD1 3.83Å; V429-L433 HydrophobicContact CG1-CG 4.29Å; V429-L433 VanDerWaalsContact O-CG 3.31Å; V429-L433 WeakPolarHBondContact O-CG 3.2Å; V429-L433 PolarHBondContact O-N 2.9Å; Q430-L433 PolarHBondContact O-N 3.03Å; L433-E435 VanDerWaalsContact C-N 3.29Å; L433-E435 PolarHBondContact O-N 2.91Å; L433-K436 PolarHBondContact O-N 3.03Å; L433-I437 HydrophobicContact CB-CG1 4.34Å; L433-I437 HydrophobicContact CD2-CD1 3.72Å; L433-I437 HydrophobicContact CD2-CG1 4.11Å; L433-I437 CarbonylContact O-C 3.55Å; L433-I437 WeakPolarHBondContact O-CA 3.43Å; L433-I437 WeakPolarHBondContact O-CG1 3.31Å; L433-I437 PolarHBondContact O-N 3.38Å; L433-F441 HydrophobicContact CB-CD2 3.86Å; L433-F441 HydrophobicContact CB-CE2 4.13Å; L433-F441 HydrophobicContact CB-CG 4.27Å; L433-F441 HydrophobicContact CD1-CD2 4.05Å; L433-F441 HydrophobicContact CD1-CE2 3.79Å; L433-Y460 HydrophobicContact CD1-CD1 4.26Å; L433-Y460 HydrophobicContact CD1-CE1 3.83Å; L433-L475 HydrophobicContact CD2-CD1 3.86Å; L433-L475 HydrophobicContact CG-CD1 4.26Å; L433-T478 HydrophobicContact CD2-CG2 3.86Å; L433-L479 HydrophobicContact CD2-CD2 3.87Å; L433-L479 HydrophobicContact CD2-CG 4.29Å
434	L	94.3	Very high	91.8	Very high	64 Å²	64	76.9 Å²	76.9	34%	0.335	38%	0.379	S	S	.	.	H	α-helix	trans	-63.5	-33.7	176.1	-77.2	168.8	0	0	0	113	Q430 R438 F441	Q430-L434 HydrophobicContact CG-CD1 4.19Å; Q430-L434 WeakPolarHBondContact O-CG 3.5Å; Q430-L434 PolarHBondContact O-N 3.45Å; L434-R438 VanDerWaalsContact O-CB 3.27Å; L434-R438 WeakPolarHBondContact O-CB 3.49Å; L434-F441 HydrophobicContact CD2-CD1 3.48Å; L434-F441 VanDerWaalsContact CD2-CD1 3.48Å; L434-F441 HydrophobicContact CD2-CE1 3.74Å; L434-F441 HydrophobicContact CG-CD1 3.92Å; L434-F441 HydrophobicContact CG-CE1 3.89Å
435	E	93.2	Very high	92.4	Very high	103 Å²	103	73 Å²	73	48%	0.481	36%	0.363	S	S	.	.	H	α-helix	trans	-73.7	-44.9	177.5	176.5	-177	-170.6	0	0	112.2	K427 N431 L432 L433	K427-E435 WeakPolarHBondContact CD-OE2 3.34Å; K427-E435 IonicContact NZ-OE1 3.17Å; K427-E435 PolarHBondContact NZ-OE1 2.93Å; K427-E435 IonicContact NZ-OE2 2.71Å; K427-E435 PolarHBondContact NZ-OE2 3.46Å; N431-E435 VanDerWaalsContact O-CB 3.29Å; N431-E435 WeakPolarHBondContact O-CB 3.28Å; N431-E435 PolarHBondContact O-N 3.03Å; L432-E435 PolarHBondContact O-N 3.47Å; L433-E435 VanDerWaalsContact C-N 3.29Å; L433-E435 PolarHBondContact O-N 2.91Å
436	K	93	Very high	92.9	Very high	117 Å²	117	72.3 Å²	72.3	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-89.9	-38.1	-171.2	-69.6	-66.9	-178.2	-175	0	113.4	L432 L433 L479 Q483	L432-K436 HydrophobicContact CD1-CG 4.06Å; L432-K436 WeakPolarHBondContact O-CB 3.23Å; L432-K436 PolarHBondContact O-N 3.3Å; L433-K436 PolarHBondContact O-N 3.03Å; K436-L479 HydrophobicContact CB-CD2 3.84Å; K436-L479 HydrophobicContact CG-CD2 4.4Å; K436-Q483 PolarHBondContact O-NE2 3.03Å
437	I	93.9	Very high	93.2	Very high	7 Å²	7	65.9 Å²	65.9	4%	0.036	33%	0.329	C	S	.	.	S	Bend	trans	-133.9	43.1	-170.7	59.9	162.4	0	0	0	111.6	L433 D439 S440 F441 F446 T478 L479 Q483	L433-I437 HydrophobicContact CB-CG1 4.34Å; L433-I437 HydrophobicContact CD2-CD1 3.72Å; L433-I437 HydrophobicContact CD2-CG1 4.11Å; L433-I437 CarbonylContact O-C 3.55Å; L433-I437 WeakPolarHBondContact O-CA 3.43Å; L433-I437 WeakPolarHBondContact O-CG1 3.31Å; L433-I437 PolarHBondContact O-N 3.38Å; I437-D439 VanDerWaalsContact C-N 3.32Å; I437-D439 PolarHBondContact O-N 2.84Å; I437-S440 PolarHBondContact O-N 2.67Å; I437-F441 HydrophobicContact CG1-CB 4.36Å; I437-F441 WeakPolarHBondContact O-CB 3.5Å; I437-F441 PolarHBondContact O-N 3.19Å; I437-F446 HydrophobicContact CD1-CE1 3.97Å; I437-F446 HydrophobicContact CD1-CZ 4.16Å; I437-T478 HydrophobicContact CD1-CG2 4.28Å; I437-L479 HydrophobicContact CG1-CD2 4.37Å; I437-L479 HydrophobicContact CG2-CD2 4.47Å; I437-Q483 HydrophobicContact CG2-CG 4.22Å
438	R	93.2	Very high	93.3	Very high	172 Å²	172	64.8 Å²	64.8	65%	0.649	33%	0.331	S	S	*	.	H	α-helix	trans	-47.8	-50.5	-174.7	-168.5	178.1	173.2	177.5	-3.3	113.7	L434 F441 T442	L434-R438 VanDerWaalsContact O-CB 3.27Å; L434-R438 WeakPolarHBondContact O-CB 3.49Å; R438-F441 PolarHBondContact O-N 3.3Å; R438-T442 WeakPolarHBondContact O-CG2 3.24Å; R438-T442 PolarHBondContact O-N 2.7Å; R438-T442 VanDerWaalsContact O-N 3.1Å; R438-T442 PolarHBondContact O-OG1 2.9Å
439	D	92.3	Very high	93.2	Very high	132 Å²	132	63.4 Å²	63.4	71%	0.706	32%	0.322	S	S	*	.	H	α-helix	trans	-67.8	-47.7	-173.9	-58.4	-26.5	0	0	0	110.6	I437 F441 T442 H443	I437-D439 VanDerWaalsContact C-N 3.32Å; I437-D439 PolarHBondContact O-N 2.84Å; D439-F441 PolarHBondContact O-N 3.21Å; D439-T442 PolarHBondContact O-N 2.92Å; D439-T442 PolarHBondContact O-OG1 2.99Å; D439-T442 VanDerWaalsContact O-OG1 3.07Å; D439-H443 PolarHBondContact O-N 3.48Å
440	S	93.1	Very high	93.3	Very high	30 Å²	30	63.4 Å²	63.4	21%	0.21	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-41.5	175.3	-55.4	0	0	0	0	112.1	I437 T442 H443 F446 G482	I437-S440 PolarHBondContact O-N 2.67Å; S440-T442 VanDerWaalsContact C-N 3.29Å; S440-T442 PolarHBondContact O-N 3.5Å; S440-H443 WeakPolarHBondContact O-CB 3.49Å; S440-H443 PolarHBondContact O-N 3.32Å; S440-H443 VanDerWaalsContact O-N 3.13Å; S440-F446 WeakPolarHBondContact O-CB 3.34Å; S440-F446 WeakPolarHBondContact O-CD1 3.17Å; S440-F446 WeakPolarHBondContact O-CG 3.45Å; S440-G482 WeakPolarHBondContact CB-O 3.3Å; S440-G482 PolarHBondContact OG-O 2.9Å
441	F	92.5	Very high	93.4	Very high	29 Å²	29	60.2 Å²	60.2	13%	0.127	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-34.2	-179.3	-178.8	-107.4	0	0	0	112.8	Q430 L433 L434 I437 R438 D439 L451 Y460	Q430-F441 HydrophobicContact CG-CZ 4.32Å; L433-F441 HydrophobicContact CB-CD2 3.86Å; L433-F441 HydrophobicContact CB-CE2 4.13Å; L433-F441 HydrophobicContact CB-CG 4.27Å; L433-F441 HydrophobicContact CD1-CD2 4.05Å; L433-F441 HydrophobicContact CD1-CE2 3.79Å; L434-F441 HydrophobicContact CD2-CD1 3.48Å; L434-F441 VanDerWaalsContact CD2-CD1 3.48Å; L434-F441 HydrophobicContact CD2-CE1 3.74Å; L434-F441 HydrophobicContact CG-CD1 3.92Å; L434-F441 HydrophobicContact CG-CE1 3.89Å; I437-F441 HydrophobicContact CG1-CB 4.36Å; I437-F441 WeakPolarHBondContact O-CB 3.5Å; I437-F441 PolarHBondContact O-N 3.19Å; R438-F441 PolarHBondContact O-N 3.3Å; D439-F441 PolarHBondContact O-N 3.21Å; F441-L451 HydrophobicContact CD2-CD1 3.67Å; F441-L451 HydrophobicContact CD2-CD2 4.3Å; F441-L451 HydrophobicContact CE2-CD1 3.89Å; F441-Y460 AromaticContact CE2-CE1 3.85Å; F441-Y460 HydrophobicContact CE2-CE1 3.85Å; F441-Y460 HydrophobicContact CE2-CE2 4.43Å; F441-Y460 AromaticContact CE2-CZ 3.65Å; F441-Y460 WeakPolarHBondContact CE2-OH 3.26Å; F441-Y460 HydrophobicContact CZ-CE1 4.27Å; F441-Y460 HydrophobicContact CZ-CE2 4.23Å; F441-Y460 AromaticContact CZ-CZ 3.89Å
442	T	91.6	Very high	93.3	Very high	94 Å²	94	61.5 Å²	61.5	58%	0.577	31%	0.308	S	S	*	.	H	α-helix	trans	-83.7	-13.2	177	55.1	0	0	0	0	113.4	R438 D439 S440 P444	R438-T442 WeakPolarHBondContact O-CG2 3.24Å; R438-T442 PolarHBondContact O-N 2.7Å; R438-T442 VanDerWaalsContact O-N 3.1Å; R438-T442 PolarHBondContact O-OG1 2.9Å; D439-T442 PolarHBondContact O-N 2.92Å; D439-T442 PolarHBondContact O-OG1 2.99Å; D439-T442 VanDerWaalsContact O-OG1 3.07Å; S440-T442 VanDerWaalsContact C-N 3.29Å; S440-T442 PolarHBondContact O-N 3.5Å; T442-P444 WeakPolarHBondContact O-CD 3.35Å
443	H	93.6	Very high	93.2	Very high	98 Å²	98	62.5 Å²	62.5	45%	0.454	32%	0.317	S	S	.	.			trans	-75.4	121.6	-177.8	-162.9	-85.3	0	0	0	112.2	D439 S440 Q445 F446 S447	D439-H443 PolarHBondContact O-N 3.48Å; S440-H443 WeakPolarHBondContact O-CB 3.49Å; S440-H443 PolarHBondContact O-N 3.32Å; S440-H443 VanDerWaalsContact O-N 3.13Å; H443-Q445 VanDerWaalsContact C-N 3.29Å; H443-Q445 VanDerWaalsContact CE1-CB 3.47Å; H443-Q445 WeakPolarHBondContact CE1-CB 3.27Å; H443-Q445 VanDerWaalsContact ND1-CB 3.35Å; H443-Q445 WeakPolarHBondContact ND1-CB 3.44Å; H443-Q445 PolarHBondContact ND1-N 2.87Å; H443-Q445 PolarHBondContact O-N 2.97Å; H443-F446 HydrophobicContact CB-CB 4.17Å; H443-F446 PolarHBondContact O-N 3.43Å; H443-F446 VanDerWaalsContact O-N 3.07Å; H443-S447 PolarHBondContact O-N 2.87Å; H443-S447 VanDerWaalsContact O-N 3.12Å
444	P	93	Very high	93.2	Very high	99 Å²	99	62.7 Å²	62.7	64%	0.643	32%	0.317	S	S	*	.	H	α-helix	trans	-58.3	-35.8	-176.5	-26.9	35	0	0	0	114.6	T442 S447 T448	T442-P444 WeakPolarHBondContact O-CD 3.35Å; P444-S447 PolarHBondContact O-N 3.46Å; P444-T448 PolarHBondContact O-N 3.13Å; P444-T448 VanDerWaalsContact O-N 3.14Å; P444-T448 PolarHBondContact O-OG1 2.94Å
445	Q	92.2	Very high	93.1	Very high	101 Å²	101	63.1 Å²	63.1	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-67.3	-39.9	177.7	-169.6	178.7	-11.5	0	0	111.7	H443 S447 T448 D449	H443-Q445 VanDerWaalsContact C-N 3.29Å; H443-Q445 VanDerWaalsContact CE1-CB 3.47Å; H443-Q445 WeakPolarHBondContact CE1-CB 3.27Å; H443-Q445 VanDerWaalsContact ND1-CB 3.35Å; H443-Q445 WeakPolarHBondContact ND1-CB 3.44Å; H443-Q445 PolarHBondContact ND1-N 2.87Å; H443-Q445 PolarHBondContact O-N 2.97Å; Q445-S447 VanDerWaalsContact C-N 3.32Å; Q445-S447 PolarHBondContact O-N 2.92Å; Q445-T448 PolarHBondContact O-N 2.89Å; Q445-D449 VanDerWaalsContact O-CB 3.32Å; Q445-D449 WeakPolarHBondContact O-CB 3.44Å; Q445-D449 PolarHBondContact O-N 3.36Å
446	F	94.4	Very high	93.1	Very high	11 Å²	11	58.2 Å²	58.2	5%	0.048	30%	0.295	C	S	.	.	H	α-helix	trans	-68	-36.1	178.2	-174.5	-97.8	0	0	0	111.2	I437 S440 H443 T448 V450 L451 T478 L481 G482 F512	I437-F446 HydrophobicContact CD1-CE1 3.97Å; I437-F446 HydrophobicContact CD1-CZ 4.16Å; S440-F446 WeakPolarHBondContact O-CB 3.34Å; S440-F446 WeakPolarHBondContact O-CD1 3.17Å; S440-F446 WeakPolarHBondContact O-CG 3.45Å; H443-F446 HydrophobicContact CB-CB 4.17Å; H443-F446 PolarHBondContact O-N 3.43Å; H443-F446 VanDerWaalsContact O-N 3.07Å; F446-T448 VanDerWaalsContact C-N 3.3Å; F446-T448 PolarHBondContact O-N 3.39Å; F446-V450 HydrophobicContact CD1-CB 4.47Å; F446-V450 HydrophobicContact CD2-CB 4.2Å; F446-V450 HydrophobicContact CD2-CG2 3.81Å; F446-V450 HydrophobicContact CE1-CB 4.21Å; F446-V450 HydrophobicContact CE1-CG1 4.29Å; F446-V450 HydrophobicContact CE2-CB 3.93Å; F446-V450 HydrophobicContact CE2-CG1 4.15Å; F446-V450 HydrophobicContact CE2-CG2 3.62Å; F446-V450 HydrophobicContact CG-CB 4.47Å; F446-V450 HydrophobicContact CG-CG2 4.47Å; F446-V450 HydrophobicContact CZ-CB 3.93Å; F446-V450 HydrophobicContact CZ-CG1 3.81Å; F446-V450 HydrophobicContact CZ-CG2 4.13Å; F446-V450 WeakPolarHBondContact O-CA 3.2Å; F446-V450 WeakPolarHBondContact O-CB 3.46Å; F446-V450 PolarHBondContact O-N 3Å; F446-L451 HydrophobicContact CD1-CD1 4.16Å; F446-L451 HydrophobicContact CD1-CD2 4.45Å; F446-L451 HydrophobicContact CD1-CG 3.98Å; F446-L451 HydrophobicContact CE1-CD1 4.46Å; F446-L451 HydrophobicContact CE1-CD2 3.98Å; F446-L451 HydrophobicContact CE1-CG 4Å; F446-L451 PolarHBondContact O-N 3.34Å; F446-T478 HydrophobicContact CE1-CG2 4.23Å; F446-T478 HydrophobicContact CZ-CG2 4.29Å; F446-L481 HydrophobicContact CE2-CB 4.31Å; F446-G482 VanDerWaalsContact CZ-CA 3.49Å; F446-F512 HydrophobicContact CD2-CD2 4.38Å; F446-F512 AromaticContact CD2-CE2 3.87Å; F446-F512 HydrophobicContact CD2-CE2 3.87Å; F446-F512 HydrophobicContact CE2-CD2 4.47Å; F446-F512 AromaticContact CE2-CE2 3.97Å; F446-F512 HydrophobicContact CE2-CE2 3.97Å
447	S	93.6	Very high	92.9	Very high	25 Å²	25	57.2 Å²	57.2	18%	0.175	29%	0.292	C	S	.	.	I	π-helix	trans	-58.3	-44.3	171.6	175.9	0	0	0	0	112	H443 P444 Q445 L451 K452	H443-S447 PolarHBondContact O-N 2.87Å; H443-S447 VanDerWaalsContact O-N 3.12Å; P444-S447 PolarHBondContact O-N 3.46Å; Q445-S447 VanDerWaalsContact C-N 3.32Å; Q445-S447 PolarHBondContact O-N 2.92Å; S447-L451 PolarHBondContact O-N 3.27Å; S447-K452 WeakPolarHBondContact O-CG 3.26Å; S447-K452 PolarHBondContact O-N 2.84Å
448	T	92.3	Very high	92.6	Very high	68 Å²	68	64.6 Å²	64.6	42%	0.417	32%	0.319	S	S	.	.	I	π-helix	trans	-74.6	-39.8	-178.5	-53.7	0	0	0	0	112.7	P444 Q445 F446 P453	P444-T448 PolarHBondContact O-N 3.13Å; P444-T448 VanDerWaalsContact O-N 3.14Å; P444-T448 PolarHBondContact O-OG1 2.94Å; Q445-T448 PolarHBondContact O-N 2.89Å; F446-T448 VanDerWaalsContact C-N 3.3Å; F446-T448 PolarHBondContact O-N 3.39Å; T448-P453 VanDerWaalsContact O-CD 3.32Å; T448-P453 WeakPolarHBondContact O-CD 3.43Å; T448-P453 WeakPolarHBondContact O-CG 3.43Å
449	D	92	Very high	92.4	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.037	29%	0.289	C	S	.	.	I	π-helix	trans	-82.6	-30.4	-175.2	-72.2	-5	0	0	0	112.4	Q445 R511 H515	Q445-D449 VanDerWaalsContact O-CB 3.32Å; Q445-D449 WeakPolarHBondContact O-CB 3.44Å; Q445-D449 PolarHBondContact O-N 3.36Å; D449-R511 IonicContact OD1-CZ 2.68Å; D449-R511 IonicContact OD1-NE 2.79Å; D449-R511 PolarHBondContact OD1-NE 3.09Å; D449-R511 IonicContact OD1-NH2 2.88Å; D449-R511 PolarHBondContact OD1-NH2 3.45Å; D449-R511 IonicContact OD2-NE 3.75Å; D449-H515 IonicContact OD2-CE1 2.72Å; D449-H515 IonicContact OD2-ND1 3.94Å; D449-H515 PolarHBondContact OD2-ND1 3.38Å
450	V	95.3	Very high	92.3	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	I	π-helix	trans	-124.9	-57.2	-171.1	-175	0	0	0	0	113.1	F446 P453 L454 T478 L481 V508 F512	F446-V450 HydrophobicContact CD1-CB 4.47Å; F446-V450 HydrophobicContact CD2-CB 4.2Å; F446-V450 HydrophobicContact CD2-CG2 3.81Å; F446-V450 HydrophobicContact CE1-CB 4.21Å; F446-V450 HydrophobicContact CE1-CG1 4.29Å; F446-V450 HydrophobicContact CE2-CB 3.93Å; F446-V450 HydrophobicContact CE2-CG1 4.15Å; F446-V450 HydrophobicContact CE2-CG2 3.62Å; F446-V450 HydrophobicContact CG-CB 4.47Å; F446-V450 HydrophobicContact CG-CG2 4.47Å; F446-V450 HydrophobicContact CZ-CB 3.93Å; F446-V450 HydrophobicContact CZ-CG1 3.81Å; F446-V450 HydrophobicContact CZ-CG2 4.13Å; F446-V450 WeakPolarHBondContact O-CA 3.2Å; F446-V450 WeakPolarHBondContact O-CB 3.46Å; F446-V450 PolarHBondContact O-N 3Å; V450-P453 WeakPolarHBondContact O-CD 3.43Å; V450-L454 HydrophobicContact CG1-CD1 3.84Å; V450-L454 VanDerWaalsContact O-CB 3.29Å; V450-L454 WeakPolarHBondContact O-CB 3.24Å; V450-L454 WeakPolarHBondContact O-CG 3.43Å; V450-L454 PolarHBondContact O-N 2.71Å; V450-L454 VanDerWaalsContact O-N 3.11Å; V450-T478 HydrophobicContact CG1-CG2 4.21Å; V450-L481 HydrophobicContact CG1-CD1 4.28Å; V450-L481 HydrophobicContact CG2-CD1 4.27Å; V450-V508 HydrophobicContact CB-CG1 4.19Å; V450-V508 HydrophobicContact CG1-CG1 4.05Å; V450-V508 HydrophobicContact CG2-CG1 4.01Å; V450-F512 HydrophobicContact CG2-CB 4.44Å; V450-F512 HydrophobicContact CG2-CD2 3.82Å; V450-F512 HydrophobicContact CG2-CG 4.34Å
451	L	95.3	Very high	92.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.283	C	S	.	.	I	π-helix	trans	-66.3	-47.3	-169.5	-61	173.5	0	0	0	113.2	F441 F446 S447 Q455 M456 T478	F441-L451 HydrophobicContact CD2-CD1 3.67Å; F441-L451 HydrophobicContact CD2-CD2 4.3Å; F441-L451 HydrophobicContact CE2-CD1 3.89Å; F446-L451 HydrophobicContact CD1-CD1 4.16Å; F446-L451 HydrophobicContact CD1-CD2 4.45Å; F446-L451 HydrophobicContact CD1-CG 3.98Å; F446-L451 HydrophobicContact CE1-CD1 4.46Å; F446-L451 HydrophobicContact CE1-CD2 3.98Å; F446-L451 HydrophobicContact CE1-CG 4Å; F446-L451 PolarHBondContact O-N 3.34Å; S447-L451 PolarHBondContact O-N 3.27Å; L451-Q455 PolarHBondContact O-N 2.79Å; L451-M456 HydrophobicContact CB-CB 4.47Å; L451-M456 HydrophobicContact CD2-CB 4.13Å; L451-M456 HydrophobicContact CD2-CG 4.25Å; L451-M456 PolarHBondContact O-N 3.07Å; L451-T478 HydrophobicContact CD2-CG2 3.5Å
452	K	93	Very high	91.9	Very high	112 Å²	112	57.4 Å²	57.4	49%	0.487	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-49.3	-179.5	-70	178.1	-176.5	179	0	112.4	S447 L454 Q455 E457	S447-K452 WeakPolarHBondContact O-CG 3.26Å; S447-K452 PolarHBondContact O-N 2.84Å; K452-L454 VanDerWaalsContact C-N 3.32Å; K452-L454 PolarHBondContact O-N 3.38Å; K452-Q455 WeakPolarHBondContact O-CA 3.24Å; K452-Q455 PolarHBondContact O-N 3.3Å; K452-E457 WeakPolarHBondContact CE-OE1 3.13Å; K452-E457 VanDerWaalsContact CG-OE1 3.31Å; K452-E457 WeakPolarHBondContact CG-OE1 3.26Å
453	P	91.8	Very high	91.9	Very high	43 Å²	43	57.3 Å²	57.3	28%	0.279	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-33.9	-179.9	-22.5	35.4	0	0	0	113	T448 V450 Q455 V508	T448-P453 VanDerWaalsContact O-CD 3.32Å; T448-P453 WeakPolarHBondContact O-CD 3.43Å; T448-P453 WeakPolarHBondContact O-CG 3.43Å; V450-P453 WeakPolarHBondContact O-CD 3.43Å; P453-Q455 PolarHBondContact O-N 2.81Å; P453-V508 HydrophobicContact CB-CG2 3.51Å; P453-V508 HydrophobicContact CG-CG2 4.15Å
454	L	94.3	Very high	91.8	Very high	3 Å²	3	53 Å²	53	2%	0.016	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	5.7	171.8	-63.9	-179.8	0	0	0	113.2	V450 K452 M456 R474 I477 T478 A505 V508	V450-L454 HydrophobicContact CG1-CD1 3.84Å; V450-L454 VanDerWaalsContact O-CB 3.29Å; V450-L454 WeakPolarHBondContact O-CB 3.24Å; V450-L454 WeakPolarHBondContact O-CG 3.43Å; V450-L454 PolarHBondContact O-N 2.71Å; V450-L454 VanDerWaalsContact O-N 3.11Å; K452-L454 VanDerWaalsContact C-N 3.32Å; K452-L454 PolarHBondContact O-N 3.38Å; L454-M456 HydrophobicContact CB-CG 3.99Å; L454-M456 HydrophobicContact CB-SD 4.39Å; L454-M456 PolarHBondContact O-N 3.29Å; L454-M456 VanDerWaalsContact O-N 3.17Å; L454-R474 HydrophobicContact CD2-CG 4.49Å; L454-R474 WeakPolarHBondContact O-CD 3.17Å; L454-R474 PolarHBondContact O-NH1 2.77Å; L454-I477 HydrophobicContact CD1-CB 4.39Å; L454-I477 HydrophobicContact CD1-CG2 4.01Å; L454-T478 WeakPolarHBondContact CD1-OG1 3.22Å; L454-A505 HydrophobicContact CD2-CB 4.31Å; L454-V508 HydrophobicContact CD1-CG1 4.14Å; L454-V508 HydrophobicContact CD2-CB 4.48Å; L454-V508 HydrophobicContact CD2-CG2 4.19Å; L454-V508 HydrophobicContact CG-CG1 4.22Å; L454-V508 HydrophobicContact CG-CG2 4.13Å
455	Q	91	Very high	91.6	Very high	73 Å²	73	52.4 Å²	52.4	34%	0.341	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	39.3	178.2	-54.2	178.5	-2.2	0	0	113.3	L451 K452 P453 E457 R474	L451-Q455 PolarHBondContact O-N 2.79Å; K452-Q455 WeakPolarHBondContact O-CA 3.24Å; K452-Q455 PolarHBondContact O-N 3.3Å; P453-Q455 PolarHBondContact O-N 2.81Å; Q455-E457 VanDerWaalsContact C-N 3.33Å; Q455-E457 PolarHBondContact O-N 2.77Å; Q455-R474 PolarHBondContact O-NH1 2.88Å
456	M	92.9	Very high	91.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-71.2	-28.2	-176.4	-68.2	-54.4	-56.6	0	0	112.9	V429 L451 L454 R458 L459 Y460 R474 L475 T478	V429-M456 HydrophobicContact CG1-CE 3.85Å; L451-M456 HydrophobicContact CB-CB 4.47Å; L451-M456 HydrophobicContact CD2-CB 4.13Å; L451-M456 HydrophobicContact CD2-CG 4.25Å; L451-M456 PolarHBondContact O-N 3.07Å; L454-M456 HydrophobicContact CB-CG 3.99Å; L454-M456 HydrophobicContact CB-SD 4.39Å; L454-M456 PolarHBondContact O-N 3.29Å; L454-M456 VanDerWaalsContact O-N 3.17Å; M456-R458 PolarHBondContact O-N 2.96Å; M456-L459 HydrophobicContact CE-CD1 4.09Å; M456-L459 WeakPolarHBondContact O-CB 3.4Å; M456-L459 PolarHBondContact O-N 2.93Å; M456-L459 HydrophobicContact SD-CD1 4.14Å; M456-Y460 HydrophobicContact CB-CE1 4.12Å; M456-Y460 VanDerWaalsContact O-CD1 3.23Å; M456-Y460 WeakPolarHBondContact O-CD1 3.5Å; M456-Y460 WeakPolarHBondContact O-CE1 3.46Å; M456-Y460 PolarHBondContact O-N 2.82Å; M456-R474 HydrophobicContact SD-CB 3.93Å; M456-L475 HydrophobicContact CE-CB 3.92Å; M456-L475 HydrophobicContact CE-CD1 3.72Å; M456-L475 HydrophobicContact CE-CG 4.42Å; M456-T478 HydrophobicContact CG-CG2 4.37Å; M456-T478 WeakPolarHBondContact CG-OG1 3.38Å
457	E	90.1	Very high	91.3	Very high	96 Å²	96	53.1 Å²	53.1	45%	0.449	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-56.1	-36.5	-178.3	-64.5	175.7	170.7	0	0	112.4	K452 Q455 L459 Y460	K452-E457 WeakPolarHBondContact CE-OE1 3.13Å; K452-E457 VanDerWaalsContact CG-OE1 3.31Å; K452-E457 WeakPolarHBondContact CG-OE1 3.26Å; Q455-E457 VanDerWaalsContact C-N 3.33Å; Q455-E457 PolarHBondContact O-N 2.77Å; E457-L459 PolarHBondContact O-N 3.5Å; E457-Y460 HydrophobicContact CB-CE2 4.16Å; E457-Y460 HydrophobicContact CG-CE2 3.97Å; E457-Y460 PolarHBondContact O-N 3.02Å
458	R	86.3	Confident	91.1	Very high	162 Å²	162	54.8 Å²	54.8	61%	0.611	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-69.9	-14.3	178.8	-63.4	-178.9	178.1	173.5	-0.9	114	M456	M456-R458 PolarHBondContact O-N 2.96Å
459	L	89.9	Confident	90.8	Very high	4 Å²	4	53 Å²	53	2%	0.021	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-104.1	-8.2	-175	-50.9	-179.9	0	0	0	112.4	V429 M456 E457 D461 Q462 L467 E471	V429-L459 VanDerWaalsContact CB-O 3.29Å; V429-L459 WeakPolarHBondContact CB-O 3.29Å; V429-L459 HydrophobicContact CG1-CB 4.49Å; V429-L459 HydrophobicContact CG2-CB 4.32Å; V429-L459 WeakPolarHBondContact CG2-O 3.05Å; M456-L459 HydrophobicContact CE-CD1 4.09Å; M456-L459 WeakPolarHBondContact O-CB 3.4Å; M456-L459 PolarHBondContact O-N 2.93Å; M456-L459 HydrophobicContact SD-CD1 4.14Å; E457-L459 PolarHBondContact O-N 3.5Å; L459-D461 VanDerWaalsContact C-N 3.3Å; L459-D461 PolarHBondContact O-N 2.82Å; L459-Q462 WeakPolarHBondContact O-CB 3.29Å; L459-Q462 PolarHBondContact O-N 3.23Å; L459-L467 HydrophobicContact CD2-CD2 4.47Å; L459-E471 HydrophobicContact CD1-CB 3.99Å; L459-E471 HydrophobicContact CD1-CG 3.88Å; L459-E471 HydrophobicContact CD2-CG 3.76Å; L459-E471 WeakPolarHBondContact CD2-OE1 3.23Å
460	Y	91	Very high	90.8	Very high	37 Å²	37	53 Å²	53	15%	0.145	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-43.5	-172.4	-76.2	-8.1	0	0	0	114.1	V429 Q430 L433 F441 M456 E457 Q462	V429-Y460 HydrophobicContact CG1-CD1 4.41Å; Q430-Y460 HydrophobicContact CB-CG 4.27Å; Q430-Y460 WeakPolarHBondContact CB-O 3.49Å; Q430-Y460 HydrophobicContact CG-CG 4.5Å; Q430-Y460 PolarHBondContact N-O 3.09Å; Q430-Y460 VanDerWaalsContact N-O 3.13Å; L433-Y460 HydrophobicContact CD1-CD1 4.26Å; L433-Y460 HydrophobicContact CD1-CE1 3.83Å; F441-Y460 AromaticContact CE2-CE1 3.85Å; F441-Y460 HydrophobicContact CE2-CE1 3.85Å; F441-Y460 HydrophobicContact CE2-CE2 4.43Å; F441-Y460 AromaticContact CE2-CZ 3.65Å; F441-Y460 WeakPolarHBondContact CE2-OH 3.26Å; F441-Y460 HydrophobicContact CZ-CE1 4.27Å; F441-Y460 HydrophobicContact CZ-CE2 4.23Å; F441-Y460 AromaticContact CZ-CZ 3.89Å; M456-Y460 HydrophobicContact CB-CE1 4.12Å; M456-Y460 VanDerWaalsContact O-CD1 3.23Å; M456-Y460 WeakPolarHBondContact O-CD1 3.5Å; M456-Y460 WeakPolarHBondContact O-CE1 3.46Å; M456-Y460 PolarHBondContact O-N 2.82Å; E457-Y460 HydrophobicContact CB-CE2 4.16Å; E457-Y460 HydrophobicContact CG-CE2 3.97Å; E457-Y460 PolarHBondContact O-N 3.02Å; Y460-Q462 VanDerWaalsContact C-N 3.33Å
461	D	87.9	Confident	90.6	Very high	121 Å²	121	54.9 Å²	54.9	65%	0.647	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.9	-178.7	-62	-38.2	0	0	0	113.7	L459	L459-D461 VanDerWaalsContact C-N 3.3Å; L459-D461 PolarHBondContact O-N 2.82Å
462	Q	89.3	Confident	90.6	Very high	51 Å²	51	55.5 Å²	55.5	24%	0.238	28%	0.28	C	S	.	.	S	Bend	trans	-80.4	144.6	179.6	-66.7	-178.1	-26.1	0	0	110.7	T428 V429 L459 Y460 L467	T428-Q462 CarbonylContact C-O 3.56Å; T428-Q462 VanDerWaalsContact CA-O 3.26Å; T428-Q462 WeakPolarHBondContact CA-O 3.26Å; V429-Q462 PolarHBondContact N-O 3.34Å; L459-Q462 WeakPolarHBondContact O-CB 3.29Å; L459-Q462 PolarHBondContact O-N 3.23Å; Y460-Q462 VanDerWaalsContact C-N 3.33Å; Q462-L467 HydrophobicContact CB-CD2 3.82Å
463	Q	90.2	Very high	90.7	Very high	91 Å²	91	50.2 Å²	50.2	43%	0.425	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-76.5	139.8	170.4	-68.3	179.1	-54.3	0	0	109.7	E426 M465 N466	E426-Q463 PolarHBondContact O-NE2 3.45Å; Q463-M465 PolarHBondContact O-N 3.45Å; Q463-N466 PolarHBondContact O-N 3.22Å; Q463-N466 PolarHBondContact OE1-ND2 2.78Å
464	V	91.8	Very high	90.8	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.042	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-59	-32.4	-178.9	179	0	0	0	0	111.5	P423 S425 K427 V429 L432 N466 L467 L472 L475	P423-V464 HydrophobicContact CB-CG1 4.41Å; P423-V464 WeakPolarHBondContact CB-O 3.38Å; S425-V464 WeakPolarHBondContact O-CB 3.41Å; K427-V464 PolarHBondContact O-N 3.32Å; K427-V464 VanDerWaalsContact O-N 3.09Å; V429-V464 HydrophobicContact CG2-CG2 4.1Å; L432-V464 HydrophobicContact CD2-CG2 3.94Å; V464-N466 PolarHBondContact O-N 2.77Å; V464-L467 PolarHBondContact O-N 3.44Å; V464-L472 HydrophobicContact CG1-CD2 3.79Å; V464-L475 HydrophobicContact CG1-CD2 4.13Å; V464-L475 HydrophobicContact CG2-CD2 3.94Å
465	M	90.1	Very high	90.9	Very high	87 Å²	87	49 Å²	49	43%	0.429	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-57.2	-28.3	173.3	-61.8	-56.3	-74.1	0	0	115.3	P423 S425 E426 Q463	P423-M465 HydrophobicContact CB-SD 4.12Å; S425-M465 WeakPolarHBondContact O-CG 3.49Å; S425-M465 PolarHBondContact O-N 3.07Å; E426-M465 HydrophobicContact CG-CG 4.43Å; Q463-M465 PolarHBondContact O-N 3.45Å
466	N	89.4	Confident	91.1	Very high	114 Å²	114	46.4 Å²	46.4	61%	0.61	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-102.1	1.6	-173.1	-60.1	-27.5	0	0	0	112.9	Q463 V464	Q463-N466 PolarHBondContact O-N 3.22Å; Q463-N466 PolarHBondContact OE1-ND2 2.78Å; V464-N466 PolarHBondContact O-N 2.77Å
467	L	90.2	Very high	91.3	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.068	24%	0.238	C	C	.	.			trans	-72.9	141.8	179.5	-64.1	-175.8	0	0	0	110.6	V429 L459 Q462 V464 E471 L472 L475	V429-L467 HydrophobicContact CG2-CD1 3.67Å; V429-L467 HydrophobicContact CG2-CD2 4.24Å; V429-L467 HydrophobicContact CG2-CG 4.37Å; L459-L467 HydrophobicContact CD2-CD2 4.47Å; Q462-L467 HydrophobicContact CB-CD2 3.82Å; V464-L467 PolarHBondContact O-N 3.44Å; L467-E471 HydrophobicContact CB-CB 3.88Å; L467-E471 HydrophobicContact CD1-CB 4.45Å; L467-E471 HydrophobicContact CD2-CB 4.13Å; L467-E471 HydrophobicContact CG-CB 4.36Å; L467-L472 HydrophobicContact CB-CD2 3.87Å; L467-L472 HydrophobicContact CB-CG 3.71Å; L467-L472 HydrophobicContact CD1-CD2 4.02Å; L467-L472 HydrophobicContact CG-CD2 4.47Å; L467-L475 HydrophobicContact CD1-CD2 3.81Å
468	S	88	Confident	91.6	Very high	60 Å²	60	41.8 Å²	41.8	42%	0.42	22%	0.217	S	C	.	.			trans	-65.6	163.1	167.8	62.6	0	0	0	0	111.7	G470 E471 L472	S468-G470 VanDerWaalsContact C-N 3.29Å; S468-G470 PolarHBondContact O-N 3.28Å; S468-E471 WeakPolarHBondContact CB-OE2 3.37Å; S468-E471 PolarHBondContact N-OE2 3.13Å; S468-E471 PolarHBondContact O-N 2.89Å; S468-E471 VanDerWaalsContact O-N 3.1Å; S468-E471 WeakPolarHBondContact OG-CB 3.49Å; S468-E471 VanDerWaalsContact OG-CG 3.26Å; S468-E471 WeakPolarHBondContact OG-CG 3.5Å; S468-E471 PolarHBondContact OG-N 2.81Å; S468-E471 PolarHBondContact OG-OE2 2.98Å; S468-L472 WeakPolarHBondContact O-CG 3.36Å; S468-L472 PolarHBondContact O-N 3.09Å
469	G	87.9	Confident	92.1	Very high	31 Å²	31	35.9 Å²	35.9	32%	0.32	20%	0.197	S	C	.	.	H	α-helix	trans	-54.1	-43.3	177.3	0	0	0	0	0	113.2	L472 Q473	G469-L472 PolarHBondContact O-N 3.3Å; G469-Q473 WeakPolarHBondContact O-CB 3.38Å; G469-Q473 PolarHBondContact O-N 2.96Å
470	G	90.3	Very high	92.4	Very high	8 Å²	8	36 Å²	36	8%	0.082	20%	0.198	C	C	.	.	H	α-helix	trans	-69.4	-33.7	177.1	0	0	0	0	0	113.7	S468 R474	S468-G470 VanDerWaalsContact C-N 3.29Å; S468-G470 PolarHBondContact O-N 3.28Å; G470-R474 WeakPolarHBondContact O-CG 3.46Å; G470-R474 PolarHBondContact O-N 2.86Å; G470-R474 VanDerWaalsContact O-N 3.08Å
471	E	92.7	Very high	92.7	Very high	38 Å²	38	34.2 Å²	34.2	18%	0.178	19%	0.191	C	C	.	.	H	α-helix	trans	-68.5	-43.2	172.6	-76.2	162.6	160.3	0	0	112	L459 L467 S468 Q473 R474 L475	L459-E471 HydrophobicContact CD1-CB 3.99Å; L459-E471 HydrophobicContact CD1-CG 3.88Å; L459-E471 HydrophobicContact CD2-CG 3.76Å; L459-E471 WeakPolarHBondContact CD2-OE1 3.23Å; L467-E471 HydrophobicContact CB-CB 3.88Å; L467-E471 HydrophobicContact CD1-CB 4.45Å; L467-E471 HydrophobicContact CD2-CB 4.13Å; L467-E471 HydrophobicContact CG-CB 4.36Å; S468-E471 WeakPolarHBondContact CB-OE2 3.37Å; S468-E471 PolarHBondContact N-OE2 3.13Å; S468-E471 PolarHBondContact O-N 2.89Å; S468-E471 VanDerWaalsContact O-N 3.1Å; S468-E471 WeakPolarHBondContact OG-CB 3.49Å; S468-E471 VanDerWaalsContact OG-CG 3.26Å; S468-E471 WeakPolarHBondContact OG-CG 3.5Å; S468-E471 PolarHBondContact OG-N 2.81Å; S468-E471 PolarHBondContact OG-OE2 2.98Å; E471-Q473 VanDerWaalsContact C-N 3.28Å; E471-Q473 PolarHBondContact O-N 2.91Å; E471-R474 PolarHBondContact O-N 3.08Å; E471-L475 WeakPolarHBondContact O-CB 3.32Å; E471-L475 PolarHBondContact O-N 3.38Å
472	L	93.8	Very high	93	Very high	15 Å²	15	28.5 Å²	28.5	8%	0.079	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-40.8	173.7	-75.4	171.2	0	0	0	111.6	I421 P423 V464 L467 S468 G469 L475 A476	I421-L472 HydrophobicContact CG2-CB 4.11Å; P423-L472 HydrophobicContact CB-CD1 4.1Å; P423-L472 HydrophobicContact CB-CD2 4.05Å; P423-L472 HydrophobicContact CG-CD1 4.05Å; V464-L472 HydrophobicContact CG1-CD2 3.79Å; L467-L472 HydrophobicContact CB-CD2 3.87Å; L467-L472 HydrophobicContact CB-CG 3.71Å; L467-L472 HydrophobicContact CD1-CD2 4.02Å; L467-L472 HydrophobicContact CG-CD2 4.47Å; S468-L472 WeakPolarHBondContact O-CG 3.36Å; S468-L472 PolarHBondContact O-N 3.09Å; G469-L472 PolarHBondContact O-N 3.3Å; L472-L475 PolarHBondContact O-N 2.83Å; L472-A476 WeakPolarHBondContact O-CB 3.36Å; L472-A476 PolarHBondContact O-N 2.89Å
473	Q	94.8	Very high	93.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-47.7	176.5	-171.1	79.6	3.8	0	0	111.7	K417 I421 G469 E471 L475 A476 I477 E492 P493 A495 L497	K417-Q473 VanDerWaalsContact CE-NE2 3.28Å; I421-Q473 HydrophobicContact CD1-CB 4.26Å; I421-Q473 HydrophobicContact CD1-CG 4.5Å; G469-Q473 WeakPolarHBondContact O-CB 3.38Å; G469-Q473 PolarHBondContact O-N 2.96Å; E471-Q473 VanDerWaalsContact C-N 3.28Å; E471-Q473 PolarHBondContact O-N 2.91Å; Q473-L475 VanDerWaalsContact C-N 3.32Å; Q473-L475 PolarHBondContact O-N 2.71Å; Q473-A476 PolarHBondContact O-N 2.82Å; Q473-I477 HydrophobicContact CG-CD1 4.23Å; Q473-I477 WeakPolarHBondContact O-CG1 3.5Å; Q473-I477 PolarHBondContact O-N 3.13Å; Q473-E492 PolarHBondContact NE2-O 2.81Å; Q473-P493 WeakPolarHBondContact CG-O 3.28Å; Q473-P493 PolarHBondContact NE2-O 2.81Å; Q473-A495 VanDerWaalsContact CG-O 3.26Å; Q473-A495 WeakPolarHBondContact CG-O 3.14Å; Q473-L497 HydrophobicContact CB-CD2 3.91Å; Q473-L497 HydrophobicContact CB-CG 4.48Å; Q473-L497 HydrophobicContact CG-CD1 4.37Å; Q473-L497 HydrophobicContact CG-CD2 3.91Å; Q473-L497 HydrophobicContact CG-CG 3.98Å
474	R	95.5	Very high	93.3	Very high	16 Å²	16	29.3 Å²	29.3	6%	0.06	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-40.1	176.3	-71.3	-176.2	-68.2	140	-11.4	112.2	L454 Q455 M456 G470 E471 T478 L497	L454-R474 HydrophobicContact CD2-CG 4.49Å; L454-R474 WeakPolarHBondContact O-CD 3.17Å; L454-R474 PolarHBondContact O-NH1 2.77Å; Q455-R474 PolarHBondContact O-NH1 2.88Å; M456-R474 HydrophobicContact SD-CB 3.93Å; G470-R474 WeakPolarHBondContact O-CG 3.46Å; G470-R474 PolarHBondContact O-N 2.86Å; G470-R474 VanDerWaalsContact O-N 3.08Å; E471-R474 PolarHBondContact O-N 3.08Å; R474-T478 WeakPolarHBondContact O-CB 3.37Å; R474-T478 PolarHBondContact O-N 2.68Å; R474-T478 PolarHBondContact O-OG1 3.09Å; R474-L497 HydrophobicContact CG-CD2 3.94Å
475	L	95.8	Very high	93.4	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-44.9	173.6	177.6	57.9	0	0	0	111.8	V429 L432 L433 M456 V464 L467 E471 L472 Q473 T478 L479	V429-L475 HydrophobicContact CG1-CD1 3.86Å; V429-L475 HydrophobicContact CG2-CD2 4.24Å; L432-L475 HydrophobicContact CD2-CD2 4.19Å; L433-L475 HydrophobicContact CD2-CD1 3.86Å; L433-L475 HydrophobicContact CG-CD1 4.26Å; M456-L475 HydrophobicContact CE-CB 3.92Å; M456-L475 HydrophobicContact CE-CD1 3.72Å; M456-L475 HydrophobicContact CE-CG 4.42Å; V464-L475 HydrophobicContact CG1-CD2 4.13Å; V464-L475 HydrophobicContact CG2-CD2 3.94Å; L467-L475 HydrophobicContact CD1-CD2 3.81Å; E471-L475 WeakPolarHBondContact O-CB 3.32Å; E471-L475 PolarHBondContact O-N 3.38Å; L472-L475 PolarHBondContact O-N 2.83Å; Q473-L475 VanDerWaalsContact C-N 3.32Å; Q473-L475 PolarHBondContact O-N 2.71Å; L475-T478 WeakPolarHBondContact O-CB 3.44Å; L475-T478 PolarHBondContact O-N 2.79Å; L475-L479 HydrophobicContact CD1-CD1 4.11Å; L475-L479 HydrophobicContact CD1-CG 4.13Å; L475-L479 HydrophobicContact CG-CD1 4.04Å; L475-L479 HydrophobicContact CG-CG 4.49Å; L475-L479 WeakPolarHBondContact O-CB 3.5Å; L475-L479 WeakPolarHBondContact O-CG 3.47Å; L475-L479 PolarHBondContact O-N 3.05Å
476	A	95.8	Very high	93.4	Very high	17 Å²	17	27.6 Å²	27.6	14%	0.14	17%	0.166	C	C	.	.	H	α-helix	trans	-65.6	-40.3	179.8	0	0	0	0	0	112.5	K417 I421 L472 Q473 L479 C480	K417-A476 HydrophobicContact CG-CB 4.12Å; I421-A476 HydrophobicContact CD1-CB 3.43Å; I421-A476 VanDerWaalsContact CD1-CB 3.43Å; I421-A476 HydrophobicContact CG1-CB 4.11Å; I421-A476 HydrophobicContact CG2-CB 4.47Å; L472-A476 WeakPolarHBondContact O-CB 3.36Å; L472-A476 PolarHBondContact O-N 2.89Å; Q473-A476 PolarHBondContact O-N 2.82Å; A476-L479 PolarHBondContact O-N 2.97Å; A476-C480 VanDerWaalsContact O-CB 3.31Å; A476-C480 WeakPolarHBondContact O-CB 3.47Å; A476-C480 PolarHBondContact O-N 3.39Å
477	I	97	Very high	93.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.9	-47.6	172.4	-65.5	166.4	0	0	0	109.6	L454 Q473 L479 C480 L481 P493 L497 A505 I509	L454-I477 HydrophobicContact CD1-CB 4.39Å; L454-I477 HydrophobicContact CD1-CG2 4.01Å; Q473-I477 HydrophobicContact CG-CD1 4.23Å; Q473-I477 WeakPolarHBondContact O-CG1 3.5Å; Q473-I477 PolarHBondContact O-N 3.13Å; I477-L479 PolarHBondContact O-N 2.83Å; I477-C480 PolarHBondContact O-N 2.87Å; I477-L481 HydrophobicContact CG2-CD1 3.95Å; I477-L481 HydrophobicContact CG2-CG 4.29Å; I477-L481 WeakPolarHBondContact O-CG 3.36Å; I477-L481 PolarHBondContact O-N 3.39Å; I477-P493 HydrophobicContact CD1-CB 3.98Å; I477-P493 HydrophobicContact CG1-CB 4.36Å; I477-L497 HydrophobicContact CD1-CD1 4.41Å; I477-A505 HydrophobicContact CD1-CB 4.19Å; I477-I509 HydrophobicContact CG2-CD1 4.32Å; I477-I509 HydrophobicContact CG2-CG1 4.14Å
478	T	96.8	Very high	94	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.3	-46.7	178.4	-58.8	0	0	0	0	112.1	L433 I437 F446 V450 L451 L454 M456 R474 L475 G482	L433-T478 HydrophobicContact CD2-CG2 3.86Å; I437-T478 HydrophobicContact CD1-CG2 4.28Å; F446-T478 HydrophobicContact CE1-CG2 4.23Å; F446-T478 HydrophobicContact CZ-CG2 4.29Å; V450-T478 HydrophobicContact CG1-CG2 4.21Å; L451-T478 HydrophobicContact CD2-CG2 3.5Å; L454-T478 WeakPolarHBondContact CD1-OG1 3.22Å; M456-T478 HydrophobicContact CG-CG2 4.37Å; M456-T478 WeakPolarHBondContact CG-OG1 3.38Å; R474-T478 WeakPolarHBondContact O-CB 3.37Å; R474-T478 PolarHBondContact O-N 2.68Å; R474-T478 PolarHBondContact O-OG1 3.09Å; L475-T478 WeakPolarHBondContact O-CB 3.44Å; L475-T478 PolarHBondContact O-N 2.79Å; T478-G482 PolarHBondContact O-N 3.41Å
479	L	95.8	Very high	94.4	Very high	37 Å²	37	19.3 Å²	19.3	19%	0.194	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-43.6	177.7	-74.3	169.6	0	0	0	111.4	L432 L433 K436 I437 L475 A476 I477 G482 Q483	L432-L479 HydrophobicContact CD2-CD1 4Å; L433-L479 HydrophobicContact CD2-CD2 3.87Å; L433-L479 HydrophobicContact CD2-CG 4.29Å; K436-L479 HydrophobicContact CB-CD2 3.84Å; K436-L479 HydrophobicContact CG-CD2 4.4Å; I437-L479 HydrophobicContact CG1-CD2 4.37Å; I437-L479 HydrophobicContact CG2-CD2 4.47Å; L475-L479 HydrophobicContact CD1-CD1 4.11Å; L475-L479 HydrophobicContact CD1-CG 4.13Å; L475-L479 HydrophobicContact CG-CD1 4.04Å; L475-L479 HydrophobicContact CG-CG 4.49Å; L475-L479 WeakPolarHBondContact O-CB 3.5Å; L475-L479 WeakPolarHBondContact O-CG 3.47Å; L475-L479 PolarHBondContact O-N 3.05Å; A476-L479 PolarHBondContact O-N 2.97Å; I477-L479 PolarHBondContact O-N 2.83Å; L479-G482 PolarHBondContact O-N 2.81Å; L479-Q483 WeakPolarHBondContact O-CG 3.26Å; L479-Q483 PolarHBondContact O-N 2.89Å
480	C	96.3	Very high	94.8	Very high	6 Å²	6	17.8 Å²	17.8	4%	0.041	10%	0.101	C	C	.	.	H	α-helix	trans	-61.6	-51	178.6	179	0	0	0	0	111.4	S415 K417 A476 I477 G482 Q483 Y488	S415-C480 WeakPolarHBondContact OG-CA 3.41Å; S415-C480 PolarHBondContact OG-O 2.98Å; S415-C480 PolarHBondContact OG-SG 3.46Å; K417-C480 HydrophobicContact CB-CB 3.81Å; A476-C480 VanDerWaalsContact O-CB 3.31Å; A476-C480 WeakPolarHBondContact O-CB 3.47Å; A476-C480 PolarHBondContact O-N 3.39Å; I477-C480 PolarHBondContact O-N 2.87Å; C480-G482 VanDerWaalsContact C-N 3.28Å; C480-G482 PolarHBondContact O-N 3.43Å; C480-Q483 PolarHBondContact O-N 3.29Å; C480-Y488 VanDerWaalsContact O-CE1 3.26Å; C480-Y488 WeakPolarHBondContact O-CE1 3.07Å
481	L	96.6	Very high	95.1	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-66.6	-30.8	178.9	-61.1	-178.5	0	0	0	112.4	F446 V450 I477 Q483 Y488 I490 V508 I509 F512	F446-L481 HydrophobicContact CE2-CB 4.31Å; V450-L481 HydrophobicContact CG1-CD1 4.28Å; V450-L481 HydrophobicContact CG2-CD1 4.27Å; I477-L481 HydrophobicContact CG2-CD1 3.95Å; I477-L481 HydrophobicContact CG2-CG 4.29Å; I477-L481 WeakPolarHBondContact O-CG 3.36Å; I477-L481 PolarHBondContact O-N 3.39Å; L481-Q483 VanDerWaalsContact C-N 3.35Å; L481-Y488 HydrophobicContact CD2-CD1 4.14Å; L481-I490 HydrophobicContact CD2-CD1 4.19Å; L481-V508 HydrophobicContact CD1-CG1 3.87Å; L481-I509 HydrophobicContact CD1-CG1 4.26Å; L481-F512 HydrophobicContact CB-CD1 4.09Å; L481-F512 HydrophobicContact CB-CE1 4.01Å; L481-F512 HydrophobicContact CB-CG 4.4Å; L481-F512 HydrophobicContact CB-CZ 4.27Å; L481-F512 HydrophobicContact CD1-CB 4.35Å; L481-F512 HydrophobicContact CD1-CD1 4.36Å; L481-F512 HydrophobicContact CD1-CG 4.32Å; L481-F512 HydrophobicContact CD2-CD1 3.69Å; L481-F512 HydrophobicContact CD2-CE1 4.04Å; L481-F512 HydrophobicContact CD2-CG 4.45Å; L481-F512 HydrophobicContact CG-CD1 4.25Å; L481-F512 WeakPolarHBondContact O-CZ 3.36Å
482	G	95.3	Very high	95.1	Very high	1 Å²	1	17 Å²	17	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-75.4	-18.4	179.6	0	0	0	0	0	114.8	S440 F446 T478 L479 C480	S440-G482 WeakPolarHBondContact CB-O 3.3Å; S440-G482 PolarHBondContact OG-O 2.9Å; F446-G482 VanDerWaalsContact CZ-CA 3.49Å; T478-G482 PolarHBondContact O-N 3.41Å; L479-G482 PolarHBondContact O-N 2.81Å; C480-G482 VanDerWaalsContact C-N 3.28Å; C480-G482 PolarHBondContact O-N 3.43Å
483	Q	94.2	Very high	95.2	Very high	65 Å²	65	16.2 Å²	16.2	30%	0.304	9%	0.091	S	C	.	.	S	Bend	trans	-75.7	130	171.5	-67.1	-62	-41.2	0	0	109.3	K436 I437 L479 C480 L481 A485 Y488	K436-Q483 PolarHBondContact O-NE2 3.03Å; I437-Q483 HydrophobicContact CG2-CG 4.22Å; L479-Q483 WeakPolarHBondContact O-CG 3.26Å; L479-Q483 PolarHBondContact O-N 2.89Å; C480-Q483 PolarHBondContact O-N 3.29Å; L481-Q483 VanDerWaalsContact C-N 3.35Å; Q483-A485 PolarHBondContact O-N 2.8Å; Q483-Y488 WeakPolarHBondContact O-CE1 3.41Å; Q483-Y488 PolarHBondContact O-OH 3.43Å
484	P	92.1	Very high	95.1	Very high	93 Å²	93	16.4 Å²	16.4	60%	0.604	9%	0.092	S	C	*	.			trans	-62.9	127.6	173.1	27.1	-32.7	0	0	0	108.8	H413	H413-P484 PolarHBondContact CE1-O 3.09Å; H413-P484 PolarHBondContact ND1-O 3.38Å
485	A	92.8	Very high	94.8	Very high	7 Å²	7	16.7 Å²	16.7	6%	0.058	10%	0.098	C	C	.	.			trans	-152.3	157.4	176.7	0	0	0	0	0	111.3	H413 Q483 Y488 K518	H413-A485 WeakPolarHBondContact O-CB 3.13Å; Q483-A485 PolarHBondContact O-N 2.8Å; A485-Y488 HydrophobicContact CB-CE1 4.15Å; A485-Y488 HydrophobicContact CB-CE2 4.17Å; A485-Y488 PolarHBondContact N-OH 3.21Å; A485-K518 WeakPolarHBondContact O-CD 3.36Å; A485-K518 VanDerWaalsContact O-CE 3.31Å; A485-K518 WeakPolarHBondContact O-CE 3.3Å
486	D	91.2	Very high	94.4	Very high	51 Å²	51	21.8 Å²	21.8	27%	0.273	12%	0.118	S	C	.	.	S	Bend	trans	-83.6	-37.2	170	-60.8	-46.6	0	0	0	110.9	H413 K518 T519	H413-D486 PolarHBondContact N-OD2 2.88Å; H413-D486 PolarHBondContact O-N 2.98Å; D486-K518 IonicContact OD1-NZ 3.05Å; D486-K518 PolarHBondContact OD1-NZ 2.98Å; D486-T519 PolarHBondContact O-N 3.01Å
487	V	93.6	Very high	94.2	Very high	5 Å²	5	21 Å²	21	3%	0.03	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.6	178.3	-174.9	0	0	0	0	110.7	F374 L412 H413 V414 S415 L489 T519 F521	F374-V487 HydrophobicContact CE2-CG2 3.87Å; F374-V487 HydrophobicContact CZ-CG2 4.14Å; L412-V487 HydrophobicContact CB-CG2 4.39Å; L412-V487 HydrophobicContact CD1-CG2 3.8Å; H413-V487 PolarHBondContact O-N 3.09Å; V414-V487 VanDerWaalsContact CA-O 3.31Å; V414-V487 WeakPolarHBondContact CA-O 3.49Å; V414-V487 HydrophobicContact CG1-CB 4.39Å; S415-V487 PolarHBondContact N-O 3.31Å; V487-L489 HydrophobicContact CG1-CD2 3.73Å; V487-L489 HydrophobicContact CG1-CG 4.32Å; V487-T519 WeakPolarHBondContact CA-O 3.31Å; V487-F521 HydrophobicContact CG1-CD2 3.66Å; V487-F521 HydrophobicContact CG1-CE2 4Å
488	Y	96.9	Very high	93.9	Very high	8 Å²	8	21.3 Å²	21.3	3%	0.031	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.1	174	-68	-92.1	0	0	0	110.1	C480 L481 Q483 A485 F512 I513 K518 T519 A520 F521	C480-Y488 VanDerWaalsContact O-CE1 3.26Å; C480-Y488 WeakPolarHBondContact O-CE1 3.07Å; L481-Y488 HydrophobicContact CD2-CD1 4.14Å; Q483-Y488 WeakPolarHBondContact O-CE1 3.41Å; Q483-Y488 PolarHBondContact O-OH 3.43Å; A485-Y488 HydrophobicContact CB-CE1 4.15Å; A485-Y488 HydrophobicContact CB-CE2 4.17Å; A485-Y488 PolarHBondContact N-OH 3.21Å; Y488-F512 HydrophobicContact CE1-CE1 4.09Å; Y488-F512 HydrophobicContact CE2-CE1 4.08Å; Y488-F512 AromaticContact CZ-CE1 3.71Å; Y488-I513 HydrophobicContact CD2-CD1 3.41Å; Y488-I513 VanDerWaalsContact CD2-CD1 3.41Å; Y488-I513 HydrophobicContact CE2-CD1 4.09Å; Y488-I513 HydrophobicContact CG-CD1 3.77Å; Y488-K518 HydrophobicContact CD2-CB 4.11Å; Y488-K518 HydrophobicContact CE2-CB 3.87Å; Y488-K518 HydrophobicContact CE2-CG 4.05Å; Y488-T519 PolarHBondContact N-O 2.79Å; Y488-A520 CarbonylContact O-C 3.5Å; Y488-A520 WeakPolarHBondContact O-CA 3.19Å; Y488-F521 PolarHBondContact O-N 3.2Å
489	L	96.6	Very high	93.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.9	179.7	-56.2	175.3	0	0	0	108.1	I394 L397 A398 V414 S415 Y416 K417 V487 F521	I394-L489 HydrophobicContact CG2-CB 3.9Å; I394-L489 HydrophobicContact CG2-CD1 4.14Å; I394-L489 HydrophobicContact CG2-CG 4.5Å; L397-L489 HydrophobicContact CB-CD1 4.21Å; L397-L489 HydrophobicContact CB-CD2 4.23Å; L397-L489 HydrophobicContact CD1-CD2 4.27Å; A398-L489 HydrophobicContact CB-CD1 3.59Å; V414-L489 HydrophobicContact CB-CD1 4.18Å; V414-L489 HydrophobicContact CG1-CD1 4.37Å; S415-L489 PolarHBondContact O-N 3.31Å; Y416-L489 CarbonylContact C-O 3.58Å; Y416-L489 WeakPolarHBondContact CA-O 3.44Å; Y416-L489 HydrophobicContact CD2-CB 3.89Å; Y416-L489 WeakPolarHBondContact CD2-O 3.41Å; K417-L489 PolarHBondContact N-O 2.89Å; V487-L489 HydrophobicContact CG1-CD2 3.73Å; V487-L489 HydrophobicContact CG1-CG 4.32Å; L489-F521 WeakPolarHBondContact CA-O 3.39Å; L489-F521 HydrophobicContact CD2-CB 3.76Å; L489-F521 HydrophobicContact CD2-CD2 3.95Å; L489-F521 HydrophobicContact CD2-CG 4.16Å
490	I	97	Very high	93.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	105	-172.6	-49.8	178.9	0	0	0	109.6	K417 L481 P493 I509 F521 I522 V523	K417-I490 HydrophobicContact CB-CG2 4.12Å; K417-I490 HydrophobicContact CD-CG2 4.12Å; K417-I490 HydrophobicContact CG-CG2 4.39Å; L481-I490 HydrophobicContact CD2-CD1 4.19Å; I490-P493 HydrophobicContact CG2-CB 3.66Å; I490-P493 HydrophobicContact CG2-CG 3.6Å; I490-I509 HydrophobicContact CD1-CD1 4.2Å; I490-I509 HydrophobicContact CD1-CG1 4.27Å; I490-I509 HydrophobicContact CD1-CG2 3.95Å; I490-F521 PolarHBondContact N-O 2.84Å; I490-I522 HydrophobicContact CB-CG1 4.24Å; I490-I522 HydrophobicContact CB-CG2 4.41Å; I490-I522 HydrophobicContact CD1-CD1 4.46Å; I490-I522 HydrophobicContact CD1-CG1 4.47Å; I490-I522 CarbonylContact O-C 3.54Å; I490-I522 VanDerWaalsContact O-CA 3.29Å; I490-I522 WeakPolarHBondContact O-CA 3.21Å; I490-V523 PolarHBondContact O-N 3.2Å
491	D	95.6	Very high	93	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	114.2	-179.2	-156	-8.5	0	0	0	110.6	T391 I394 Y416 K417 Q419 V523	T391-D491 WeakPolarHBondContact CB-OD2 3.24Å; T391-D491 VanDerWaalsContact CG2-OD2 3.28Å; T391-D491 WeakPolarHBondContact CG2-OD2 3.24Å; T391-D491 PolarHBondContact OG1-OD2 3.46Å; I394-D491 HydrophobicContact CD1-CB 3.92Å; Y416-D491 HydrophobicContact CE2-CB 4.26Å; K417-D491 WeakPolarHBondContact CD-O 3.42Å; K417-D491 PolarHBondContact NZ-O 3.07Å; K417-D491 WeakPolarHBondContact O-CB 3.47Å; K417-D491 PolarHBondContact O-N 3.45Å; Q419-D491 HydrophobicContact CB-CB 4.21Å; D491-V523 VanDerWaalsContact OD1-CB 3.3Å; D491-V523 WeakPolarHBondContact OD1-CB 3.47Å
492	E	93.9	Very high	92.8	Very high	28 Å²	28	23.3 Å²	23.3	13%	0.131	12%	0.12	C	C	.	.			trans	49.5	66	178.9	-64.4	176.1	-170.8	0	0	114.2	K417 Q419 Q473 S494 A495 V523 H525	K417-E492 PolarHBondContact NZ-O 2.79Å; Q419-E492 HydrophobicContact CG-CB 4.47Å; Q419-E492 HydrophobicContact CG-CG 4.43Å; Q419-E492 WeakPolarHBondContact CG-OE2 3.48Å; Q419-E492 PolarHBondContact NE2-OE1 2.85Å; Q419-E492 PolarHBondContact NE2-OE2 3.2Å; Q473-E492 PolarHBondContact NE2-O 2.81Å; E492-S494 VanDerWaalsContact C-N 3.29Å; E492-S494 PolarHBondContact O-N 2.77Å; E492-A495 HydrophobicContact CB-CB 4.45Å; E492-A495 PolarHBondContact O-N 2.92Å; E492-V523 VanDerWaalsContact CA-O 3.23Å; E492-V523 WeakPolarHBondContact CA-O 3.46Å; E492-V523 HydrophobicContact CG-CG1 3.95Å; E492-V523 PolarHBondContact N-O 3.42Å; E492-H525 IonicContact OE1-CD2 2.9Å; E492-H525 PolarHBondContact OE1-CD2 2.9Å; E492-H525 IonicContact OE1-NE2 2.69Å; E492-H525 PolarHBondContact OE1-NE2 2.83Å
493	P	95.2	Very high	92.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.6	177.1	19	-23.3	0	0	0	114.2	Q473 I477 I490 A495 L497 I509 I522 V523 E524 M529	Q473-P493 WeakPolarHBondContact CG-O 3.28Å; Q473-P493 PolarHBondContact NE2-O 2.81Å; I477-P493 HydrophobicContact CD1-CB 3.98Å; I477-P493 HydrophobicContact CG1-CB 4.36Å; I490-P493 HydrophobicContact CG2-CB 3.66Å; I490-P493 HydrophobicContact CG2-CG 3.6Å; P493-A495 VanDerWaalsContact C-N 3.31Å; P493-A495 PolarHBondContact O-N 3.2Å; P493-L497 VanDerWaalsContact O-CD1 3.22Å; P493-L497 WeakPolarHBondContact O-CD1 3.26Å; P493-I509 HydrophobicContact CB-CD1 3.95Å; P493-I509 HydrophobicContact CG-CD1 4.2Å; P493-I522 HydrophobicContact CG-CG2 3.66Å; P493-V523 VanDerWaalsContact CD-O 3.29Å; P493-V523 WeakPolarHBondContact CD-O 3.3Å; P493-E524 WeakPolarHBondContact CD-OE1 3.48Å; P493-E524 HydrophobicContact CG-CG 4.23Å; P493-E524 WeakPolarHBondContact CG-OE1 3.16Å; P493-M529 HydrophobicContact CB-CE 3.79Å; P493-M529 HydrophobicContact CG-CE 3.69Å
494	S	92.7	Very high	92.4	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.028	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.9	178.8	62.7	0	0	0	0	115.2	E492 Y496 L497 E524	E492-S494 VanDerWaalsContact C-N 3.29Å; E492-S494 PolarHBondContact O-N 2.77Å; S494-Y496 PolarHBondContact O-N 3.38Å; S494-L497 WeakPolarHBondContact O-CB 3.36Å; S494-L497 PolarHBondContact O-N 3.34Å; S494-E524 WeakPolarHBondContact CB-OE1 3.18Å; S494-E524 WeakPolarHBondContact CB-OE2 3.39Å; S494-E524 PolarHBondContact N-OE1 2.85Å; S494-E524 VanDerWaalsContact OG-CD 3.27Å; S494-E524 PolarHBondContact OG-OE1 2.79Å; S494-E524 VanDerWaalsContact OG-OE1 3.09Å; S494-E524 PolarHBondContact OG-OE2 2.96Å
495	A	89.1	Confident	92.5	Very high	22 Å²	22	17.8 Å²	17.8	18%	0.182	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	136.2	-177.3	0	0	0	0	0	112.1	Q473 E492 P493 L497	Q473-A495 VanDerWaalsContact CG-O 3.26Å; Q473-A495 WeakPolarHBondContact CG-O 3.14Å; E492-A495 HydrophobicContact CB-CB 4.45Å; E492-A495 PolarHBondContact O-N 2.92Å; P493-A495 VanDerWaalsContact C-N 3.31Å; P493-A495 PolarHBondContact O-N 3.2Å; A495-L497 PolarHBondContact O-N 3.49Å
496	Y	87.9	Confident	92.5	Very high	113 Å²	113	17.5 Å²	17.5	44%	0.443	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	-3.4	-178.1	-49.7	-76	0	0	0	116.6	Y251 S494	Y251-Y496 HydrophobicContact CE1-CE1 4.26Å; Y251-Y496 WeakPolarHBondContact CE1-OH 3.39Å; Y251-Y496 PolarHBondContact OH-OH 2.84Å; S494-Y496 PolarHBondContact O-N 3.38Å
497	L	92	Very high	92.4	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	8%	0.083	C	C	.	.			trans	-82.8	138.9	177.3	-59.8	-173.9	0	0	0	110.5	Q473 R474 I477 P493 S494 A495 Q501 R502 A505	Q473-L497 HydrophobicContact CB-CD2 3.91Å; Q473-L497 HydrophobicContact CB-CG 4.48Å; Q473-L497 HydrophobicContact CG-CD1 4.37Å; Q473-L497 HydrophobicContact CG-CD2 3.91Å; Q473-L497 HydrophobicContact CG-CG 3.98Å; R474-L497 HydrophobicContact CG-CD2 3.94Å; I477-L497 HydrophobicContact CD1-CD1 4.41Å; P493-L497 VanDerWaalsContact O-CD1 3.22Å; P493-L497 WeakPolarHBondContact O-CD1 3.26Å; S494-L497 WeakPolarHBondContact O-CB 3.36Å; S494-L497 PolarHBondContact O-N 3.34Å; A495-L497 PolarHBondContact O-N 3.49Å; L497-Q501 HydrophobicContact CB-CB 3.9Å; L497-Q501 HydrophobicContact CD1-CB 4.49Å; L497-Q501 HydrophobicContact CD2-CB 4.13Å; L497-Q501 HydrophobicContact CG-CB 4.39Å; L497-R502 HydrophobicContact CB-CG 3.69Å; L497-R502 PolarHBondContact O-NE 2.83Å; L497-A505 HydrophobicContact CD1-CB 3.77Å
498	D	90.9	Very high	92.5	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.027	8%	0.082	C	C	.	.			trans	-71.1	170.4	167.7	65.7	40.1	0	0	0	112.3	N117 H279 E500 Q501 R502	N117-D498 PolarHBondContact N-OD2 3.4Å; H279-D498 WeakPolarHBondContact CE1-CB 3.22Å; D498-E500 VanDerWaalsContact C-N 3.25Å; D498-E500 PolarHBondContact O-N 3.26Å; D498-E500 PolarHBondContact OD1-N 2.98Å; D498-Q501 PolarHBondContact O-N 3.48Å; D498-Q501 WeakPolarHBondContact OD1-CB 3.3Å; D498-Q501 VanDerWaalsContact OD1-CG 3.23Å; D498-Q501 WeakPolarHBondContact OD1-CG 3.31Å; D498-Q501 PolarHBondContact OD1-N 2.84Å; D498-R502 WeakPolarHBondContact O-CG 3.3Å; D498-R502 PolarHBondContact O-N 2.84Å
499	S	88.6	Confident	92.4	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-57.3	-34.9	-175	43.6	0	0	0	0	113.2	H279 F317 L503	H279-S499 PolarHBondContact ND1-N 2.84Å; H279-S499 WeakPolarHBondContact O-CB 3.15Å; F317-S499 WeakPolarHBondContact CE1-OG 3.48Å; F317-S499 WeakPolarHBondContact CZ-OG 3.48Å; S499-L503 WeakPolarHBondContact O-CD1 3.48Å; S499-L503 WeakPolarHBondContact O-CG 3.48Å
500	E	89.3	Confident	92.2	Very high	33 Å²	33	18 Å²	18	15%	0.154	8%	0.084	C	C	.	.	H	α-helix	trans	-78.3	-43.1	176.7	178.4	165.3	164.5	0	0	111.9	T116 R330 L334 D498 R502 L503 H504	T116-E500 HydrophobicContact CG2-CB 4.03Å; R330-E500 WeakPolarHBondContact CD-OE1 3.39Å; R330-E500 IonicContact CZ-OE2 3.63Å; R330-E500 IonicContact NH1-OE2 2.81Å; R330-E500 PolarHBondContact NH1-OE2 2.91Å; L334-E500 HydrophobicContact CD1-CG 4.46Å; D498-E500 VanDerWaalsContact C-N 3.25Å; D498-E500 PolarHBondContact O-N 3.26Å; D498-E500 PolarHBondContact OD1-N 2.98Å; E500-R502 VanDerWaalsContact C-N 3.33Å; E500-R502 PolarHBondContact O-N 3.23Å; E500-L503 PolarHBondContact O-N 3.36Å; E500-L503 VanDerWaalsContact O-N 3.13Å; E500-H504 VanDerWaalsContact CG-CD2 3.48Å; E500-H504 WeakPolarHBondContact CG-CD2 3.31Å; E500-H504 VanDerWaalsContact CG-NE2 3.3Å; E500-H504 WeakPolarHBondContact CG-NE2 3.5Å; E500-H504 PolarHBondContact O-CD2 3.28Å; E500-H504 PolarHBondContact O-N 3.25Å; E500-H504 IonicContact OE1-CD2 3.64Å; E500-H504 IonicContact OE1-CE1 2.71Å; E500-H504 IonicContact OE1-NE2 3.59Å; E500-H504 PolarHBondContact OE1-NE2 3.38Å
501	Q	91.9	Very high	91.9	Very high	34 Å²	34	23.6 Å²	23.6	16%	0.159	11%	0.105	C	C	.	.	H	α-helix	trans	-62.2	-38	178.1	-73.1	172.6	-3.5	0	0	112.5	L497 D498 L503 H504 A505	L497-Q501 HydrophobicContact CB-CB 3.9Å; L497-Q501 HydrophobicContact CD1-CB 4.49Å; L497-Q501 HydrophobicContact CD2-CB 4.13Å; L497-Q501 HydrophobicContact CG-CB 4.39Å; D498-Q501 PolarHBondContact O-N 3.48Å; D498-Q501 WeakPolarHBondContact OD1-CB 3.3Å; D498-Q501 VanDerWaalsContact OD1-CG 3.23Å; D498-Q501 WeakPolarHBondContact OD1-CG 3.31Å; D498-Q501 PolarHBondContact OD1-N 2.84Å; Q501-L503 PolarHBondContact O-N 3.48Å; Q501-H504 PolarHBondContact O-N 3.25Å; Q501-A505 VanDerWaalsContact O-CB 3.27Å; Q501-A505 WeakPolarHBondContact O-CB 3.3Å; Q501-A505 PolarHBondContact O-N 2.8Å
502	R	92.4	Very high	91.8	Very high	16 Å²	16	24.8 Å²	24.8	6%	0.06	11%	0.11	C	C	.	.	H	α-helix	trans	-55.7	-41.9	173.6	-73.6	179.5	-169.1	-169.2	4.3	111.3	L497 D498 E500 A505 A506 D526	L497-R502 HydrophobicContact CB-CG 3.69Å; L497-R502 PolarHBondContact O-NE 2.83Å; D498-R502 WeakPolarHBondContact O-CG 3.3Å; D498-R502 PolarHBondContact O-N 2.84Å; E500-R502 VanDerWaalsContact C-N 3.33Å; E500-R502 PolarHBondContact O-N 3.23Å; R502-A505 PolarHBondContact O-N 2.98Å; R502-A506 WeakPolarHBondContact O-CB 3.31Å; R502-A506 PolarHBondContact O-N 3.36Å; R502-D526 IonicContact CZ-OD2 2.81Å; R502-D526 IonicContact NH1-OD2 3.38Å; R502-D526 PolarHBondContact NH1-OD2 3.22Å
503	L	89	Confident	91.7	Very high	9 Å²	9	23.5 Å²	23.5	5%	0.047	10%	0.104	C	C	.	.	H	α-helix	trans	-74.7	-40.1	-177.2	-64.4	172.3	0	0	0	113	L318 L334 F336 S499 E500 Q501 A506 K507 I528	L318-L503 HydrophobicContact CD2-CD1 3.88Å; L334-L503 HydrophobicContact CB-CD1 4.08Å; L334-L503 HydrophobicContact CD1-CD1 3.62Å; L334-L503 HydrophobicContact CD2-CB 4.06Å; L334-L503 HydrophobicContact CD2-CD1 4.27Å; L334-L503 HydrophobicContact CG-CD1 4.2Å; F336-L503 HydrophobicContact CD1-CD2 4.39Å; F336-L503 HydrophobicContact CE1-CD1 4.45Å; F336-L503 HydrophobicContact CE1-CD2 3.14Å; F336-L503 HydrophobicContact CE1-CG 4.4Å; F336-L503 HydrophobicContact CZ-CD1 3.79Å; F336-L503 HydrophobicContact CZ-CD2 3.29Å; F336-L503 HydrophobicContact CZ-CG 4.19Å; S499-L503 WeakPolarHBondContact O-CD1 3.48Å; S499-L503 WeakPolarHBondContact O-CG 3.48Å; E500-L503 PolarHBondContact O-N 3.36Å; E500-L503 VanDerWaalsContact O-N 3.13Å; Q501-L503 PolarHBondContact O-N 3.48Å; L503-A506 PolarHBondContact O-N 3.02Å; L503-K507 WeakPolarHBondContact O-CB 3.47Å; L503-K507 VanDerWaalsContact O-CG 3.31Å; L503-K507 WeakPolarHBondContact O-CG 3.3Å; L503-K507 PolarHBondContact O-N 2.84Å; L503-I528 HydrophobicContact CD2-CG2 3.79Å
504	H	91.1	Very high	91.4	Very high	35 Å²	35	26.6 Å²	26.6	16%	0.162	12%	0.12	C	C	.	.	H	α-helix	trans	-62.9	-44	170.9	-68.3	-55.4	0	0	0	111	E500 Q501 A506 K507 V508	E500-H504 VanDerWaalsContact CG-CD2 3.48Å; E500-H504 WeakPolarHBondContact CG-CD2 3.31Å; E500-H504 VanDerWaalsContact CG-NE2 3.3Å; E500-H504 WeakPolarHBondContact CG-NE2 3.5Å; E500-H504 PolarHBondContact O-CD2 3.28Å; E500-H504 PolarHBondContact O-N 3.25Å; E500-H504 IonicContact OE1-CD2 3.64Å; E500-H504 IonicContact OE1-CE1 2.71Å; E500-H504 IonicContact OE1-NE2 3.59Å; E500-H504 PolarHBondContact OE1-NE2 3.38Å; Q501-H504 PolarHBondContact O-N 3.25Å; H504-A506 PolarHBondContact O-N 3.47Å; H504-K507 PolarHBondContact O-N 2.87Å; H504-V508 WeakPolarHBondContact O-CB 3.23Å; H504-V508 WeakPolarHBondContact O-CG2 3.36Å; H504-V508 PolarHBondContact O-N 3.29Å
505	A	94.2	Very high	91.2	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.4	-45.8	176.5	0	0	0	0	0	111.9	L454 I477 L497 Q501 R502 K507 V508 I509 M529	L454-A505 HydrophobicContact CD2-CB 4.31Å; I477-A505 HydrophobicContact CD1-CB 4.19Å; L497-A505 HydrophobicContact CD1-CB 3.77Å; Q501-A505 VanDerWaalsContact O-CB 3.27Å; Q501-A505 WeakPolarHBondContact O-CB 3.3Å; Q501-A505 PolarHBondContact O-N 2.8Å; R502-A505 PolarHBondContact O-N 2.98Å; A505-K507 PolarHBondContact O-N 3.28Å; A505-V508 PolarHBondContact O-N 2.98Å; A505-I509 WeakPolarHBondContact O-CB 3.46Å; A505-I509 VanDerWaalsContact O-CG1 3.25Å; A505-I509 WeakPolarHBondContact O-CG1 3.49Å; A505-I509 PolarHBondContact O-N 2.82Å; A505-M529 HydrophobicContact CB-CE 4.19Å
506	A	92.7	Very high	91.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-45.9	176.3	0	0	0	0	0	111.8	R502 L503 H504 K510 M529 Y532 L533	R502-A506 WeakPolarHBondContact O-CB 3.31Å; R502-A506 PolarHBondContact O-N 3.36Å; L503-A506 PolarHBondContact O-N 3.02Å; H504-A506 PolarHBondContact O-N 3.47Å; A506-K510 WeakPolarHBondContact O-CB 3.49Å; A506-K510 PolarHBondContact O-N 2.75Å; A506-M529 HydrophobicContact CB-CE 4.14Å; A506-M529 HydrophobicContact CB-CG 3.84Å; A506-M529 HydrophobicContact CB-SD 4.28Å; A506-Y532 HydrophobicContact CB-CD1 3.66Å; A506-Y532 HydrophobicContact CB-CE1 4.19Å; A506-Y532 HydrophobicContact CB-CG 4.42Å; A506-Y532 WeakPolarHBondContact O-CE1 3.4Å; A506-L533 HydrophobicContact CB-CD2 4.48Å; A506-L533 HydrophobicContact CB-CG 4.33Å; A506-L533 WeakPolarHBondContact O-CD2 3.16Å
507	K	90.8	Very high	91.4	Very high	56 Å²	56	32.9 Å²	32.9	24%	0.243	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-46.1	176.1	-77.1	174.2	178.5	-177.1	0	112.5	L503 H504 A505 R511 Y532	L503-K507 WeakPolarHBondContact O-CB 3.47Å; L503-K507 VanDerWaalsContact O-CG 3.31Å; L503-K507 WeakPolarHBondContact O-CG 3.3Å; L503-K507 PolarHBondContact O-N 2.84Å; H504-K507 PolarHBondContact O-N 2.87Å; A505-K507 PolarHBondContact O-N 3.28Å; K507-R511 WeakPolarHBondContact O-CB 3.36Å; K507-R511 PolarHBondContact O-N 2.83Å; K507-Y532 HydrophobicContact CG-CE1 4.07Å; K507-Y532 WeakPolarHBondContact CG-OH 3.48Å
508	V	93.8	Very high	91.4	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.024	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-51.3	179.9	167.9	0	0	0	0	110.7	V450 P453 L454 L481 H504 A505 K510 R511 F512	V450-V508 HydrophobicContact CB-CG1 4.19Å; V450-V508 HydrophobicContact CG1-CG1 4.05Å; V450-V508 HydrophobicContact CG2-CG1 4.01Å; P453-V508 HydrophobicContact CB-CG2 3.51Å; P453-V508 HydrophobicContact CG-CG2 4.15Å; L454-V508 HydrophobicContact CD1-CG1 4.14Å; L454-V508 HydrophobicContact CD2-CB 4.48Å; L454-V508 HydrophobicContact CD2-CG2 4.19Å; L454-V508 HydrophobicContact CG-CG1 4.22Å; L454-V508 HydrophobicContact CG-CG2 4.13Å; L481-V508 HydrophobicContact CD1-CG1 3.87Å; H504-V508 WeakPolarHBondContact O-CB 3.23Å; H504-V508 WeakPolarHBondContact O-CG2 3.36Å; H504-V508 PolarHBondContact O-N 3.29Å; A505-V508 PolarHBondContact O-N 2.98Å; V508-K510 PolarHBondContact O-N 3.35Å; V508-R511 PolarHBondContact O-N 2.8Å; V508-F512 WeakPolarHBondContact O-CB 3.4Å; V508-F512 PolarHBondContact O-N 3.19Å
509	I	95	Very high	91.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-50.1	-179.8	-66	164.7	0	0	0	109.6	I477 L481 I490 P493 A505 R511 F512 I513 I522 M529 L533	I477-I509 HydrophobicContact CG2-CD1 4.32Å; I477-I509 HydrophobicContact CG2-CG1 4.14Å; L481-I509 HydrophobicContact CD1-CG1 4.26Å; I490-I509 HydrophobicContact CD1-CD1 4.2Å; I490-I509 HydrophobicContact CD1-CG1 4.27Å; I490-I509 HydrophobicContact CD1-CG2 3.95Å; P493-I509 HydrophobicContact CB-CD1 3.95Å; P493-I509 HydrophobicContact CG-CD1 4.2Å; A505-I509 WeakPolarHBondContact O-CB 3.46Å; A505-I509 VanDerWaalsContact O-CG1 3.25Å; A505-I509 WeakPolarHBondContact O-CG1 3.49Å; A505-I509 PolarHBondContact O-N 2.82Å; I509-R511 PolarHBondContact O-N 3.3Å; I509-F512 PolarHBondContact O-N 3.04Å; I509-I513 HydrophobicContact CG2-CG1 4.28Å; I509-I513 WeakPolarHBondContact O-CB 3.38Å; I509-I513 VanDerWaalsContact O-CG1 3.24Å; I509-I513 WeakPolarHBondContact O-CG1 3.24Å; I509-I513 PolarHBondContact O-N 3.28Å; I509-I522 HydrophobicContact CG2-CD1 3.63Å; I509-M529 HydrophobicContact CD1-CE 4.01Å; I509-L533 HydrophobicContact CB-CD2 3.98Å; I509-L533 HydrophobicContact CG2-CD2 3.91Å
510	K	92.4	Very high	91.8	Very high	14 Å²	14	35.6 Å²	35.6	6%	0.061	17%	0.165	C	C	.	.	H	α-helix	trans	-58.3	-52.8	-179.8	-170.8	164.9	-170.3	167.8	0	112.5	S339 I379 A506 V508 F512 I513 L514 Y532 L533	S339-K510 PolarHBondContact OG-NZ 3.33Å; I379-K510 HydrophobicContact CD1-CB 4.25Å; I379-K510 HydrophobicContact CD1-CG 4.17Å; A506-K510 WeakPolarHBondContact O-CB 3.49Å; A506-K510 PolarHBondContact O-N 2.75Å; V508-K510 PolarHBondContact O-N 3.35Å; K510-F512 PolarHBondContact O-N 2.78Å; K510-I513 PolarHBondContact O-N 3.29Å; K510-L514 HydrophobicContact CG-CD1 3.82Å; K510-L514 HydrophobicContact CG-CG 4.49Å; K510-L514 WeakPolarHBondContact O-CB 3.31Å; K510-L514 VanDerWaalsContact O-CG 3.23Å; K510-L514 WeakPolarHBondContact O-CG 3.28Å; K510-L514 PolarHBondContact O-N 3.14Å; K510-Y532 HydrophobicContact CB-CE1 3.88Å; K510-Y532 HydrophobicContact CD-CD1 4.1Å; K510-Y532 HydrophobicContact CD-CE1 3.64Å; K510-Y532 VanDerWaalsContact CD-O 3.31Å; K510-Y532 WeakPolarHBondContact CD-O 3.26Å; K510-Y532 HydrophobicContact CG-CE1 4.38Å; K510-Y532 PolarHBondContact NZ-O 3Å; K510-L533 HydrophobicContact CB-CD2 4.13Å
511	R	91	Very high	92.2	Very high	117 Å²	117	34 Å²	34	44%	0.442	16%	0.158	S	C	.	.	H	α-helix	trans	-60.8	-45.3	-179	179.8	177.6	168	160.2	-1	111.6	D449 K507 V508 I509 H515	D449-R511 IonicContact OD1-CZ 2.68Å; D449-R511 IonicContact OD1-NE 2.79Å; D449-R511 PolarHBondContact OD1-NE 3.09Å; D449-R511 IonicContact OD1-NH2 2.88Å; D449-R511 PolarHBondContact OD1-NH2 3.45Å; D449-R511 IonicContact OD2-NE 3.75Å; K507-R511 WeakPolarHBondContact O-CB 3.36Å; K507-R511 PolarHBondContact O-N 2.83Å; V508-R511 PolarHBondContact O-N 2.8Å; I509-R511 PolarHBondContact O-N 3.3Å; R511-H515 PolarHBondContact NE-CE1 3.44Å; R511-H515 WeakPolarHBondContact O-CB 3.38Å; R511-H515 PolarHBondContact O-CD2 3.34Å; R511-H515 PolarHBondContact O-N 3Å
512	F	93.3	Very high	92.4	Very high	26 Å²	26	32.4 Å²	32.4	11%	0.114	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-48.6	-179.8	177.6	-92.1	0	0	0	111.8	F446 V450 L481 Y488 V508 I509 K510 L514 H515 A516	F446-F512 HydrophobicContact CD2-CD2 4.38Å; F446-F512 AromaticContact CD2-CE2 3.87Å; F446-F512 HydrophobicContact CD2-CE2 3.87Å; F446-F512 HydrophobicContact CE2-CD2 4.47Å; F446-F512 AromaticContact CE2-CE2 3.97Å; F446-F512 HydrophobicContact CE2-CE2 3.97Å; V450-F512 HydrophobicContact CG2-CB 4.44Å; V450-F512 HydrophobicContact CG2-CD2 3.82Å; V450-F512 HydrophobicContact CG2-CG 4.34Å; L481-F512 HydrophobicContact CB-CD1 4.09Å; L481-F512 HydrophobicContact CB-CE1 4.01Å; L481-F512 HydrophobicContact CB-CG 4.4Å; L481-F512 HydrophobicContact CB-CZ 4.27Å; L481-F512 HydrophobicContact CD1-CB 4.35Å; L481-F512 HydrophobicContact CD1-CD1 4.36Å; L481-F512 HydrophobicContact CD1-CG 4.32Å; L481-F512 HydrophobicContact CD2-CD1 3.69Å; L481-F512 HydrophobicContact CD2-CE1 4.04Å; L481-F512 HydrophobicContact CD2-CG 4.45Å; L481-F512 HydrophobicContact CG-CD1 4.25Å; L481-F512 WeakPolarHBondContact O-CZ 3.36Å; Y488-F512 HydrophobicContact CE1-CE1 4.09Å; Y488-F512 HydrophobicContact CE2-CE1 4.08Å; Y488-F512 AromaticContact CZ-CE1 3.71Å; V508-F512 WeakPolarHBondContact O-CB 3.4Å; V508-F512 PolarHBondContact O-N 3.19Å; I509-F512 PolarHBondContact O-N 3.04Å; K510-F512 PolarHBondContact O-N 2.78Å; F512-L514 PolarHBondContact O-N 3.41Å; F512-H515 PolarHBondContact O-N 2.69Å; F512-A516 HydrophobicContact CE1-CB 4.31Å; F512-A516 HydrophobicContact CZ-CB 4.42Å; F512-A516 WeakPolarHBondContact O-CB 3.42Å; F512-A516 PolarHBondContact O-N 2.94Å
513	I	92.2	Very high	92.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-42.1	-178.7	-65.7	-63.1	0	0	0	111.5	I379 Y488 I509 K510 K517 K518 A520	I379-I513 HydrophobicContact CD1-CB 4.17Å; I379-I513 HydrophobicContact CD1-CG2 4.27Å; I379-I513 HydrophobicContact CG1-CB 4.24Å; I379-I513 HydrophobicContact CG1-CG2 3.8Å; Y488-I513 HydrophobicContact CD2-CD1 3.41Å; Y488-I513 VanDerWaalsContact CD2-CD1 3.41Å; Y488-I513 HydrophobicContact CE2-CD1 4.09Å; Y488-I513 HydrophobicContact CG-CD1 3.77Å; I509-I513 HydrophobicContact CG2-CG1 4.28Å; I509-I513 WeakPolarHBondContact O-CB 3.38Å; I509-I513 VanDerWaalsContact O-CG1 3.24Å; I509-I513 WeakPolarHBondContact O-CG1 3.24Å; I509-I513 PolarHBondContact O-N 3.28Å; K510-I513 PolarHBondContact O-N 3.29Å; I513-K517 PolarHBondContact O-N 3.39Å; I513-K518 WeakPolarHBondContact CG2-O 3.27Å; I513-K518 PolarHBondContact O-N 3.39Å; I513-A520 HydrophobicContact CD1-CB 3.85Å; I513-A520 HydrophobicContact CG1-CB 3.91Å; I513-A520 HydrophobicContact CG2-CB 4.37Å
514	L	88.9	Confident	92.9	Very high	65 Å²	65	31.2 Å²	31.2	34%	0.34	15%	0.145	S	C	.	.	H	α-helix	trans	-63.2	-45.7	175.4	-70.1	171.2	0	0	0	112.1	K510 F512 K517	K510-L514 HydrophobicContact CG-CD1 3.82Å; K510-L514 HydrophobicContact CG-CG 4.49Å; K510-L514 WeakPolarHBondContact O-CB 3.31Å; K510-L514 VanDerWaalsContact O-CG 3.23Å; K510-L514 WeakPolarHBondContact O-CG 3.28Å; K510-L514 PolarHBondContact O-N 3.14Å; F512-L514 PolarHBondContact O-N 3.41Å; L514-K517 PolarHBondContact O-N 3Å
515	H	89.4	Confident	92.9	Very high	98 Å²	98	29.8 Å²	29.8	45%	0.454	14%	0.139	S	C	.	.	H	α-helix	trans	-67.1	-39.6	178.7	-72.6	-176.9	0	0	0	112.6	D449 R511 F512 K517	D449-H515 IonicContact OD2-CE1 2.72Å; D449-H515 IonicContact OD2-ND1 3.94Å; D449-H515 PolarHBondContact OD2-ND1 3.38Å; R511-H515 PolarHBondContact NE-CE1 3.44Å; R511-H515 WeakPolarHBondContact O-CB 3.38Å; R511-H515 PolarHBondContact O-CD2 3.34Å; R511-H515 PolarHBondContact O-N 3Å; F512-H515 PolarHBondContact O-N 2.69Å; H515-K517 PolarHBondContact O-N 2.86Å
516	A	89.2	Confident	92.7	Very high	39 Å²	39	30 Å²	30	32%	0.322	14%	0.14	S	C	.	.	H	α-helix	trans	-74.5	-12.8	178.6	0	0	0	0	0	112.7	F512 K518	F512-A516 HydrophobicContact CE1-CB 4.31Å; F512-A516 HydrophobicContact CZ-CB 4.42Å; F512-A516 WeakPolarHBondContact O-CB 3.42Å; F512-A516 PolarHBondContact O-N 2.94Å; A516-K518 HydrophobicContact CB-CB 4.4Å; A516-K518 HydrophobicContact CB-CG 3.89Å; A516-K518 WeakPolarHBondContact O-CG 3.35Å; A516-K518 PolarHBondContact O-N 2.94Å
517	K	90.4	Very high	92.6	Very high	135 Å²	135	30.3 Å²	30.3	59%	0.587	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	40.4	-174	-61.7	-179	177.7	-176.7	0	112.8	S377 I513 L514 H515	S377-K517 WeakPolarHBondContact OG-CA 3.43Å; S377-K517 VanDerWaalsContact OG-CB 3.28Å; S377-K517 WeakPolarHBondContact OG-CB 3.26Å; I513-K517 PolarHBondContact O-N 3.39Å; L514-K517 PolarHBondContact O-N 3Å; H515-K517 PolarHBondContact O-N 2.86Å
518	K	91.9	Very high	92.4	Very high	63 Å²	63	27.8 Å²	27.8	27%	0.274	13%	0.13	S	C	.	.			trans	-110.8	175.4	-177.8	-62.8	-52.8	-165.8	168.4	0	111.2	S377 E378 A485 D486 Y488 I513 A516	S377-K518 WeakPolarHBondContact CA-O 3.3Å; S377-K518 PolarHBondContact N-O 3.49Å; S377-K518 VanDerWaalsContact N-O 3.09Å; E378-K518 PolarHBondContact N-O 2.94Å; A485-K518 WeakPolarHBondContact O-CD 3.36Å; A485-K518 VanDerWaalsContact O-CE 3.31Å; A485-K518 WeakPolarHBondContact O-CE 3.3Å; D486-K518 IonicContact OD1-NZ 3.05Å; D486-K518 PolarHBondContact OD1-NZ 2.98Å; Y488-K518 HydrophobicContact CD2-CB 4.11Å; Y488-K518 HydrophobicContact CE2-CB 3.87Å; Y488-K518 HydrophobicContact CE2-CG 4.05Å; I513-K518 WeakPolarHBondContact CG2-O 3.27Å; I513-K518 PolarHBondContact O-N 3.39Å; A516-K518 HydrophobicContact CB-CB 4.4Å; A516-K518 HydrophobicContact CB-CG 3.89Å; A516-K518 WeakPolarHBondContact O-CG 3.35Å; A516-K518 PolarHBondContact O-N 2.94Å
519	T	93.4	Very high	92.3	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	145.1	176.9	-45.5	0	0	0	0	110	F374 T375 E378 D486 V487 Y488 F521	F374-T519 HydrophobicContact CB-CG2 4.38Å; F374-T519 HydrophobicContact CD2-CG2 3.68Å; F374-T519 HydrophobicContact CE2-CG2 4.3Å; F374-T519 HydrophobicContact CG-CG2 4.33Å; T375-T519 PolarHBondContact O-OG1 2.64Å; E378-T519 HydrophobicContact CG-CG2 3.98Å; E378-T519 CarbonylContact O-C 3.59Å; E378-T519 VanDerWaalsContact O-CA 3.3Å; E378-T519 WeakPolarHBondContact O-CA 3.27Å; E378-T519 WeakPolarHBondContact O-CG2 3.35Å; D486-T519 PolarHBondContact O-N 3.01Å; V487-T519 WeakPolarHBondContact CA-O 3.31Å; Y488-T519 PolarHBondContact N-O 2.79Å; T519-F521 HydrophobicContact CG2-CE2 4.26Å
520	A	95.9	Very high	92.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.5	169	0	0	0	0	0	112.6	E378 I379 I380 Y488 I513 I522	E378-A520 PolarHBondContact O-N 2.62Å; I379-A520 WeakPolarHBondContact CA-O 3.5Å; I379-A520 HydrophobicContact CG1-CB 4.34Å; I379-A520 HydrophobicContact CG2-CB 4.49Å; I380-A520 PolarHBondContact N-O 3.23Å; Y488-A520 CarbonylContact O-C 3.5Å; Y488-A520 WeakPolarHBondContact O-CA 3.19Å; I513-A520 HydrophobicContact CD1-CB 3.85Å; I513-A520 HydrophobicContact CG1-CB 3.91Å; I513-A520 HydrophobicContact CG2-CB 4.37Å; A520-I522 HydrophobicContact CB-CD1 4.3Å; A520-I522 HydrophobicContact CB-CG1 4.12Å
521	F	96.7	Very high	91.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.1	163.5	-70.5	-100.7	0	0	0	108.9	Y355 F374 I380 M382 L397 V487 Y488 L489 I490 T519	Y355-F521 HydrophobicContact CE1-CZ 4.49Å; F374-F521 HydrophobicContact CB-CZ 4.45Å; F374-F521 HydrophobicContact CD1-CE2 4.18Å; F374-F521 AromaticContact CD1-CZ 3.83Å; F374-F521 HydrophobicContact CD1-CZ 3.83Å; F374-F521 HydrophobicContact CD2-CE2 4.5Å; F374-F521 HydrophobicContact CE1-CE2 4.25Å; F374-F521 HydrophobicContact CE1-CZ 4.18Å; F374-F521 HydrophobicContact CG-CE2 4.29Å; F374-F521 HydrophobicContact CG-CZ 4.15Å; F374-F521 HydrophobicContact CZ-CE2 4.42Å; I380-F521 HydrophobicContact CB-CD1 3.93Å; I380-F521 HydrophobicContact CB-CE1 4.04Å; I380-F521 HydrophobicContact CB-CG 4.46Å; I380-F521 HydrophobicContact CD1-CD1 4.35Å; I380-F521 HydrophobicContact CD1-CE1 3.64Å; I380-F521 HydrophobicContact CD1-CE2 4.27Å; I380-F521 HydrophobicContact CD1-CZ 3.59Å; I380-F521 HydrophobicContact CG1-CE1 4.44Å; I380-F521 HydrophobicContact CG2-CD1 3.88Å; I380-F521 HydrophobicContact CG2-CE1 3.92Å; I380-F521 CarbonylContact O-C 3.54Å; I380-F521 VanDerWaalsContact O-CA 3.31Å; I380-F521 WeakPolarHBondContact O-CA 3.38Å; M382-F521 HydrophobicContact CE-CB 3.93Å; M382-F521 HydrophobicContact SD-CD1 4.36Å; L397-F521 HydrophobicContact CD1-CD1 3.9Å; L397-F521 HydrophobicContact CD1-CD2 4.09Å; L397-F521 HydrophobicContact CD1-CE1 3.98Å; L397-F521 HydrophobicContact CD1-CE2 4.17Å; L397-F521 HydrophobicContact CD1-CG 3.95Å; L397-F521 HydrophobicContact CD1-CZ 4.11Å; V487-F521 HydrophobicContact CG1-CD2 3.66Å; V487-F521 HydrophobicContact CG1-CE2 4Å; Y488-F521 PolarHBondContact O-N 3.2Å; L489-F521 WeakPolarHBondContact CA-O 3.39Å; L489-F521 HydrophobicContact CD2-CB 3.76Å; L489-F521 HydrophobicContact CD2-CD2 3.95Å; L489-F521 HydrophobicContact CD2-CG 4.16Å; I490-F521 PolarHBondContact N-O 2.84Å; T519-F521 HydrophobicContact CG2-CE2 4.26Å
522	I	97.3	Very high	91.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.7	-173.5	-52.6	-177.5	0	0	0	109.7	I379 I380 V381 M382 I490 P493 I509 A520 E524 L533	I379-I522 HydrophobicContact CG2-CD1 3.56Å; I379-I522 HydrophobicContact CG2-CG1 4.09Å; I380-I522 PolarHBondContact O-N 3.17Å; V381-I522 CarbonylContact C-O 3.49Å; V381-I522 VanDerWaalsContact CA-O 3.3Å; V381-I522 WeakPolarHBondContact CA-O 3.35Å; V381-I522 HydrophobicContact CG2-CB 4.41Å; M382-I522 PolarHBondContact N-O 2.61Å; I490-I522 HydrophobicContact CB-CG1 4.24Å; I490-I522 HydrophobicContact CB-CG2 4.41Å; I490-I522 HydrophobicContact CD1-CD1 4.46Å; I490-I522 HydrophobicContact CD1-CG1 4.47Å; I490-I522 CarbonylContact O-C 3.54Å; I490-I522 VanDerWaalsContact O-CA 3.29Å; I490-I522 WeakPolarHBondContact O-CA 3.21Å; P493-I522 HydrophobicContact CG-CG2 3.66Å; I509-I522 HydrophobicContact CG2-CD1 3.63Å; A520-I522 HydrophobicContact CB-CD1 4.3Å; A520-I522 HydrophobicContact CB-CG1 4.12Å; I522-E524 HydrophobicContact CG2-CG 3.93Å; I522-L533 HydrophobicContact CD1-CB 4.49Å; I522-L533 HydrophobicContact CD1-CD1 3.89Å; I522-L533 HydrophobicContact CD1-CD2 4.18Å; I522-L533 HydrophobicContact CD1-CG 4.43Å; I522-L533 HydrophobicContact CG2-CD1 4.33Å
523	V	96.1	Very high	91.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	124	166.9	176.2	0	0	0	0	108.1	M382 K390 I394 I490 D491 E492 P493	M382-V523 HydrophobicContact CB-CG2 4.13Å; M382-V523 HydrophobicContact CE-CG2 3.51Å; K390-V523 HydrophobicContact CB-CG1 4.32Å; K390-V523 HydrophobicContact CB-CG2 3.87Å; K390-V523 HydrophobicContact CD-CG1 3.96Å; I394-V523 HydrophobicContact CD1-CB 4.46Å; I394-V523 HydrophobicContact CD1-CG2 3.45Å; I394-V523 VanDerWaalsContact CD1-CG2 3.45Å; I394-V523 HydrophobicContact CG1-CG2 4.41Å; I490-V523 PolarHBondContact O-N 3.2Å; D491-V523 VanDerWaalsContact OD1-CB 3.3Å; D491-V523 WeakPolarHBondContact OD1-CB 3.47Å; E492-V523 VanDerWaalsContact CA-O 3.23Å; E492-V523 WeakPolarHBondContact CA-O 3.46Å; E492-V523 HydrophobicContact CG-CG1 3.95Å; E492-V523 PolarHBondContact N-O 3.42Å; P493-V523 VanDerWaalsContact CD-O 3.29Å; P493-V523 WeakPolarHBondContact CD-O 3.3Å
524	E	94.1	Very high	91.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.			trans	-136.3	154	176.7	-95.8	-59.2	157.7	0	0	112.8	V381 L383 P493 S494 I522 D526 M529 A530	V381-E524 HydrophobicContact CG1-CB 4.22Å; L383-E524 WeakPolarHBondContact CD2-O 3.43Å; P493-E524 WeakPolarHBondContact CD-OE1 3.48Å; P493-E524 HydrophobicContact CG-CG 4.23Å; P493-E524 WeakPolarHBondContact CG-OE1 3.16Å; S494-E524 WeakPolarHBondContact CB-OE1 3.18Å; S494-E524 WeakPolarHBondContact CB-OE2 3.39Å; S494-E524 PolarHBondContact N-OE1 2.85Å; S494-E524 VanDerWaalsContact OG-CD 3.27Å; S494-E524 PolarHBondContact OG-OE1 2.79Å; S494-E524 VanDerWaalsContact OG-OE1 3.09Å; S494-E524 PolarHBondContact OG-OE2 2.96Å; I522-E524 HydrophobicContact CG2-CG 3.93Å; E524-D526 PolarHBondContact OE2-N 2.84Å; E524-M529 HydrophobicContact CG-CG 4.12Å; E524-A530 HydrophobicContact CB-CB 4.12Å
525	H	91	Very high	91.7	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.028	10%	0.102	C	C	.	.			trans	-123.9	-17.8	176	-73.9	-63	0	0	0	112.1	D253 V254 R257 G384 N386 K390 E492	D253-H525 WeakPolarHBondContact CB-CE1 3.34Å; V254-H525 HydrophobicContact CG2-CB 4.46Å; V254-H525 WeakPolarHBondContact CG2-O 3.3Å; R257-H525 PolarHBondContact NH1-O 3.05Å; G384-H525 PolarHBondContact O-CE1 3.08Å; N386-H525 PolarHBondContact OD1-NE2 2.94Å; K390-H525 PolarHBondContact NZ-CE1 3.11Å; K390-H525 PolarHBondContact NZ-NE2 2.97Å; E492-H525 IonicContact OE1-CD2 2.9Å; E492-H525 PolarHBondContact OE1-CD2 2.9Å; E492-H525 IonicContact OE1-NE2 2.69Å; E492-H525 PolarHBondContact OE1-NE2 2.83Å
526	D	91.6	Very high	91.8	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.027	9%	0.086	C	C	.	.			trans	-82.4	115.8	173.4	-175.5	-78.1	0	0	0	109.7	R502 E524 I528 M529 A530	R502-D526 IonicContact CZ-OD2 2.81Å; R502-D526 IonicContact NH1-OD2 3.38Å; R502-D526 PolarHBondContact NH1-OD2 3.22Å; E524-D526 PolarHBondContact OE2-N 2.84Å; D526-I528 VanDerWaalsContact C-N 3.3Å; D526-I528 PolarHBondContact O-N 3.32Å; D526-I528 WeakPolarHBondContact OD1-CB 3.49Å; D526-I528 PolarHBondContact OD1-N 3.47Å; D526-M529 HydrophobicContact CB-CB 3.98Å; D526-M529 PolarHBondContact O-N 2.82Å; D526-M529 WeakPolarHBondContact OD1-CB 3.43Å; D526-M529 PolarHBondContact OD1-N 3.24Å; D526-A530 VanDerWaalsContact O-CB 3.26Å; D526-A530 WeakPolarHBondContact O-CB 3.29Å; D526-A530 PolarHBondContact O-N 3.12Å
527	F	89.3	Confident	92.1	Very high	7 Å²	7	15.9 Å²	15.9	3%	0.031	7%	0.071	C	C	.	.	H	α-helix	trans	-62.3	-37.3	-175	-86.7	-67	0	0	0	113.5	V254 L258 T531 M560 F563 L564 L567 F571	V254-F527 HydrophobicContact CB-CE2 4.44Å; V254-F527 HydrophobicContact CB-CZ 4.5Å; V254-F527 HydrophobicContact CG1-CD2 4.24Å; V254-F527 HydrophobicContact CG1-CE1 4.31Å; V254-F527 HydrophobicContact CG1-CE2 3.23Å; V254-F527 HydrophobicContact CG1-CZ 3.27Å; V254-F527 HydrophobicContact CG2-CE2 4.43Å; V254-F527 HydrophobicContact CG2-CZ 4.46Å; L258-F527 HydrophobicContact CD1-CE2 4.28Å; F527-T531 WeakPolarHBondContact O-CB 3.37Å; F527-T531 VanDerWaalsContact O-CG2 3.27Å; F527-T531 WeakPolarHBondContact O-CG2 3.45Å; F527-T531 PolarHBondContact O-N 2.88Å; F527-T531 PolarHBondContact O-OG1 3.07Å; F527-M560 HydrophobicContact CD1-CE 3.79Å; F527-M560 HydrophobicContact CE1-CE 3.82Å; F527-F563 HydrophobicContact CE1-CD1 4.18Å; F527-F563 AromaticContact CE1-CE1 3.88Å; F527-F563 HydrophobicContact CE1-CE1 3.88Å; F527-F563 AromaticContact CZ-CE1 4Å; F527-F563 HydrophobicContact CZ-CE1 4Å; F527-L564 HydrophobicContact CE1-CD2 3.59Å; F527-L564 HydrophobicContact CZ-CD2 3.51Å; F527-L567 HydrophobicContact CZ-CD1 4.33Å; F527-F571 HydrophobicContact CB-CE1 4.08Å; F527-F571 HydrophobicContact CB-CZ 3.88Å; F527-F571 HydrophobicContact CD1-CE1 4.45Å; F527-F571 HydrophobicContact CD1-CE2 4.19Å; F527-F571 AromaticContact CD1-CZ 3.77Å; F527-F571 HydrophobicContact CD1-CZ 3.77Å; F527-F571 HydrophobicContact CD2-CE1 4.37Å; F527-F571 HydrophobicContact CD2-CE2 4.05Å; F527-F571 AromaticContact CD2-CZ 3.39Å; F527-F571 HydrophobicContact CD2-CZ 3.39Å; F527-F571 AromaticContact CE1-CE2 3.98Å; F527-F571 HydrophobicContact CE1-CE2 3.98Å; F527-F571 HydrophobicContact CE1-CZ 4.02Å; F527-F571 AromaticContact CE2-CE2 3.75Å; F527-F571 HydrophobicContact CE2-CE2 3.75Å; F527-F571 AromaticContact CE2-CZ 3.59Å; F527-F571 HydrophobicContact CE2-CZ 3.59Å; F527-F571 HydrophobicContact CG-CE1 4.1Å; F527-F571 HydrophobicContact CG-CE2 4.2Å; F527-F571 AromaticContact CG-CZ 3.42Å; F527-F571 HydrophobicContact CG-CZ 3.42Å; F527-F571 VanDerWaalsContact CG-CZ 3.42Å; F527-F571 AromaticContact CZ-CE2 3.72Å; F527-F571 HydrophobicContact CZ-CE2 3.72Å; F527-F571 AromaticContact CZ-CZ 3.91Å; F527-F571 HydrophobicContact CZ-CZ 3.91Å
528	I	88.1	Confident	92.4	Very high	3 Å²	3	9.4 Å²	9.4	2%	0.015	4%	0.043	C	C	.	.	H	α-helix	trans	-66.7	-46	179.8	-77.5	164.5	0	0	0	109.9	L281 S282 F336 L503 D526 T531 Y532 P580	L281-I528 HydrophobicContact CB-CD1 3.56Å; L281-I528 HydrophobicContact CD1-CD1 4.15Å; L281-I528 HydrophobicContact CG-CD1 4.28Å; S282-I528 WeakPolarHBondContact OG-CG1 3.45Å; F336-I528 HydrophobicContact CD1-CG2 3.87Å; F336-I528 HydrophobicContact CE1-CB 4.45Å; F336-I528 HydrophobicContact CE1-CG2 3Å; F336-I528 HydrophobicContact CE2-CG2 4.48Å; F336-I528 HydrophobicContact CZ-CG2 3.38Å; L503-I528 HydrophobicContact CD2-CG2 3.79Å; D526-I528 VanDerWaalsContact C-N 3.3Å; D526-I528 PolarHBondContact O-N 3.32Å; D526-I528 WeakPolarHBondContact OD1-CB 3.49Å; D526-I528 PolarHBondContact OD1-N 3.47Å; I528-T531 PolarHBondContact O-OG1 3.44Å; I528-Y532 WeakPolarHBondContact O-CB 3.49Å; I528-Y532 PolarHBondContact O-N 3.46Å; I528-P580 HydrophobicContact CG1-CG 3.7Å
529	M	90.2	Very high	92.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-65.4	-44.5	175.8	-174.5	155.4	-177.2	0	0	111.8	P493 A505 A506 I509 E524 D526 Y532 L533	P493-M529 HydrophobicContact CB-CE 3.79Å; P493-M529 HydrophobicContact CG-CE 3.69Å; A505-M529 HydrophobicContact CB-CE 4.19Å; A506-M529 HydrophobicContact CB-CE 4.14Å; A506-M529 HydrophobicContact CB-CG 3.84Å; A506-M529 HydrophobicContact CB-SD 4.28Å; I509-M529 HydrophobicContact CD1-CE 4.01Å; E524-M529 HydrophobicContact CG-CG 4.12Å; D526-M529 HydrophobicContact CB-CB 3.98Å; D526-M529 PolarHBondContact O-N 2.82Å; D526-M529 WeakPolarHBondContact OD1-CB 3.43Å; D526-M529 PolarHBondContact OD1-N 3.24Å; M529-Y532 PolarHBondContact O-N 3.08Å; M529-L533 HydrophobicContact CE-CD1 3.77Å; M529-L533 HydrophobicContact CG-CD1 3.55Å; M529-L533 HydrophobicContact CG-CG 4.34Å; M529-L533 VanDerWaalsContact O-CB 3.3Å; M529-L533 WeakPolarHBondContact O-CB 3.43Å; M529-L533 WeakPolarHBondContact O-CD1 3.4Å; M529-L533 VanDerWaalsContact O-CG 3.24Å; M529-L533 WeakPolarHBondContact O-CG 3.4Å; M529-L533 PolarHBondContact O-N 3.35Å
530	A	91.4	Very high	92.6	Very high	2 Å²	2	7 Å²	7	2%	0.017	3%	0.033	C	C	.	.	H	α-helix	trans	-58.9	-51.4	178.2	0	0	0	0	0	111.8	V381 L383 E524 D526 Y532 L533 A534	V381-A530 HydrophobicContact CG1-CB 4.03Å; L383-A530 HydrophobicContact CD2-CB 4.11Å; E524-A530 HydrophobicContact CB-CB 4.12Å; D526-A530 VanDerWaalsContact O-CB 3.26Å; D526-A530 WeakPolarHBondContact O-CB 3.29Å; D526-A530 PolarHBondContact O-N 3.12Å; A530-Y532 VanDerWaalsContact C-N 3.33Å; A530-Y532 PolarHBondContact O-N 2.91Å; A530-L533 PolarHBondContact O-N 2.67Å; A530-A534 WeakPolarHBondContact O-CB 3.07Å; A530-A534 PolarHBondContact O-N 3.15Å
531	T	88.5	Confident	92.5	Very high	4 Å²	4	10.7 Å²	10.7	3%	0.025	5%	0.053	C	C	.	.	H	α-helix	trans	-67.9	-31.6	179.1	53.4	0	0	0	0	113	F527 I528 M560 F600	F527-T531 WeakPolarHBondContact O-CB 3.37Å; F527-T531 VanDerWaalsContact O-CG2 3.27Å; F527-T531 WeakPolarHBondContact O-CG2 3.45Å; F527-T531 PolarHBondContact O-N 2.88Å; F527-T531 PolarHBondContact O-OG1 3.07Å; I528-T531 PolarHBondContact O-OG1 3.44Å; T531-M560 HydrophobicContact CG2-CE 3.87Å; T531-M560 HydrophobicContact CG2-SD 4.5Å; T531-F600 HydrophobicContact CG2-CE2 3.96Å; T531-F600 HydrophobicContact CG2-CZ 4.01Å
532	Y	88	Confident	92.2	Very high	36 Å²	36	12.4 Å²	12.4	14%	0.141	7%	0.071	C	C	.	.	H	α-helix	trans	-68.9	-40.3	174.8	-178.1	-90.1	0	0	0	111.9	F336 A506 K507 K510 I528 M529 A530	F336-Y532 HydrophobicContact CD1-CD2 4.43Å; A506-Y532 HydrophobicContact CB-CD1 3.66Å; A506-Y532 HydrophobicContact CB-CE1 4.19Å; A506-Y532 HydrophobicContact CB-CG 4.42Å; A506-Y532 WeakPolarHBondContact O-CE1 3.4Å; K507-Y532 HydrophobicContact CG-CE1 4.07Å; K507-Y532 WeakPolarHBondContact CG-OH 3.48Å; K510-Y532 HydrophobicContact CB-CE1 3.88Å; K510-Y532 HydrophobicContact CD-CD1 4.1Å; K510-Y532 HydrophobicContact CD-CE1 3.64Å; K510-Y532 VanDerWaalsContact CD-O 3.31Å; K510-Y532 WeakPolarHBondContact CD-O 3.26Å; K510-Y532 HydrophobicContact CG-CE1 4.38Å; K510-Y532 PolarHBondContact NZ-O 3Å; I528-Y532 WeakPolarHBondContact O-CB 3.49Å; I528-Y532 PolarHBondContact O-N 3.46Å; M529-Y532 PolarHBondContact O-N 3.08Å; A530-Y532 VanDerWaalsContact C-N 3.33Å; A530-Y532 PolarHBondContact O-N 2.91Å
533	L	91.4	Very high	91.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-80.7	-41.4	-175.9	-74.3	169.2	0	0	0	113.4	I379 V381 A506 I509 K510 I522 M529 A530 D535	I379-L533 VanDerWaalsContact CB-O 3.26Å; I379-L533 WeakPolarHBondContact CB-O 3.43Å; I379-L533 HydrophobicContact CD1-CD2 4.32Å; I379-L533 HydrophobicContact CG2-CB 4.16Å; I379-L533 WeakPolarHBondContact CG2-O 3.32Å; V381-L533 HydrophobicContact CG2-CB 4.04Å; A506-L533 HydrophobicContact CB-CD2 4.48Å; A506-L533 HydrophobicContact CB-CG 4.33Å; A506-L533 WeakPolarHBondContact O-CD2 3.16Å; I509-L533 HydrophobicContact CB-CD2 3.98Å; I509-L533 HydrophobicContact CG2-CD2 3.91Å; K510-L533 HydrophobicContact CB-CD2 4.13Å; I522-L533 HydrophobicContact CD1-CB 4.49Å; I522-L533 HydrophobicContact CD1-CD1 3.89Å; I522-L533 HydrophobicContact CD1-CD2 4.18Å; I522-L533 HydrophobicContact CD1-CG 4.43Å; I522-L533 HydrophobicContact CG2-CD1 4.33Å; M529-L533 HydrophobicContact CE-CD1 3.77Å; M529-L533 HydrophobicContact CG-CD1 3.55Å; M529-L533 HydrophobicContact CG-CG 4.34Å; M529-L533 VanDerWaalsContact O-CB 3.3Å; M529-L533 WeakPolarHBondContact O-CB 3.43Å; M529-L533 WeakPolarHBondContact O-CD1 3.4Å; M529-L533 VanDerWaalsContact O-CG 3.24Å; M529-L533 WeakPolarHBondContact O-CG 3.4Å; M529-L533 PolarHBondContact O-N 3.35Å; A530-L533 PolarHBondContact O-N 2.67Å; L533-D535 PolarHBondContact O-N 2.73Å
534	A	90.8	Very high	91.4	Very high	5 Å²	5	21.4 Å²	21.4	4%	0.041	12%	0.118	C	C	.	.			trans	-69.8	123.4	-166.5	0	0	0	0	0	113.7	V381 A530 V537 L556	V381-A534 HydrophobicContact CB-CB 3.81Å; V381-A534 HydrophobicContact CG2-CB 3.53Å; A530-A534 WeakPolarHBondContact O-CB 3.07Å; A530-A534 PolarHBondContact O-N 3.15Å; A534-V537 HydrophobicContact CB-CG2 3.94Å; A534-L556 HydrophobicContact CB-CD1 3.64Å
535	D	90.4	Very high	91	Very high	32 Å²	32	23 Å²	23	17%	0.171	13%	0.134	C	C	.	.	S	Bend	trans	-87.5	-39.5	158	-59.3	-53.9	0	0	0	109.8	E378 I379 L533	E378-D535 WeakPolarHBondContact CA-OD2 3.21Å; E378-D535 HydrophobicContact CB-CB 4.42Å; I379-D535 PolarHBondContact N-OD2 2.91Å; I379-D535 PolarHBondContact O-N 2.63Å; L533-D535 PolarHBondContact O-N 2.73Å
536	R	93	Very high	91	Very high	32 Å²	32	26.3 Å²	26.3	12%	0.121	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	159.3	174.3	-69.8	-164.7	-68.1	153	0.4	111.2	S373 F374 E378 I379 I380 V381 P553 Q554	S373-R536 PolarHBondContact O-NH1 3.39Å; S373-R536 PolarHBondContact O-NH2 2.84Å; F374-R536 VanDerWaalsContact CA-NH2 3.32Å; E378-R536 IonicContact OE1-CZ 2.68Å; E378-R536 IonicContact OE1-NE 3.46Å; E378-R536 IonicContact OE1-NH2 3.93Å; E378-R536 PolarHBondContact OE1-NH2 3.49Å; E378-R536 IonicContact OE2-CZ 3.31Å; E378-R536 IonicContact OE2-NE 2.72Å; E378-R536 PolarHBondContact OE2-NE 3.18Å; E378-R536 IonicContact OE2-NH2 2.74Å; E378-R536 PolarHBondContact OE2-NH2 2.87Å; I379-R536 PolarHBondContact O-N 2.93Å; I380-R536 WeakPolarHBondContact CA-O 3.16Å; I380-R536 HydrophobicContact CG1-CB 4.36Å; V381-R536 PolarHBondContact N-O 2.87Å; R536-P553 HydrophobicContact CB-CB 4.44Å; R536-P553 PolarHBondContact NH1-O 2.88Å; R536-Q554 CarbonylContact C-O 3.49Å; R536-Q554 WeakPolarHBondContact CA-O 3.45Å; R536-Q554 WeakPolarHBondContact CB-O 3.31Å
537	V	94.6	Very high	91.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.5	-175.9	179	0	0	0	0	110.3	V381 L383 A534 V539 Q554 L556 M560	V381-V537 CarbonylContact O-C 3.59Å; V381-V537 VanDerWaalsContact O-CA 3.25Å; V381-V537 WeakPolarHBondContact O-CA 3.33Å; L383-V537 HydrophobicContact CB-CG1 4.43Å; L383-V537 HydrophobicContact CD1-CG1 3.69Å; L383-V537 HydrophobicContact CG-CG1 3.96Å; A534-V537 HydrophobicContact CB-CG2 3.94Å; V537-V539 HydrophobicContact CG1-CG2 3.93Å; V537-Q554 PolarHBondContact N-O 2.72Å; V537-Q554 PolarHBondContact O-N 3.06Å; V537-L556 HydrophobicContact CG2-CD1 3.75Å; V537-M560 HydrophobicContact CG2-CG 4.43Å
538	V	96.2	Very high	91.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.7	166.1	167.1	0	0	0	0	107.5	I380 V381 M382 L383 F393 F540 A550 T551 P553	I380-V538 HydrophobicContact CG2-CB 4.43Å; I380-V538 HydrophobicContact CG2-CG2 3.69Å; V381-V538 PolarHBondContact O-N 3.31Å; M382-V538 WeakPolarHBondContact CA-O 3.2Å; M382-V538 HydrophobicContact CG-CB 4.02Å; M382-V538 HydrophobicContact CG-CG1 4.32Å; L383-V538 PolarHBondContact N-O 2.74Å; F393-V538 HydrophobicContact CE1-CG1 4.49Å; V538-F540 HydrophobicContact CG1-CD2 4.12Å; V538-F540 HydrophobicContact CG1-CE2 3.74Å; V538-A550 HydrophobicContact CG1-CB 4.21Å; V538-T551 WeakPolarHBondContact CG1-O 3.02Å; V538-P553 HydrophobicContact CG2-CB 3.86Å; V538-P553 HydrophobicContact CG2-CG 3.76Å
539	V	95.4	Very high	91.8	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.1	177.5	-175.4	0	0	0	0	108.8	V537 T551 G559 F563	V537-V539 HydrophobicContact CG1-CG2 3.93Å; V539-T551 PolarHBondContact N-OG1 3.03Å; V539-T551 PolarHBondContact O-N 2.68Å; V539-T551 PolarHBondContact O-OG1 2.64Å; V539-G559 VanDerWaalsContact CG2-O 3.26Å; V539-G559 WeakPolarHBondContact CG2-O 3.49Å; V539-F563 HydrophobicContact CG1-CB 4.02Å; V539-F563 HydrophobicContact CG1-CD2 4.03Å; V539-F563 HydrophobicContact CG1-CG 4.49Å; V539-F563 HydrophobicContact CG2-CB 4.05Å
540	F	95.1	Very high	92.1	Very high	9 Å²	9	33.7 Å²	33.7	4%	0.039	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.1	170.1	-75.2	-107	0	0	0	109.4	L367 M382 L383 T388 K390 F393 V538 T549 A550	L367-F540 HydrophobicContact CD1-CD1 4.36Å; L367-F540 HydrophobicContact CD1-CE1 4.02Å; M382-F540 HydrophobicContact CB-CE2 3.96Å; M382-F540 HydrophobicContact CG-CE2 4.08Å; M382-F540 HydrophobicContact SD-CE2 4.17Å; M382-F540 HydrophobicContact SD-CZ 4.44Å; L383-F540 PolarHBondContact O-N 2.83Å; T388-F540 WeakPolarHBondContact O-CD1 3.18Å; K390-F540 HydrophobicContact CB-CE2 4.38Å; K390-F540 HydrophobicContact CB-CZ 4.26Å; K390-F540 HydrophobicContact CG-CD1 4.18Å; K390-F540 HydrophobicContact CG-CD2 3.69Å; K390-F540 HydrophobicContact CG-CE1 4.15Å; K390-F540 HydrophobicContact CG-CE2 3.7Å; K390-F540 HydrophobicContact CG-CG 3.93Å; K390-F540 HydrophobicContact CG-CZ 3.93Å; F393-F540 HydrophobicContact CB-CE1 4.41Å; F393-F540 HydrophobicContact CB-CZ 3.92Å; F393-F540 HydrophobicContact CD1-CE2 4.34Å; F393-F540 AromaticContact CD1-CZ 3.77Å; F393-F540 HydrophobicContact CD1-CZ 3.77Å; F393-F540 HydrophobicContact CG-CZ 4.27Å; V538-F540 HydrophobicContact CG1-CD2 4.12Å; V538-F540 HydrophobicContact CG1-CE2 3.74Å; F540-T549 WeakPolarHBondContact CA-O 3.37Å; F540-A550 HydrophobicContact CD1-CB 3.85Å; F540-A550 HydrophobicContact CD2-CB 4.41Å; F540-A550 HydrophobicContact CE1-CB 3.52Å; F540-A550 HydrophobicContact CE2-CB 4.08Å; F540-A550 HydrophobicContact CG-CB 4.3Å; F540-A550 HydrophobicContact CZ-CB 3.64Å
541	D	92.3	Very high	92.3	Very high	78 Å²	78	33.7 Å²	33.7	42%	0.417	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	157	178.7	-168.4	14.8	0	0	0	110.4	A548 T549	D541-A548 CarbonylContact O-C 3.48Å; D541-A548 WeakPolarHBondContact O-CA 3.38Å; D541-T549 PolarHBondContact N-O 3.37Å; D541-T549 PolarHBondContact O-N 3.06Å; D541-T549 PolarHBondContact O-OG1 3.47Å
542	G	90.7	Very high	92.6	Very high	37 Å²	37	36 Å²	36	38%	0.381	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	117.9	-162.4	-179	0	0	0	0	0	114.5	K547	G542-K547 CarbonylContact C-O 3.42Å; G542-K547 WeakPolarHBondContact CA-O 3.12Å
543	Q	89.4	Confident	92.9	Very high	130 Å²	130	34.8 Å²	34.8	61%	0.607	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.6	-173.9	-69.6	-177.8	-5.9	0	0	111.1	G545 V546 K547	Q543-G545 PolarHBondContact O-N 3.13Å; Q543-V546 HydrophobicContact CB-CB 4.06Å; Q543-V546 PolarHBondContact O-N 3.35Å; Q543-V546 VanDerWaalsContact O-N 3.12Å; Q543-K547 PolarHBondContact N-O 2.97Å; Q543-K547 PolarHBondContact O-N 2.93Å; Q543-K547 VanDerWaalsContact O-N 3.1Å
544	P	87.5	Confident	92.9	Very high	58 Å²	58	36.5 Å²	36.5	38%	0.377	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	127.1	175.6	-32.4	38.3	0	0	0	113.3	E385 N386 T388 V546	E385-P544 HydrophobicContact CB-CG 3.98Å; N386-P544 WeakPolarHBondContact O-CB 3.16Å; T388-P544 HydrophobicContact CG2-CG 4.47Å; P544-V546 PolarHBondContact O-N 3.45Å; P544-V546 VanDerWaalsContact O-N 3.15Å
545	G	86.1	Confident	92.9	Very high	33 Å²	33	41.6 Å²	41.6	34%	0.34	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	-2.6	176.3	0	0	0	0	0	116.2	G387 Q543	G387-G545 PolarHBondContact O-N 2.74Å; Q543-G545 PolarHBondContact O-N 3.13Å
546	V	90.6	Very high	92.9	Very high	77 Å²	77	41.2 Å²	41.2	47%	0.467	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-64.9	177.3	-177.3	0	0	0	0	111.5	F365 D366 Q543 P544	F365-V546 WeakPolarHBondContact CA-O 3.18Å; D366-V546 PolarHBondContact N-O 3.28Å; Q543-V546 HydrophobicContact CB-CB 4.06Å; Q543-V546 PolarHBondContact O-N 3.35Å; Q543-V546 VanDerWaalsContact O-N 3.12Å; P544-V546 PolarHBondContact O-N 3.45Å; P544-V546 VanDerWaalsContact O-N 3.15Å
547	K	94.3	Very high	92.7	Very high	121 Å²	121	43.1 Å²	43.1	53%	0.526	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	130.6	-177.8	-176	176.3	-178.8	178.3	0	111.1	D366 G542 Q543	D366-K547 HydrophobicContact CB-CG 4.31Å; D366-K547 CarbonylContact O-C 3.57Å; D366-K547 VanDerWaalsContact O-CA 3.29Å; D366-K547 WeakPolarHBondContact O-CA 3.36Å; G542-K547 CarbonylContact C-O 3.42Å; G542-K547 WeakPolarHBondContact CA-O 3.12Å; Q543-K547 PolarHBondContact N-O 2.97Å; Q543-K547 PolarHBondContact O-N 2.93Å; Q543-K547 VanDerWaalsContact O-N 3.1Å
548	A	95.9	Very high	92.5	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.8	176.6	0	0	0	0	0	113.3	F365 D366 L367 T368 T388 D541	F365-A548 HydrophobicContact CE2-CB 3.89Å; F365-A548 HydrophobicContact CZ-CB 3.93Å; D366-A548 PolarHBondContact O-N 3.19Å; L367-A548 HydrophobicContact CD1-CB 4.28Å; T368-A548 PolarHBondContact N-O 3.35Å; T368-A548 PolarHBondContact OG1-O 3.19Å; T388-A548 WeakPolarHBondContact O-CB 3.22Å; D541-A548 CarbonylContact O-C 3.48Å; D541-A548 WeakPolarHBondContact O-CA 3.38Å
549	T	95.7	Very high	92.2	Very high	48 Å²	48	46.9 Å²	46.9	29%	0.294	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.5	175	50.4	0	0	0	0	109.1	T368 F540 D541	T368-T549 CarbonylContact O-C 3.56Å; T368-T549 VanDerWaalsContact O-CA 3.31Å; T368-T549 WeakPolarHBondContact O-CA 3.44Å; T368-T549 WeakPolarHBondContact OG1-CA 3.48Å; T368-T549 WeakPolarHBondContact OG1-CG2 3.17Å; F540-T549 WeakPolarHBondContact CA-O 3.37Å; D541-T549 PolarHBondContact N-O 3.37Å; D541-T549 PolarHBondContact O-N 3.06Å; D541-T549 PolarHBondContact O-OG1 3.47Å
550	A	95.9	Very high	92	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	116.8	168.2	0	0	0	0	0	108.5	T368 V369 E370 V538 F540	T368-A550 PolarHBondContact O-N 2.82Å; V369-A550 HydrophobicContact CB-CB 4.3Å; V369-A550 HydrophobicContact CG1-CB 4.18Å; V369-A550 HydrophobicContact CG2-CB 4.04Å; E370-A550 PolarHBondContact N-O 2.64Å; V538-A550 HydrophobicContact CG1-CB 4.21Å; F540-A550 HydrophobicContact CD1-CB 3.85Å; F540-A550 HydrophobicContact CD2-CB 4.41Å; F540-A550 HydrophobicContact CE1-CB 3.52Å; F540-A550 HydrophobicContact CE2-CB 4.08Å; F540-A550 HydrophobicContact CG-CB 4.3Å; F540-A550 HydrophobicContact CZ-CB 3.64Å
551	T	95.5	Very high	91.9	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-70.3	159.6	-179.4	52.8	0	0	0	0	112.5	E370 V538 V539 Q554	E370-T551 VanDerWaalsContact OE2-CA 3.32Å; E370-T551 WeakPolarHBondContact OE2-CA 3.49Å; V538-T551 WeakPolarHBondContact CG1-O 3.02Å; V539-T551 PolarHBondContact N-OG1 3.03Å; V539-T551 PolarHBondContact O-N 2.68Å; V539-T551 PolarHBondContact O-OG1 2.64Å; T551-Q554 PolarHBondContact OG1-NE2 3.48Å
552	T	94.7	Very high	91.8	Very high	53 Å²	53	47.9 Å²	47.9	33%	0.325	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-58.2	149.7	168.3	-160.2	0	0	0	0	111.1	E370 A371 Q554	E370-T552 PolarHBondContact OE2-N 2.99Å; A371-T552 WeakPolarHBondContact O-CB 3.01Å; A371-T552 PolarHBondContact O-OG1 3.34Å; T552-Q554 WeakPolarHBondContact O-CG 3.38Å; T552-Q554 PolarHBondContact O-N 3.33Å; T552-Q554 VanDerWaalsContact O-N 3.12Å
553	P	94.5	Very high	91.9	Very high	10 Å²	10	46.3 Å²	46.3	7%	0.065	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-64.9	116.1	-177.5	-17.6	31.4	0	0	0	111	Y355 I380 R536 V538	Y355-P553 HydrophobicContact CE1-CG 4.21Å; Y355-P553 VanDerWaalsContact OH-CD 3.24Å; Y355-P553 WeakPolarHBondContact OH-CD 3.36Å; Y355-P553 VanDerWaalsContact OH-CG 3.31Å; Y355-P553 WeakPolarHBondContact OH-CG 3.25Å; I380-P553 HydrophobicContact CD1-CB 4.35Å; I380-P553 HydrophobicContact CD1-CG 4.36Å; I380-P553 HydrophobicContact CG2-CB 4.38Å; R536-P553 HydrophobicContact CB-CB 4.44Å; R536-P553 PolarHBondContact NH1-O 2.88Å; V538-P553 HydrophobicContact CG2-CB 3.86Å; V538-P553 HydrophobicContact CG2-CG 3.76Å
554	Q	92.7	Very high	92	Very high	36 Å²	36	40.1 Å²	40.1	17%	0.168	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	161.3	-176.9	-73.1	164.4	58.9	0	0	111.6	R536 V537 T551 T552	R536-Q554 CarbonylContact C-O 3.49Å; R536-Q554 WeakPolarHBondContact CA-O 3.45Å; R536-Q554 WeakPolarHBondContact CB-O 3.31Å; V537-Q554 PolarHBondContact N-O 2.72Å; V537-Q554 PolarHBondContact O-N 3.06Å; T551-Q554 PolarHBondContact OG1-NE2 3.48Å; T552-Q554 WeakPolarHBondContact O-CG 3.38Å; T552-Q554 PolarHBondContact O-N 3.33Å; T552-Q554 VanDerWaalsContact O-N 3.12Å
555	N	91.1	Very high	92.2	Very high	111 Å²	111	42.3 Å²	42.3	59%	0.594	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	148.5	169.3	-71.3	-11.3	0	0	0	110.8	V557 T558 G559	N555-V557 VanDerWaalsContact C-N 3.32Å; N555-V557 PolarHBondContact O-N 3.32Å; N555-T558 PolarHBondContact O-N 2.81Å; N555-G559 PolarHBondContact O-N 3.08Å
556	L	88.5	Confident	92.4	Very high	25 Å²	25	44.4 Å²	44.4	13%	0.131	24%	0.242	C	C	.	.	H	α-helix	trans	-47.9	-51.8	-177.4	179.9	62.1	0	0	0	112.7	V338 A534 V537 M560 F600	V338-L556 HydrophobicContact CG1-CD2 4.3Å; A534-L556 HydrophobicContact CB-CD1 3.64Å; V537-L556 HydrophobicContact CG2-CD1 3.75Å; L556-M560 HydrophobicContact CD1-CG 3.66Å; L556-M560 HydrophobicContact CD1-SD 4.5Å; L556-M560 HydrophobicContact CG-CG 4.3Å; L556-M560 WeakPolarHBondContact O-CB 3.38Å; L556-M560 WeakPolarHBondContact O-CG 3.4Å; L556-M560 PolarHBondContact O-N 3.4Å; L556-F600 HydrophobicContact CG-CE1 4.3Å
557	V	89	Confident	92.3	Very high	72 Å²	72	41.8 Å²	41.8	44%	0.436	23%	0.225	S	C	.	.	H	α-helix	trans	-62.3	-49.3	-176.8	179	0	0	0	0	111.4	N555 N561 F600	N555-V557 VanDerWaalsContact C-N 3.32Å; N555-V557 PolarHBondContact O-N 3.32Å; V557-N561 WeakPolarHBondContact O-CB 3.39Å; V557-N561 PolarHBondContact O-N 3.34Å; V557-F600 HydrophobicContact CB-CD1 4.4Å; V557-F600 HydrophobicContact CG1-CD1 4.34Å; V557-F600 HydrophobicContact CG2-CD1 4.35Å; V557-F600 HydrophobicContact CG2-CE1 4.39Å
558	T	90.5	Very high	92	Very high	80 Å²	80	39.7 Å²	39.7	49%	0.491	22%	0.22	S	C	.	.	H	α-helix	trans	-64.8	-47.5	-178.7	-48.1	0	0	0	0	111.8	N555 N561 K562	N555-T558 PolarHBondContact O-N 2.81Å; T558-N561 PolarHBondContact O-N 3.28Å; T558-K562 PolarHBondContact O-N 2.97Å
559	G	90.8	Very high	91.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.6	-44.6	179.7	0	0	0	0	0	112.1	V539 N555 K562 F563	V539-G559 VanDerWaalsContact CG2-O 3.26Å; V539-G559 WeakPolarHBondContact CG2-O 3.49Å; N555-G559 PolarHBondContact O-N 3.08Å; G559-K562 PolarHBondContact O-N 3.34Å; G559-F563 WeakPolarHBondContact O-CB 3.07Å; G559-F563 PolarHBondContact O-N 3.23Å
560	M	91	Very high	91.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-42	175.4	-71.4	-63.5	-62.7	0	0	111.9	L383 F527 T531 V537 L556 K562 F563 L564 F600	L383-M560 HydrophobicContact CD1-CE 4.49Å; L383-M560 HydrophobicContact CD1-SD 3.38Å; L383-M560 WeakPolarHBondContact CD1-SD 3.47Å; F527-M560 HydrophobicContact CD1-CE 3.79Å; F527-M560 HydrophobicContact CE1-CE 3.82Å; T531-M560 HydrophobicContact CG2-CE 3.87Å; T531-M560 HydrophobicContact CG2-SD 4.5Å; V537-M560 HydrophobicContact CG2-CG 4.43Å; L556-M560 HydrophobicContact CD1-CG 3.66Å; L556-M560 HydrophobicContact CD1-SD 4.5Å; L556-M560 HydrophobicContact CG-CG 4.3Å; L556-M560 WeakPolarHBondContact O-CB 3.38Å; L556-M560 WeakPolarHBondContact O-CG 3.4Å; L556-M560 PolarHBondContact O-N 3.4Å; M560-K562 PolarHBondContact O-N 2.97Å; M560-F563 PolarHBondContact O-N 3.2Å; M560-L564 HydrophobicContact CE-CD1 4.26Å; M560-L564 HydrophobicContact CE-CG 4.44Å; M560-L564 VanDerWaalsContact O-CB 3.22Å; M560-L564 WeakPolarHBondContact O-CB 3.44Å; M560-L564 WeakPolarHBondContact O-CG 3.25Å; M560-L564 PolarHBondContact O-N 2.95Å; M560-F600 HydrophobicContact CB-CB 4.13Å; M560-F600 HydrophobicContact CB-CD1 3.87Å; M560-F600 HydrophobicContact CB-CD2 3.71Å; M560-F600 HydrophobicContact CB-CE1 4.12Å; M560-F600 HydrophobicContact CB-CE2 3.98Å; M560-F600 HydrophobicContact CB-CG 3.62Å; M560-F600 HydrophobicContact CB-CZ 4.16Å; M560-F600 HydrophobicContact CE-CD2 4.15Å; M560-F600 HydrophobicContact CE-CE2 3.83Å; M560-F600 HydrophobicContact CG-CD1 4.5Å; M560-F600 HydrophobicContact CG-CD2 4.3Å; M560-F600 HydrophobicContact CG-CE1 4.26Å; M560-F600 HydrophobicContact CG-CE2 4.04Å; M560-F600 HydrophobicContact CG-CG 4.49Å; M560-F600 HydrophobicContact CG-CZ 4.01Å
561	N	92	Very high	91.3	Very high	31 Å²	31	38.4 Å²	38.4	17%	0.166	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-46.2	178.2	-162.8	67.9	0	0	0	111.3	V557 T558 L564 Q565 G597 N598 Y599 F600	V557-N561 WeakPolarHBondContact O-CB 3.39Å; V557-N561 PolarHBondContact O-N 3.34Å; T558-N561 PolarHBondContact O-N 3.28Å; N561-L564 PolarHBondContact O-N 3.26Å; N561-Q565 VanDerWaalsContact O-CB 3.23Å; N561-Q565 WeakPolarHBondContact O-CB 3.33Å; N561-Q565 PolarHBondContact O-N 3.04Å; N561-G597 PolarHBondContact ND2-O 3.04Å; N561-G597 VanDerWaalsContact ND2-O 3.11Å; N561-N598 WeakPolarHBondContact OD1-CA 3.45Å; N561-Y599 WeakPolarHBondContact OD1-CA 3.42Å; N561-Y599 PolarHBondContact OD1-N 3.2Å; N561-F600 HydrophobicContact CB-CB 4.35Å; N561-F600 PolarHBondContact OD1-N 2.84Å
562	K	91.5	Very high	90.9	Very high	80 Å²	80	41.7 Å²	41.7	35%	0.348	22%	0.223	S	C	.	.	H	α-helix	trans	-61.3	-45.4	176.8	-175.2	177.6	-179.6	178.6	0	111.9	T558 G559 M560 S566	T558-K562 PolarHBondContact O-N 2.97Å; G559-K562 PolarHBondContact O-N 3.34Å; M560-K562 PolarHBondContact O-N 2.97Å; K562-S566 PolarHBondContact O-N 3.35Å
563	F	92.4	Very high	90.5	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-66.5	-41.7	179.1	179.2	-114.7	0	0	0	112.6	V254 L383 F527 V539 G559 M560 S566 L567	V254-F563 HydrophobicContact CB-CE1 4.31Å; V254-F563 HydrophobicContact CB-CZ 3.96Å; V254-F563 HydrophobicContact CG1-CE1 4.04Å; V254-F563 HydrophobicContact CG1-CZ 4.1Å; V254-F563 HydrophobicContact CG2-CE1 4.17Å; V254-F563 HydrophobicContact CG2-CZ 4.01Å; L383-F563 HydrophobicContact CB-CD1 4.14Å; L383-F563 HydrophobicContact CB-CD2 4.08Å; L383-F563 HydrophobicContact CB-CE1 4.11Å; L383-F563 HydrophobicContact CB-CE2 4.08Å; L383-F563 HydrophobicContact CB-CG 4.1Å; L383-F563 HydrophobicContact CB-CZ 4.08Å; L383-F563 HydrophobicContact CD1-CD1 3.79Å; L383-F563 HydrophobicContact CD1-CE1 4.16Å; L383-F563 HydrophobicContact CD1-CG 4.24Å; F527-F563 HydrophobicContact CE1-CD1 4.18Å; F527-F563 AromaticContact CE1-CE1 3.88Å; F527-F563 HydrophobicContact CE1-CE1 3.88Å; F527-F563 AromaticContact CZ-CE1 4Å; F527-F563 HydrophobicContact CZ-CE1 4Å; V539-F563 HydrophobicContact CG1-CB 4.02Å; V539-F563 HydrophobicContact CG1-CD2 4.03Å; V539-F563 HydrophobicContact CG1-CG 4.49Å; V539-F563 HydrophobicContact CG2-CB 4.05Å; G559-F563 WeakPolarHBondContact O-CB 3.07Å; G559-F563 PolarHBondContact O-N 3.23Å; M560-F563 PolarHBondContact O-N 3.2Å; F563-S566 PolarHBondContact O-N 3Å; F563-S566 PolarHBondContact O-OG 3.41Å; F563-L567 HydrophobicContact CD1-CD1 4.08Å; F563-L567 HydrophobicContact CE1-CD1 3.59Å; F563-L567 HydrophobicContact CE2-CD1 4.13Å; F563-L567 HydrophobicContact CZ-CD1 3.62Å; F563-L567 HydrophobicContact CZ-CG 4.5Å; F563-L567 WeakPolarHBondContact O-CG 3.34Å; F563-L567 PolarHBondContact O-N 2.74Å
564	L	92.1	Very high	90.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-71.6	-32.6	179.3	-71.8	177.2	0	0	0	112.4	F527 M560 N561 L567 D568 I569 F571 Y599 F600	F527-L564 HydrophobicContact CE1-CD2 3.59Å; F527-L564 HydrophobicContact CZ-CD2 3.51Å; M560-L564 HydrophobicContact CE-CD1 4.26Å; M560-L564 HydrophobicContact CE-CG 4.44Å; M560-L564 VanDerWaalsContact O-CB 3.22Å; M560-L564 WeakPolarHBondContact O-CB 3.44Å; M560-L564 WeakPolarHBondContact O-CG 3.25Å; M560-L564 PolarHBondContact O-N 2.95Å; N561-L564 PolarHBondContact O-N 3.26Å; L564-L567 CarbonylContact O-C 3.51Å; L564-L567 PolarHBondContact O-N 3.14Å; L564-D568 PolarHBondContact O-N 3.42Å; L564-I569 WeakPolarHBondContact CB-O 3.41Å; L564-I569 PolarHBondContact O-N 3.34Å; L564-I569 VanDerWaalsContact O-N 3.12Å; L564-F571 HydrophobicContact CD1-CB 4.09Å; L564-F571 HydrophobicContact CD1-CD2 3.57Å; L564-F571 HydrophobicContact CD1-CE2 4.31Å; L564-F571 HydrophobicContact CD1-CG 4.11Å; L564-F571 HydrophobicContact CD2-CD2 3.52Å; L564-F571 HydrophobicContact CD2-CE2 3.47Å; L564-F571 VanDerWaalsContact CD2-CE2 3.47Å; L564-F571 HydrophobicContact CG-CD2 4.21Å; L564-Y599 WeakPolarHBondContact CD1-O 3.39Å; L564-F600 HydrophobicContact CD1-CB 4.02Å; L564-F600 HydrophobicContact CD1-CD2 3.66Å; L564-F600 HydrophobicContact CD1-CG 4.29Å
565	Q	91.3	Very high	89.5	Confident	103 Å²	103	44.9 Å²	44.9	48%	0.481	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-43	172	-178.1	176.8	25.4	0	0	111.9	N561 L567 D568 Y599	N561-Q565 VanDerWaalsContact O-CB 3.23Å; N561-Q565 WeakPolarHBondContact O-CB 3.33Å; N561-Q565 PolarHBondContact O-N 3.04Å; Q565-L567 PolarHBondContact O-N 3.11Å; Q565-D568 PolarHBondContact O-N 3.09Å; Q565-D568 VanDerWaalsContact O-N 3.08Å; Q565-Y599 HydrophobicContact CB-CD1 4.41Å; Q565-Y599 HydrophobicContact CB-CD2 3.76Å; Q565-Y599 HydrophobicContact CB-CE1 4.45Å; Q565-Y599 HydrophobicContact CB-CE2 3.84Å; Q565-Y599 HydrophobicContact CB-CG 4.07Å; Q565-Y599 HydrophobicContact CG-CD2 4.11Å; Q565-Y599 HydrophobicContact CG-CE2 3.65Å
566	S	89.5	Confident	89.1	Confident	77 Å²	77	43.9 Å²	43.9	54%	0.538	24%	0.238	S	C	.	.	H	α-helix	trans	-67.4	-20.8	177.8	70.5	0	0	0	0	113.2	K562 F563	K562-S566 PolarHBondContact O-N 3.35Å; F563-S566 PolarHBondContact O-N 3Å; F563-S566 PolarHBondContact O-OG 3.41Å
567	L	88.7	Confident	88.7	Confident	23 Å²	23	44.2 Å²	44.2	12%	0.12	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-6.8	174.3	-61.9	174.6	0	0	0	113.6	V254 K255 F527 F563 L564 Q565 I569	V254-L567 HydrophobicContact CB-CD1 4.33Å; V254-L567 HydrophobicContact CG1-CD1 3.45Å; V254-L567 VanDerWaalsContact CG1-CD1 3.45Å; K255-L567 HydrophobicContact CB-CD2 3.58Å; K255-L567 HydrophobicContact CD-CD2 4.26Å; K255-L567 HydrophobicContact CG-CD2 3.9Å; F527-L567 HydrophobicContact CZ-CD1 4.33Å; F563-L567 HydrophobicContact CD1-CD1 4.08Å; F563-L567 HydrophobicContact CE1-CD1 3.59Å; F563-L567 HydrophobicContact CE2-CD1 4.13Å; F563-L567 HydrophobicContact CZ-CD1 3.62Å; F563-L567 HydrophobicContact CZ-CG 4.5Å; F563-L567 WeakPolarHBondContact O-CG 3.34Å; F563-L567 PolarHBondContact O-N 2.74Å; L564-L567 CarbonylContact O-C 3.51Å; L564-L567 PolarHBondContact O-N 3.14Å; Q565-L567 PolarHBondContact O-N 3.11Å; L567-I569 VanDerWaalsContact C-N 3.33Å; L567-I569 HydrophobicContact CB-CD1 4.28Å; L567-I569 WeakPolarHBondContact O-CG1 3.49Å; L567-I569 PolarHBondContact O-N 3.2Å
568	D	89.2	Confident	88.4	Confident	77 Å²	77	42.4 Å²	42.4	41%	0.412	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	41.8	-172.4	-168	38.1	0	0	0	114.6	L564 Q565 K594	L564-D568 PolarHBondContact O-N 3.42Å; Q565-D568 PolarHBondContact O-N 3.09Å; Q565-D568 VanDerWaalsContact O-N 3.08Å; D568-K594 WeakPolarHBondContact O-CE 3.29Å; D568-K594 PolarHBondContact O-NZ 3.22Å; D568-K594 WeakPolarHBondContact OD1-CE 3.05Å; D568-K594 IonicContact OD1-NZ 3.24Å; D568-K594 PolarHBondContact OD1-NZ 2.86Å; D568-K594 IonicContact OD2-NZ 3.25Å; D568-K594 PolarHBondContact OD2-NZ 2.81Å
569	I	89.5	Confident	88.1	Confident	21 Å²	21	38.7 Å²	38.7	11%	0.108	21%	0.21	C	C	.	.			trans	-131.7	139.2	-174.1	-69.5	165.9	0	0	0	111	L258 L564 L567 F571 I582 Y599	L258-I569 HydrophobicContact CB-CD1 3.79Å; L258-I569 HydrophobicContact CD1-CD1 3.1Å; L258-I569 HydrophobicContact CD1-CG1 4.48Å; L258-I569 HydrophobicContact CD2-CD1 4.02Å; L258-I569 HydrophobicContact CG-CD1 3.76Å; L564-I569 WeakPolarHBondContact CB-O 3.41Å; L564-I569 PolarHBondContact O-N 3.34Å; L564-I569 VanDerWaalsContact O-N 3.12Å; L567-I569 VanDerWaalsContact C-N 3.33Å; L567-I569 HydrophobicContact CB-CD1 4.28Å; L567-I569 WeakPolarHBondContact O-CG1 3.49Å; L567-I569 PolarHBondContact O-N 3.2Å; I569-F571 HydrophobicContact CG2-CD2 4.39Å; I569-F571 HydrophobicContact CG2-CE2 4.23Å; I569-I582 HydrophobicContact CG2-CG2 3.58Å; I569-Y599 WeakPolarHBondContact O-CD1 3.37Å
570	T	91.6	Very high	87.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.			trans	-111.2	145.2	-178.1	63.9	0	0	0	0	112.7	N583 D590 Q593 K594 Y599	T570-N583 PolarHBondContact O-N 2.88Å; T570-N583 WeakPolarHBondContact OG1-CB 3.44Å; T570-N583 PolarHBondContact OG1-ND2 3.3Å; T570-D590 WeakPolarHBondContact CB-OD1 3.45Å; T570-D590 VanDerWaalsContact CG2-OD1 3.31Å; T570-D590 WeakPolarHBondContact CG2-OD1 2.85Å; T570-D590 WeakPolarHBondContact OG1-CA 3.2Å; T570-D590 PolarHBondContact OG1-OD1 2.96Å; T570-Q593 VanDerWaalsContact CB-OE1 3.31Å; T570-Q593 HydrophobicContact CG2-CB 3.73Å; T570-Q593 PolarHBondContact OG1-OE1 3.24Å; T570-K594 HydrophobicContact CG2-CG 3.61Å; T570-Y599 CarbonylContact C-O 3.52Å; T570-Y599 WeakPolarHBondContact CA-O 3.5Å; T570-Y599 HydrophobicContact CG2-CD1 3.85Å; T570-Y599 HydrophobicContact CG2-CE1 4.41Å; T570-Y599 HydrophobicContact CG2-CG 4.41Å
571	F	90.9	Very high	87.8	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.6	178.4	-90.2	-102.5	0	0	0	111.2	F527 L564 I569 P580 R581 I582 Q593 Y599 F600 F601	F527-F571 HydrophobicContact CB-CE1 4.08Å; F527-F571 HydrophobicContact CB-CZ 3.88Å; F527-F571 HydrophobicContact CD1-CE1 4.45Å; F527-F571 HydrophobicContact CD1-CE2 4.19Å; F527-F571 AromaticContact CD1-CZ 3.77Å; F527-F571 HydrophobicContact CD1-CZ 3.77Å; F527-F571 HydrophobicContact CD2-CE1 4.37Å; F527-F571 HydrophobicContact CD2-CE2 4.05Å; F527-F571 AromaticContact CD2-CZ 3.39Å; F527-F571 HydrophobicContact CD2-CZ 3.39Å; F527-F571 AromaticContact CE1-CE2 3.98Å; F527-F571 HydrophobicContact CE1-CE2 3.98Å; F527-F571 HydrophobicContact CE1-CZ 4.02Å; F527-F571 AromaticContact CE2-CE2 3.75Å; F527-F571 HydrophobicContact CE2-CE2 3.75Å; F527-F571 AromaticContact CE2-CZ 3.59Å; F527-F571 HydrophobicContact CE2-CZ 3.59Å; F527-F571 HydrophobicContact CG-CE1 4.1Å; F527-F571 HydrophobicContact CG-CE2 4.2Å; F527-F571 AromaticContact CG-CZ 3.42Å; F527-F571 HydrophobicContact CG-CZ 3.42Å; F527-F571 VanDerWaalsContact CG-CZ 3.42Å; F527-F571 AromaticContact CZ-CE2 3.72Å; F527-F571 HydrophobicContact CZ-CE2 3.72Å; F527-F571 AromaticContact CZ-CZ 3.91Å; F527-F571 HydrophobicContact CZ-CZ 3.91Å; L564-F571 HydrophobicContact CD1-CB 4.09Å; L564-F571 HydrophobicContact CD1-CD2 3.57Å; L564-F571 HydrophobicContact CD1-CE2 4.31Å; L564-F571 HydrophobicContact CD1-CG 4.11Å; L564-F571 HydrophobicContact CD2-CD2 3.52Å; L564-F571 HydrophobicContact CD2-CE2 3.47Å; L564-F571 VanDerWaalsContact CD2-CE2 3.47Å; L564-F571 HydrophobicContact CG-CD2 4.21Å; I569-F571 HydrophobicContact CG2-CD2 4.39Å; I569-F571 HydrophobicContact CG2-CE2 4.23Å; F571-P580 HydrophobicContact CD1-CB 3.9Å; F571-P580 HydrophobicContact CE1-CB 4.13Å; F571-R581 CarbonylContact C-O 3.54Å; F571-R581 VanDerWaalsContact CA-O 3.24Å; F571-R581 WeakPolarHBondContact CA-O 3.31Å; F571-I582 HydrophobicContact CD1-CG1 4.32Å; F571-I582 HydrophobicContact CD2-CG1 4.45Å; F571-I582 HydrophobicContact CE1-CD1 4.4Å; F571-I582 HydrophobicContact CE1-CG1 3.62Å; F571-I582 HydrophobicContact CE2-CD1 4.12Å; F571-I582 HydrophobicContact CE2-CG1 3.77Å; F571-I582 HydrophobicContact CZ-CD1 3.69Å; F571-I582 HydrophobicContact CZ-CG1 3.32Å; F571-Q593 PolarHBondContact O-NE2 3.48Å; F571-Q593 PolarHBondContact O-OE1 2.91Å; F571-Y599 PolarHBondContact N-O 2.92Å; F571-F600 HydrophobicContact CB-CD2 4.29Å; F571-F601 VanDerWaalsContact C-CE1 3.47Å; F571-F601 HydrophobicContact CB-CD1 4.46Å; F571-F601 HydrophobicContact CB-CE1 3.65Å; F571-F601 HydrophobicContact CB-CZ 3.87Å; F571-F601 HydrophobicContact CD1-CE1 4.47Å; F571-F601 HydrophobicContact CD1-CZ 4.1Å; F571-F601 HydrophobicContact CG-CZ 4.46Å; F571-F601 WeakPolarHBondContact O-CD1 3.49Å
572	R	88.2	Confident	87.7	Confident	71 Å²	71	38.3 Å²	38.3	27%	0.268	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	154.1	170.6	63.6	173.2	175	166.4	-0.7	112.5	R581 N583 F601	R572-R581 HydrophobicContact CG-CB 4.11Å; R572-R581 PolarHBondContact N-O 2.71Å; R572-R581 WeakPolarHBondContact O-CB 3.24Å; R572-R581 PolarHBondContact O-N 3.11Å; R572-N583 WeakPolarHBondContact CD-OD1 3.45Å; R572-N583 WeakPolarHBondContact CG-OD1 3.47Å; R572-N583 PolarHBondContact NE-OD1 3.34Å; R572-N583 VanDerWaalsContact NE-OD1 3.09Å; R572-F601 VanDerWaalsContact CA-CE1 3.43Å; R572-F601 WeakPolarHBondContact O-CE1 3.5Å
573	R	85.5	Confident	87.7	Confident	54 Å²	54	34.7 Å²	34.7	20%	0.204	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	142.2	173	-68.6	-172.4	175.6	-179.1	-0.2	109.9	E340 F601	E340-R573 IonicContact OE1-CZ 3.42Å; E340-R573 VanDerWaalsContact OE1-CZ 3.24Å; E340-R573 IonicContact OE1-NH1 2.96Å; E340-R573 PolarHBondContact OE1-NH1 3.19Å; E340-R573 IonicContact OE1-NH2 2.79Å; E340-R573 PolarHBondContact OE1-NH2 3.16Å; R573-F601 HydrophobicContact CB-CD1 4.31Å; R573-F601 HydrophobicContact CG-CB 4.04Å; R573-F601 HydrophobicContact CG-CD1 3.48Å; R573-F601 VanDerWaalsContact CG-CD1 3.48Å; R573-F601 HydrophobicContact CG-CD2 3.94Å; R573-F601 HydrophobicContact CG-CE1 3.97Å; R573-F601 HydrophobicContact CG-CE2 4.37Å; R573-F601 HydrophobicContact CG-CG 3.5Å; R573-F601 VanDerWaalsContact CG-CG 3.5Å; R573-F601 HydrophobicContact CG-CZ 4.42Å; R573-F601 VanDerWaalsContact N-CD1 3.29Å
574	D	85.2	Confident	87.5	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.011	20%	0.204	C	C	.	.			trans	-71	130.8	164.2	-165.4	-85.8	0	0	0	109.9	R311 T576 N577 A578 R579 R581	R311-D574 VanDerWaalsContact CD-OD2 3.28Å; R311-D574 WeakPolarHBondContact CD-OD2 3.49Å; R311-D574 WeakPolarHBondContact CG-OD2 3.46Å; D574-T576 PolarHBondContact O-N 3.02Å; D574-T576 VanDerWaalsContact O-N 3.15Å; D574-T576 WeakPolarHBondContact OD1-CB 3.23Å; D574-T576 PolarHBondContact OD1-N 3.37Å; D574-T576 PolarHBondContact OD1-OG1 3.45Å; D574-N577 WeakPolarHBondContact CB-OD1 3.41Å; D574-A578 WeakPolarHBondContact O-CA 3.27Å; D574-A578 PolarHBondContact O-N 3.09Å; D574-R579 HydrophobicContact CB-CG 3.64Å; D574-R579 PolarHBondContact N-O 3.27Å; D574-R581 HydrophobicContact CB-CG 4.26Å; D574-R581 WeakPolarHBondContact OD2-CD 3.21Å; D574-R581 IonicContact OD2-NH1 3.59Å; D574-R581 PolarHBondContact OD2-NH1 2.89Å
575	P	82.1	Confident	87.2	Confident	110 Å²	110	41.4 Å²	41.4	71%	0.714	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-18	-175.3	26.3	-35.7	0	0	0	113.8
576	T	81.4	Confident	87	Confident	90 Å²	90	42.2 Å²	42.2	55%	0.552	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-38.8	-175	61.1	0	0	0	0	113.4	N315 D574	N315-T576 PolarHBondContact ND2-OG1 2.99Å; D574-T576 PolarHBondContact O-N 3.02Å; D574-T576 VanDerWaalsContact O-N 3.15Å; D574-T576 WeakPolarHBondContact OD1-CB 3.23Å; D574-T576 PolarHBondContact OD1-N 3.37Å; D574-T576 PolarHBondContact OD1-OG1 3.45Å
577	N	81.3	Confident	86.9	Confident	32 Å²	32	40.3 Å²	40.3	17%	0.171	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	12.7	-172.9	61.7	13.8	0	0	0	113.4	N315 D574 R579	N315-N577 PolarHBondContact OD1-ND2 3.22Å; D574-N577 WeakPolarHBondContact CB-OD1 3.41Å; N577-R579 PolarHBondContact O-N 2.9Å; N577-R579 WeakPolarHBondContact OD1-CB 3.26Å; N577-R579 WeakPolarHBondContact OD1-CG 3.26Å; N577-R579 PolarHBondContact OD1-N 3.4Å
578	A	81.3	Confident	87	Confident	34 Å²	34	44.4 Å²	44.4	28%	0.281	24%	0.243	S	C	.	.			trans	55.9	14.3	179.9	0	0	0	0	0	114.8	D574	D574-A578 WeakPolarHBondContact O-CA 3.27Å; D574-A578 PolarHBondContact O-N 3.09Å
579	R	85.7	Confident	87	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.008	25%	0.246	C	C	.	.			trans	-65.7	144	-177.5	78.2	-175.3	166.2	98.9	-5.1	110.7	D285 R311 I314 N315 F336 D574 N577 R581	D285-R579 IonicContact OD2-CZ 3.52Å; D285-R579 IonicContact OD2-NH1 3.9Å; D285-R579 PolarHBondContact OD2-NH1 2.74Å; D285-R579 IonicContact OD2-NH2 3.13Å; D285-R579 PolarHBondContact OD2-NH2 3.02Å; R311-R579 PolarHBondContact O-NH2 3.02Å; I314-R579 VanDerWaalsContact CG2-CZ 3.45Å; I314-R579 VanDerWaalsContact CG2-NH1 3.34Å; N315-R579 PolarHBondContact OD1-NE 2.78Å; N315-R579 PolarHBondContact OD1-NH2 3.44Å; F336-R579 HydrophobicContact CD2-CB 3.84Å; F336-R579 HydrophobicContact CE2-CB 4.43Å; F336-R579 HydrophobicContact CG-CB 4.34Å; D574-R579 HydrophobicContact CB-CG 3.64Å; D574-R579 PolarHBondContact N-O 3.27Å; N577-R579 PolarHBondContact O-N 2.9Å; N577-R579 WeakPolarHBondContact OD1-CB 3.26Å; N577-R579 WeakPolarHBondContact OD1-CG 3.26Å; N577-R579 PolarHBondContact OD1-N 3.4Å; R579-R581 HydrophobicContact CG-CG 4.09Å; R579-R581 PolarHBondContact O-N 2.78Å
580	P	86.6	Confident	87.1	Confident	2 Å²	2	45 Å²	45	1%	0.013	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.6	174.7	30.3	-37.5	0	0	0	110.7	I528 F571 F601	I528-P580 HydrophobicContact CG1-CG 3.7Å; F571-P580 HydrophobicContact CD1-CB 3.9Å; F571-P580 HydrophobicContact CE1-CB 4.13Å; P580-F601 HydrophobicContact CB-CE1 4.37Å; P580-F601 HydrophobicContact CB-CE2 3.88Å; P580-F601 HydrophobicContact CB-CZ 3.32Å
581	R	88.2	Confident	87.1	Confident	20 Å²	20	47.2 Å²	47.2	8%	0.075	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137	176.9	-63.7	-171.3	61.8	-160.9	-7	111.4	D285 F571 R572 D574 R579	D285-R581 IonicContact OD1-CZ 4Å; D285-R581 IonicContact OD1-NE 3.08Å; D285-R581 PolarHBondContact OD1-NE 3.46Å; D285-R581 IonicContact OD1-NH2 2.62Å; D285-R581 PolarHBondContact OD1-NH2 2.86Å; D285-R581 IonicContact OD2-CZ 2.97Å; D285-R581 IonicContact OD2-NE 3.84Å; D285-R581 PolarHBondContact OD2-NE 3.12Å; D285-R581 IonicContact OD2-NH2 2.97Å; D285-R581 PolarHBondContact OD2-NH2 3.03Å; F571-R581 CarbonylContact C-O 3.54Å; F571-R581 VanDerWaalsContact CA-O 3.24Å; F571-R581 WeakPolarHBondContact CA-O 3.31Å; R572-R581 HydrophobicContact CG-CB 4.11Å; R572-R581 PolarHBondContact N-O 2.71Å; R572-R581 WeakPolarHBondContact O-CB 3.24Å; R572-R581 PolarHBondContact O-N 3.11Å; D574-R581 HydrophobicContact CB-CG 4.26Å; D574-R581 WeakPolarHBondContact OD2-CD 3.21Å; D574-R581 IonicContact OD2-NH1 3.59Å; D574-R581 PolarHBondContact OD2-NH1 2.89Å; R579-R581 HydrophobicContact CG-CG 4.09Å; R579-R581 PolarHBondContact O-N 2.78Å
582	I	90.1	Very high	87.2	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136.6	173.6	-50.5	-168.8	0	0	0	108.9	L258 Y286 I569 F571	L258-I582 HydrophobicContact CD2-CD1 3.76Å; Y286-I582 HydrophobicContact CD2-CB 4.34Å; Y286-I582 HydrophobicContact CD2-CG2 3.62Å; Y286-I582 HydrophobicContact CE2-CG2 4.35Å; Y286-I582 HydrophobicContact CG-CG2 4.33Å; I569-I582 HydrophobicContact CG2-CG2 3.58Å; F571-I582 HydrophobicContact CD1-CG1 4.32Å; F571-I582 HydrophobicContact CD2-CG1 4.45Å; F571-I582 HydrophobicContact CE1-CD1 4.4Å; F571-I582 HydrophobicContact CE1-CG1 3.62Å; F571-I582 HydrophobicContact CE2-CD1 4.12Å; F571-I582 HydrophobicContact CE2-CG1 3.77Å; F571-I582 HydrophobicContact CZ-CD1 3.69Å; F571-I582 HydrophobicContact CZ-CG1 3.32Å
583	N	90.5	Very high	87.3	Confident	4 Å²	4	51 Å²	51	2%	0.021	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-80.5	140.2	166.8	-65.6	-49.8	0	0	0	110.8	T570 R572 D590 Q593	T570-N583 PolarHBondContact O-N 2.88Å; T570-N583 WeakPolarHBondContact OG1-CB 3.44Å; T570-N583 PolarHBondContact OG1-ND2 3.3Å; R572-N583 WeakPolarHBondContact CD-OD1 3.45Å; R572-N583 WeakPolarHBondContact CG-OD1 3.47Å; R572-N583 PolarHBondContact NE-OD1 3.34Å; R572-N583 VanDerWaalsContact NE-OD1 3.09Å; N583-D590 HydrophobicContact CB-CB 3.86Å; N583-Q593 PolarHBondContact ND2-OE1 2.79Å
584	K	88.3	Confident	87.7	Confident	65 Å²	65	50.2 Å²	50.2	28%	0.283	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-62.3	142.7	170.8	-68.6	-172.5	174.8	-177.9	0	109	Y286 S288 D289 N586 S587	Y286-K584 WeakPolarHBondContact O-CE 3.41Å; S288-K584 PolarHBondContact O-NZ 2.93Å; D289-K584 IonicContact OD1-NZ 3.73Å; D289-K584 PolarHBondContact OD1-NZ 3.36Å; K584-N586 PolarHBondContact O-N 2.97Å; K584-S587 WeakPolarHBondContact O-CB 3.16Å; K584-S587 PolarHBondContact O-N 2.8Å; K584-S587 PolarHBondContact O-OG 3.12Å
585	L	86	Confident	87.9	Confident	80 Å²	80	60.2 Å²	60.2	42%	0.419	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	132.1	-178.5	-176.3	68.5	0	0	0	110.6	S587	L585-S587 PolarHBondContact O-N 3.1Å; L585-S587 VanDerWaalsContact O-N 3.09Å
586	N	86.8	Confident	88.3	Confident	120 Å²	120	58.2 Å²	58.2	64%	0.642	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	14	179.3	-58.9	-33.1	0	0	0	115	K584 D590	K584-N586 PolarHBondContact O-N 2.97Å; N586-D590 PolarHBondContact N-OD2 3.5Å
587	S	89	Confident	88.7	Confident	37 Å²	37	55.6 Å²	55.6	26%	0.259	29%	0.291	S	S	.	.			trans	-64.5	155.1	167.9	66.7	0	0	0	0	110.5	K584 L585 K589 D590 V591	K584-S587 WeakPolarHBondContact O-CB 3.16Å; K584-S587 PolarHBondContact O-N 2.8Å; K584-S587 PolarHBondContact O-OG 3.12Å; L585-S587 PolarHBondContact O-N 3.1Å; L585-S587 VanDerWaalsContact O-N 3.09Å; S587-K589 PolarHBondContact O-N 3.15Å; S587-K589 VanDerWaalsContact O-N 3.14Å; S587-D590 WeakPolarHBondContact O-CA 3.21Å; S587-D590 WeakPolarHBondContact O-CB 3.16Å; S587-D590 PolarHBondContact O-N 2.7Å; S587-D590 WeakPolarHBondContact OG-CB 3.39Å; S587-D590 PolarHBondContact OG-N 3.31Å; S587-V591 PolarHBondContact O-N 2.87Å
588	V	90.3	Very high	89.1	Confident	108 Å²	108	56.2 Å²	56.2	66%	0.655	29%	0.294	S	S	*	.	H	α-helix	trans	-49.8	-45.4	-179.2	179.7	0	0	0	0	111.6	V591 E592	V588-V591 PolarHBondContact O-N 2.78Å; V588-E592 WeakPolarHBondContact CG1-OE1 3.4Å; V588-E592 VanDerWaalsContact O-CG 3.3Å; V588-E592 WeakPolarHBondContact O-CG 3.44Å; V588-E592 PolarHBondContact O-N 3.48Å
589	K	88.8	Confident	89.6	Confident	109 Å²	109	55.8 Å²	55.8	47%	0.474	29%	0.285	S	S	.	.	H	α-helix	trans	-68.2	-35.8	178.7	-65.1	-167.3	177.6	-157.2	0	113.6	S587 Q593	S587-K589 PolarHBondContact O-N 3.15Å; S587-K589 VanDerWaalsContact O-N 3.14Å; K589-Q593 WeakPolarHBondContact O-CB 3.32Å; K589-Q593 WeakPolarHBondContact O-CG 3.15Å; K589-Q593 PolarHBondContact O-N 2.89Å
590	D	91.3	Very high	89.7	Confident	2 Å²	2	56 Å²	56	1%	0.011	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-47.6	175.6	-175.7	52.6	0	0	0	110.4	T570 N583 N586 S587 E592 Q593 K594	T570-D590 WeakPolarHBondContact CB-OD1 3.45Å; T570-D590 VanDerWaalsContact CG2-OD1 3.31Å; T570-D590 WeakPolarHBondContact CG2-OD1 2.85Å; T570-D590 WeakPolarHBondContact OG1-CA 3.2Å; T570-D590 PolarHBondContact OG1-OD1 2.96Å; N583-D590 HydrophobicContact CB-CB 3.86Å; N586-D590 PolarHBondContact N-OD2 3.5Å; S587-D590 WeakPolarHBondContact O-CA 3.21Å; S587-D590 WeakPolarHBondContact O-CB 3.16Å; S587-D590 PolarHBondContact O-N 2.7Å; S587-D590 WeakPolarHBondContact OG-CB 3.39Å; S587-D590 PolarHBondContact OG-N 3.31Å; D590-E592 PolarHBondContact O-N 2.81Å; D590-Q593 PolarHBondContact O-N 3.16Å; D590-K594 WeakPolarHBondContact O-CB 3.39Å; D590-K594 VanDerWaalsContact O-CG 3.29Å; D590-K594 WeakPolarHBondContact O-CG 3.49Å; D590-K594 PolarHBondContact O-N 3.49Å; D590-K594 VanDerWaalsContact OD1-CE 3.32Å; D590-K594 WeakPolarHBondContact OD1-CE 3.45Å; D590-K594 IonicContact OD1-NZ 2.63Å; D590-K594 WeakPolarHBondContact OD2-CE 3.31Å; D590-K594 IonicContact OD2-NZ 3.03Å; D590-K594 PolarHBondContact OD2-NZ 2.97Å
591	V	91.7	Very high	89.2	Confident	47 Å²	47	56.4 Å²	56.4	29%	0.285	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-43.4	179.1	178.2	0	0	0	0	111.6	S587 V588 R595	S587-V591 PolarHBondContact O-N 2.87Å; V588-V591 PolarHBondContact O-N 2.78Å; V591-R595 WeakPolarHBondContact O-CB 3.29Å; V591-R595 VanDerWaalsContact O-CG 3.27Å; V591-R595 WeakPolarHBondContact O-CG 3.42Å; V591-R595 PolarHBondContact O-N 2.9Å
592	E	91.9	Very high	87.6	Confident	113 Å²	113	60.6 Å²	60.6	53%	0.528	31%	0.311	S	S	.	.	H	α-helix	trans	-60.9	-47.8	176.4	-75.6	171.2	177.3	0	0	112	V588 D590 R595 S596	V588-E592 WeakPolarHBondContact CG1-OE1 3.4Å; V588-E592 VanDerWaalsContact O-CG 3.3Å; V588-E592 WeakPolarHBondContact O-CG 3.44Å; V588-E592 PolarHBondContact O-N 3.48Å; D590-E592 PolarHBondContact O-N 2.81Å; E592-R595 PolarHBondContact O-N 2.89Å; E592-S596 PolarHBondContact O-N 3.4Å; E592-S596 VanDerWaalsContact O-N 3.11Å
593	Q	92	Very high	85.8	Confident	38 Å²	38	63.3 Å²	63.3	18%	0.178	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-45.9	179	-83.7	-168.4	-49.2	0	0	111.9	T570 F571 N583 K589 D590 R595 S596 G597 N598	T570-Q593 VanDerWaalsContact CB-OE1 3.31Å; T570-Q593 HydrophobicContact CG2-CB 3.73Å; T570-Q593 PolarHBondContact OG1-OE1 3.24Å; F571-Q593 PolarHBondContact O-NE2 3.48Å; F571-Q593 PolarHBondContact O-OE1 2.91Å; N583-Q593 PolarHBondContact ND2-OE1 2.79Å; K589-Q593 WeakPolarHBondContact O-CB 3.32Å; K589-Q593 WeakPolarHBondContact O-CG 3.15Å; K589-Q593 PolarHBondContact O-N 2.89Å; D590-Q593 PolarHBondContact O-N 3.16Å; Q593-R595 PolarHBondContact O-N 2.94Å; Q593-S596 PolarHBondContact O-N 2.89Å; Q593-S596 VanDerWaalsContact O-N 3.14Å; Q593-S596 PolarHBondContact O-OG 2.85Å; Q593-G597 PolarHBondContact O-N 3.1Å; Q593-N598 VanDerWaalsContact CB-O 3.3Å; Q593-N598 WeakPolarHBondContact CB-O 3.4Å; Q593-N598 PolarHBondContact O-N 2.94Å
594	K	92.5	Very high	83.4	Confident	37 Å²	37	72.4 Å²	72.4	16%	0.161	39%	0.388	C	S	.	.	H	α-helix	trans	-58.3	-44.6	175.3	-72.9	-178.9	179	-173.4	0	112.3	D568 T570 D590 S596 G597 Y599	D568-K594 WeakPolarHBondContact O-CE 3.29Å; D568-K594 PolarHBondContact O-NZ 3.22Å; D568-K594 WeakPolarHBondContact OD1-CE 3.05Å; D568-K594 IonicContact OD1-NZ 3.24Å; D568-K594 PolarHBondContact OD1-NZ 2.86Å; D568-K594 IonicContact OD2-NZ 3.25Å; D568-K594 PolarHBondContact OD2-NZ 2.81Å; T570-K594 HydrophobicContact CG2-CG 3.61Å; D590-K594 WeakPolarHBondContact O-CB 3.39Å; D590-K594 VanDerWaalsContact O-CG 3.29Å; D590-K594 WeakPolarHBondContact O-CG 3.49Å; D590-K594 PolarHBondContact O-N 3.49Å; D590-K594 VanDerWaalsContact OD1-CE 3.32Å; D590-K594 WeakPolarHBondContact OD1-CE 3.45Å; D590-K594 IonicContact OD1-NZ 2.63Å; D590-K594 WeakPolarHBondContact OD2-CE 3.31Å; D590-K594 IonicContact OD2-NZ 3.03Å; D590-K594 PolarHBondContact OD2-NZ 2.97Å; K594-S596 VanDerWaalsContact C-N 3.26Å; K594-S596 PolarHBondContact O-N 2.78Å; K594-G597 PolarHBondContact O-N 2.79Å; K594-G597 VanDerWaalsContact O-N 3.09Å; K594-Y599 HydrophobicContact CG-CD1 4.49Å; K594-Y599 HydrophobicContact CG-CE1 3.83Å
595	R	91.2	Very high	83.1	Confident	212 Å²	212	72.8 Å²	72.8	80%	0.8	39%	0.394	S	S	*	.	H	α-helix	trans	-61.6	-34.2	177.2	-76.7	175.7	-178.8	-177.1	2.1	113	V591 E592 Q593 G597	V591-R595 WeakPolarHBondContact O-CB 3.29Å; V591-R595 VanDerWaalsContact O-CG 3.27Å; V591-R595 WeakPolarHBondContact O-CG 3.42Å; V591-R595 PolarHBondContact O-N 2.9Å; E592-R595 PolarHBondContact O-N 2.89Å; Q593-R595 PolarHBondContact O-N 2.94Å; R595-G597 VanDerWaalsContact C-N 3.27Å; R595-G597 PolarHBondContact O-N 2.82Å
596	S	90.4	Very high	83	Confident	68 Å²	68	72.4 Å²	72.4	48%	0.476	39%	0.392	S	S	.	.	H	α-helix	trans	-77.8	-9.8	177.6	76.5	0	0	0	0	114	E592 Q593 K594 N598	E592-S596 PolarHBondContact O-N 3.4Å; E592-S596 VanDerWaalsContact O-N 3.11Å; Q593-S596 PolarHBondContact O-N 2.89Å; Q593-S596 VanDerWaalsContact O-N 3.14Å; Q593-S596 PolarHBondContact O-OG 2.85Å; K594-S596 VanDerWaalsContact C-N 3.26Å; K594-S596 PolarHBondContact O-N 2.78Å; S596-N598 WeakPolarHBondContact CB-ND2 3.35Å; S596-N598 PolarHBondContact O-N 3.25Å; S596-N598 PolarHBondContact O-ND2 2.74Å; S596-N598 WeakPolarHBondContact OG-CB 3.29Å; S596-N598 PolarHBondContact OG-N 3.29Å; S596-N598 PolarHBondContact OG-ND2 2.7Å
597	G	89.4	Confident	82.7	Confident	34 Å²	34	69.8 Å²	69.8	35%	0.351	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	6.5	-172.3	0	0	0	0	0	114.5	N561 Q593 K594 R595	N561-G597 PolarHBondContact ND2-O 3.04Å; N561-G597 VanDerWaalsContact ND2-O 3.11Å; Q593-G597 PolarHBondContact O-N 3.1Å; K594-G597 PolarHBondContact O-N 2.79Å; K594-G597 VanDerWaalsContact O-N 3.09Å; R595-G597 VanDerWaalsContact C-N 3.27Å; R595-G597 PolarHBondContact O-N 2.82Å
598	N	89.8	Confident	82.4	Confident	45 Å²	45	71.7 Å²	71.7	24%	0.241	39%	0.386	C	S	.	.			trans	-104.8	96.3	-178.9	-57.1	-63.3	0	0	0	110.2	N561 Q593 S596 L602	N561-N598 WeakPolarHBondContact OD1-CA 3.45Å; Q593-N598 VanDerWaalsContact CB-O 3.3Å; Q593-N598 WeakPolarHBondContact CB-O 3.4Å; Q593-N598 PolarHBondContact O-N 2.94Å; S596-N598 WeakPolarHBondContact CB-ND2 3.35Å; S596-N598 PolarHBondContact O-N 3.25Å; S596-N598 PolarHBondContact O-ND2 2.74Å; S596-N598 WeakPolarHBondContact OG-CB 3.29Å; S596-N598 PolarHBondContact OG-N 3.29Å; S596-N598 PolarHBondContact OG-ND2 2.7Å; N598-L602 HydrophobicContact CB-CD1 4.17Å; N598-L602 HydrophobicContact CB-CG 4.3Å
599	Y	90.8	Very high	81.9	Confident	26 Å²	26	69.4 Å²	69.4	10%	0.102	37%	0.369	C	S	.	.			trans	-84.2	-20.4	175.5	-66.8	-101.4	0	0	0	112.4	N561 L564 Q565 I569 T570 F571 K594	N561-Y599 WeakPolarHBondContact OD1-CA 3.42Å; N561-Y599 PolarHBondContact OD1-N 3.2Å; L564-Y599 WeakPolarHBondContact CD1-O 3.39Å; Q565-Y599 HydrophobicContact CB-CD1 4.41Å; Q565-Y599 HydrophobicContact CB-CD2 3.76Å; Q565-Y599 HydrophobicContact CB-CE1 4.45Å; Q565-Y599 HydrophobicContact CB-CE2 3.84Å; Q565-Y599 HydrophobicContact CB-CG 4.07Å; Q565-Y599 HydrophobicContact CG-CD2 4.11Å; Q565-Y599 HydrophobicContact CG-CE2 3.65Å; I569-Y599 WeakPolarHBondContact O-CD1 3.37Å; T570-Y599 CarbonylContact C-O 3.52Å; T570-Y599 WeakPolarHBondContact CA-O 3.5Å; T570-Y599 HydrophobicContact CG2-CD1 3.85Å; T570-Y599 HydrophobicContact CG2-CE1 4.41Å; T570-Y599 HydrophobicContact CG2-CG 4.41Å; F571-Y599 PolarHBondContact N-O 2.92Å; K594-Y599 HydrophobicContact CG-CD1 4.49Å; K594-Y599 HydrophobicContact CG-CE1 3.83Å
600	F	88.3	Confident	81.4	Confident	7 Å²	7	66.8 Å²	66.8	3%	0.031	36%	0.362	C	S	.	.	S	Bend	trans	-111.1	168.3	174.3	-164.2	-118	0	0	0	112.1	T531 L556 V557 M560 N561 L564 F571 L602	T531-F600 HydrophobicContact CG2-CE2 3.96Å; T531-F600 HydrophobicContact CG2-CZ 4.01Å; L556-F600 HydrophobicContact CG-CE1 4.3Å; V557-F600 HydrophobicContact CB-CD1 4.4Å; V557-F600 HydrophobicContact CG1-CD1 4.34Å; V557-F600 HydrophobicContact CG2-CD1 4.35Å; V557-F600 HydrophobicContact CG2-CE1 4.39Å; M560-F600 HydrophobicContact CB-CB 4.13Å; M560-F600 HydrophobicContact CB-CD1 3.87Å; M560-F600 HydrophobicContact CB-CD2 3.71Å; M560-F600 HydrophobicContact CB-CE1 4.12Å; M560-F600 HydrophobicContact CB-CE2 3.98Å; M560-F600 HydrophobicContact CB-CG 3.62Å; M560-F600 HydrophobicContact CB-CZ 4.16Å; M560-F600 HydrophobicContact CE-CD2 4.15Å; M560-F600 HydrophobicContact CE-CE2 3.83Å; M560-F600 HydrophobicContact CG-CD1 4.5Å; M560-F600 HydrophobicContact CG-CD2 4.3Å; M560-F600 HydrophobicContact CG-CE1 4.26Å; M560-F600 HydrophobicContact CG-CE2 4.04Å; M560-F600 HydrophobicContact CG-CG 4.49Å; M560-F600 HydrophobicContact CG-CZ 4.01Å; N561-F600 HydrophobicContact CB-CB 4.35Å; N561-F600 PolarHBondContact OD1-N 2.84Å; L564-F600 HydrophobicContact CD1-CB 4.02Å; L564-F600 HydrophobicContact CD1-CD2 3.66Å; L564-F600 HydrophobicContact CD1-CG 4.29Å; F571-F600 HydrophobicContact CB-CD2 4.29Å; F600-L602 PolarHBondContact O-N 2.85Å
601	F	76.7	Confident	80.7	Confident	10 Å²	10	71.4 Å²	71.4	4%	0.044	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-56.1	131.9	177.3	-33.8	-58.1	0	0	0	110.2	F571 R572 R573 P580	F571-F601 VanDerWaalsContact C-CE1 3.47Å; F571-F601 HydrophobicContact CB-CD1 4.46Å; F571-F601 HydrophobicContact CB-CE1 3.65Å; F571-F601 HydrophobicContact CB-CZ 3.87Å; F571-F601 HydrophobicContact CD1-CE1 4.47Å; F571-F601 HydrophobicContact CD1-CZ 4.1Å; F571-F601 HydrophobicContact CG-CZ 4.46Å; F571-F601 WeakPolarHBondContact O-CD1 3.49Å; R572-F601 VanDerWaalsContact CA-CE1 3.43Å; R572-F601 WeakPolarHBondContact O-CE1 3.5Å; R573-F601 HydrophobicContact CB-CD1 4.31Å; R573-F601 HydrophobicContact CG-CB 4.04Å; R573-F601 HydrophobicContact CG-CD1 3.48Å; R573-F601 VanDerWaalsContact CG-CD1 3.48Å; R573-F601 HydrophobicContact CG-CD2 3.94Å; R573-F601 HydrophobicContact CG-CE1 3.97Å; R573-F601 HydrophobicContact CG-CE2 4.37Å; R573-F601 HydrophobicContact CG-CG 3.5Å; R573-F601 VanDerWaalsContact CG-CG 3.5Å; R573-F601 HydrophobicContact CG-CZ 4.42Å; R573-F601 VanDerWaalsContact N-CD1 3.29Å; P580-F601 HydrophobicContact CB-CE1 4.37Å; P580-F601 HydrophobicContact CB-CE2 3.88Å; P580-F601 HydrophobicContact CB-CZ 3.32Å
602	L	55	Low	79.9	Confident	108 Å²	108	73.3 Å²	73.3	57%	0.565	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-78.5	145.6	155.6	-70.8	161.1	0	0	0	107	N598 F600 D604	N598-L602 HydrophobicContact CB-CD1 4.17Å; N598-L602 HydrophobicContact CB-CG 4.3Å; F600-L602 PolarHBondContact O-N 2.85Å; L602-D604 PolarHBondContact O-N 2.75Å
603	G	51.8	Low	78.9	Confident	59 Å²	59	70 Å²	70	61%	0.608	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-50.2	137	174.6	0	0	0	0	0	109.9
604	D	38.6	Very low	77.7	Confident	196 Å²	196	72.9 Å²	72.9	100%	1.048	40%	0.402	S	S	*	.			trans	-77.9	0	157.5	-74.6	-36.8	0	0	0	108.1	L602	L602-D604 PolarHBondContact O-N 2.75Å

Retrieved 604 of 604 residues in 811.5 ms (Link to these results)

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