A0A077Z9L5_TRITR Loading...

Pyruvate dehydrogenase phosphatase regulatory sub unit

AlphaFold DB , UniProt , Accession A0A077Z9L5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 665 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	31.5	Very low	28.2	Very low	228 Å²	228	139.9 Å²	139.9	100%	1.123	76%	0.759	S	S	*	*				0	-12.5	0	-67.8	-173.1	-165.5	0	0	114.4
2	A	25	Very low	29.2	Very low	91 Å²	91	134.9 Å²	134.9	75%	0.752	73%	0.725	S	S	*	*			trans	-81.8	-16.2	173.1	0	0	0	0	0	115
3	N	28	Very low	30.1	Very low	144 Å²	144	130.5 Å²	130.5	77%	0.77	71%	0.711	S	S	*	*	S	Bend	trans	-89.2	-3.7	-174.7	-72.6	-2.1	0	0	0	115.3
4	F	26.8	Very low	31	Very low	187 Å²	187	122.1 Å²	122.1	82%	0.82	67%	0.669	S	S	*	*	S	Bend	trans	-91.7	-20.7	-176.8	-122.9	-94.4	0	0	0	113.8
5	W	26.9	Very low	31.9	Very low	219 Å²	219	114.6 Å²	114.6	83%	0.83	63%	0.628	S	S	*	*	S	Bend	trans	-86.7	-17.6	179.7	-79.9	74	0	0	0	113.8	I7	W5-I7 VanDerWaalsContact C-N 3.31Å; W5-I7 PolarHBondContact O-N 3.17Å
6	G	25.5	Very low	32.5	Very low	72 Å²	72	112.6 Å²	112.6	74%	0.742	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-7.7	-177.4	0	0	0	0	0	115.7
7	I	27.8	Very low	33.2	Very low	148 Å²	148	112.5 Å²	112.5	76%	0.759	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-7.7	-169.4	-60.3	176.3	0	0	0	112.5	W5	W5-I7 VanDerWaalsContact C-N 3.31Å; W5-I7 PolarHBondContact O-N 3.17Å
8	M	25.2	Very low	34.1	Very low	138 Å²	138	106.4 Å²	106.4	68%	0.68	58%	0.575	S	S	*	*	S	Bend	trans	-106.8	5.7	-167.4	-82	-135	61.6	0	0	118.1
9	C	29.2	Very low	34.7	Very low	56 Å²	56	102.8 Å²	102.8	38%	0.378	56%	0.555	S	S	.	*			trans	-159.1	111.2	165	-110.4	0	0	0	0	114	L11 F12	C9-L11 PolarHBondContact O-N 3.43Å; C9-L11 VanDerWaalsContact O-N 3.14Å; C9-F12 HydrophobicContact CB-CD2 3.24Å; C9-F12 HydrophobicContact CB-CE2 3.29Å; C9-F12 HydrophobicContact CB-CG 4.4Å
10	P	29.5	Very low	35.2	Very low	125 Å²	125	99.7 Å²	99.7	81%	0.812	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-65.1	-7.5	166.1	-15.1	28.8	0	0	0	113.6	F12	P10-F12 VanDerWaalsContact C-N 3.27Å; P10-F12 PolarHBondContact O-N 2.74Å
11	L	34.6	Very low	35.9	Very low	131 Å²	131	95.6 Å²	95.6	69%	0.686	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-73.6	-13.2	-176.2	-73.3	165.9	0	0	0	114.1	C9	C9-L11 PolarHBondContact O-N 3.43Å; C9-L11 VanDerWaalsContact O-N 3.14Å
12	F	39.9	Very low	36.8	Very low	80 Å²	80	85.4 Å²	85.4	35%	0.351	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-105.3	31	-169.4	-64.7	-58.8	0	0	0	114.2	C9 P10 D135 F394	C9-F12 HydrophobicContact CB-CD2 3.24Å; C9-F12 HydrophobicContact CB-CE2 3.29Å; C9-F12 HydrophobicContact CB-CG 4.4Å; P10-F12 VanDerWaalsContact C-N 3.27Å; P10-F12 PolarHBondContact O-N 2.74Å; F12-D135 VanDerWaalsContact C-OD2 3.3Å; F12-D135 WeakPolarHBondContact CA-OD1 3.26Å; F12-D135 HydrophobicContact CB-CB 4.12Å; F12-D135 WeakPolarHBondContact CB-OD1 3.42Å; F12-D135 WeakPolarHBondContact CD1-OD1 3.09Å; F12-D135 WeakPolarHBondContact O-CB 3.45Å; F12-F394 HydrophobicContact CE1-CE1 4.1Å; F12-F394 HydrophobicContact CZ-CE1 4.06Å; F12-F394 HydrophobicContact CZ-CZ 4.38Å
13	S	40.8	Very low	38.3	Very low	78 Å²	78	84 Å²	84	55%	0.545	46%	0.457	S	S	.	.	S	Bend	trans	-105.1	7.9	171.1	68.5	0	0	0	0	113.3
14	G	42.7	Very low	39.8	Very low	12 Å²	12	77.6 Å²	77.6	12%	0.124	42%	0.423	C	S	.	.	S	Bend	trans	-82.3	-43.4	-169.6	0	0	0	0	0	114	L16 K17 C186	G14-L16 VanDerWaalsContact C-N 3.3Å; G14-L16 PolarHBondContact O-N 2.9Å; G14-K17 WeakPolarHBondContact O-CB 2.99Å; G14-K17 PolarHBondContact O-N 3.09Å; G14-C186 WeakPolarHBondContact O-CB 3.42Å; G14-C186 PolarHBondContact O-SG 2.81Å
15	F	45.5	Very low	41.5	Very low	10 Å²	10	72 Å²	72	4%	0.044	40%	0.397	C	S	.	.	H	α-helix	trans	-67.4	-30.7	-163.7	-84.3	-78.2	0	0	0	113.8	K17 I18 L133 P134 D135 V178 F181 T391	F15-K17 PolarHBondContact O-N 3.39Å; F15-K17 VanDerWaalsContact O-N 3.09Å; F15-I18 HydrophobicContact CD1-CD1 3.68Å; F15-I18 HydrophobicContact CD1-CG1 4.49Å; F15-I18 HydrophobicContact CE1-CD1 3.87Å; F15-I18 PolarHBondContact O-N 2.57Å; F15-I18 VanDerWaalsContact O-N 3.08Å; F15-L133 HydrophobicContact CB-CD2 3.84Å; F15-L133 HydrophobicContact CB-CG 4.14Å; F15-P134 HydrophobicContact CD2-CB 4.29Å; F15-P134 HydrophobicContact CD2-CG 3.83Å; F15-P134 HydrophobicContact CE2-CB 4.47Å; F15-P134 HydrophobicContact CE2-CG 3.88Å; F15-P134 HydrophobicContact CG-CG 4.29Å; F15-P134 HydrophobicContact CZ-CG 4.37Å; F15-D135 PolarHBondContact N-OD2 3.45Å; F15-V178 HydrophobicContact CD1-CG2 3.54Å; F15-V178 HydrophobicContact CE1-CG2 4.07Å; F15-V178 HydrophobicContact CG-CG2 4.48Å; F15-F181 WeakPolarHBondContact CZ-O 3.49Å; F15-T391 HydrophobicContact CE1-CG2 4.39Å; F15-T391 HydrophobicContact CE2-CG2 4.3Å; F15-T391 HydrophobicContact CZ-CG2 3.6Å
16	L	41.7	Very low	43.4	Very low	82 Å²	82	61.9 Å²	61.9	43%	0.429	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-22.7	175.9	-142.2	118.6	0	0	0	112.4	G14 I19 L133 F136	G14-L16 VanDerWaalsContact C-N 3.3Å; G14-L16 PolarHBondContact O-N 2.9Å; L16-I19 HydrophobicContact CG-CD1 4.29Å; L16-I19 WeakPolarHBondContact O-CB 3.18Å; L16-L133 HydrophobicContact CB-CD2 4.44Å; L16-L133 HydrophobicContact CD1-CD2 4.29Å; L16-F136 HydrophobicContact CB-CE2 4.45Å; L16-F136 HydrophobicContact CD1-CD2 4.01Å; L16-F136 HydrophobicContact CD1-CE2 3.42Å; L16-F136 VanDerWaalsContact CD1-CE2 3.42Å; L16-F136 HydrophobicContact CD1-CZ 3.85Å
17	K	43.8	Very low	45.2	Very low	111 Å²	111	59 Å²	59	48%	0.483	33%	0.329	S	S	.	.	H	α-helix	trans	-81.5	-24.3	178.2	-65.6	174.4	-177.2	166.1	0	113.8	G14 F15 I19 G20 C186	G14-K17 WeakPolarHBondContact O-CB 2.99Å; G14-K17 PolarHBondContact O-N 3.09Å; F15-K17 PolarHBondContact O-N 3.39Å; F15-K17 VanDerWaalsContact O-N 3.09Å; K17-I19 PolarHBondContact O-N 3Å; K17-G20 PolarHBondContact O-N 3.12Å; K17-C186 HydrophobicContact CB-CB 4.21Å
18	I	49.3	Very low	47.5	Very low	3 Å²	3	54.8 Å²	54.8	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-66.9	-25.3	173.4	-44.5	-174.4	0	0	0	110.2	F15 G20 I129 F181 C186	F15-I18 HydrophobicContact CD1-CD1 3.68Å; F15-I18 HydrophobicContact CD1-CG1 4.49Å; F15-I18 HydrophobicContact CE1-CD1 3.87Å; F15-I18 PolarHBondContact O-N 2.57Å; F15-I18 VanDerWaalsContact O-N 3.08Å; I18-G20 PolarHBondContact O-N 3.19Å; I18-I129 HydrophobicContact CB-CD1 4.39Å; I18-I129 HydrophobicContact CG2-CD1 3.43Å; I18-I129 VanDerWaalsContact CG2-CD1 3.43Å; I18-F181 HydrophobicContact CD1-CB 3.62Å; I18-F181 HydrophobicContact CD1-CD2 4.03Å; I18-F181 HydrophobicContact CD1-CG 4.14Å; I18-F181 HydrophobicContact CG2-CD2 3.9Å; I18-F181 HydrophobicContact CG2-CE2 4.11Å; I18-C186 WeakPolarHBondContact CD1-SG 3.41Å; I18-C186 HydrophobicContact CG1-CB 4.07Å; I18-C186 WeakPolarHBondContact CG1-SG 3.39Å
19	I	45.2	Very low	50.1	Low	38 Å²	38	48.2 Å²	48.2	20%	0.195	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.6	-179.4	-57.3	-177	0	0	0	111.6	L16 K17 L133 Y139 C141 T143	L16-I19 HydrophobicContact CG-CD1 4.29Å; L16-I19 WeakPolarHBondContact O-CB 3.18Å; K17-I19 PolarHBondContact O-N 3Å; I19-L133 HydrophobicContact CD1-CD1 3.99Å; I19-L133 HydrophobicContact CD1-CD2 3.95Å; I19-Y139 HydrophobicContact CD1-CE1 3.97Å; I19-C141 HydrophobicContact CD1-CB 4.16Å; I19-T143 HydrophobicContact CB-CG2 4.27Å; I19-T143 HydrophobicContact CG1-CG2 4.45Å; I19-T143 HydrophobicContact CG2-CG2 3.91Å; I19-T143 PolarHBondContact O-OG1 3.33Å
20	G	44.7	Very low	52.5	Low	41 Å²	41	46.8 Å²	46.8	42%	0.423	26%	0.258	S	S	.	.	S	Bend	trans	-99.1	88.3	173.6	0	0	0	0	0	110.7	K17 I18	K17-G20 PolarHBondContact O-N 3.12Å; I18-G20 PolarHBondContact O-N 3.19Å
21	G	49.2	Very low	54.9	Low	14 Å²	14	40.8 Å²	40.8	14%	0.144	22%	0.22	C	C	.	.			trans	-52.4	157	163.8	0	0	0	0	0	110.8	E23 Y122	G21-E23 PolarHBondContact O-N 2.52Å; G21-Y122 WeakPolarHBondContact CA-O 3.25Å
22	V	51.9	Low	57.1	Low	14 Å²	14	42.6 Å²	42.6	9%	0.085	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.9	173.5	174.6	0	0	0	0	107.3	C24 L191 A195	V22-C24 PolarHBondContact O-N 3.22Å; V22-L191 HydrophobicContact CG2-CB 3.81Å; V22-A195 HydrophobicContact CB-CB 3.77Å; V22-A195 HydrophobicContact CG2-CB 4.16Å
23	E	56.6	Low	58.8	Low	62 Å²	62	40 Å²	40	29%	0.29	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	108.8	175.3	-68.8	-177	158	0	0	109.1	G21 R119 E120	G21-E23 PolarHBondContact O-N 2.52Å; E23-R119 HydrophobicContact CB-CB 4.05Å; E23-R119 HydrophobicContact CB-CG 4.24Å; E23-R119 HydrophobicContact CG-CB 4.01Å; E23-R119 HydrophobicContact CG-CG 4.48Å; E23-R119 WeakPolarHBondContact OE2-CD 3.42Å; E23-R119 IonicContact OE2-CZ 2.71Å; E23-R119 IonicContact OE2-NE 3.62Å; E23-R119 IonicContact OE2-NH1 3.67Å; E23-R119 PolarHBondContact OE2-NH1 2.64Å; E23-E120 VanDerWaalsContact CA-O 3.3Å; E23-E120 WeakPolarHBondContact CA-O 3.41Å
24	C	57.9	Low	60.3	Low	8 Å²	8	40.8 Å²	40.8	5%	0.054	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	145.6	170.6	-67	0	0	0	0	108.3	V22 A26 L65 E120 Y122 A199	V22-C24 PolarHBondContact O-N 3.22Å; C24-A26 PolarHBondContact O-N 2.82Å; C24-L65 HydrophobicContact CB-CD1 4.15Å; C24-L65 HydrophobicContact CB-CD2 3.65Å; C24-E120 PolarHBondContact N-O 3.13Å; C24-E120 PolarHBondContact O-N 2.98Å; C24-Y122 HydrophobicContact CB-CD2 3.65Å; C24-Y122 HydrophobicContact CB-CE2 3.7Å; C24-A199 HydrophobicContact CB-CB 4.08Å
25	R	62.6	Low	61.7	Low	69 Å²	69	44.6 Å²	44.6	26%	0.26	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118.4	176.5	-178.6	-177	-177.3	126.5	20.8	108.8	S27 L65 I85 E86 D88 S117	R25-S27 PolarHBondContact NE-OG 2.88Å; R25-L65 HydrophobicContact CB-CD2 4.49Å; R25-L65 WeakPolarHBondContact O-CD2 3.05Å; R25-I85 HydrophobicContact CG-CD1 4.32Å; R25-E86 PolarHBondContact NH1-O 3.08Å; R25-E86 PolarHBondContact NH2-O 2.7Å; R25-D88 IonicContact NH1-OD2 3.3Å; R25-D88 VanDerWaalsContact NH2-CB 3.27Å; R25-S117 VanDerWaalsContact NH2-CB 3.32Å; R25-S117 PolarHBondContact NH2-OG 3.27Å
26	A	66.7	Low	62.9	Low	7 Å²	7	49.4 Å²	49.4	6%	0.058	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.1	167.1	0	0	0	0	0	108.8	C24 S117 F118	C24-A26 PolarHBondContact O-N 2.82Å; A26-S117 CarbonylContact O-C 3.57Å; A26-S117 VanDerWaalsContact O-CA 3.27Å; A26-S117 WeakPolarHBondContact O-CA 3.3Å; A26-F118 HydrophobicContact CB-CD1 4.14Å; A26-F118 HydrophobicContact CB-CD2 4.27Å; A26-F118 HydrophobicContact CB-CE1 3.5Å; A26-F118 HydrophobicContact CB-CE2 3.72Å; A26-F118 HydrophobicContact CB-CG 4.48Å; A26-F118 HydrophobicContact CB-CZ 3.3Å; A26-F118 PolarHBondContact N-O 3.47Å; A26-F118 WeakPolarHBondContact O-CD1 3.44Å; A26-F118 PolarHBondContact O-N 3.13Å
27	S	65.3	Low	64.8	Low	12 Å²	12	51.3 Å²	51.3	8%	0.084	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141.1	-176.1	-65.4	0	0	0	0	110.2	R25 F92 S116 S117	R25-S27 PolarHBondContact NE-OG 2.88Å; S27-F92 VanDerWaalsContact CB-CD2 3.44Å; S27-F92 WeakPolarHBondContact O-CE2 3.49Å; S27-S116 VanDerWaalsContact CA-O 3.23Å; S27-S116 WeakPolarHBondContact CA-O 3.3Å; S27-S117 PolarHBondContact OG-OG 2.8Å
28	Y	74.8	Confident	66.9	Low	59 Å²	59	49.8 Å²	49.8	23%	0.231	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.6	172.7	55.5	-105.2	0	0	0	109.5	F30 V56 C57 S116 F118	Y28-F30 HydrophobicContact CD2-CD2 4.43Å; Y28-F30 AromaticContact CD2-CE2 3.92Å; Y28-F30 HydrophobicContact CD2-CE2 3.92Å; Y28-F30 HydrophobicContact CD2-CZ 4.11Å; Y28-F30 HydrophobicContact CE2-CD2 4.36Å; Y28-F30 HydrophobicContact CE2-CE1 4.42Å; Y28-F30 AromaticContact CE2-CE2 3.44Å; Y28-F30 HydrophobicContact CE2-CE2 3.44Å; Y28-F30 VanDerWaalsContact CE2-CE2 3.44Å; Y28-F30 AromaticContact CE2-CZ 3.47Å; Y28-F30 HydrophobicContact CE2-CZ 3.47Å; Y28-F30 VanDerWaalsContact CE2-CZ 3.47Å; Y28-V56 HydrophobicContact CD2-CG1 3.84Å; Y28-V56 HydrophobicContact CG-CG1 3.85Å; Y28-C57 CarbonylContact C-O 3.27Å; Y28-C57 VanDerWaalsContact CA-O 3.23Å; Y28-C57 WeakPolarHBondContact CA-O 3.36Å; Y28-C57 WeakPolarHBondContact CB-O 3.43Å; Y28-S116 PolarHBondContact N-O 2.69Å; Y28-S116 PolarHBondContact O-N 3.33Å; Y28-F118 HydrophobicContact CD1-CD1 4.33Å; Y28-F118 AromaticContact CD1-CE1 3.57Å; Y28-F118 HydrophobicContact CD1-CE1 3.57Å; Y28-F118 HydrophobicContact CD1-CZ 4.44Å; Y28-F118 AromaticContact CE1-CD1 3.74Å; Y28-F118 HydrophobicContact CE1-CD1 3.74Å; Y28-F118 AromaticContact CE1-CE1 3.21Å; Y28-F118 HydrophobicContact CE1-CE1 3.21Å; Y28-F118 HydrophobicContact CE1-CZ 4.06Å
29	F	79.2	Confident	68.8	Low	1 Å²	1	53.3 Å²	53.3	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	154.1	174.5	68.5	-79.9	0	0	0	111.6	V31 C57 F92 M97 L100 I107 I112 E114 L115	F29-V31 HydrophobicContact CD2-CG1 3.72Å; F29-V31 HydrophobicContact CE2-CG1 3.46Å; F29-V31 VanDerWaalsContact CE2-CG1 3.46Å; F29-C57 HydrophobicContact CD1-CB 3.87Å; F29-C57 WeakPolarHBondContact CD1-O 3.27Å; F29-C57 HydrophobicContact CD2-CB 4.29Å; F29-C57 HydrophobicContact CE1-CB 3.42Å; F29-C57 VanDerWaalsContact CE1-CB 3.42Å; F29-C57 HydrophobicContact CE2-CB 3.88Å; F29-C57 HydrophobicContact CG-CB 4.3Å; F29-C57 HydrophobicContact CZ-CB 3.43Å; F29-C57 VanDerWaalsContact CZ-CB 3.43Å; F29-C57 PolarHBondContact N-O 3.04Å; F29-C57 PolarHBondContact O-N 3.32Å; F29-F92 HydrophobicContact CD1-CD1 4.48Å; F29-F92 AromaticContact CD1-CE1 3.33Å; F29-F92 HydrophobicContact CD1-CE1 3.33Å; F29-F92 AromaticContact CD1-CZ 3.56Å; F29-F92 HydrophobicContact CD1-CZ 3.56Å; F29-F92 AromaticContact CE1-CE1 3.63Å; F29-F92 HydrophobicContact CE1-CE1 3.63Å; F29-F92 AromaticContact CE1-CZ 3.88Å; F29-F92 HydrophobicContact CE1-CZ 3.88Å; F29-F92 HydrophobicContact CG-CE1 4.47Å; F29-M97 HydrophobicContact CD1-SD 4.13Å; F29-M97 HydrophobicContact CE1-CE 4.33Å; F29-M97 HydrophobicContact CE1-SD 3.36Å; F29-M97 WeakPolarHBondContact CE1-SD 3.32Å; F29-M97 HydrophobicContact CZ-CE 4.01Å; F29-M97 HydrophobicContact CZ-SD 3.61Å; F29-L100 HydrophobicContact CE1-CD1 3.5Å; F29-L100 VanDerWaalsContact CE1-CD1 3.5Å; F29-L100 HydrophobicContact CZ-CD1 3.89Å; F29-I107 HydrophobicContact CE2-CG2 4.27Å; F29-I107 HydrophobicContact CZ-CG2 4.35Å; F29-I112 HydrophobicContact CB-CG2 3.82Å; F29-I112 HydrophobicContact CD2-CB 4.28Å; F29-I112 HydrophobicContact CD2-CD1 4.03Å; F29-I112 HydrophobicContact CD2-CG1 3.75Å; F29-I112 HydrophobicContact CD2-CG2 3.69Å; F29-I112 HydrophobicContact CE2-CD1 4.12Å; F29-I112 HydrophobicContact CE2-CG1 3.95Å; F29-I112 HydrophobicContact CG-CG2 4.12Å; F29-E114 CarbonylContact C-O 3.18Å; F29-E114 WeakPolarHBondContact CA-O 3.26Å; F29-E114 VanDerWaalsContact CB-O 3.26Å; F29-E114 WeakPolarHBondContact CB-O 3.18Å; F29-L115 HydrophobicContact CB-CD1 4.17Å
30	F	80.1	Confident	70.7	Confident	25 Å²	25	55.9 Å²	55.9	11%	0.11	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.7	176.2	-62.3	-92.9	0	0	0	110	Y28 E51 Y54 L55 V56 I112 K113 E114	Y28-F30 HydrophobicContact CD2-CD2 4.43Å; Y28-F30 AromaticContact CD2-CE2 3.92Å; Y28-F30 HydrophobicContact CD2-CE2 3.92Å; Y28-F30 HydrophobicContact CD2-CZ 4.11Å; Y28-F30 HydrophobicContact CE2-CD2 4.36Å; Y28-F30 HydrophobicContact CE2-CE1 4.42Å; Y28-F30 AromaticContact CE2-CE2 3.44Å; Y28-F30 HydrophobicContact CE2-CE2 3.44Å; Y28-F30 VanDerWaalsContact CE2-CE2 3.44Å; Y28-F30 AromaticContact CE2-CZ 3.47Å; Y28-F30 HydrophobicContact CE2-CZ 3.47Å; Y28-F30 VanDerWaalsContact CE2-CZ 3.47Å; F30-E51 HydrophobicContact CE1-CB 4.4Å; F30-E51 HydrophobicContact CE1-CG 4.14Å; F30-Y54 HydrophobicContact CB-CD1 4.25Å; F30-Y54 HydrophobicContact CB-CG 4.37Å; F30-L55 VanDerWaalsContact CA-O 3.31Å; F30-L55 WeakPolarHBondContact CA-O 3.1Å; F30-V56 HydrophobicContact CD1-CG2 3.63Å; F30-V56 HydrophobicContact CE1-CG2 3.32Å; F30-V56 HydrophobicContact CZ-CG2 4.17Å; F30-I112 CarbonylContact O-C 3.56Å; F30-I112 WeakPolarHBondContact O-CA 3.44Å; F30-K113 HydrophobicContact CB-CB 4.15Å; F30-K113 HydrophobicContact CB-CD 4.37Å; F30-K113 PolarHBondContact O-N 3.2Å; F30-E114 HydrophobicContact CD2-CG 3.59Å; F30-E114 HydrophobicContact CE2-CG 4.1Å; F30-E114 PolarHBondContact N-O 3.48Å
31	V	81	Confident	72.6	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	149.8	166.5	-70.2	0	0	0	0	109.9	F29 G33 Y54 L55 I107 L110 E111 I112	F29-V31 HydrophobicContact CD2-CG1 3.72Å; F29-V31 HydrophobicContact CE2-CG1 3.46Å; F29-V31 VanDerWaalsContact CE2-CG1 3.46Å; V31-G33 PolarHBondContact O-N 2.86Å; V31-Y54 CarbonylContact O-C 3.56Å; V31-Y54 WeakPolarHBondContact O-CA 3.2Å; V31-Y54 WeakPolarHBondContact O-CB 3.24Å; V31-L55 HydrophobicContact CG2-CB 3.68Å; V31-L55 HydrophobicContact CG2-CD1 4.15Å; V31-L55 HydrophobicContact CG2-CG 4.22Å; V31-L55 PolarHBondContact N-O 3.39Å; V31-L55 PolarHBondContact O-N 3.23Å; V31-I107 HydrophobicContact CG1-CG2 4.09Å; V31-I107 HydrophobicContact CG2-CG2 3.96Å; V31-L110 HydrophobicContact CB-CB 3.75Å; V31-L110 HydrophobicContact CB-CD1 4.03Å; V31-L110 HydrophobicContact CG1-CB 4.04Å; V31-L110 HydrophobicContact CG2-CB 4.42Å; V31-L110 HydrophobicContact CG2-CD1 3.8Å; V31-E111 WeakPolarHBondContact CA-O 3.41Å; V31-I112 HydrophobicContact CG1-CG1 4.05Å
32	R	79.7	Confident	74.1	Confident	169 Å²	169	57 Å²	57	64%	0.638	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.2	178.1	-153.2	177.6	-163.6	171.1	2.8	110.3	Y54 E111	R32-Y54 HydrophobicContact CB-CD1 4.5Å; R32-Y54 HydrophobicContact CB-CE1 4.46Å; R32-Y54 HydrophobicContact CG-CE1 4.29Å; R32-E111 PolarHBondContact N-O 3.47Å
33	G	75.5	Confident	75.3	Confident	26 Å²	26	63.8 Å²	63.8	27%	0.268	34%	0.336	S	S	.	.			trans	163.3	169.1	-177.7	0	0	0	0	0	111	V31 D53 Y54	V31-G33 PolarHBondContact O-N 2.86Å; G33-D53 PolarHBondContact N-O 3.37Å; G33-D53 CarbonylContact O-C 3.42Å; G33-Y54 CarbonylContact O-C 3.56Å; G33-Y54 VanDerWaalsContact O-CA 3.24Å; G33-Y54 WeakPolarHBondContact O-CA 3.22Å; G33-Y54 PolarHBondContact O-N 2.88Å; G33-Y54 VanDerWaalsContact O-N 3.12Å
34	S	72.1	Confident	76.4	Confident	93 Å²	93	61.8 Å²	61.8	65%	0.65	33%	0.329	S	S	*	.			trans	-134.5	147.5	170.2	67.6	0	0	0	0	111.2	D50	S34-D50 WeakPolarHBondContact CA-OD1 3.07Å
35	F	72	Confident	77.3	Confident	93 Å²	93	61.7 Å²	61.7	41%	0.408	33%	0.328	S	S	.	.			trans	-137.7	150.8	175.5	-147.4	-89.1	0	0	0	110.9	E37 F39 D50 L55	F35-E37 HydrophobicContact CD1-CB 4.3Å; F35-E37 WeakPolarHBondContact CD1-O 3.49Å; F35-E37 HydrophobicContact CE1-CB 4.36Å; F35-F39 HydrophobicContact CD1-CD2 4.29Å; F35-F39 AromaticContact CD1-CE2 3.44Å; F35-F39 HydrophobicContact CD1-CE2 3.44Å; F35-F39 VanDerWaalsContact CD1-CE2 3.44Å; F35-F39 HydrophobicContact CD1-CZ 4.12Å; F35-F39 HydrophobicContact CE1-CD2 4.24Å; F35-F39 AromaticContact CE1-CE2 3.04Å; F35-F39 HydrophobicContact CE1-CE2 3.04Å; F35-F39 AromaticContact CE1-CZ 3.3Å; F35-F39 HydrophobicContact CE1-CZ 3.3Å; F35-F39 HydrophobicContact CE2-CE2 4.21Å; F35-F39 HydrophobicContact CG-CE2 4.24Å; F35-F39 AromaticContact CZ-CE2 3.46Å; F35-F39 HydrophobicContact CZ-CE2 3.46Å; F35-F39 VanDerWaalsContact CZ-CE2 3.46Å; F35-F39 AromaticContact CZ-CZ 3.67Å; F35-F39 HydrophobicContact CZ-CZ 3.67Å; F35-D50 PolarHBondContact N-OD1 3.11Å; F35-D50 VanDerWaalsContact O-CB 3.27Å; F35-D50 WeakPolarHBondContact O-CB 3.44Å; F35-L55 HydrophobicContact CB-CD2 3.64Å
36	S	72.1	Confident	78.3	Confident	110 Å²	110	58.4 Å²	58.4	77%	0.769	32%	0.316	S	S	*	.	S	Bend	trans	-81.7	-14.6	-177.2	55.3	0	0	0	0	114.4
37	E	81.8	Confident	79.2	Confident	122 Å²	122	60.5 Å²	60.5	57%	0.57	32%	0.322	S	S	*	.	S	Bend	trans	-142.4	149.6	-168.5	-63.7	-176	171.3	0	0	111.1	F35	F35-E37 HydrophobicContact CD1-CB 4.3Å; F35-E37 WeakPolarHBondContact CD1-O 3.49Å; F35-E37 HydrophobicContact CE1-CB 4.36Å
38	A	87.1	Confident	80.4	Confident	80 Å²	80	60.1 Å²	60.1	66%	0.661	32%	0.32	S	S	*	.			trans	-87.6	133.9	169.7	0	0	0	0	0	110.1	V48 A49	A38-V48 CarbonylContact C-O 3.59Å; A38-V48 WeakPolarHBondContact CA-O 3.3Å; A38-A49 HydrophobicContact CB-CB 3.99Å
39	F	88.6	Confident	81	Confident	76 Å²	76	58.7 Å²	58.7	33%	0.333	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.3	174.8	-64.8	-76.5	0	0	0	111.7	F35 Y47 V48 F104	F35-F39 HydrophobicContact CD1-CD2 4.29Å; F35-F39 AromaticContact CD1-CE2 3.44Å; F35-F39 HydrophobicContact CD1-CE2 3.44Å; F35-F39 VanDerWaalsContact CD1-CE2 3.44Å; F35-F39 HydrophobicContact CD1-CZ 4.12Å; F35-F39 HydrophobicContact CE1-CD2 4.24Å; F35-F39 AromaticContact CE1-CE2 3.04Å; F35-F39 HydrophobicContact CE1-CE2 3.04Å; F35-F39 AromaticContact CE1-CZ 3.3Å; F35-F39 HydrophobicContact CE1-CZ 3.3Å; F35-F39 HydrophobicContact CE2-CE2 4.21Å; F35-F39 HydrophobicContact CG-CE2 4.24Å; F35-F39 AromaticContact CZ-CE2 3.46Å; F35-F39 HydrophobicContact CZ-CE2 3.46Å; F35-F39 VanDerWaalsContact CZ-CE2 3.46Å; F35-F39 AromaticContact CZ-CZ 3.67Å; F35-F39 HydrophobicContact CZ-CZ 3.67Å; F39-Y47 CarbonylContact O-C 3.58Å; F39-Y47 WeakPolarHBondContact O-CA 3.48Å; F39-Y47 VanDerWaalsContact O-CB 3.31Å; F39-Y47 WeakPolarHBondContact O-CB 3.32Å; F39-V48 PolarHBondContact N-O 3.01Å; F39-V48 PolarHBondContact O-N 3.25Å; F39-F104 HydrophobicContact CB-CE1 4.17Å; F39-F104 HydrophobicContact CB-CZ 3.85Å; F39-F104 HydrophobicContact CD2-CE1 4.16Å; F39-F104 HydrophobicContact CG-CE1 4.21Å; F39-F104 HydrophobicContact CG-CZ 4.38Å
40	H	85.6	Confident	81.2	Confident	93 Å²	93	62 Å²	62	43%	0.431	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	111.3	168.4	-159.5	169.8	0	0	0	108.4	I42 V46 S203	H40-I42 PolarHBondContact O-N 3.19Å; H40-V46 PolarHBondContact CD2-O 3.28Å; H40-S203 PolarHBondContact CE1-OG 3.05Å; H40-S203 VanDerWaalsContact CE1-OG 3.3Å; H40-S203 WeakPolarHBondContact NE2-CB 3.3Å; H40-S203 PolarHBondContact NE2-OG 3.37Å
41	D	85.6	Confident	81.1	Confident	23 Å²	23	65.9 Å²	65.9	12%	0.123	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	99.3	167.2	-179.6	-6.9	0	0	0	107.9	D43 S44 N45 V46 R103	D41-D43 PolarHBondContact OD1-N 3.18Å; D41-S44 VanDerWaalsContact CG-CB 3.41Å; D41-S44 PolarHBondContact OD1-N 3.27Å; D41-S44 WeakPolarHBondContact OD2-CB 3.43Å; D41-S44 PolarHBondContact OD2-OG 3.05Å; D41-N45 WeakPolarHBondContact O-CA 3.38Å; D41-N45 PolarHBondContact O-N 2.75Å; D41-V46 HydrophobicContact CB-CG2 3.9Å; D41-V46 PolarHBondContact N-O 2.97Å; D41-V46 PolarHBondContact O-N 3.12Å; D41-R103 HydrophobicContact CB-CG 4.28Å; D41-R103 WeakPolarHBondContact OD2-CG 3.33Å
42	I	79.5	Confident	81	Confident	54 Å²	54	72.1 Å²	72.1	28%	0.277	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-38.4	-175.8	-66.2	170.6	0	0	0	111.2	H40 S44 N45 S203 F205	H40-I42 PolarHBondContact O-N 3.19Å; I42-S44 VanDerWaalsContact C-N 3.29Å; I42-S44 PolarHBondContact O-N 3.28Å; I42-N45 PolarHBondContact O-N 2.93Å; I42-S203 VanDerWaalsContact CG2-O 3.24Å; I42-S203 WeakPolarHBondContact CG2-O 3.39Å; I42-F205 HydrophobicContact CB-CD2 4.49Å; I42-F205 HydrophobicContact CD1-CD2 4.01Å; I42-F205 HydrophobicContact CD1-CE2 3.32Å; I42-F205 HydrophobicContact CD1-CZ 4.02Å; I42-F205 HydrophobicContact CG1-CE2 4.44Å; I42-F205 HydrophobicContact CG2-CD2 3.52Å; I42-F205 HydrophobicContact CG2-CE2 4.01Å; I42-F205 HydrophobicContact CG2-CG 4.45Å
43	D	77.5	Confident	81.1	Confident	157 Å²	157	69.7 Å²	69.7	84%	0.84	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-38.4	179.9	-66.3	-23.8	0	0	0	111.2	D41	D41-D43 PolarHBondContact OD1-N 3.18Å
44	S	78.9	Confident	81.6	Confident	20 Å²	20	71 Å²	71	14%	0.14	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-11.4	178.3	-60.2	0	0	0	0	113.8	D41 I42 V46	D41-S44 VanDerWaalsContact CG-CB 3.41Å; D41-S44 PolarHBondContact OD1-N 3.27Å; D41-S44 WeakPolarHBondContact OD2-CB 3.43Å; D41-S44 PolarHBondContact OD2-OG 3.05Å; I42-S44 VanDerWaalsContact C-N 3.29Å; I42-S44 PolarHBondContact O-N 3.28Å; S44-V46 VanDerWaalsContact C-N 3.34Å
45	N	77.1	Confident	82.3	Confident	6 Å²	6	67.2 Å²	67.2	3%	0.032	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	45	-174.4	-164.7	-11.6	0	0	0	112.6	D41 I42 G59 F60 S203	D41-N45 WeakPolarHBondContact O-CA 3.38Å; D41-N45 PolarHBondContact O-N 2.75Å; I42-N45 PolarHBondContact O-N 2.93Å; N45-G59 CarbonylContact O-C 3.45Å; N45-G59 WeakPolarHBondContact O-CA 3.48Å; N45-F60 PolarHBondContact ND2-O 2.98Å; N45-F60 PolarHBondContact O-N 3.14Å; N45-F60 WeakPolarHBondContact OD1-CB 3.5Å; N45-F60 WeakPolarHBondContact OD1-CD2 3.43Å; N45-S203 WeakPolarHBondContact OD1-CB 3.36Å; N45-S203 PolarHBondContact OD1-OG 2.92Å
46	V	83.8	Confident	83	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.3	177.2	-58	0	0	0	0	111	H40 D41 S44 G58 I96 K99 L100 F104	H40-V46 PolarHBondContact CD2-O 3.28Å; D41-V46 HydrophobicContact CB-CG2 3.9Å; D41-V46 PolarHBondContact N-O 2.97Å; D41-V46 PolarHBondContact O-N 3.12Å; S44-V46 VanDerWaalsContact C-N 3.34Å; V46-G58 CarbonylContact C-O 3.56Å; V46-G58 VanDerWaalsContact CA-O 3.28Å; V46-G58 WeakPolarHBondContact CA-O 3.32Å; V46-G58 WeakPolarHBondContact CB-O 3.47Å; V46-I96 HydrophobicContact CG1-CG2 3.99Å; V46-K99 HydrophobicContact CG1-CB 3.76Å; V46-K99 HydrophobicContact CG2-CB 4.49Å; V46-L100 HydrophobicContact CB-CD2 3.84Å; V46-L100 HydrophobicContact CB-CG 4.1Å; V46-L100 HydrophobicContact CG1-CD2 4.5Å; V46-L100 HydrophobicContact CG1-CG 4.21Å; V46-L100 HydrophobicContact CG2-CD2 3.88Å; V46-L100 HydrophobicContact CG2-CG 4.32Å; V46-F104 HydrophobicContact CG2-CE2 4.43Å
47	Y	86.3	Confident	83.8	Confident	51 Å²	51	58.3 Å²	58.3	20%	0.2	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.7	179.6	63.7	-93.4	0	0	0	111.4	F39 V56 C57 G58 F60	F39-Y47 CarbonylContact O-C 3.58Å; F39-Y47 WeakPolarHBondContact O-CA 3.48Å; F39-Y47 VanDerWaalsContact O-CB 3.31Å; F39-Y47 WeakPolarHBondContact O-CB 3.32Å; Y47-V56 HydrophobicContact CE2-CG1 4.1Å; Y47-C57 WeakPolarHBondContact O-CA 3.17Å; Y47-G58 PolarHBondContact N-O 3.33Å; Y47-G58 PolarHBondContact O-N 3.13Å; Y47-F60 HydrophobicContact CD1-CE2 4.31Å; Y47-F60 AromaticContact CE1-CE2 3.89Å; Y47-F60 HydrophobicContact CE1-CE2 3.89Å; Y47-F60 HydrophobicContact CE1-CZ 4.4Å
48	V	89.3	Confident	83.9	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.03	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.6	173.9	-179.6	0	0	0	0	107.5	A38 F39 L55 V56 L100 F104 I107	A38-V48 CarbonylContact C-O 3.59Å; A38-V48 WeakPolarHBondContact CA-O 3.3Å; F39-V48 PolarHBondContact N-O 3.01Å; F39-V48 PolarHBondContact O-N 3.25Å; V48-L55 HydrophobicContact CG1-CB 4.09Å; V48-L55 HydrophobicContact CG1-CD1 4.35Å; V48-V56 CarbonylContact C-O 3.46Å; V48-V56 VanDerWaalsContact CA-O 3.26Å; V48-V56 WeakPolarHBondContact CA-O 3.17Å; V48-L100 HydrophobicContact CG2-CD2 3.87Å; V48-F104 HydrophobicContact CB-CZ 4.39Å; V48-F104 HydrophobicContact CG2-CD1 4.41Å; V48-F104 HydrophobicContact CG2-CD2 3.69Å; V48-F104 HydrophobicContact CG2-CE1 4.33Å; V48-F104 HydrophobicContact CG2-CE2 3.6Å; V48-F104 HydrophobicContact CG2-CG 4.11Å; V48-F104 HydrophobicContact CG2-CZ 3.93Å; V48-I107 HydrophobicContact CB-CD1 4.43Å; V48-I107 HydrophobicContact CG1-CD1 3.9Å; V48-I107 HydrophobicContact CG2-CD1 3.67Å
49	A	87.4	Confident	83.4	Confident	29 Å²	29	49.1 Å²	49.1	24%	0.24	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.1	179	0	0	0	0	0	110.8	A38 L55 V56	A38-A49 HydrophobicContact CB-CB 3.99Å; A49-L55 CarbonylContact O-C 3.21Å; A49-L55 WeakPolarHBondContact O-CA 3.11Å; A49-V56 PolarHBondContact N-O 3.13Å; A49-V56 PolarHBondContact O-N 2.99Å
50	D	84.8	Confident	82.6	Confident	69 Å²	69	47.5 Å²	47.5	37%	0.369	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	138.2	176.8	-164.5	60.7	0	0	0	111.1	S34 F35	S34-D50 WeakPolarHBondContact CA-OD1 3.07Å; F35-D50 PolarHBondContact N-OD1 3.11Å; F35-D50 VanDerWaalsContact O-CB 3.27Å; F35-D50 WeakPolarHBondContact O-CB 3.44Å
51	E	77.8	Confident	81.7	Confident	107 Å²	107	45.1 Å²	45.1	50%	0.5	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	100.4	172.9	-178.6	71.6	-139.9	0	0	108	F30 D53 Y54 V56	F30-E51 HydrophobicContact CE1-CB 4.4Å; F30-E51 HydrophobicContact CE1-CG 4.14Å; E51-D53 PolarHBondContact O-N 2.89Å; E51-Y54 CarbonylContact C-O 3.58Å; E51-Y54 PolarHBondContact N-O 3.34Å; E51-Y54 CarbonylContact O-C 3.48Å; E51-Y54 WeakPolarHBondContact O-CA 3.22Å; E51-Y54 WeakPolarHBondContact O-CB 3.21Å; E51-Y54 PolarHBondContact O-N 3.4Å; E51-V56 HydrophobicContact CB-CG2 3.73Å; E51-V56 HydrophobicContact CG-CG2 4.41Å
52	I	79.5	Confident	80.3	Confident	132 Å²	132	46.8 Å²	46.8	68%	0.677	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	11.6	98.3	178.3	-52.2	178.8	0	0	0	114.3	Y54	I52-Y54 WeakPolarHBondContact O-CD2 3.49Å; I52-Y54 PolarHBondContact O-N 3.32Å
53	D	81	Confident	79	Confident	117 Å²	117	49.3 Å²	49.3	63%	0.626	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	0.6	-178.1	-54.9	-43.6	0	0	0	116.2	G33 E51	G33-D53 PolarHBondContact N-O 3.37Å; G33-D53 CarbonylContact O-C 3.42Å; E51-D53 PolarHBondContact O-N 2.89Å
54	Y	85.9	Confident	77.6	Confident	54 Å²	54	43.7 Å²	43.7	21%	0.212	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157	176.3	-58.9	-81.9	0	0	0	112.7	F30 V31 R32 G33 E51 I52 K113	F30-Y54 HydrophobicContact CB-CD1 4.25Å; F30-Y54 HydrophobicContact CB-CG 4.37Å; V31-Y54 CarbonylContact O-C 3.56Å; V31-Y54 WeakPolarHBondContact O-CA 3.2Å; V31-Y54 WeakPolarHBondContact O-CB 3.24Å; R32-Y54 HydrophobicContact CB-CD1 4.5Å; R32-Y54 HydrophobicContact CB-CE1 4.46Å; R32-Y54 HydrophobicContact CG-CE1 4.29Å; G33-Y54 CarbonylContact O-C 3.56Å; G33-Y54 VanDerWaalsContact O-CA 3.24Å; G33-Y54 WeakPolarHBondContact O-CA 3.22Å; G33-Y54 PolarHBondContact O-N 2.88Å; G33-Y54 VanDerWaalsContact O-N 3.12Å; E51-Y54 CarbonylContact C-O 3.58Å; E51-Y54 PolarHBondContact N-O 3.34Å; E51-Y54 CarbonylContact O-C 3.48Å; E51-Y54 WeakPolarHBondContact O-CA 3.22Å; E51-Y54 WeakPolarHBondContact O-CB 3.21Å; E51-Y54 PolarHBondContact O-N 3.4Å; I52-Y54 WeakPolarHBondContact O-CD2 3.49Å; I52-Y54 PolarHBondContact O-N 3.32Å; Y54-K113 HydrophobicContact CD1-CB 4.39Å; Y54-K113 HydrophobicContact CD1-CD 4.06Å; Y54-K113 HydrophobicContact CE1-CB 4.05Å; Y54-K113 HydrophobicContact CE1-CD 3.52Å; Y54-K113 HydrophobicContact CE1-CG 4.07Å; Y54-K113 HydrophobicContact CE2-CD 4.2Å; Y54-K113 VanDerWaalsContact CZ-NZ 3.3Å; Y54-K113 VanDerWaalsContact OH-CE 3.29Å; Y54-K113 WeakPolarHBondContact OH-CE 3.12Å; Y54-K113 PolarHBondContact OH-NZ 3.38Å
55	L	86.4	Confident	76.3	Confident	13 Å²	13	44.2 Å²	44.2	7%	0.068	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.8	161.7	-49.1	172.1	0	0	0	109.2	F30 V31 F35 V48 A49 L110	F30-L55 VanDerWaalsContact CA-O 3.31Å; F30-L55 WeakPolarHBondContact CA-O 3.1Å; V31-L55 HydrophobicContact CG2-CB 3.68Å; V31-L55 HydrophobicContact CG2-CD1 4.15Å; V31-L55 HydrophobicContact CG2-CG 4.22Å; V31-L55 PolarHBondContact N-O 3.39Å; V31-L55 PolarHBondContact O-N 3.23Å; F35-L55 HydrophobicContact CB-CD2 3.64Å; V48-L55 HydrophobicContact CG1-CB 4.09Å; V48-L55 HydrophobicContact CG1-CD1 4.35Å; A49-L55 CarbonylContact O-C 3.21Å; A49-L55 WeakPolarHBondContact O-CA 3.11Å; L55-L110 HydrophobicContact CD1-CD1 4.49Å
56	V	88.1	Confident	74.8	Confident	17 Å²	17	52.7 Å²	52.7	10%	0.103	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	118.8	167.9	175.4	0	0	0	0	108.7	Y28 F30 Y47 V48 A49 E51	Y28-V56 HydrophobicContact CD2-CG1 3.84Å; Y28-V56 HydrophobicContact CG-CG1 3.85Å; F30-V56 HydrophobicContact CD1-CG2 3.63Å; F30-V56 HydrophobicContact CE1-CG2 3.32Å; F30-V56 HydrophobicContact CZ-CG2 4.17Å; Y47-V56 HydrophobicContact CE2-CG1 4.1Å; V48-V56 CarbonylContact C-O 3.46Å; V48-V56 VanDerWaalsContact CA-O 3.26Å; V48-V56 WeakPolarHBondContact CA-O 3.17Å; A49-V56 PolarHBondContact N-O 3.13Å; A49-V56 PolarHBondContact O-N 2.99Å; E51-V56 HydrophobicContact CB-CG2 3.73Å; E51-V56 HydrophobicContact CG-CG2 4.41Å
57	C	87.5	Confident	72.9	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.5	177.7	-58.8	0	0	0	0	109.6	Y28 F29 Y47 L100	Y28-C57 CarbonylContact C-O 3.27Å; Y28-C57 VanDerWaalsContact CA-O 3.23Å; Y28-C57 WeakPolarHBondContact CA-O 3.36Å; Y28-C57 WeakPolarHBondContact CB-O 3.43Å; F29-C57 HydrophobicContact CD1-CB 3.87Å; F29-C57 WeakPolarHBondContact CD1-O 3.27Å; F29-C57 HydrophobicContact CD2-CB 4.29Å; F29-C57 HydrophobicContact CE1-CB 3.42Å; F29-C57 VanDerWaalsContact CE1-CB 3.42Å; F29-C57 HydrophobicContact CE2-CB 3.88Å; F29-C57 HydrophobicContact CG-CB 4.3Å; F29-C57 HydrophobicContact CZ-CB 3.43Å; F29-C57 VanDerWaalsContact CZ-CB 3.43Å; F29-C57 PolarHBondContact N-O 3.04Å; F29-C57 PolarHBondContact O-N 3.32Å; Y47-C57 WeakPolarHBondContact O-CA 3.17Å; C57-L100 HydrophobicContact CB-CD1 3.97Å
58	G	84	Confident	70.7	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	176.2	-176.9	0	0	0	0	0	113.1	V46 Y47	V46-G58 CarbonylContact C-O 3.56Å; V46-G58 VanDerWaalsContact CA-O 3.28Å; V46-G58 WeakPolarHBondContact CA-O 3.32Å; V46-G58 WeakPolarHBondContact CB-O 3.47Å; Y47-G58 PolarHBondContact N-O 3.33Å; Y47-G58 PolarHBondContact O-N 3.13Å
59	G	77.9	Confident	68.3	Low	8 Å²	8	63.3 Å²	63.3	8%	0.082	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	165.6	176.6	0	0	0	0	0	112.1	N45 I96	N45-G59 CarbonylContact O-C 3.45Å; N45-G59 WeakPolarHBondContact O-CA 3.48Å; G59-I96 VanDerWaalsContact O-CD1 3.27Å; G59-I96 WeakPolarHBondContact O-CD1 3.44Å
60	F	71.8	Confident	66	Low	43 Å²	43	66.9 Å²	66.9	19%	0.189	34%	0.342	C	S	.	.			trans	-116.6	113.1	178.6	-55.8	-92	0	0	0	109.1	N45 Y47 S203	N45-F60 PolarHBondContact ND2-O 2.98Å; N45-F60 PolarHBondContact O-N 3.14Å; N45-F60 WeakPolarHBondContact OD1-CB 3.5Å; N45-F60 WeakPolarHBondContact OD1-CD2 3.43Å; Y47-F60 HydrophobicContact CD1-CE2 4.31Å; Y47-F60 AromaticContact CE1-CE2 3.89Å; Y47-F60 HydrophobicContact CE1-CE2 3.89Å; Y47-F60 HydrophobicContact CE1-CZ 4.4Å; F60-S203 WeakPolarHBondContact CD2-OG 3.43Å
61	H	64.9	Low	63.8	Low	42 Å²	42	69.9 Å²	69.9	19%	0.194	35%	0.354	C	S	.	.			trans	-92	120.6	172.2	179	-118.1	0	0	0	109.9	R63 A64 Y95 I96	H61-R63 VanDerWaalsContact CE1-CB 3.45Å; H61-R63 WeakPolarHBondContact CE1-CB 3.38Å; H61-R63 PolarHBondContact O-N 3.4Å; H61-A64 HydrophobicContact CB-CB 3.66Å; H61-A64 PolarHBondContact ND1-N 3.08Å; H61-A64 PolarHBondContact O-N 3.25Å; H61-Y95 HydrophobicContact CB-CD1 3.98Å; H61-Y95 HydrophobicContact CB-CG 4.46Å; H61-Y95 AromaticContact CD2-CD1 3.34Å; H61-Y95 WeakPolarHBondContact CD2-CD1 3.46Å; H61-Y95 AromaticContact CD2-CD2 3.61Å; H61-Y95 AromaticContact CD2-CE1 3.88Å; H61-Y95 AromaticContact CD2-CG 3.18Å; H61-Y95 AromaticContact CG-CD1 3.97Å; H61-Y95 AromaticContact NE2-CD2 3.84Å; H61-Y95 AromaticContact NE2-CG 3.77Å; H61-I96 HydrophobicContact CB-CD1 4.48Å; H61-I96 HydrophobicContact CB-CG1 4.4Å
62	I	56.4	Low	62.1	Low	59 Å²	59	70.5 Å²	70.5	30%	0.303	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.6	-176	-159	160.5	0	0	0	113.5	P270	I62-P270 HydrophobicContact CD1-CB 4.27Å; I62-P270 HydrophobicContact CD1-CG 4.18Å
63	R	52.8	Low	60.4	Low	107 Å²	107	67.3 Å²	67.3	40%	0.404	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-9.8	176.1	-45.5	177.5	174.2	166.1	3.5	114.6	H61 L65 K66 L267 G268	H61-R63 VanDerWaalsContact CE1-CB 3.45Å; H61-R63 WeakPolarHBondContact CE1-CB 3.38Å; H61-R63 PolarHBondContact O-N 3.4Å; R63-L65 PolarHBondContact O-N 3.48Å; R63-K66 PolarHBondContact O-N 3.23Å; R63-L267 PolarHBondContact NH2-O 3.39Å; R63-G268 PolarHBondContact NE-O 3.23Å; R63-G268 PolarHBondContact NH2-O 3.02Å
64	A	49	Very low	58.3	Low	38 Å²	38	65.1 Å²	65.1	31%	0.314	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.1	-178.1	0	0	0	0	0	112.1	H61 K66	H61-A64 HydrophobicContact CB-CB 3.66Å; H61-A64 PolarHBondContact ND1-N 3.08Å; H61-A64 PolarHBondContact O-N 3.25Å; A64-K66 PolarHBondContact O-N 3.42Å
65	L	51.7	Low	55.9	Low	32 Å²	32	68.6 Å²	68.6	17%	0.168	35%	0.348	C	S	.	.			trans	-83.8	37.5	172.8	-61.5	175.6	0	0	0	112.6	C24 R25 R63 K67 A196 A199	C24-L65 HydrophobicContact CB-CD1 4.15Å; C24-L65 HydrophobicContact CB-CD2 3.65Å; R25-L65 HydrophobicContact CB-CD2 4.49Å; R25-L65 WeakPolarHBondContact O-CD2 3.05Å; R63-L65 PolarHBondContact O-N 3.48Å; L65-K67 PolarHBondContact O-N 3.36Å; L65-K67 VanDerWaalsContact O-N 3.08Å; L65-A196 HydrophobicContact CB-CB 4.45Å; L65-A199 HydrophobicContact CD1-CB 3.21Å
66	K	44.6	Very low	53.9	Low	184 Å²	184	76.6 Å²	76.6	80%	0.8	39%	0.389	S	S	*	.			trans	-65.1	109.7	170.4	-97.3	-178.7	178.2	178.6	0	108.9	R63 A64 S68	R63-K66 PolarHBondContact O-N 3.23Å; A64-K66 PolarHBondContact O-N 3.42Å; K66-S68 PolarHBondContact O-N 3.01Å
67	K	43.2	Very low	51.5	Low	190 Å²	190	82.5 Å²	82.5	83%	0.826	42%	0.415	S	S	*	.			trans	34.3	84.1	165	-72.6	-178.9	176.9	177.2	0	113.2	L65 S69	L65-K67 PolarHBondContact O-N 3.36Å; L65-K67 VanDerWaalsContact O-N 3.08Å; K67-S69 PolarHBondContact O-N 3.48Å
68	S	40.7	Very low	49.2	Very low	51 Å²	51	88 Å²	88	36%	0.357	45%	0.452	S	S	.	.			trans	-56	103.7	138.2	176.1	0	0	0	0	105.2	K66 Y72	K66-S68 PolarHBondContact O-N 3.01Å; S68-Y72 VanDerWaalsContact OG-CD2 3.27Å; S68-Y72 WeakPolarHBondContact OG-CD2 3.42Å
69	S	38.9	Very low	47.5	Very low	38 Å²	38	92.7 Å²	92.7	27%	0.266	48%	0.475	S	S	.	.			trans	-55.8	152.7	-170.2	45.3	0	0	0	0	109.5	K67 Q71 Y72	K67-S69 PolarHBondContact O-N 3.48Å; S69-Q71 PolarHBondContact O-N 3.47Å; S69-Q71 PolarHBondContact OG-OE1 2.79Å; S69-Y72 WeakPolarHBondContact O-CD2 3.39Å; S69-Y72 PolarHBondContact O-N 2.87Å; S69-Y72 WeakPolarHBondContact OG-CE2 3.4Å
70	S	38.9	Very low	45.9	Very low	103 Å²	103	97.6 Å²	97.6	72%	0.72	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-5.2	169.3	49.7	0	0	0	0	115.3
71	Q	38.6	Very low	44.5	Very low	133 Å²	133	104 Å²	104	62%	0.621	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.3	176.6	-75.4	172.2	-33.7	0	0	114.3	S69 S74	S69-Q71 PolarHBondContact O-N 3.47Å; S69-Q71 PolarHBondContact OG-OE1 2.79Å; Q71-S74 PolarHBondContact O-OG 3.27Å
72	Y	42.6	Very low	43.6	Very low	119 Å²	119	105 Å²	105	47%	0.467	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.7	-9.8	-173.4	-60.7	-72.9	0	0	0	114.7	S68 S69	S68-Y72 VanDerWaalsContact OG-CD2 3.27Å; S68-Y72 WeakPolarHBondContact OG-CD2 3.42Å; S69-Y72 WeakPolarHBondContact O-CD2 3.39Å; S69-Y72 PolarHBondContact O-N 2.87Å; S69-Y72 WeakPolarHBondContact OG-CE2 3.4Å
73	L	42.7	Very low	43.5	Very low	65 Å²	65	106.2 Å²	106.2	34%	0.34	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93	-1.7	179.5	-72.7	169.8	0	0	0	114	K188	L73-K188 HydrophobicContact CB-CD 4.1Å; L73-K188 HydrophobicContact CD1-CB 4.01Å; L73-K188 HydrophobicContact CD1-CD 4.07Å; L73-K188 HydrophobicContact CD1-CG 4.09Å; L73-K188 PolarHBondContact O-NZ 2.8Å
74	S	37.1	Very low	43.6	Very low	72 Å²	72	105.6 Å²	105.6	50%	0.503	58%	0.579	S	S	.	*	S	Bend	trans	-92.1	-12.9	178.9	55.6	0	0	0	0	113.8	Q71	Q71-S74 PolarHBondContact O-OG 3.27Å
75	H	36.9	Very low	44.3	Very low	127 Å²	127	105.8 Å²	105.8	59%	0.588	57%	0.574	S	S	*	*			trans	-135.4	101.9	-174.7	-58.7	-57.7	0	0	0	111.7	Q77	H75-Q77 HydrophobicContact CB-CB 4.39Å; H75-Q77 HydrophobicContact CB-CG 3.8Å; H75-Q77 PolarHBondContact O-N 3.42Å
76	I	43.5	Very low	45	Very low	181 Å²	181	112.5 Å²	112.5	93%	0.928	61%	0.605	S	S	*	*			trans	-71.2	60.5	150.3	-50.8	171.4	0	0	0	106.3
77	Q	38.6	Very low	46.3	Very low	140 Å²	140	109.9 Å²	109.9	65%	0.654	59%	0.59	S	S	*	*			trans	-74.4	132.8	160	-74.1	-101.5	-42.5	0	0	104.8	H75 I79	H75-Q77 HydrophobicContact CB-CB 4.39Å; H75-Q77 HydrophobicContact CB-CG 3.8Å; H75-Q77 PolarHBondContact O-N 3.42Å; Q77-I79 PolarHBondContact O-N 2.67Å
78	P	38.8	Very low	47.7	Very low	117 Å²	117	103.5 Å²	103.5	76%	0.76	57%	0.565	S	S	*	*			trans	-54.6	112.5	173.7	21.9	-29.2	0	0	0	107.3	P80	P78-P80 WeakPolarHBondContact O-CD 3.19Å
79	I	47.2	Very low	49.3	Very low	97 Å²	97	106.3 Å²	106.3	50%	0.497	57%	0.568	S	S	.	*			trans	-64.3	122	176.3	-56.8	173.4	0	0	0	104.7	Q77	Q77-I79 PolarHBondContact O-N 2.67Å
80	P	44.2	Very low	50.9	Low	111 Å²	111	111.6 Å²	111.6	72%	0.721	59%	0.593	S	S	*	*			trans	-55.3	144.6	177.7	-20.5	30.9	0	0	0	109.9	P78 A82	P78-P80 WeakPolarHBondContact O-CD 3.19Å; P80-A82 VanDerWaalsContact C-N 3.27Å; P80-A82 PolarHBondContact O-N 2.87Å
81	D	43	Very low	52.1	Low	178 Å²	178	108.4 Å²	108.4	95%	0.952	57%	0.573	S	S	*	*	S	Bend	trans	-52.1	84.6	177.8	-89.2	-35.1	0	0	0	112.2
82	A	47	Very low	53.4	Low	64 Å²	64	102.2 Å²	102.2	53%	0.529	54%	0.544	S	S	.	.			trans	171.9	111.3	155.2	0	0	0	0	0	106.6	P80 V84	P80-A82 VanDerWaalsContact C-N 3.27Å; P80-A82 PolarHBondContact O-N 2.87Å; A82-V84 HydrophobicContact CB-CG2 4.39Å; A82-V84 PolarHBondContact O-N 3.43Å
83	S	53.2	Low	54.4	Low	83 Å²	83	97.7 Å²	97.7	58%	0.58	53%	0.533	S	S	*	.			trans	-59.4	18	172.9	45.5	0	0	0	0	115	F118	S83-F118 VanDerWaalsContact O-CA 3.28Å; S83-F118 WeakPolarHBondContact O-CA 3.49Å; S83-F118 WeakPolarHBondContact O-CB 3.38Å
84	V	55	Low	55.8	Low	95 Å²	95	96.9 Å²	96.9	58%	0.576	54%	0.541	S	S	*	.			trans	-93.6	106.9	-174.3	-173.7	0	0	0	0	109.6	A82 S117	A82-V84 HydrophobicContact CB-CG2 4.39Å; A82-V84 PolarHBondContact O-N 3.43Å; V84-S117 WeakPolarHBondContact CA-O 3.46Å
85	I	64	Low	57.6	Low	41 Å²	41	97.2 Å²	97.2	21%	0.21	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-82.3	154.8	170.1	-19.2	173.5	0	0	0	109	R25 R87 S117 R119	R25-I85 HydrophobicContact CG-CD1 4.32Å; I85-R87 PolarHBondContact O-N 2.48Å; I85-S117 PolarHBondContact N-O 3.46Å; I85-R119 HydrophobicContact CD1-CG 3.47Å; I85-R119 VanDerWaalsContact CD1-CG 3.47Å; I85-R119 HydrophobicContact CG1-CG 3.86Å
86	E	66	Low	59.6	Low	174 Å²	174	91.5 Å²	91.5	81%	0.813	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-50.5	126.8	175.8	-169.6	174.3	-158.9	0	0	111.1	R25	R25-E86 PolarHBondContact NH1-O 3.08Å; R25-E86 PolarHBondContact NH2-O 2.7Å
87	R	72.9	Confident	61.5	Low	129 Å²	129	84.6 Å²	84.6	49%	0.487	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-63	131	-176.5	-64	173.4	176.7	161.5	-2.5	110.1	I85 E114 L115	I85-R87 PolarHBondContact O-N 2.48Å; R87-E114 IonicContact NH2-OE2 3.29Å; R87-E114 PolarHBondContact NH2-OE2 3.43Å; R87-L115 HydrophobicContact CB-CD2 4.25Å; R87-L115 VanDerWaalsContact CD-O 3.29Å; R87-L115 WeakPolarHBondContact CD-O 3.47Å; R87-L115 WeakPolarHBondContact CG-O 3.45Å; R87-L115 PolarHBondContact NE-O 3.35Å
88	D	71.2	Confident	63.8	Low	55 Å²	55	83.2 Å²	83.2	29%	0.294	46%	0.463	S	S	.	.			trans	-129.4	90.7	-177.7	-174.4	-14	0	0	0	108.2	R25 D90 A91 F92	R25-D88 IonicContact NH1-OD2 3.3Å; R25-D88 VanDerWaalsContact NH2-CB 3.27Å; D88-D90 PolarHBondContact O-N 2.97Å; D88-D90 WeakPolarHBondContact OD1-CB 3.49Å; D88-D90 PolarHBondContact OD1-N 3.03Å; D88-A91 HydrophobicContact CB-CB 4.1Å; D88-A91 PolarHBondContact OD1-N 3.04Å; D88-A91 VanDerWaalsContact OD2-CB 3.3Å; D88-A91 WeakPolarHBondContact OD2-CB 3.37Å; D88-F92 WeakPolarHBondContact O-CB 3.36Å; D88-F92 PolarHBondContact O-N 2.73Å
89	W	74.5	Confident	66	Low	111 Å²	111	79.4 Å²	79.4	42%	0.42	44%	0.435	S	S	.	.	H	α-helix	trans	-67.6	-21.9	176.3	-71.8	103.9	0	0	0	112.1	G93 I112 L115	W89-G93 WeakPolarHBondContact O-CA 3.4Å; W89-G93 PolarHBondContact O-N 3.23Å; W89-I112 HydrophobicContact CH2-CD1 4.18Å; W89-I112 HydrophobicContact CH2-CG2 3.81Å; W89-I112 HydrophobicContact CZ3-CD1 4.3Å; W89-L115 HydrophobicContact CD2-CB 4.37Å; W89-L115 HydrophobicContact CD2-CD2 3.67Å; W89-L115 HydrophobicContact CE3-CD2 3.95Å; W89-L115 HydrophobicContact CG-CD2 4.05Å; W89-L115 HydrophobicContact CH2-CB 3.64Å; W89-L115 HydrophobicContact CH2-CG 4.47Å; W89-L115 HydrophobicContact CZ2-CB 3.41Å; W89-L115 VanDerWaalsContact CZ2-CB 3.41Å; W89-L115 HydrophobicContact CZ2-CD2 4.29Å; W89-L115 HydrophobicContact CZ2-CG 4.4Å; W89-L115 HydrophobicContact CZ3-CB 4.2Å; W89-L115 HydrophobicContact CZ3-CD1 4.39Å; W89-L115 HydrophobicContact CZ3-CD2 4.35Å
90	D	72.3	Confident	67.9	Low	149 Å²	149	74.8 Å²	74.8	80%	0.797	41%	0.411	S	S	*	.	H	α-helix	trans	-76.6	-42.7	178.9	-67.5	-28.2	0	0	0	110.5	D88 F92	D88-D90 PolarHBondContact O-N 2.97Å; D88-D90 WeakPolarHBondContact OD1-CB 3.49Å; D88-D90 PolarHBondContact OD1-N 3.03Å; D90-F92 VanDerWaalsContact C-N 3.35Å
91	A	64.1	Low	70.1	Confident	35 Å²	35	71.1 Å²	71.1	29%	0.289	39%	0.39	S	S	.	.	H	α-helix	trans	-66.1	-36.4	175.4	0	0	0	0	0	112.7	D88	D88-A91 HydrophobicContact CB-CB 4.1Å; D88-A91 PolarHBondContact OD1-N 3.04Å; D88-A91 VanDerWaalsContact OD2-CB 3.3Å; D88-A91 WeakPolarHBondContact OD2-CB 3.37Å
92	F	67.6	Low	72.3	Confident	4 Å²	4	70.8 Å²	70.8	2%	0.018	38%	0.38	C	S	.	.	H	α-helix	trans	-84.4	-44.1	178.9	-173.7	-98.9	0	0	0	112.7	S27 F29 D88 D90 G94 I96 M97 L115	S27-F92 VanDerWaalsContact CB-CD2 3.44Å; S27-F92 WeakPolarHBondContact O-CE2 3.49Å; F29-F92 HydrophobicContact CD1-CD1 4.48Å; F29-F92 AromaticContact CD1-CE1 3.33Å; F29-F92 HydrophobicContact CD1-CE1 3.33Å; F29-F92 AromaticContact CD1-CZ 3.56Å; F29-F92 HydrophobicContact CD1-CZ 3.56Å; F29-F92 AromaticContact CE1-CE1 3.63Å; F29-F92 HydrophobicContact CE1-CE1 3.63Å; F29-F92 AromaticContact CE1-CZ 3.88Å; F29-F92 HydrophobicContact CE1-CZ 3.88Å; F29-F92 HydrophobicContact CG-CE1 4.47Å; D88-F92 WeakPolarHBondContact O-CB 3.36Å; D88-F92 PolarHBondContact O-N 2.73Å; D90-F92 VanDerWaalsContact C-N 3.35Å; F92-G94 PolarHBondContact O-N 3.06Å; F92-I96 HydrophobicContact CD2-CD1 3.56Å; F92-I96 HydrophobicContact CE1-CG2 4.21Å; F92-I96 HydrophobicContact CE2-CB 4.26Å; F92-I96 HydrophobicContact CE2-CD1 3.66Å; F92-I96 HydrophobicContact CE2-CG2 3.81Å; F92-I96 HydrophobicContact CG-CD1 4.37Å; F92-I96 HydrophobicContact CZ-CB 4.31Å; F92-I96 HydrophobicContact CZ-CG2 3.63Å; F92-I96 WeakPolarHBondContact O-CB 3.26Å; F92-I96 PolarHBondContact O-N 2.83Å; F92-M97 HydrophobicContact CD1-CG 4.4Å; F92-M97 HydrophobicContact CD1-SD 4.42Å; F92-M97 HydrophobicContact CE1-CG 4.31Å; F92-M97 HydrophobicContact CE1-SD 3.86Å; F92-L115 HydrophobicContact CB-CD1 4.42Å; F92-L115 HydrophobicContact CB-CD2 4.46Å; F92-L115 HydrophobicContact CD1-CD1 3.79Å; F92-L115 HydrophobicContact CD2-CD1 4.28Å; F92-L115 HydrophobicContact CE1-CD1 4.11Å; F92-L115 HydrophobicContact CG-CD1 3.89Å; F92-L115 HydrophobicContact CZ-CD1 4.46Å
93	G	61.6	Low	74.3	Confident	23 Å²	23	75.7 Å²	75.7	24%	0.237	39%	0.385	C	S	.	.	H	α-helix	trans	-83.5	-15.5	-154.3	0	0	0	0	0	116.4	W89 M97	W89-G93 WeakPolarHBondContact O-CA 3.4Å; W89-G93 PolarHBondContact O-N 3.23Å; G93-M97 VanDerWaalsContact O-CB 3.23Å; G93-M97 WeakPolarHBondContact O-CB 3.42Å; G93-M97 WeakPolarHBondContact O-CG 3.28Å
94	G	72.2	Confident	76	Confident	49 Å²	49	73.3 Å²	73.3	51%	0.505	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-70.7	177.7	0	0	0	0	0	112	F92 E98	F92-G94 PolarHBondContact O-N 3.06Å; G94-E98 VanDerWaalsContact O-CB 3.28Å; G94-E98 WeakPolarHBondContact O-CB 3.25Å; G94-E98 PolarHBondContact O-N 3.39Å
95	Y	75.8	Confident	77.6	Confident	79 Å²	79	72.7 Å²	72.7	31%	0.31	36%	0.364	S	S	.	.	H	α-helix	trans	-74.7	-48.4	-173	-179.5	-91.8	0	0	0	112.8	H61 E98 K99	H61-Y95 HydrophobicContact CB-CD1 3.98Å; H61-Y95 HydrophobicContact CB-CG 4.46Å; H61-Y95 AromaticContact CD2-CD1 3.34Å; H61-Y95 WeakPolarHBondContact CD2-CD1 3.46Å; H61-Y95 AromaticContact CD2-CD2 3.61Å; H61-Y95 AromaticContact CD2-CE1 3.88Å; H61-Y95 AromaticContact CD2-CG 3.18Å; H61-Y95 AromaticContact CG-CD1 3.97Å; H61-Y95 AromaticContact NE2-CD2 3.84Å; H61-Y95 AromaticContact NE2-CG 3.77Å; Y95-E98 PolarHBondContact O-N 3.36Å; Y95-K99 HydrophobicContact CD1-CG 4.23Å; Y95-K99 HydrophobicContact CE1-CG 3.87Å; Y95-K99 VanDerWaalsContact CE2-CE 3.47Å; Y95-K99 HydrophobicContact CE2-CG 4.41Å; Y95-K99 WeakPolarHBondContact O-CG 3.48Å; Y95-K99 PolarHBondContact O-N 3.34Å
96	I	79.8	Confident	78.7	Confident	7 Å²	7	74.4 Å²	74.4	4%	0.036	38%	0.38	C	S	.	.	H	α-helix	trans	-69.2	-42.9	-171.7	-62.3	165.2	0	0	0	110.2	V46 G59 H61 F92 K99 L100	V46-I96 HydrophobicContact CG1-CG2 3.99Å; G59-I96 VanDerWaalsContact O-CD1 3.27Å; G59-I96 WeakPolarHBondContact O-CD1 3.44Å; H61-I96 HydrophobicContact CB-CD1 4.48Å; H61-I96 HydrophobicContact CB-CG1 4.4Å; F92-I96 HydrophobicContact CD2-CD1 3.56Å; F92-I96 HydrophobicContact CE1-CG2 4.21Å; F92-I96 HydrophobicContact CE2-CB 4.26Å; F92-I96 HydrophobicContact CE2-CD1 3.66Å; F92-I96 HydrophobicContact CE2-CG2 3.81Å; F92-I96 HydrophobicContact CG-CD1 4.37Å; F92-I96 HydrophobicContact CZ-CB 4.31Å; F92-I96 HydrophobicContact CZ-CG2 3.63Å; F92-I96 WeakPolarHBondContact O-CB 3.26Å; F92-I96 PolarHBondContact O-N 2.83Å; I96-K99 PolarHBondContact O-N 3.44Å; I96-L100 HydrophobicContact CG2-CD1 3.79Å; I96-L100 HydrophobicContact CG2-CG 4.28Å; I96-L100 WeakPolarHBondContact O-CB 3.3Å; I96-L100 WeakPolarHBondContact O-CG 3.48Å; I96-L100 PolarHBondContact O-N 2.87Å
97	M	82.6	Confident	79.5	Confident	35 Å²	35	66.5 Å²	66.5	17%	0.172	34%	0.343	C	S	.	.	H	α-helix	trans	-66.2	-39.7	176.9	-61.8	-68.4	-74	0	0	112	F29 F92 G93 K99 L100 A101 M108 I112	F29-M97 HydrophobicContact CD1-SD 4.13Å; F29-M97 HydrophobicContact CE1-CE 4.33Å; F29-M97 HydrophobicContact CE1-SD 3.36Å; F29-M97 WeakPolarHBondContact CE1-SD 3.32Å; F29-M97 HydrophobicContact CZ-CE 4.01Å; F29-M97 HydrophobicContact CZ-SD 3.61Å; F92-M97 HydrophobicContact CD1-CG 4.4Å; F92-M97 HydrophobicContact CD1-SD 4.42Å; F92-M97 HydrophobicContact CE1-CG 4.31Å; F92-M97 HydrophobicContact CE1-SD 3.86Å; G93-M97 VanDerWaalsContact O-CB 3.23Å; G93-M97 WeakPolarHBondContact O-CB 3.42Å; G93-M97 WeakPolarHBondContact O-CG 3.28Å; M97-K99 VanDerWaalsContact C-N 3.29Å; M97-K99 PolarHBondContact O-N 3.41Å; M97-L100 PolarHBondContact O-N 2.84Å; M97-A101 WeakPolarHBondContact O-CB 3.48Å; M97-A101 PolarHBondContact O-N 3.24Å; M97-M108 HydrophobicContact CE-CE 4.32Å; M97-M108 HydrophobicContact CE-SD 4Å; M97-I112 HydrophobicContact CE-CD1 4.05Å
98	E	86	Confident	80.1	Confident	111 Å²	111	63.5 Å²	63.5	52%	0.519	34%	0.335	S	S	.	.	H	α-helix	trans	-57.4	-44.8	174.4	-175.5	-154.4	122.5	0	0	110.9	G94 Y95 K102	G94-E98 VanDerWaalsContact O-CB 3.28Å; G94-E98 WeakPolarHBondContact O-CB 3.25Å; G94-E98 PolarHBondContact O-N 3.39Å; Y95-E98 PolarHBondContact O-N 3.36Å; E98-K102 WeakPolarHBondContact O-CB 3.4Å; E98-K102 PolarHBondContact O-N 2.73Å
99	K	86.7	Confident	80.8	Confident	38 Å²	38	67.8 Å²	67.8	17%	0.165	36%	0.358	C	S	.	.	H	α-helix	trans	-68	-44.8	178.4	-67.9	-38.7	171.8	-150.4	0	113	V46 Y95 I96 M97 K102 R103	V46-K99 HydrophobicContact CG1-CB 3.76Å; V46-K99 HydrophobicContact CG2-CB 4.49Å; Y95-K99 HydrophobicContact CD1-CG 4.23Å; Y95-K99 HydrophobicContact CE1-CG 3.87Å; Y95-K99 VanDerWaalsContact CE2-CE 3.47Å; Y95-K99 HydrophobicContact CE2-CG 4.41Å; Y95-K99 WeakPolarHBondContact O-CG 3.48Å; Y95-K99 PolarHBondContact O-N 3.34Å; I96-K99 PolarHBondContact O-N 3.44Å; M97-K99 VanDerWaalsContact C-N 3.29Å; M97-K99 PolarHBondContact O-N 3.41Å; K99-K102 PolarHBondContact O-N 2.65Å; K99-R103 PolarHBondContact O-N 3.44Å
100	L	87.4	Confident	81.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-61.2	-45	174.8	-76	169.7	0	0	0	111.2	F29 V46 V48 C57 I96 M97 K102 R103 F104 M108	F29-L100 HydrophobicContact CE1-CD1 3.5Å; F29-L100 VanDerWaalsContact CE1-CD1 3.5Å; F29-L100 HydrophobicContact CZ-CD1 3.89Å; V46-L100 HydrophobicContact CB-CD2 3.84Å; V46-L100 HydrophobicContact CB-CG 4.1Å; V46-L100 HydrophobicContact CG1-CD2 4.5Å; V46-L100 HydrophobicContact CG1-CG 4.21Å; V46-L100 HydrophobicContact CG2-CD2 3.88Å; V46-L100 HydrophobicContact CG2-CG 4.32Å; V48-L100 HydrophobicContact CG2-CD2 3.87Å; C57-L100 HydrophobicContact CB-CD1 3.97Å; I96-L100 HydrophobicContact CG2-CD1 3.79Å; I96-L100 HydrophobicContact CG2-CG 4.28Å; I96-L100 WeakPolarHBondContact O-CB 3.3Å; I96-L100 WeakPolarHBondContact O-CG 3.48Å; I96-L100 PolarHBondContact O-N 2.87Å; M97-L100 PolarHBondContact O-N 2.84Å; L100-K102 VanDerWaalsContact C-N 3.28Å; L100-K102 PolarHBondContact O-N 3.33Å; L100-R103 PolarHBondContact O-N 3.08Å; L100-F104 HydrophobicContact CD2-CD2 3.9Å; L100-F104 HydrophobicContact CD2-CE2 4.24Å; L100-F104 CarbonylContact O-C 3.13Å; L100-F104 WeakPolarHBondContact O-CA 3.43Å; L100-F104 PolarHBondContact O-N 2.61Å; L100-M108 HydrophobicContact CB-CE 3.86Å
101	A	88.7	Confident	81.8	Confident	34 Å²	34	65.6 Å²	65.6	28%	0.281	35%	0.349	S	S	.	.	H	α-helix	trans	-60.8	-39	177.7	0	0	0	0	0	111.8	M97 S105 M108	M97-A101 WeakPolarHBondContact O-CB 3.48Å; M97-A101 PolarHBondContact O-N 3.24Å; A101-S105 VanDerWaalsContact O-CA 3.24Å; A101-S105 WeakPolarHBondContact O-CA 3.3Å; A101-S105 PolarHBondContact O-N 3.01Å; A101-M108 HydrophobicContact CB-CE 4.25Å; A101-M108 HydrophobicContact CB-CG 3.57Å; A101-M108 HydrophobicContact CB-SD 3.67Å
102	K	90	Very high	82.9	Confident	170 Å²	170	66.9 Å²	66.9	74%	0.739	35%	0.351	S	S	*	.	H	α-helix	trans	-68.3	-40.2	178.1	-172.5	178.9	179.7	-176	0	112.4	E98 K99 L100	E98-K102 WeakPolarHBondContact O-CB 3.4Å; E98-K102 PolarHBondContact O-N 2.73Å; K99-K102 PolarHBondContact O-N 2.65Å; L100-K102 VanDerWaalsContact C-N 3.28Å; L100-K102 PolarHBondContact O-N 3.33Å
103	R	89.6	Confident	83.7	Confident	168 Å²	168	72 Å²	72	63%	0.634	37%	0.373	S	S	*	.	H	α-helix	trans	-87.9	-37.8	-175.6	-174.2	62.4	179.2	173.7	-1.1	113.2	D41 K99 L100	D41-R103 HydrophobicContact CB-CG 4.28Å; D41-R103 WeakPolarHBondContact OD2-CG 3.33Å; K99-R103 PolarHBondContact O-N 3.44Å; L100-R103 PolarHBondContact O-N 3.08Å
104	F	88.2	Confident	84.8	Confident	32 Å²	32	73.8 Å²	73.8	14%	0.14	38%	0.375	C	S	.	.			trans	-129.7	63.4	-173.3	-52.5	-79.9	0	0	0	110.1	F39 V46 V48 L100 S106 I107	F39-F104 HydrophobicContact CB-CE1 4.17Å; F39-F104 HydrophobicContact CB-CZ 3.85Å; F39-F104 HydrophobicContact CD2-CE1 4.16Å; F39-F104 HydrophobicContact CG-CE1 4.21Å; F39-F104 HydrophobicContact CG-CZ 4.38Å; V46-F104 HydrophobicContact CG2-CE2 4.43Å; V48-F104 HydrophobicContact CB-CZ 4.39Å; V48-F104 HydrophobicContact CG2-CD1 4.41Å; V48-F104 HydrophobicContact CG2-CD2 3.69Å; V48-F104 HydrophobicContact CG2-CE1 4.33Å; V48-F104 HydrophobicContact CG2-CE2 3.6Å; V48-F104 HydrophobicContact CG2-CG 4.11Å; V48-F104 HydrophobicContact CG2-CZ 3.93Å; L100-F104 HydrophobicContact CD2-CD2 3.9Å; L100-F104 HydrophobicContact CD2-CE2 4.24Å; L100-F104 CarbonylContact O-C 3.13Å; L100-F104 WeakPolarHBondContact O-CA 3.43Å; L100-F104 PolarHBondContact O-N 2.61Å; F104-S106 PolarHBondContact O-N 3.1Å; F104-S106 VanDerWaalsContact O-N 3.15Å; F104-I107 HydrophobicContact CB-CB 4.3Å; F104-I107 HydrophobicContact CB-CD1 3.39Å; F104-I107 HydrophobicContact CB-CG1 3.79Å; F104-I107 HydrophobicContact CD1-CD1 4.37Å; F104-I107 HydrophobicContact CD2-CD1 4.44Å; F104-I107 HydrophobicContact CG-CD1 3.87Å; F104-I107 WeakPolarHBondContact O-CB 3.22Å; F104-I107 PolarHBondContact O-N 2.94Å
105	S	88	Confident	85.2	Confident	83 Å²	83	71.5 Å²	71.5	58%	0.58	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-55.2	-37.3	-172.8	59	0	0	0	0	113.7	A101 I107 M108	A101-S105 VanDerWaalsContact O-CA 3.24Å; A101-S105 WeakPolarHBondContact O-CA 3.3Å; A101-S105 PolarHBondContact O-N 3.01Å; S105-I107 PolarHBondContact O-N 2.75Å; S105-M108 WeakPolarHBondContact O-CB 3.13Å; S105-M108 PolarHBondContact O-N 3.29Å
106	S	86.8	Confident	85.3	Confident	77 Å²	77	68.6 Å²	68.6	54%	0.538	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-64	-21.7	179	57	0	0	0	0	113.9	F104 M108 D109	F104-S106 PolarHBondContact O-N 3.1Å; F104-S106 VanDerWaalsContact O-N 3.15Å; S106-M108 PolarHBondContact O-N 2.7Å; S106-D109 PolarHBondContact O-N 2.83Å
107	I	84.1	Confident	85.1	Confident	7 Å²	7	68.4 Å²	68.4	4%	0.036	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-68	-26.7	176	-64.4	-179.5	0	0	0	110.8	F29 V31 V48 F104 S105 D109 L110	F29-I107 HydrophobicContact CE2-CG2 4.27Å; F29-I107 HydrophobicContact CZ-CG2 4.35Å; V31-I107 HydrophobicContact CG1-CG2 4.09Å; V31-I107 HydrophobicContact CG2-CG2 3.96Å; V48-I107 HydrophobicContact CB-CD1 4.43Å; V48-I107 HydrophobicContact CG1-CD1 3.9Å; V48-I107 HydrophobicContact CG2-CD1 3.67Å; F104-I107 HydrophobicContact CB-CB 4.3Å; F104-I107 HydrophobicContact CB-CD1 3.39Å; F104-I107 HydrophobicContact CB-CG1 3.79Å; F104-I107 HydrophobicContact CD1-CD1 4.37Å; F104-I107 HydrophobicContact CD2-CD1 4.44Å; F104-I107 HydrophobicContact CG-CD1 3.87Å; F104-I107 WeakPolarHBondContact O-CB 3.22Å; F104-I107 PolarHBondContact O-N 2.94Å; S105-I107 PolarHBondContact O-N 2.75Å; I107-D109 PolarHBondContact O-N 2.93Å; I107-L110 WeakPolarHBondContact O-CB 3.39Å; I107-L110 PolarHBondContact O-N 3.44Å
108	M	84.7	Confident	84.5	Confident	67 Å²	67	69 Å²	69	33%	0.33	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-71.2	-19.3	179.1	-57.6	-60.2	114.6	0	0	112.8	M97 L100 A101 S105 S106 L110	M97-M108 HydrophobicContact CE-CE 4.32Å; M97-M108 HydrophobicContact CE-SD 4Å; L100-M108 HydrophobicContact CB-CE 3.86Å; A101-M108 HydrophobicContact CB-CE 4.25Å; A101-M108 HydrophobicContact CB-CG 3.57Å; A101-M108 HydrophobicContact CB-SD 3.67Å; S105-M108 WeakPolarHBondContact O-CB 3.13Å; S105-M108 PolarHBondContact O-N 3.29Å; S106-M108 PolarHBondContact O-N 2.7Å; M108-L110 VanDerWaalsContact C-N 3.33Å
109	D	86.2	Confident	83.7	Confident	145 Å²	145	67.4 Å²	67.4	78%	0.775	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-85.9	-9	176	-58.2	-43.7	0	0	0	112.4	S106 I107	S106-D109 PolarHBondContact O-N 2.83Å; I107-D109 PolarHBondContact O-N 2.93Å
110	L	85.6	Confident	83.1	Confident	64 Å²	64	67.3 Å²	67.3	34%	0.335	33%	0.333	S	S	.	.	S	Bend	trans	-88.6	145.7	-178	-58.6	175.5	0	0	0	111.2	V31 L55 I107 M108 I112	V31-L110 HydrophobicContact CB-CB 3.75Å; V31-L110 HydrophobicContact CB-CD1 4.03Å; V31-L110 HydrophobicContact CG1-CB 4.04Å; V31-L110 HydrophobicContact CG2-CB 4.42Å; V31-L110 HydrophobicContact CG2-CD1 3.8Å; L55-L110 HydrophobicContact CD1-CD1 4.49Å; I107-L110 WeakPolarHBondContact O-CB 3.39Å; I107-L110 PolarHBondContact O-N 3.44Å; M108-L110 VanDerWaalsContact C-N 3.33Å; L110-I112 PolarHBondContact O-N 2.98Å
111	E	83.2	Confident	82.4	Confident	149 Å²	149	68.6 Å²	68.6	70%	0.696	35%	0.346	S	S	*	.			trans	-67.7	123.1	174.8	-173.1	-178.7	-176.9	0	0	110.4	V31 R32 K113	V31-E111 WeakPolarHBondContact CA-O 3.41Å; R32-E111 PolarHBondContact N-O 3.47Å; E111-K113 PolarHBondContact O-N 3.25Å
112	I	85.8	Confident	82	Confident	62 Å²	62	67.5 Å²	67.5	32%	0.318	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	115.3	172.4	-55.5	173.1	0	0	0	108.7	F29 F30 V31 W89 M97 L110	F29-I112 HydrophobicContact CB-CG2 3.82Å; F29-I112 HydrophobicContact CD2-CB 4.28Å; F29-I112 HydrophobicContact CD2-CD1 4.03Å; F29-I112 HydrophobicContact CD2-CG1 3.75Å; F29-I112 HydrophobicContact CD2-CG2 3.69Å; F29-I112 HydrophobicContact CE2-CD1 4.12Å; F29-I112 HydrophobicContact CE2-CG1 3.95Å; F29-I112 HydrophobicContact CG-CG2 4.12Å; F30-I112 CarbonylContact O-C 3.56Å; F30-I112 WeakPolarHBondContact O-CA 3.44Å; V31-I112 HydrophobicContact CG1-CG1 4.05Å; W89-I112 HydrophobicContact CH2-CD1 4.18Å; W89-I112 HydrophobicContact CH2-CG2 3.81Å; W89-I112 HydrophobicContact CZ3-CD1 4.3Å; M97-I112 HydrophobicContact CE-CD1 4.05Å; L110-I112 PolarHBondContact O-N 2.98Å
113	K	85.1	Confident	81.8	Confident	111 Å²	111	59.4 Å²	59.4	48%	0.483	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-51.8	177.7	-176.1	-157.9	-166.2	171.2	0	111.3	F30 Y54 E111	F30-K113 HydrophobicContact CB-CB 4.15Å; F30-K113 HydrophobicContact CB-CD 4.37Å; F30-K113 PolarHBondContact O-N 3.2Å; Y54-K113 HydrophobicContact CD1-CB 4.39Å; Y54-K113 HydrophobicContact CD1-CD 4.06Å; Y54-K113 HydrophobicContact CE1-CB 4.05Å; Y54-K113 HydrophobicContact CE1-CD 3.52Å; Y54-K113 HydrophobicContact CE1-CG 4.07Å; Y54-K113 HydrophobicContact CE2-CD 4.2Å; Y54-K113 VanDerWaalsContact CZ-NZ 3.3Å; Y54-K113 VanDerWaalsContact OH-CE 3.29Å; Y54-K113 WeakPolarHBondContact OH-CE 3.12Å; Y54-K113 PolarHBondContact OH-NZ 3.38Å; E111-K113 PolarHBondContact O-N 3.25Å
114	E	83.9	Confident	81.6	Confident	62 Å²	62	51.5 Å²	51.5	29%	0.29	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	156.1	179.4	67.9	-179.4	167.1	0	0	112	F29 F30 R87	F29-E114 CarbonylContact C-O 3.18Å; F29-E114 WeakPolarHBondContact CA-O 3.26Å; F29-E114 VanDerWaalsContact CB-O 3.26Å; F29-E114 WeakPolarHBondContact CB-O 3.18Å; F30-E114 HydrophobicContact CD2-CG 3.59Å; F30-E114 HydrophobicContact CE2-CG 4.1Å; F30-E114 PolarHBondContact N-O 3.48Å; R87-E114 IonicContact NH2-OE2 3.29Å; R87-E114 PolarHBondContact NH2-OE2 3.43Å
115	L	81.6	Confident	81.6	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.7	162	179.3	72.4	0	0	0	108.5	F29 R87 W89 F92	F29-L115 HydrophobicContact CB-CD1 4.17Å; R87-L115 HydrophobicContact CB-CD2 4.25Å; R87-L115 VanDerWaalsContact CD-O 3.29Å; R87-L115 WeakPolarHBondContact CD-O 3.47Å; R87-L115 WeakPolarHBondContact CG-O 3.45Å; R87-L115 PolarHBondContact NE-O 3.35Å; W89-L115 HydrophobicContact CD2-CB 4.37Å; W89-L115 HydrophobicContact CD2-CD2 3.67Å; W89-L115 HydrophobicContact CE3-CD2 3.95Å; W89-L115 HydrophobicContact CG-CD2 4.05Å; W89-L115 HydrophobicContact CH2-CB 3.64Å; W89-L115 HydrophobicContact CH2-CG 4.47Å; W89-L115 HydrophobicContact CZ2-CB 3.41Å; W89-L115 VanDerWaalsContact CZ2-CB 3.41Å; W89-L115 HydrophobicContact CZ2-CD2 4.29Å; W89-L115 HydrophobicContact CZ2-CG 4.4Å; W89-L115 HydrophobicContact CZ3-CB 4.2Å; W89-L115 HydrophobicContact CZ3-CD1 4.39Å; W89-L115 HydrophobicContact CZ3-CD2 4.35Å; F92-L115 HydrophobicContact CB-CD1 4.42Å; F92-L115 HydrophobicContact CB-CD2 4.46Å; F92-L115 HydrophobicContact CD1-CD1 3.79Å; F92-L115 HydrophobicContact CD2-CD1 4.28Å; F92-L115 HydrophobicContact CE1-CD1 4.11Å; F92-L115 HydrophobicContact CG-CD1 3.89Å; F92-L115 HydrophobicContact CZ-CD1 4.46Å
116	S	78.5	Confident	81.4	Confident	18 Å²	18	49.4 Å²	49.4	13%	0.126	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.2	172.5	-72.3	0	0	0	0	109.2	S27 Y28	S27-S116 VanDerWaalsContact CA-O 3.23Å; S27-S116 WeakPolarHBondContact CA-O 3.3Å; Y28-S116 PolarHBondContact N-O 2.69Å; Y28-S116 PolarHBondContact O-N 3.33Å
117	S	73.6	Confident	81.5	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	128.3	175.8	-65.1	0	0	0	0	109	R25 A26 S27 V84 I85	R25-S117 VanDerWaalsContact NH2-CB 3.32Å; R25-S117 PolarHBondContact NH2-OG 3.27Å; A26-S117 CarbonylContact O-C 3.57Å; A26-S117 VanDerWaalsContact O-CA 3.27Å; A26-S117 WeakPolarHBondContact O-CA 3.3Å; S27-S117 PolarHBondContact OG-OG 2.8Å; V84-S117 WeakPolarHBondContact CA-O 3.46Å; I85-S117 PolarHBondContact N-O 3.46Å
118	F	70.2	Confident	81.8	Confident	46 Å²	46	48.5 Å²	48.5	20%	0.202	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.8	-176.2	62.9	-77	0	0	0	111.8	A26 Y28 S83 E120	A26-F118 HydrophobicContact CB-CD1 4.14Å; A26-F118 HydrophobicContact CB-CD2 4.27Å; A26-F118 HydrophobicContact CB-CE1 3.5Å; A26-F118 HydrophobicContact CB-CE2 3.72Å; A26-F118 HydrophobicContact CB-CG 4.48Å; A26-F118 HydrophobicContact CB-CZ 3.3Å; A26-F118 PolarHBondContact N-O 3.47Å; A26-F118 WeakPolarHBondContact O-CD1 3.44Å; A26-F118 PolarHBondContact O-N 3.13Å; Y28-F118 HydrophobicContact CD1-CD1 4.33Å; Y28-F118 AromaticContact CD1-CE1 3.57Å; Y28-F118 HydrophobicContact CD1-CE1 3.57Å; Y28-F118 HydrophobicContact CD1-CZ 4.44Å; Y28-F118 AromaticContact CE1-CD1 3.74Å; Y28-F118 HydrophobicContact CE1-CD1 3.74Å; Y28-F118 AromaticContact CE1-CE1 3.21Å; Y28-F118 HydrophobicContact CE1-CE1 3.21Å; Y28-F118 HydrophobicContact CE1-CZ 4.06Å; S83-F118 VanDerWaalsContact O-CA 3.28Å; S83-F118 WeakPolarHBondContact O-CA 3.49Å; S83-F118 WeakPolarHBondContact O-CB 3.38Å; F118-E120 HydrophobicContact CD2-CB 4.44Å; F118-E120 HydrophobicContact CE2-CB 4.24Å; F118-E120 WeakPolarHBondContact CE2-OE2 3.48Å
119	R	70.6	Confident	82.2	Confident	79 Å²	79	45.3 Å²	45.3	30%	0.298	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.3	177.1	-69	160.6	177.8	-127.3	9.3	108.6	E23 I85	E23-R119 HydrophobicContact CB-CB 4.05Å; E23-R119 HydrophobicContact CB-CG 4.24Å; E23-R119 HydrophobicContact CG-CB 4.01Å; E23-R119 HydrophobicContact CG-CG 4.48Å; E23-R119 WeakPolarHBondContact OE2-CD 3.42Å; E23-R119 IonicContact OE2-CZ 2.71Å; E23-R119 IonicContact OE2-NE 3.62Å; E23-R119 IonicContact OE2-NH1 3.67Å; E23-R119 PolarHBondContact OE2-NH1 2.64Å; I85-R119 HydrophobicContact CD1-CG 3.47Å; I85-R119 VanDerWaalsContact CD1-CG 3.47Å; I85-R119 HydrophobicContact CG1-CG 3.86Å
120	E	72.4	Confident	82.4	Confident	36 Å²	36	38.4 Å²	38.4	17%	0.168	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.5	175.8	-173.7	138.7	-139.1	0	0	112.2	E23 C24 F118 Y122 G147	E23-E120 VanDerWaalsContact CA-O 3.3Å; E23-E120 WeakPolarHBondContact CA-O 3.41Å; C24-E120 PolarHBondContact N-O 3.13Å; C24-E120 PolarHBondContact O-N 2.98Å; F118-E120 HydrophobicContact CD2-CB 4.44Å; F118-E120 HydrophobicContact CE2-CB 4.24Å; F118-E120 WeakPolarHBondContact CE2-OE2 3.48Å; E120-Y122 HydrophobicContact CB-CE2 3.95Å; E120-Y122 HydrophobicContact CG-CD2 4.44Å; E120-Y122 HydrophobicContact CG-CE2 3.9Å; E120-Y122 WeakPolarHBondContact O-CD2 3.2Å; E120-G147 WeakPolarHBondContact OE1-CA 3.18Å; E120-G147 PolarHBondContact OE1-N 3.22Å; E120-G147 VanDerWaalsContact OE2-CA 3.27Å; E120-G147 WeakPolarHBondContact OE2-CA 3.44Å
121	G	74.3	Confident	82.6	Confident	27 Å²	27	35.4 Å²	35.4	28%	0.278	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	120.6	-179.8	0	0	0	0	0	112.2	S146	G121-S146 WeakPolarHBondContact O-CA 2.97Å; G121-S146 PolarHBondContact O-N 2.97Å
122	Y	79.8	Confident	82.8	Confident	10 Å²	10	32 Å²	32	4%	0.039	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.8	175.4	-75.5	-96.8	0	0	0	112.4	G21 C24 E120 V198 A199	G21-Y122 WeakPolarHBondContact CA-O 3.25Å; C24-Y122 HydrophobicContact CB-CD2 3.65Å; C24-Y122 HydrophobicContact CB-CE2 3.7Å; E120-Y122 HydrophobicContact CB-CE2 3.95Å; E120-Y122 HydrophobicContact CG-CD2 4.44Å; E120-Y122 HydrophobicContact CG-CE2 3.9Å; E120-Y122 WeakPolarHBondContact O-CD2 3.2Å; Y122-V198 HydrophobicContact CD1-CG1 4.24Å; Y122-A199 HydrophobicContact CD1-CB 3.58Å; Y122-A199 HydrophobicContact CD2-CB 3.78Å; Y122-A199 HydrophobicContact CE1-CB 3.52Å; Y122-A199 HydrophobicContact CE2-CB 3.74Å; Y122-A199 HydrophobicContact CG-CB 3.71Å
123	T	85.6	Confident	82.6	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.006	15%	0.15	C	C	.	.			trans	-87.9	163	174.5	61.1	0	0	0	0	110.7	D125 G126 L127 I129 G144 S146	T123-D125 PolarHBondContact O-N 2.95Å; T123-D125 PolarHBondContact OG1-OD1 3.44Å; T123-G126 PolarHBondContact O-N 3.34Å; T123-G126 WeakPolarHBondContact OG1-CA 3.38Å; T123-G126 PolarHBondContact OG1-N 2.83Å; T123-G126 VanDerWaalsContact OG1-N 3.16Å; T123-L127 WeakPolarHBondContact CB-O 3.26Å; T123-L127 WeakPolarHBondContact CG2-O 3.43Å; T123-L127 PolarHBondContact OG1-N 2.79Å; T123-L127 VanDerWaalsContact OG1-N 3.12Å; T123-L127 PolarHBondContact OG1-O 3.03Å; T123-I129 HydrophobicContact CG2-CD1 3.48Å; T123-I129 VanDerWaalsContact CG2-CD1 3.48Å; T123-I129 HydrophobicContact CG2-CG1 3.79Å; T123-G144 VanDerWaalsContact CG2-O 3.25Å; T123-G144 WeakPolarHBondContact CG2-O 3.42Å; T123-S146 PolarHBondContact N-OG 3.06Å; T123-S146 PolarHBondContact OG1-OG 3.39Å
124	P	86.2	Confident	82	Confident	2 Å²	2	26 Å²	26	1%	0.013	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-22.8	179.6	-32.5	37.7	0	0	0	116.9	F181 H185 Y190 L191 R194 V198	P124-F181 HydrophobicContact CB-CE1 3.76Å; P124-F181 HydrophobicContact CB-CZ 4.07Å; P124-F181 HydrophobicContact CG-CD1 4.43Å; P124-F181 HydrophobicContact CG-CE1 3.89Å; P124-F181 HydrophobicContact CG-CZ 3.96Å; P124-H185 HydrophobicContact CG-CB 4.31Å; P124-Y190 HydrophobicContact CB-CE1 3.84Å; P124-Y190 HydrophobicContact CG-CE1 3.95Å; P124-L191 HydrophobicContact CG-CD2 3.74Å; P124-R194 HydrophobicContact CB-CG 4.43Å; P124-R194 WeakPolarHBondContact O-CG 3.31Å; P124-V198 WeakPolarHBondContact O-CG2 3.26Å
125	D	87.2	Confident	81.4	Confident	47 Å²	47	24.5 Å²	24.5	25%	0.251	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	3.7	-176.5	59.5	4.7	0	0	0	113.1	T123 L127 R180	T123-D125 PolarHBondContact O-N 2.95Å; T123-D125 PolarHBondContact OG1-OD1 3.44Å; D125-L127 PolarHBondContact O-N 3.42Å; D125-L127 PolarHBondContact OD1-N 3.26Å; D125-L127 VanDerWaalsContact OD1-N 3.08Å; D125-R180 IonicContact OD1-CZ 2.67Å; D125-R180 IonicContact OD1-NE 3.41Å; D125-R180 IonicContact OD1-NH2 2.77Å; D125-R180 PolarHBondContact OD1-NH2 2.81Å; D125-R180 IonicContact OD2-CZ 3.62Å; D125-R180 IonicContact OD2-NE 3.62Å; D125-R180 PolarHBondContact OD2-NE 2.79Å; D125-R180 IonicContact OD2-NH2 3.53Å; D125-R180 PolarHBondContact OD2-NH2 3.07Å
126	G	85	Confident	81.4	Confident	23 Å²	23	28.9 Å²	28.9	24%	0.237	15%	0.153	C	C	.	.	S	Bend	trans	73.2	2	-178.2	0	0	0	0	0	114.6	T123 S146 V198	T123-G126 PolarHBondContact O-N 3.34Å; T123-G126 WeakPolarHBondContact OG1-CA 3.38Å; T123-G126 PolarHBondContact OG1-N 2.83Å; T123-G126 VanDerWaalsContact OG1-N 3.16Å; G126-S146 WeakPolarHBondContact O-CB 3.43Å; G126-V198 VanDerWaalsContact CA-CG1 3.46Å
127	L	88.6	Confident	81.2	Confident	63 Å²	63	39.1 Å²	39.1	33%	0.33	19%	0.188	S	C	.	.			trans	-94.4	147.7	178.3	-61.7	178.5	0	0	0	111.4	T123 D125 K175 F176 R180	T123-L127 WeakPolarHBondContact CB-O 3.26Å; T123-L127 WeakPolarHBondContact CG2-O 3.43Å; T123-L127 PolarHBondContact OG1-N 2.79Å; T123-L127 VanDerWaalsContact OG1-N 3.12Å; T123-L127 PolarHBondContact OG1-O 3.03Å; D125-L127 PolarHBondContact O-N 3.42Å; D125-L127 PolarHBondContact OD1-N 3.26Å; D125-L127 VanDerWaalsContact OD1-N 3.08Å; L127-K175 HydrophobicContact CD1-CB 4.35Å; L127-F176 HydrophobicContact CB-CD1 4.35Å; L127-F176 HydrophobicContact CB-CE1 4.49Å; L127-F176 HydrophobicContact CD2-CE1 4.39Å; L127-R180 PolarHBondContact O-NH2 2.97Å
128	P	90.6	Very high	81.8	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.019	22%	0.222	C	C	.	.			trans	-51.9	154.3	171	-26.1	32.1	0	0	0	113.6	G144 M145 L152 L156 F176 R180	P128-G144 WeakPolarHBondContact CA-O 3.32Å; P128-M145 HydrophobicContact CB-CG 4.41Å; P128-M145 HydrophobicContact CG-CG 4.43Å; P128-L152 HydrophobicContact CG-CD1 3.59Å; P128-L156 HydrophobicContact CB-CD1 3.73Å; P128-L156 HydrophobicContact CG-CD1 3.71Å; P128-F176 HydrophobicContact CB-CD1 4.12Å; P128-F176 HydrophobicContact CG-CD1 4.17Å; P128-F176 HydrophobicContact CG-CE1 4.32Å; P128-F176 WeakPolarHBondContact O-CA 3.41Å; P128-R180 PolarHBondContact O-NH1 3.11Å; P128-R180 PolarHBondContact O-NH2 3.14Å
129	I	91.2	Very high	82.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.2	173.6	-64.3	168	0	0	0	108.4	I18 T123 L142 T143 F176 V178 F181	I18-I129 HydrophobicContact CB-CD1 4.39Å; I18-I129 HydrophobicContact CG2-CD1 3.43Å; I18-I129 VanDerWaalsContact CG2-CD1 3.43Å; T123-I129 HydrophobicContact CG2-CD1 3.48Å; T123-I129 VanDerWaalsContact CG2-CD1 3.48Å; T123-I129 HydrophobicContact CG2-CG1 3.79Å; I129-L142 CarbonylContact O-C 3.49Å; I129-L142 VanDerWaalsContact O-CA 3.29Å; I129-L142 WeakPolarHBondContact O-CA 3.39Å; I129-T143 HydrophobicContact CB-CG2 3.96Å; I129-T143 HydrophobicContact CG2-CG2 4.36Å; I129-T143 PolarHBondContact N-O 3.47Å; I129-T143 PolarHBondContact O-N 2.86Å; I129-F176 CarbonylContact C-O 3.53Å; I129-F176 VanDerWaalsContact CA-O 3.3Å; I129-F176 WeakPolarHBondContact CA-O 3.5Å; I129-V178 HydrophobicContact CG2-CB 3.77Å; I129-V178 HydrophobicContact CG2-CG2 3.98Å; I129-F181 HydrophobicContact CD1-CD2 4.47Å; I129-F181 HydrophobicContact CD1-CE2 3.87Å; I129-F181 HydrophobicContact CG1-CE2 3.91Å
130	M	91.6	Very high	83.6	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	160.7	173.4	72.4	-175.8	-61	0	0	113.1	F140 C141 L142 L156 I159 A160 W163 T173 F176 E177 V178	M130-F140 HydrophobicContact CE-CZ 4.11Å; M130-C141 CarbonylContact C-O 3.49Å; M130-C141 WeakPolarHBondContact CA-O 3.33Å; M130-L142 HydrophobicContact CB-CD1 3.78Å; M130-L156 HydrophobicContact SD-CD2 4.18Å; M130-I159 HydrophobicContact CE-CB 4.3Å; M130-I159 HydrophobicContact CE-CG2 3.8Å; M130-A160 HydrophobicContact CE-CB 4.27Å; M130-W163 HydrophobicContact CE-CE3 4.01Å; M130-W163 HydrophobicContact CE-CZ3 4.26Å; M130-W163 HydrophobicContact CG-CZ3 4.3Å; M130-T173 HydrophobicContact CE-CG2 4.21Å; M130-T173 HydrophobicContact SD-CG2 3.8Å; M130-F176 HydrophobicContact CG-CB 3.78Å; M130-F176 PolarHBondContact N-O 3.48Å; M130-F176 HydrophobicContact SD-CB 3.9Å; M130-E177 CarbonylContact O-C 3.53Å; M130-E177 VanDerWaalsContact O-CA 3.23Å; M130-E177 WeakPolarHBondContact O-CA 3.38Å; M130-V178 PolarHBondContact O-N 3.48Å
131	G	90.3	Very high	84.5	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.9	177.8	172.4	0	0	0	0	0	113.8	F140 C141	G131-F140 VanDerWaalsContact CA-CE2 3.46Å; G131-F140 WeakPolarHBondContact O-CA 3.39Å; G131-C141 PolarHBondContact N-O 3.32Å; G131-C141 PolarHBondContact O-N 3.09Å; G131-C141 PolarHBondContact O-SG 3.32Å
132	F	86.2	Confident	85.3	Confident	78 Å²	78	46 Å²	46	34%	0.342	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.6	177.3	-67.9	-78.8	0	0	0	111.3	Y139 F140 W163 L164 V178	F132-Y139 WeakPolarHBondContact CA-O 3.23Å; F132-F140 HydrophobicContact CD1-CB 4.11Å; F132-F140 HydrophobicContact CD1-CD2 4.07Å; F132-F140 AromaticContact CD2-CD2 3.91Å; F132-F140 HydrophobicContact CD2-CD2 3.91Å; F132-F140 HydrophobicContact CD2-CE2 4.37Å; F132-F140 HydrophobicContact CE1-CB 4.03Å; F132-F140 AromaticContact CE1-CD2 3.96Å; F132-F140 HydrophobicContact CE1-CD2 3.96Å; F132-F140 AromaticContact CE2-CD2 3.81Å; F132-F140 HydrophobicContact CE2-CD2 3.81Å; F132-F140 HydrophobicContact CE2-CE2 4.24Å; F132-F140 HydrophobicContact CG-CD2 4.05Å; F132-F140 AromaticContact CZ-CD2 3.84Å; F132-F140 HydrophobicContact CZ-CD2 3.84Å; F132-W163 HydrophobicContact CD2-CZ2 4.37Å; F132-W163 AromaticContact CE2-NE1 3.86Å; F132-L164 HydrophobicContact CE1-CD2 4.21Å; F132-L164 HydrophobicContact CZ-CD2 3.96Å; F132-V178 WeakPolarHBondContact O-CG1 3.41Å
133	L	82.8	Confident	85.7	Confident	6 Å²	6	47.3 Å²	47.3	3%	0.031	23%	0.229	C	C	.	.			trans	-74	133.4	174.6	-96.5	78.7	0	0	0	110.2	F15 L16 I19 D135 F136 Y139 C141	F15-L133 HydrophobicContact CB-CD2 3.84Å; F15-L133 HydrophobicContact CB-CG 4.14Å; L16-L133 HydrophobicContact CB-CD2 4.44Å; L16-L133 HydrophobicContact CD1-CD2 4.29Å; I19-L133 HydrophobicContact CD1-CD1 3.99Å; I19-L133 HydrophobicContact CD1-CD2 3.95Å; L133-D135 PolarHBondContact O-N 2.74Å; L133-F136 HydrophobicContact CB-CD2 4.29Å; L133-F136 HydrophobicContact CD2-CD2 4.11Å; L133-F136 HydrophobicContact CD2-CE2 4.47Å; L133-F136 PolarHBondContact O-N 3.43Å; L133-F136 VanDerWaalsContact O-O 3.1Å; L133-Y139 HydrophobicContact CB-CD1 4.12Å; L133-Y139 HydrophobicContact CD1-CD1 3.67Å; L133-Y139 HydrophobicContact CD1-CE1 3.89Å; L133-Y139 HydrophobicContact CD2-CD1 4.2Å; L133-Y139 HydrophobicContact CD2-CE1 4.31Å; L133-Y139 HydrophobicContact CG-CD1 4.18Å; L133-Y139 PolarHBondContact N-O 3.41Å; L133-C141 HydrophobicContact CD1-CB 3.77Å; L133-C141 VanDerWaalsContact CD1-SG 3.52Å
134	P	72.1	Confident	85.6	Confident	39 Å²	39	47.7 Å²	47.7	25%	0.253	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.3	175.8	-32.7	41.1	0	0	0	114.4	F15 F136 L395	F15-P134 HydrophobicContact CD2-CB 4.29Å; F15-P134 HydrophobicContact CD2-CG 3.83Å; F15-P134 HydrophobicContact CE2-CB 4.47Å; F15-P134 HydrophobicContact CE2-CG 3.88Å; F15-P134 HydrophobicContact CG-CG 4.29Å; F15-P134 HydrophobicContact CZ-CG 4.37Å; P134-F136 VanDerWaalsContact C-N 3.32Å; P134-F136 PolarHBondContact O-N 2.84Å; P134-L395 HydrophobicContact CB-CD1 4.44Å; P134-L395 HydrophobicContact CB-CD2 3.33Å; P134-L395 HydrophobicContact CB-CG 4.48Å; P134-L395 HydrophobicContact CG-CD1 3.59Å; P134-L395 HydrophobicContact CG-CD2 3.42Å; P134-L395 VanDerWaalsContact CG-CD2 3.42Å; P134-L395 HydrophobicContact CG-CG 4.09Å
135	D	71.9	Confident	85.5	Confident	32 Å²	32	48.6 Å²	48.6	17%	0.171	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-16	-165	-58.4	-18.6	0	0	0	111.9	F12 F15 L133	F12-D135 VanDerWaalsContact C-OD2 3.3Å; F12-D135 WeakPolarHBondContact CA-OD1 3.26Å; F12-D135 HydrophobicContact CB-CB 4.12Å; F12-D135 WeakPolarHBondContact CB-OD1 3.42Å; F12-D135 WeakPolarHBondContact CD1-OD1 3.09Å; F12-D135 WeakPolarHBondContact O-CB 3.45Å; F15-D135 PolarHBondContact N-OD2 3.45Å; L133-D135 PolarHBondContact O-N 2.74Å
136	F	80.2	Confident	85.1	Confident	93 Å²	93	46.9 Å²	46.9	41%	0.408	23%	0.229	S	C	.	.	S	Bend	trans	-136.1	124	-169.7	-61	-80.9	0	0	0	111.3	L16 L133 P134 N138 Y139	L16-F136 HydrophobicContact CB-CE2 4.45Å; L16-F136 HydrophobicContact CD1-CD2 4.01Å; L16-F136 HydrophobicContact CD1-CE2 3.42Å; L16-F136 VanDerWaalsContact CD1-CE2 3.42Å; L16-F136 HydrophobicContact CD1-CZ 3.85Å; L133-F136 HydrophobicContact CB-CD2 4.29Å; L133-F136 HydrophobicContact CD2-CD2 4.11Å; L133-F136 HydrophobicContact CD2-CE2 4.47Å; L133-F136 PolarHBondContact O-N 3.43Å; L133-F136 VanDerWaalsContact O-O 3.1Å; P134-F136 VanDerWaalsContact C-N 3.32Å; P134-F136 PolarHBondContact O-N 2.84Å; F136-N138 PolarHBondContact O-N 3.08Å; F136-Y139 HydrophobicContact CB-CG 4.34Å
137	R	75.7	Confident	84.7	Confident	232 Å²	232	47.7 Å²	47.7	88%	0.875	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	130.5	174.3	-170.3	176	-177.8	178.7	2.1	110.1	Y139	R137-Y139 PolarHBondContact O-N 2.96Å
138	N	84.8	Confident	84.4	Confident	136 Å²	136	47.3 Å²	47.3	73%	0.727	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	25.2	175.8	-55.1	-22.3	0	0	0	114.8	F136	F136-N138 PolarHBondContact O-N 3.08Å
139	Y	89.3	Confident	84	Confident	98 Å²	98	48.8 Å²	48.8	38%	0.384	25%	0.252	S	S	.	.			trans	-100.4	111.1	171.9	-170.1	-82.3	0	0	0	109.7	I19 F132 L133 F136 R137 C141	I19-Y139 HydrophobicContact CD1-CE1 3.97Å; F132-Y139 WeakPolarHBondContact CA-O 3.23Å; L133-Y139 HydrophobicContact CB-CD1 4.12Å; L133-Y139 HydrophobicContact CD1-CD1 3.67Å; L133-Y139 HydrophobicContact CD1-CE1 3.89Å; L133-Y139 HydrophobicContact CD2-CD1 4.2Å; L133-Y139 HydrophobicContact CD2-CE1 4.31Å; L133-Y139 HydrophobicContact CG-CD1 4.18Å; L133-Y139 PolarHBondContact N-O 3.41Å; F136-Y139 HydrophobicContact CB-CG 4.34Å; R137-Y139 PolarHBondContact O-N 2.96Å; Y139-C141 HydrophobicContact CE1-CB 4.43Å
140	F	90.5	Very high	83.6	Confident	39 Å²	39	55.3 Å²	55.3	17%	0.171	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.3	177.3	-169.5	-83.5	0	0	0	109.6	M130 G131 F132 L142 A160 W163 L164	M130-F140 HydrophobicContact CE-CZ 4.11Å; G131-F140 VanDerWaalsContact CA-CE2 3.46Å; G131-F140 WeakPolarHBondContact O-CA 3.39Å; F132-F140 HydrophobicContact CD1-CB 4.11Å; F132-F140 HydrophobicContact CD1-CD2 4.07Å; F132-F140 AromaticContact CD2-CD2 3.91Å; F132-F140 HydrophobicContact CD2-CD2 3.91Å; F132-F140 HydrophobicContact CD2-CE2 4.37Å; F132-F140 HydrophobicContact CE1-CB 4.03Å; F132-F140 AromaticContact CE1-CD2 3.96Å; F132-F140 HydrophobicContact CE1-CD2 3.96Å; F132-F140 AromaticContact CE2-CD2 3.81Å; F132-F140 HydrophobicContact CE2-CD2 3.81Å; F132-F140 HydrophobicContact CE2-CE2 4.24Å; F132-F140 HydrophobicContact CG-CD2 4.05Å; F132-F140 AromaticContact CZ-CD2 3.84Å; F132-F140 HydrophobicContact CZ-CD2 3.84Å; F140-L142 HydrophobicContact CE1-CB 4.42Å; F140-A160 HydrophobicContact CE1-CB 3.69Å; F140-A160 HydrophobicContact CZ-CB 3.97Å; F140-W163 HydrophobicContact CE2-CB 4.48Å; F140-W163 AromaticContact CE2-CD2 3.75Å; F140-W163 HydrophobicContact CE2-CD2 3.75Å; F140-W163 AromaticContact CE2-CE3 3.58Å; F140-W163 HydrophobicContact CE2-CE3 3.58Å; F140-W163 HydrophobicContact CE2-CG 4.18Å; F140-W163 HydrophobicContact CE2-CZ3 4.06Å; F140-W163 HydrophobicContact CZ-CD2 4.31Å; F140-W163 AromaticContact CZ-CE3 3.75Å; F140-W163 HydrophobicContact CZ-CE3 3.75Å; F140-W163 HydrophobicContact CZ-CZ3 4.24Å; F140-L164 HydrophobicContact CB-CD2 3.81Å; F140-L164 HydrophobicContact CD2-CD2 3.93Å; F140-L164 HydrophobicContact CD2-CG 4.47Å; F140-L164 HydrophobicContact CG-CD2 3.85Å; F140-L164 HydrophobicContact CG-CG 4.43Å
141	C	90.1	Very high	83.4	Confident	7 Å²	7	59.3 Å²	59.3	5%	0.047	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	150.2	172.4	69.6	0	0	0	0	111.3	I19 M130 G131 L133 Y139	I19-C141 HydrophobicContact CD1-CB 4.16Å; M130-C141 CarbonylContact C-O 3.49Å; M130-C141 WeakPolarHBondContact CA-O 3.33Å; G131-C141 PolarHBondContact N-O 3.32Å; G131-C141 PolarHBondContact O-N 3.09Å; G131-C141 PolarHBondContact O-SG 3.32Å; L133-C141 HydrophobicContact CD1-CB 3.77Å; L133-C141 VanDerWaalsContact CD1-SG 3.52Å; Y139-C141 HydrophobicContact CE1-CB 4.43Å
142	L	91.7	Very high	83.4	Confident	55 Å²	55	62.1 Å²	62.1	29%	0.288	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	102.1	161.9	175.8	59.9	0	0	0	106.6	I129 M130 F140 M145 L156 A160	I129-L142 CarbonylContact O-C 3.49Å; I129-L142 VanDerWaalsContact O-CA 3.29Å; I129-L142 WeakPolarHBondContact O-CA 3.39Å; M130-L142 HydrophobicContact CB-CD1 3.78Å; F140-L142 HydrophobicContact CE1-CB 4.42Å; L142-M145 HydrophobicContact CD1-CE 3.87Å; L142-M145 HydrophobicContact CD2-CE 4.11Å; L142-M145 HydrophobicContact CG-CE 3.78Å; L142-L156 HydrophobicContact CD1-CB 3.95Å; L142-L156 HydrophobicContact CD1-CD1 4.18Å; L142-L156 HydrophobicContact CD2-CB 4.13Å; L142-A160 HydrophobicContact CD2-CB 4.21Å
143	T	88.9	Confident	83.6	Confident	39 Å²	39	60.7 Å²	60.7	24%	0.239	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	-179.4	-168	-170.4	0	0	0	0	111.4	I19 I129 M145	I19-T143 HydrophobicContact CB-CG2 4.27Å; I19-T143 HydrophobicContact CG1-CG2 4.45Å; I19-T143 HydrophobicContact CG2-CG2 3.91Å; I19-T143 PolarHBondContact O-OG1 3.33Å; I129-T143 HydrophobicContact CB-CG2 3.96Å; I129-T143 HydrophobicContact CG2-CG2 4.36Å; I129-T143 PolarHBondContact N-O 3.47Å; I129-T143 PolarHBondContact O-N 2.86Å; T143-M145 PolarHBondContact O-N 3.12Å
144	G	82.2	Confident	84.1	Confident	9 Å²	9	64.9 Å²	64.9	9%	0.093	37%	0.366	C	S	.	.			trans	69.2	36.4	166.3	0	0	0	0	0	114.1	T123 P128 S146	T123-G144 VanDerWaalsContact CG2-O 3.25Å; T123-G144 WeakPolarHBondContact CG2-O 3.42Å; P128-G144 WeakPolarHBondContact CA-O 3.32Å; G144-S146 PolarHBondContact O-N 3.45Å; G144-S146 VanDerWaalsContact O-N 3.14Å; G144-S146 PolarHBondContact O-OG 3.04Å
145	M	84.8	Confident	85.1	Confident	20 Å²	20	65 Å²	65	10%	0.099	38%	0.375	C	S	.	.			trans	-73.8	1.1	-174.6	-57	-148.5	-169.9	0	0	114.8	P128 L142 T143 G147 S148 A149 L152 C153 L156	P128-M145 HydrophobicContact CB-CG 4.41Å; P128-M145 HydrophobicContact CG-CG 4.43Å; L142-M145 HydrophobicContact CD1-CE 3.87Å; L142-M145 HydrophobicContact CD2-CE 4.11Å; L142-M145 HydrophobicContact CG-CE 3.78Å; T143-M145 PolarHBondContact O-N 3.12Å; M145-G147 PolarHBondContact O-N 3.47Å; M145-S148 WeakPolarHBondContact O-CA 3.35Å; M145-S148 WeakPolarHBondContact O-CB 3.36Å; M145-S148 PolarHBondContact O-N 2.97Å; M145-A149 HydrophobicContact CB-CB 3.87Å; M145-A149 HydrophobicContact CG-CB 4.41Å; M145-A149 HydrophobicContact SD-CB 4.26Å; M145-L152 HydrophobicContact SD-CB 4.1Å; M145-C153 WeakPolarHBondContact CE-SG 3.31Å; M145-C153 VanDerWaalsContact SD-SG 3.61Å; M145-L156 HydrophobicContact CE-CD1 4Å; M145-L156 HydrophobicContact SD-CD1 4.08Å
146	S	79.3	Confident	86.1	Confident	12 Å²	12	64 Å²	64	8%	0.084	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	52.3	162.4	-53.5	0	0	0	0	114.6	G121 T123 G126 G144 S148	G121-S146 WeakPolarHBondContact O-CA 2.97Å; G121-S146 PolarHBondContact O-N 2.97Å; T123-S146 PolarHBondContact N-OG 3.06Å; T123-S146 PolarHBondContact OG1-OG 3.39Å; G126-S146 WeakPolarHBondContact O-CB 3.43Å; G144-S146 PolarHBondContact O-N 3.45Å; G144-S146 VanDerWaalsContact O-N 3.14Å; G144-S146 PolarHBondContact O-OG 3.04Å; S146-S148 VanDerWaalsContact C-N 3.32Å; S146-S148 PolarHBondContact O-N 3.33Å
147	G	76.1	Confident	86.8	Confident	39 Å²	39	62.4 Å²	62.4	40%	0.402	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-10.3	-179.6	0	0	0	0	0	115.4	E120 M145	E120-G147 WeakPolarHBondContact OE1-CA 3.18Å; E120-G147 PolarHBondContact OE1-N 3.22Å; E120-G147 VanDerWaalsContact OE2-CA 3.27Å; E120-G147 WeakPolarHBondContact OE2-CA 3.44Å; M145-G147 PolarHBondContact O-N 3.47Å
148	S	82.1	Confident	87.7	Confident	55 Å²	55	59.8 Å²	59.8	39%	0.385	36%	0.36	S	S	.	.			trans	-113.5	17.2	-171.1	-59	0	0	0	0	113.6	M145 S146 V150 A151 L152	M145-S148 WeakPolarHBondContact O-CA 3.35Å; M145-S148 WeakPolarHBondContact O-CB 3.36Å; M145-S148 PolarHBondContact O-N 2.97Å; S146-S148 VanDerWaalsContact C-N 3.32Å; S146-S148 PolarHBondContact O-N 3.33Å; S148-V150 PolarHBondContact O-N 3.15Å; S148-A151 PolarHBondContact O-N 3.17Å; S148-L152 WeakPolarHBondContact O-CB 3.3Å; S148-L152 WeakPolarHBondContact O-CG 3.49Å; S148-L152 PolarHBondContact O-N 2.84Å
149	A	81.2	Confident	88.1	Confident	35 Å²	35	55 Å²	55	29%	0.289	33%	0.334	S	S	.	.	H	α-helix	trans	-56.5	-49.9	-172.2	0	0	0	0	0	112.6	M145 A151 L152 C153	M145-A149 HydrophobicContact CB-CB 3.87Å; M145-A149 HydrophobicContact CG-CB 4.41Å; M145-A149 HydrophobicContact SD-CB 4.26Å; A149-A151 VanDerWaalsContact C-N 3.32Å; A149-A151 PolarHBondContact O-N 2.99Å; A149-L152 PolarHBondContact O-N 3.26Å; A149-C153 WeakPolarHBondContact O-CB 3.44Å; A149-C153 PolarHBondContact O-N 2.81Å; A149-C153 PolarHBondContact O-SG 3.45Å
150	V	83.8	Confident	88.3	Confident	136 Å²	136	50.8 Å²	50.8	82%	0.824	32%	0.319	S	S	*	.	H	α-helix	trans	-61.1	-41.5	-177.2	-179.2	0	0	0	0	111.6	S148	S148-V150 PolarHBondContact O-N 3.15Å
151	A	87.6	Confident	88.4	Confident	84 Å²	84	51.3 Å²	51.3	69%	0.694	33%	0.33	S	S	*	.	H	α-helix	trans	-71.5	-38.3	-179.6	0	0	0	0	0	112.8	S148 A149	S148-A151 PolarHBondContact O-N 3.17Å; A149-A151 VanDerWaalsContact C-N 3.32Å; A149-A151 PolarHBondContact O-N 2.99Å
152	L	90.1	Very high	88.5	Confident	61 Å²	61	54.4 Å²	54.4	32%	0.319	34%	0.344	S	S	.	.	H	α-helix	trans	-94.1	-27.2	-171	-60.9	178.4	0	0	0	113.8	P128 M145 S148 A149 G155 L156	P128-L152 HydrophobicContact CG-CD1 3.59Å; M145-L152 HydrophobicContact SD-CB 4.1Å; S148-L152 WeakPolarHBondContact O-CB 3.3Å; S148-L152 WeakPolarHBondContact O-CG 3.49Å; S148-L152 PolarHBondContact O-N 2.84Å; A149-L152 PolarHBondContact O-N 3.26Å; L152-G155 PolarHBondContact O-N 2.72Å; L152-L156 HydrophobicContact CB-CD1 3.81Å; L152-L156 HydrophobicContact CB-CG 4.33Å; L152-L156 WeakPolarHBondContact O-CG 3.36Å; L152-L156 PolarHBondContact O-N 2.87Å
153	C	90.9	Very high	88.5	Confident	47 Å²	47	53 Å²	53	32%	0.318	34%	0.335	S	S	.	.	H	α-helix	trans	-51.5	-48.1	-174.8	-91.6	0	0	0	0	114.2	M145 A149 G155 L156 S157	M145-C153 WeakPolarHBondContact CE-SG 3.31Å; M145-C153 VanDerWaalsContact SD-SG 3.61Å; A149-C153 WeakPolarHBondContact O-CB 3.44Å; A149-C153 PolarHBondContact O-N 2.81Å; A149-C153 PolarHBondContact O-SG 3.45Å; C153-G155 VanDerWaalsContact C-N 3.34Å; C153-G155 PolarHBondContact O-N 3.24Å; C153-L156 PolarHBondContact O-N 3.49Å; C153-S157 WeakPolarHBondContact O-CB 3.45Å; C153-S157 PolarHBondContact O-N 3.47Å; C153-S157 PolarHBondContact O-OG 2.86Å
154	P	93.6	Very high	88.6	Confident	94 Å²	94	55.9 Å²	55.9	61%	0.61	35%	0.348	S	S	*	.	H	α-helix	trans	-60.2	-42.6	-177	-25.2	35.1	0	0	0	112.9	R158	P154-R158 PolarHBondContact O-N 3.13Å
155	G	92.8	Very high	89	Confident	43 Å²	43	63 Å²	63	44%	0.443	38%	0.384	S	S	.	.	H	α-helix	trans	-71.4	-50	179.1	0	0	0	0	0	112.3	L152 C153 S157 R158 I159	L152-G155 PolarHBondContact O-N 2.72Å; C153-G155 VanDerWaalsContact C-N 3.34Å; C153-G155 PolarHBondContact O-N 3.24Å; G155-S157 PolarHBondContact O-N 3.08Å; G155-R158 PolarHBondContact O-N 2.86Å; G155-I159 WeakPolarHBondContact O-CG1 3.48Å; G155-I159 PolarHBondContact O-N 3.4Å; G155-I159 VanDerWaalsContact O-N 3.1Å
156	L	92.9	Very high	89	Confident	11 Å²	11	64.9 Å²	64.9	6%	0.058	40%	0.399	C	S	.	.	H	α-helix	trans	-66.6	-36.9	-177.3	-67.1	178	0	0	0	112.6	P128 M130 L142 M145 L152 C153 R158 I159 A160 F176	P128-L156 HydrophobicContact CB-CD1 3.73Å; P128-L156 HydrophobicContact CG-CD1 3.71Å; M130-L156 HydrophobicContact SD-CD2 4.18Å; L142-L156 HydrophobicContact CD1-CB 3.95Å; L142-L156 HydrophobicContact CD1-CD1 4.18Å; L142-L156 HydrophobicContact CD2-CB 4.13Å; M145-L156 HydrophobicContact CE-CD1 4Å; M145-L156 HydrophobicContact SD-CD1 4.08Å; L152-L156 HydrophobicContact CB-CD1 3.81Å; L152-L156 HydrophobicContact CB-CG 4.33Å; L152-L156 WeakPolarHBondContact O-CG 3.36Å; L152-L156 PolarHBondContact O-N 2.87Å; C153-L156 PolarHBondContact O-N 3.49Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 2.98Å; L156-I159 PolarHBondContact O-N 3.11Å; L156-A160 WeakPolarHBondContact O-CB 3.25Å; L156-A160 PolarHBondContact O-N 3.09Å; L156-F176 HydrophobicContact CD2-CD2 4.32Å; L156-F176 HydrophobicContact CD2-CE2 4.49Å
157	S	93.6	Very high	88.9	Confident	59 Å²	59	68.5 Å²	68.5	41%	0.413	42%	0.424	S	S	.	.	H	α-helix	trans	-66	-36.6	177.1	-56.6	0	0	0	0	111.6	C153 G155 A160 A161	C153-S157 WeakPolarHBondContact O-CB 3.45Å; C153-S157 PolarHBondContact O-N 3.47Å; C153-S157 PolarHBondContact O-OG 2.86Å; G155-S157 PolarHBondContact O-N 3.08Å; S157-A160 PolarHBondContact O-N 3.04Å; S157-A161 WeakPolarHBondContact O-CB 3.44Å; S157-A161 PolarHBondContact O-N 2.99Å
158	R	94.4	Very high	89.1	Confident	177 Å²	177	68.1 Å²	68.1	67%	0.668	41%	0.412	S	S	*	.	H	α-helix	trans	-64.2	-45	173.1	-179.7	177.4	178.8	158.3	0.9	111.7	P154 G155 L156 A161 Q162	P154-R158 PolarHBondContact O-N 3.13Å; G155-R158 PolarHBondContact O-N 2.86Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 2.98Å; R158-A161 PolarHBondContact O-N 3.43Å; R158-Q162 WeakPolarHBondContact O-CG 3.4Å; R158-Q162 PolarHBondContact O-N 3.17Å
159	I	93.5	Very high	89.2	Confident	36 Å²	36	66.1 Å²	66.1	19%	0.185	40%	0.397	C	S	.	.	H	α-helix	trans	-63.4	-44.1	177.2	-64.1	169.6	0	0	0	110.2	M130 G155 L156 Q162 W163 P169 T173	M130-I159 HydrophobicContact CE-CB 4.3Å; M130-I159 HydrophobicContact CE-CG2 3.8Å; G155-I159 WeakPolarHBondContact O-CG1 3.48Å; G155-I159 PolarHBondContact O-N 3.4Å; G155-I159 VanDerWaalsContact O-N 3.1Å; L156-I159 PolarHBondContact O-N 3.11Å; I159-Q162 PolarHBondContact O-N 2.84Å; I159-W163 WeakPolarHBondContact O-CB 3.49Å; I159-W163 PolarHBondContact O-N 2.78Å; I159-P169 HydrophobicContact CG2-CB 4.31Å; I159-T173 HydrophobicContact CG2-CG2 3.63Å
160	A	93.4	Very high	89.1	Confident	8 Å²	8	67.2 Å²	67.2	7%	0.066	41%	0.406	C	S	.	.	H	α-helix	trans	-60.5	-46.9	176.8	0	0	0	0	0	111.8	M130 F140 L142 L156 S157 Q162 W163 L164	M130-A160 HydrophobicContact CE-CB 4.27Å; F140-A160 HydrophobicContact CE1-CB 3.69Å; F140-A160 HydrophobicContact CZ-CB 3.97Å; L142-A160 HydrophobicContact CD2-CB 4.21Å; L156-A160 WeakPolarHBondContact O-CB 3.25Å; L156-A160 PolarHBondContact O-N 3.09Å; S157-A160 PolarHBondContact O-N 3.04Å; A160-Q162 VanDerWaalsContact C-N 3.34Å; A160-Q162 PolarHBondContact O-N 2.88Å; A160-W163 PolarHBondContact O-N 2.87Å; A160-L164 WeakPolarHBondContact O-CG 3.47Å; A160-L164 PolarHBondContact O-N 3.3Å
161	A	93.9	Very high	89.2	Confident	50 Å²	50	62.9 Å²	62.9	41%	0.413	39%	0.385	S	S	.	.	H	α-helix	trans	-59.5	-43.5	176.9	0	0	0	0	0	112	S157 R158 L164 L165	S157-A161 WeakPolarHBondContact O-CB 3.44Å; S157-A161 PolarHBondContact O-N 2.99Å; R158-A161 PolarHBondContact O-N 3.43Å; A161-L164 PolarHBondContact O-N 2.8Å; A161-L165 VanDerWaalsContact O-CG 3.31Å; A161-L165 WeakPolarHBondContact O-CG 3.22Å; A161-L165 PolarHBondContact O-N 2.92Å
162	Q	92.1	Very high	89.1	Confident	73 Å²	73	61.4 Å²	61.4	34%	0.341	37%	0.365	S	S	.	.	H	α-helix	trans	-63.7	-42.5	175.6	-72.5	174.8	-16.9	0	0	111.9	R158 I159 A160 L165 S166	R158-Q162 WeakPolarHBondContact O-CG 3.4Å; R158-Q162 PolarHBondContact O-N 3.17Å; I159-Q162 PolarHBondContact O-N 2.84Å; A160-Q162 VanDerWaalsContact C-N 3.34Å; A160-Q162 PolarHBondContact O-N 2.88Å; Q162-L165 PolarHBondContact O-N 2.88Å; Q162-S166 WeakPolarHBondContact O-CB 3.34Å; Q162-S166 PolarHBondContact O-N 2.89Å; Q162-S166 PolarHBondContact O-OG 2.92Å
163	W	91.3	Very high	89.2	Confident	26 Å²	26	58.5 Å²	58.5	10%	0.098	35%	0.35	C	S	.	.	H	α-helix	trans	-66.1	-40	178.4	-167.2	-0.6	0	0	0	111.4	M130 F132 F140 I159 A160 L165 S166 P169 E177	M130-W163 HydrophobicContact CE-CE3 4.01Å; M130-W163 HydrophobicContact CE-CZ3 4.26Å; M130-W163 HydrophobicContact CG-CZ3 4.3Å; F132-W163 HydrophobicContact CD2-CZ2 4.37Å; F132-W163 AromaticContact CE2-NE1 3.86Å; F140-W163 HydrophobicContact CE2-CB 4.48Å; F140-W163 AromaticContact CE2-CD2 3.75Å; F140-W163 HydrophobicContact CE2-CD2 3.75Å; F140-W163 AromaticContact CE2-CE3 3.58Å; F140-W163 HydrophobicContact CE2-CE3 3.58Å; F140-W163 HydrophobicContact CE2-CG 4.18Å; F140-W163 HydrophobicContact CE2-CZ3 4.06Å; F140-W163 HydrophobicContact CZ-CD2 4.31Å; F140-W163 AromaticContact CZ-CE3 3.75Å; F140-W163 HydrophobicContact CZ-CE3 3.75Å; F140-W163 HydrophobicContact CZ-CZ3 4.24Å; I159-W163 WeakPolarHBondContact O-CB 3.49Å; I159-W163 PolarHBondContact O-N 2.78Å; A160-W163 PolarHBondContact O-N 2.87Å; W163-L165 VanDerWaalsContact C-N 3.27Å; W163-L165 PolarHBondContact O-N 2.8Å; W163-S166 CarbonylContact O-C 3.58Å; W163-S166 PolarHBondContact O-N 2.66Å; W163-P169 HydrophobicContact CB-CB 4.27Å; W163-P169 HydrophobicContact CD2-CB 3.84Å; W163-P169 HydrophobicContact CD2-CG 4.06Å; W163-P169 HydrophobicContact CE3-CB 3.88Å; W163-P169 HydrophobicContact CE3-CG 4.18Å; W163-P169 HydrophobicContact CG-CB 4.01Å; W163-P169 HydrophobicContact CZ2-CG 4.43Å; W163-P169 HydrophobicContact CZ3-CG 4.42Å; W163-E177 HydrophobicContact CH2-CG 3.99Å; W163-E177 HydrophobicContact CZ3-CG 4.39Å
164	L	91.9	Very high	89.1	Confident	98 Å²	98	56.9 Å²	56.9	51%	0.513	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-30.8	176	-72.5	169.4	0	0	0	113.3	F132 F140 A160 A161	F132-L164 HydrophobicContact CE1-CD2 4.21Å; F132-L164 HydrophobicContact CZ-CD2 3.96Å; F140-L164 HydrophobicContact CB-CD2 3.81Å; F140-L164 HydrophobicContact CD2-CD2 3.93Å; F140-L164 HydrophobicContact CD2-CG 4.47Å; F140-L164 HydrophobicContact CG-CD2 3.85Å; F140-L164 HydrophobicContact CG-CG 4.43Å; A160-L164 WeakPolarHBondContact O-CG 3.47Å; A160-L164 PolarHBondContact O-N 3.3Å; A161-L164 PolarHBondContact O-N 2.8Å
165	L	90.8	Very high	88.9	Confident	159 Å²	159	58.6 Å²	58.6	83%	0.832	34%	0.337	S	S	*	.	H	α-helix	trans	-84.4	-9.5	177.8	-67.9	172.9	0	0	0	113.7	A161 Q162 W163	A161-L165 VanDerWaalsContact O-CG 3.31Å; A161-L165 WeakPolarHBondContact O-CG 3.22Å; A161-L165 PolarHBondContact O-N 2.92Å; Q162-L165 PolarHBondContact O-N 2.88Å; W163-L165 VanDerWaalsContact C-N 3.27Å; W163-L165 PolarHBondContact O-N 2.8Å
166	S	84.8	Confident	88.8	Confident	59 Å²	59	59.2 Å²	59.2	41%	0.413	33%	0.328	S	S	.	.	S	Bend	trans	-130.5	-179.8	-177.1	60.5	0	0	0	0	110.6	Q162 W163 E168	Q162-S166 WeakPolarHBondContact O-CB 3.34Å; Q162-S166 PolarHBondContact O-N 2.89Å; Q162-S166 PolarHBondContact O-OG 2.92Å; W163-S166 CarbonylContact O-C 3.58Å; W163-S166 PolarHBondContact O-N 2.66Å; S166-E168 PolarHBondContact OG-O 2.89Å
167	S	76.1	Confident	88.7	Confident	89 Å²	89	59.9 Å²	59.9	62%	0.622	33%	0.331	S	S	*	.	S	Bend	trans	-83.7	-14.8	173.8	49.5	0	0	0	0	112.9
168	E	80.2	Confident	88.5	Confident	31 Å²	31	57.2 Å²	57.2	15%	0.145	31%	0.312	C	S	.	.	S	Bend	trans	-153.5	151.8	-170.5	58.5	169.2	170.1	0	0	113.4	S166 N367 R369	S166-E168 PolarHBondContact OG-O 2.89Å; E168-N367 WeakPolarHBondContact OE2-CB 3.3Å; E168-N367 PolarHBondContact OE2-ND2 3.33Å; E168-N367 VanDerWaalsContact OE2-ND2 3.12Å; E168-R369 VanDerWaalsContact CD-CZ 3.5Å; E168-R369 VanDerWaalsContact CD-NH2 3.27Å; E168-R369 WeakPolarHBondContact OE1-CD 3.26Å; E168-R369 WeakPolarHBondContact OE1-CG 3.11Å; E168-R369 IonicContact OE1-CZ 2.77Å; E168-R369 PolarHBondContact OE1-N 3.43Å; E168-R369 IonicContact OE1-NE 3.45Å; E168-R369 PolarHBondContact OE1-NE 2.85Å; E168-R369 IonicContact OE1-NH2 3.48Å; E168-R369 IonicContact OE2-CZ 3.96Å; E168-R369 IonicContact OE2-NE 2.92Å; E168-R369 PolarHBondContact OE2-NE 3.46Å; E168-R369 VanDerWaalsContact OE2-NE 3.14Å; E168-R369 IonicContact OE2-NH2 3.75Å; E168-R369 PolarHBondContact OE2-NH2 3.24Å
169	P	85	Confident	88.2	Confident	12 Å²	12	49.3 Å²	49.3	8%	0.078	28%	0.284	C	S	.	.			trans	-71.9	141.2	-175	27.2	-31.5	0	0	0	112	I159 W163 A171 T173 R369	I159-P169 HydrophobicContact CG2-CB 4.31Å; W163-P169 HydrophobicContact CB-CB 4.27Å; W163-P169 HydrophobicContact CD2-CB 3.84Å; W163-P169 HydrophobicContact CD2-CG 4.06Å; W163-P169 HydrophobicContact CE3-CB 3.88Å; W163-P169 HydrophobicContact CE3-CG 4.18Å; W163-P169 HydrophobicContact CG-CB 4.01Å; W163-P169 HydrophobicContact CZ2-CG 4.43Å; W163-P169 HydrophobicContact CZ3-CG 4.42Å; P169-A171 PolarHBondContact O-N 3.44Å; P169-T173 HydrophobicContact CB-CG2 3.82Å; P169-T173 HydrophobicContact CG-CG2 4.22Å; P169-T173 VanDerWaalsContact CG-OG1 3.25Å; P169-T173 WeakPolarHBondContact CG-OG1 3.33Å; P169-R369 PolarHBondContact O-NH1 2.95Å; P169-R369 PolarHBondContact O-NH2 2.89Å
170	A	79	Confident	88	Confident	58 Å²	58	48.7 Å²	48.7	48%	0.479	28%	0.279	S	S	.	.	S	Bend	trans	-63.6	-28.6	-178.4	0	0	0	0	0	113.7	R369	A170-R369 PolarHBondContact O-NH1 2.88Å; A170-R369 VanDerWaalsContact O-NH1 3.13Å
171	A	84.8	Confident	87.9	Confident	46 Å²	46	48.7 Å²	48.7	38%	0.38	28%	0.278	S	S	.	.	S	Bend	trans	-115.2	165.7	175.8	0	0	0	0	0	110.8	P169 T173	P169-A171 PolarHBondContact O-N 3.44Å; A171-T173 PolarHBondContact O-N 3.49Å
172	D	86.9	Confident	87.7	Confident	52 Å²	52	46.5 Å²	46.5	28%	0.278	26%	0.259	S	S	.	.			trans	-72.1	111.3	173.6	-179.8	26.4	0	0	0	110.5	S174 T522 S523	D172-S174 VanDerWaalsContact OD1-CB 3.27Å; D172-S174 WeakPolarHBondContact OD1-CB 3Å; D172-S174 PolarHBondContact OD1-N 3.11Å; D172-S174 PolarHBondContact OD1-OG 3.28Å; D172-S174 PolarHBondContact OD2-OG 3.02Å; D172-T522 WeakPolarHBondContact OD2-CB 3.31Å; D172-T522 VanDerWaalsContact OD2-CG2 3.23Å; D172-T522 WeakPolarHBondContact OD2-CG2 3.1Å; D172-T522 PolarHBondContact OD2-OG1 3.32Å; D172-S523 PolarHBondContact OD1-OG 2.85Å
173	T	91	Very high	87.4	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	27%	0.265	C	S	.	.			trans	-101.9	8.2	-179.4	49.2	0	0	0	0	113.1	M130 I159 P169 A171 K175 F176 E177	M130-T173 HydrophobicContact CE-CG2 4.21Å; M130-T173 HydrophobicContact SD-CG2 3.8Å; I159-T173 HydrophobicContact CG2-CG2 3.63Å; P169-T173 HydrophobicContact CB-CG2 3.82Å; P169-T173 HydrophobicContact CG-CG2 4.22Å; P169-T173 VanDerWaalsContact CG-OG1 3.25Å; P169-T173 WeakPolarHBondContact CG-OG1 3.33Å; A171-T173 PolarHBondContact O-N 3.49Å; T173-K175 PolarHBondContact O-N 3.38Å; T173-F176 CarbonylContact O-C 3.53Å; T173-F176 WeakPolarHBondContact O-CA 3.19Å; T173-F176 PolarHBondContact O-N 3.04Å; T173-E177 WeakPolarHBondContact O-CG 3.39Å; T173-E177 PolarHBondContact O-N 3.1Å; T173-E177 PolarHBondContact OG1-OE1 3.21Å
174	S	89	Confident	87.3	Confident	13 Å²	13	47.5 Å²	47.5	9%	0.091	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.2	-170.5	55.7	0	0	0	0	114.9	D172 R392	D172-S174 VanDerWaalsContact OD1-CB 3.27Å; D172-S174 WeakPolarHBondContact OD1-CB 3Å; D172-S174 PolarHBondContact OD1-N 3.11Å; D172-S174 PolarHBondContact OD1-OG 3.28Å; D172-S174 PolarHBondContact OD2-OG 3.02Å; S174-R392 PolarHBondContact O-NH2 3.01Å
175	K	88.9	Confident	87.2	Confident	129 Å²	129	43.1 Å²	43.1	56%	0.561	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.6	175.1	-67.3	-171.1	178.4	-176.8	0	114.6	L127 T173 R180	L127-K175 HydrophobicContact CD1-CB 4.35Å; T173-K175 PolarHBondContact O-N 3.38Å; K175-R180 WeakPolarHBondContact O-CD 3.37Å; K175-R180 PolarHBondContact O-NE 2.82Å
176	F	91.5	Very high	86.8	Confident	56 Å²	56	35.9 Å²	35.9	25%	0.246	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-12.7	-179.9	-53.5	-60.7	0	0	0	112.4	L127 P128 I129 M130 L156 T173 R180	L127-F176 HydrophobicContact CB-CD1 4.35Å; L127-F176 HydrophobicContact CB-CE1 4.49Å; L127-F176 HydrophobicContact CD2-CE1 4.39Å; P128-F176 HydrophobicContact CB-CD1 4.12Å; P128-F176 HydrophobicContact CG-CD1 4.17Å; P128-F176 HydrophobicContact CG-CE1 4.32Å; P128-F176 WeakPolarHBondContact O-CA 3.41Å; I129-F176 CarbonylContact C-O 3.53Å; I129-F176 VanDerWaalsContact CA-O 3.3Å; I129-F176 WeakPolarHBondContact CA-O 3.5Å; M130-F176 HydrophobicContact CG-CB 3.78Å; M130-F176 PolarHBondContact N-O 3.48Å; M130-F176 HydrophobicContact SD-CB 3.9Å; L156-F176 HydrophobicContact CD2-CD2 4.32Å; L156-F176 HydrophobicContact CD2-CE2 4.49Å; T173-F176 CarbonylContact O-C 3.53Å; T173-F176 WeakPolarHBondContact O-CA 3.19Å; T173-F176 PolarHBondContact O-N 3.04Å; F176-R180 PolarHBondContact O-NH1 3.45Å
177	E	90.1	Very high	86.9	Confident	25 Å²	25	36.6 Å²	36.6	12%	0.117	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-60.9	139.2	-178.6	-82.5	165.8	-149.8	0	0	112.7	M130 W163 T173 S179 R180 R392	M130-E177 CarbonylContact O-C 3.53Å; M130-E177 VanDerWaalsContact O-CA 3.23Å; M130-E177 WeakPolarHBondContact O-CA 3.38Å; W163-E177 HydrophobicContact CH2-CG 3.99Å; W163-E177 HydrophobicContact CZ3-CG 4.39Å; T173-E177 WeakPolarHBondContact O-CG 3.39Å; T173-E177 PolarHBondContact O-N 3.1Å; T173-E177 PolarHBondContact OG1-OE1 3.21Å; E177-S179 PolarHBondContact O-N 2.91Å; E177-S179 PolarHBondContact OE2-OG 3.23Å; E177-R180 WeakPolarHBondContact O-CB 3.46Å; E177-R180 WeakPolarHBondContact O-CG 3.5Å; E177-R180 PolarHBondContact O-N 3.01Å; E177-R180 VanDerWaalsContact O-N 3.11Å; E177-R180 PolarHBondContact O-NH1 3.4Å; E177-R180 VanDerWaalsContact O-NH1 3.11Å; E177-R392 IonicContact OE2-CZ 3.87Å; E177-R392 VanDerWaalsContact OE2-CZ 3.29Å; E177-R392 IonicContact OE2-NE 3.95Å; E177-R392 PolarHBondContact OE2-NE 2.84Å; E177-R392 IonicContact OE2-NH2 3.1Å; E177-R392 PolarHBondContact OE2-NH2 3.07Å
178	V	89.4	Confident	87.1	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.024	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-57.9	-29.8	172.1	67	0	0	0	0	112.1	F15 I129 M130 F132 R180 F181	F15-V178 HydrophobicContact CD1-CG2 3.54Å; F15-V178 HydrophobicContact CE1-CG2 4.07Å; F15-V178 HydrophobicContact CG-CG2 4.48Å; I129-V178 HydrophobicContact CG2-CB 3.77Å; I129-V178 HydrophobicContact CG2-CG2 3.98Å; M130-V178 PolarHBondContact O-N 3.48Å; F132-V178 WeakPolarHBondContact O-CG1 3.41Å; V178-R180 PolarHBondContact O-N 3.19Å; V178-R180 VanDerWaalsContact O-N 3.16Å; V178-F181 PolarHBondContact O-N 3.38Å
179	S	88.1	Confident	87.3	Confident	10 Å²	10	42 Å²	42	7%	0.07	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-71.8	-0.8	178.4	68.1	0	0	0	0	114.3	E177 F181 T391 R392	E177-S179 PolarHBondContact O-N 2.91Å; E177-S179 PolarHBondContact OE2-OG 3.23Å; S179-F181 PolarHBondContact O-N 2.94Å; S179-T391 VanDerWaalsContact O-CB 3.28Å; S179-T391 WeakPolarHBondContact O-CB 3.33Å; S179-R392 PolarHBondContact O-N 3.19Å
180	R	90.9	Very high	87.4	Confident	23 Å²	23	41.9 Å²	41.9	9%	0.087	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-76.6	-7.3	168.7	84.1	-171.5	-178.9	-98.4	11.8	113	D125 L127 P128 K175 F176 E177 V178 M238	D125-R180 IonicContact OD1-CZ 2.67Å; D125-R180 IonicContact OD1-NE 3.41Å; D125-R180 IonicContact OD1-NH2 2.77Å; D125-R180 PolarHBondContact OD1-NH2 2.81Å; D125-R180 IonicContact OD2-CZ 3.62Å; D125-R180 IonicContact OD2-NE 3.62Å; D125-R180 PolarHBondContact OD2-NE 2.79Å; D125-R180 IonicContact OD2-NH2 3.53Å; D125-R180 PolarHBondContact OD2-NH2 3.07Å; L127-R180 PolarHBondContact O-NH2 2.97Å; P128-R180 PolarHBondContact O-NH1 3.11Å; P128-R180 PolarHBondContact O-NH2 3.14Å; K175-R180 WeakPolarHBondContact O-CD 3.37Å; K175-R180 PolarHBondContact O-NE 2.82Å; F176-R180 PolarHBondContact O-NH1 3.45Å; E177-R180 WeakPolarHBondContact O-CB 3.46Å; E177-R180 WeakPolarHBondContact O-CG 3.5Å; E177-R180 PolarHBondContact O-N 3.01Å; E177-R180 VanDerWaalsContact O-N 3.11Å; E177-R180 PolarHBondContact O-NH1 3.4Å; E177-R180 VanDerWaalsContact O-NH1 3.11Å; V178-R180 PolarHBondContact O-N 3.19Å; V178-R180 VanDerWaalsContact O-N 3.16Å; R180-M238 WeakPolarHBondContact O-CE 3.27Å
181	F	91.3	Very high	87.7	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.035	20%	0.202	C	C	.	.	S	Bend	trans	-110.9	150.6	177.8	-62.6	-54.8	0	0	0	111.8	F15 I18 P124 I129 V178 S179 H185 T391	F15-F181 WeakPolarHBondContact CZ-O 3.49Å; I18-F181 HydrophobicContact CD1-CB 3.62Å; I18-F181 HydrophobicContact CD1-CD2 4.03Å; I18-F181 HydrophobicContact CD1-CG 4.14Å; I18-F181 HydrophobicContact CG2-CD2 3.9Å; I18-F181 HydrophobicContact CG2-CE2 4.11Å; P124-F181 HydrophobicContact CB-CE1 3.76Å; P124-F181 HydrophobicContact CB-CZ 4.07Å; P124-F181 HydrophobicContact CG-CD1 4.43Å; P124-F181 HydrophobicContact CG-CE1 3.89Å; P124-F181 HydrophobicContact CG-CZ 3.96Å; I129-F181 HydrophobicContact CD1-CD2 4.47Å; I129-F181 HydrophobicContact CD1-CE2 3.87Å; I129-F181 HydrophobicContact CG1-CE2 3.91Å; V178-F181 PolarHBondContact O-N 3.38Å; S179-F181 PolarHBondContact O-N 2.94Å; F181-H185 WeakPolarHBondContact CA-ND1 3.36Å; F181-H185 HydrophobicContact CB-CB 4.11Å; F181-H185 WeakPolarHBondContact CB-ND1 3.47Å; F181-H185 HydrophobicContact CD1-CB 4.14Å; F181-H185 AromaticContact CD1-CG 3.9Å; F181-H185 AromaticContact CD1-ND1 3.34Å; F181-H185 VanDerWaalsContact CD1-ND1 3.34Å; F181-H185 WeakPolarHBondContact CD1-ND1 3.3Å; F181-H185 HydrophobicContact CG-CB 4.29Å; F181-H185 AromaticContact CG-ND1 3.8Å; F181-T391 VanDerWaalsContact O-CB 3.3Å; F181-T391 WeakPolarHBondContact O-CB 3.35Å; F181-T391 PolarHBondContact O-OG1 2.89Å
182	V	88.8	Confident	87.3	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.024	20%	0.197	C	C	.	.			trans	-99.6	162.9	168.2	-70.2	0	0	0	0	110.3	L184 H185 M238 Q390	V182-L184 HydrophobicContact CG2-CB 4Å; V182-L184 PolarHBondContact O-N 2.97Å; V182-H185 VanDerWaalsContact CG2-CE1 3.5Å; V182-H185 WeakPolarHBondContact CG2-CE1 3.41Å; V182-H185 PolarHBondContact N-ND1 3.17Å; V182-H185 VanDerWaalsContact N-ND1 3.16Å; V182-H185 PolarHBondContact O-N 2.81Å; V182-M238 HydrophobicContact CG1-CB 4.49Å; V182-M238 HydrophobicContact CG1-SD 3.9Å; V182-M238 HydrophobicContact CG2-SD 4.46Å; V182-Q390 HydrophobicContact CG1-CB 4.22Å; V182-Q390 HydrophobicContact CG1-CG 4.35Å
183	P	86.2	Confident	87	Confident	71 Å²	71	41.8 Å²	41.8	46%	0.461	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-52.6	-25.8	-179.8	-30.3	36.6	0	0	0	115.3	H185 C186	P183-H185 VanDerWaalsContact C-N 3.25Å; P183-H185 PolarHBondContact O-N 3.16Å; P183-C186 VanDerWaalsContact O-CB 3.23Å; P183-C186 WeakPolarHBondContact O-CB 3.23Å; P183-C186 PolarHBondContact O-N 2.86Å; P183-C186 VanDerWaalsContact O-N 3.15Å; P183-C186 PolarHBondContact O-SG 3.32Å
184	L	89.3	Confident	86.7	Confident	49 Å²	49	42 Å²	42	26%	0.257	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-55	-39.9	173.5	176.6	69.3	0	0	0	112.4	V182 C186 N187 L218 R219	V182-L184 HydrophobicContact CG2-CB 4Å; V182-L184 PolarHBondContact O-N 2.97Å; L184-C186 PolarHBondContact O-N 2.85Å; L184-N187 WeakPolarHBondContact O-CB 3.45Å; L184-N187 PolarHBondContact O-N 2.85Å; L184-L218 HydrophobicContact CD1-CD1 4.31Å; L184-L218 HydrophobicContact CD2-CB 4.01Å; L184-L218 HydrophobicContact CD2-CD1 4.04Å; L184-L218 HydrophobicContact CG-CD1 4.42Å; L184-R219 HydrophobicContact CD2-CG 4.08Å
185	H	90	Very high	86.2	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.028	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-71.9	-11.1	-176.5	-53.2	137.3	0	0	0	113	P124 F181 V182 P183 Y190 L191	P124-H185 HydrophobicContact CG-CB 4.31Å; F181-H185 WeakPolarHBondContact CA-ND1 3.36Å; F181-H185 HydrophobicContact CB-CB 4.11Å; F181-H185 WeakPolarHBondContact CB-ND1 3.47Å; F181-H185 HydrophobicContact CD1-CB 4.14Å; F181-H185 AromaticContact CD1-CG 3.9Å; F181-H185 AromaticContact CD1-ND1 3.34Å; F181-H185 VanDerWaalsContact CD1-ND1 3.34Å; F181-H185 WeakPolarHBondContact CD1-ND1 3.3Å; F181-H185 HydrophobicContact CG-CB 4.29Å; F181-H185 AromaticContact CG-ND1 3.8Å; V182-H185 VanDerWaalsContact CG2-CE1 3.5Å; V182-H185 WeakPolarHBondContact CG2-CE1 3.41Å; V182-H185 PolarHBondContact N-ND1 3.17Å; V182-H185 VanDerWaalsContact N-ND1 3.16Å; V182-H185 PolarHBondContact O-N 2.81Å; P183-H185 VanDerWaalsContact C-N 3.25Å; P183-H185 PolarHBondContact O-N 3.16Å; H185-Y190 HydrophobicContact CB-CD1 4.37Å; H185-Y190 HydrophobicContact CB-CE1 4.1Å; H185-Y190 AromaticContact CD2-CE1 3.72Å; H185-Y190 AromaticContact CD2-CE2 3.97Å; H185-Y190 AromaticContact CD2-CZ 3.5Å; H185-L191 WeakPolarHBondContact O-CD2 3.29Å; H185-L191 VanDerWaalsContact O-CG 3.31Å; H185-L191 WeakPolarHBondContact O-CG 3.42Å
186	C	82.4	Confident	85.6	Confident	8 Å²	8	36.5 Å²	36.5	5%	0.054	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-78.6	-9.9	170.4	-48.3	0	0	0	0	112.6	G14 K17 I18 P183 L184 K188	G14-C186 WeakPolarHBondContact O-CB 3.42Å; G14-C186 PolarHBondContact O-SG 2.81Å; K17-C186 HydrophobicContact CB-CB 4.21Å; I18-C186 WeakPolarHBondContact CD1-SG 3.41Å; I18-C186 HydrophobicContact CG1-CB 4.07Å; I18-C186 WeakPolarHBondContact CG1-SG 3.39Å; P183-C186 VanDerWaalsContact O-CB 3.23Å; P183-C186 WeakPolarHBondContact O-CB 3.23Å; P183-C186 PolarHBondContact O-N 2.86Å; P183-C186 VanDerWaalsContact O-N 3.15Å; P183-C186 PolarHBondContact O-SG 3.32Å; L184-C186 PolarHBondContact O-N 2.85Å; C186-K188 PolarHBondContact O-N 2.96Å
187	N	85.9	Confident	85	Confident	74 Å²	74	34.7 Å²	34.7	40%	0.396	18%	0.18	S	C	.	.			trans	-66.6	128.1	-176.6	-176	-61.3	0	0	0	109.9	L184 H189 Y190 L191	L184-N187 WeakPolarHBondContact O-CB 3.45Å; L184-N187 PolarHBondContact O-N 2.85Å; N187-H189 VanDerWaalsContact C-N 3.31Å; N187-H189 PolarHBondContact O-N 3.07Å; N187-H189 WeakPolarHBondContact OD1-CA 3.3Å; N187-H189 WeakPolarHBondContact OD1-CB 3.48Å; N187-H189 PolarHBondContact OD1-N 2.81Å; N187-Y190 WeakPolarHBondContact O-CB 3.43Å; N187-Y190 PolarHBondContact O-N 2.71Å; N187-Y190 VanDerWaalsContact O-N 3.14Å; N187-Y190 PolarHBondContact OD1-N 2.79Å; N187-L191 PolarHBondContact O-N 2.95Å
188	K	80	Confident	84.6	Confident	94 Å²	94	33.9 Å²	33.9	41%	0.409	18%	0.177	S	C	.	.	H	α-helix	trans	-59	-40.8	-177.7	-69	-174.3	176	-171.8	0	112.6	L73 C186 L191 C192	L73-K188 HydrophobicContact CB-CD 4.1Å; L73-K188 HydrophobicContact CD1-CB 4.01Å; L73-K188 HydrophobicContact CD1-CD 4.07Å; L73-K188 HydrophobicContact CD1-CG 4.09Å; L73-K188 PolarHBondContact O-NZ 2.8Å; C186-K188 PolarHBondContact O-N 2.96Å; K188-L191 PolarHBondContact O-N 2.78Å; K188-C192 WeakPolarHBondContact O-CB 3.47Å; K188-C192 PolarHBondContact O-N 3.11Å; K188-C192 PolarHBondContact O-SG 2.81Å
189	H	84.1	Confident	83.9	Confident	138 Å²	138	33.7 Å²	33.7	64%	0.639	18%	0.176	S	C	*	.	H	α-helix	trans	-68.3	-38.9	177.8	-64.6	-75.3	0	0	0	111.9	N187 Q193	N187-H189 VanDerWaalsContact C-N 3.31Å; N187-H189 PolarHBondContact O-N 3.07Å; N187-H189 WeakPolarHBondContact OD1-CA 3.3Å; N187-H189 WeakPolarHBondContact OD1-CB 3.48Å; N187-H189 PolarHBondContact OD1-N 2.81Å; H189-Q193 WeakPolarHBondContact O-CG 3.18Å; H189-Q193 PolarHBondContact O-N 2.79Å; H189-Q193 VanDerWaalsContact O-N 3.15Å
190	Y	88.5	Confident	83.1	Confident	11 Å²	11	33.2 Å²	33.2	4%	0.043	17%	0.172	C	C	.	.	H	α-helix	trans	-57.9	-53.6	173.2	175.5	-86.8	0	0	0	110.5	P124 H185 N187 C192 Q193 R194 A215 L218	P124-Y190 HydrophobicContact CB-CE1 3.84Å; P124-Y190 HydrophobicContact CG-CE1 3.95Å; H185-Y190 HydrophobicContact CB-CD1 4.37Å; H185-Y190 HydrophobicContact CB-CE1 4.1Å; H185-Y190 AromaticContact CD2-CE1 3.72Å; H185-Y190 AromaticContact CD2-CE2 3.97Å; H185-Y190 AromaticContact CD2-CZ 3.5Å; N187-Y190 WeakPolarHBondContact O-CB 3.43Å; N187-Y190 PolarHBondContact O-N 2.71Å; N187-Y190 VanDerWaalsContact O-N 3.14Å; N187-Y190 PolarHBondContact OD1-N 2.79Å; Y190-C192 PolarHBondContact O-N 3.08Å; Y190-Q193 PolarHBondContact O-N 3.03Å; Y190-R194 HydrophobicContact CE1-CB 4.16Å; Y190-R194 HydrophobicContact CE1-CG 4.39Å; Y190-R194 WeakPolarHBondContact O-CB 3.27Å; Y190-R194 PolarHBondContact O-N 3.45Å; Y190-A215 HydrophobicContact CD2-CB 3.45Å; Y190-A215 VanDerWaalsContact CD2-CB 3.45Å; Y190-A215 HydrophobicContact CE2-CB 3.55Å; Y190-A215 HydrophobicContact CG-CB 4.2Å; Y190-L218 HydrophobicContact CD2-CD1 3.49Å; Y190-L218 VanDerWaalsContact CD2-CD1 3.49Å; Y190-L218 HydrophobicContact CE2-CD1 3.96Å
191	L	83.8	Confident	82.3	Confident	7 Å²	7	32.4 Å²	32.4	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-47.3	-179.2	-72.2	167.2	0	0	0	111.5	V22 P124 H185 N187 K188 Q193 R194 A195	V22-L191 HydrophobicContact CG2-CB 3.81Å; P124-L191 HydrophobicContact CG-CD2 3.74Å; H185-L191 WeakPolarHBondContact O-CD2 3.29Å; H185-L191 VanDerWaalsContact O-CG 3.31Å; H185-L191 WeakPolarHBondContact O-CG 3.42Å; N187-L191 PolarHBondContact O-N 2.95Å; K188-L191 PolarHBondContact O-N 2.78Å; L191-Q193 VanDerWaalsContact C-N 3.25Å; L191-Q193 PolarHBondContact O-N 3.5Å; L191-R194 PolarHBondContact O-N 3.21Å; L191-A195 WeakPolarHBondContact O-CB 3.5Å; L191-A195 PolarHBondContact O-N 3.1Å
192	C	76.8	Confident	81	Confident	41 Å²	41	34.7 Å²	34.7	28%	0.277	20%	0.196	S	C	.	.	H	α-helix	trans	-59.5	-34.7	179.5	-73.9	0	0	0	0	113.4	K188 Y190	K188-C192 WeakPolarHBondContact O-CB 3.47Å; K188-C192 PolarHBondContact O-N 3.11Å; K188-C192 PolarHBondContact O-SG 2.81Å; Y190-C192 PolarHBondContact O-N 3.08Å
193	Q	80.5	Confident	79.5	Confident	106 Å²	106	35 Å²	35	50%	0.495	20%	0.198	S	C	.	.	H	α-helix	trans	-78	-49.9	177.2	-69.4	178.2	9.5	0	0	111.4	H189 Y190 L191 T214 A215	H189-Q193 WeakPolarHBondContact O-CG 3.18Å; H189-Q193 PolarHBondContact O-N 2.79Å; H189-Q193 VanDerWaalsContact O-N 3.15Å; Y190-Q193 PolarHBondContact O-N 3.03Å; L191-Q193 VanDerWaalsContact C-N 3.25Å; L191-Q193 PolarHBondContact O-N 3.5Å; Q193-T214 PolarHBondContact O-OG1 3.23Å; Q193-A215 HydrophobicContact CB-CB 4.26Å
194	R	85.5	Confident	78.4	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.015	19%	0.188	C	C	.	.	H	α-helix	trans	-72.6	-44.1	-173	-176.1	61.1	67.6	93.1	3.1	113.2	P124 Y190 L191 A196 E197 V198 W212 T214 A215 E236	P124-R194 HydrophobicContact CB-CG 4.43Å; P124-R194 WeakPolarHBondContact O-CG 3.31Å; Y190-R194 HydrophobicContact CE1-CB 4.16Å; Y190-R194 HydrophobicContact CE1-CG 4.39Å; Y190-R194 WeakPolarHBondContact O-CB 3.27Å; Y190-R194 PolarHBondContact O-N 3.45Å; L191-R194 PolarHBondContact O-N 3.21Å; R194-A196 VanDerWaalsContact C-N 3.25Å; R194-A196 PolarHBondContact O-N 2.97Å; R194-E197 PolarHBondContact O-N 3.15Å; R194-E197 VanDerWaalsContact O-N 3.11Å; R194-V198 HydrophobicContact CG-CG2 4.09Å; R194-V198 WeakPolarHBondContact O-CG2 3.38Å; R194-V198 PolarHBondContact O-N 3.47Å; R194-W212 VanDerWaalsContact NH1-CG 3.27Å; R194-T214 WeakPolarHBondContact CA-OG1 3.27Å; R194-T214 PolarHBondContact NE-O 2.98Å; R194-T214 PolarHBondContact NH2-O 2.9Å; R194-A215 HydrophobicContact CB-CB 4.26Å; R194-E236 IonicContact CZ-OE2 3.76Å; R194-E236 IonicContact NH1-OE2 2.9Å; R194-E236 PolarHBondContact NH1-OE2 2.81Å; R194-E236 IonicContact NH2-OE2 3.4Å; R194-E236 PolarHBondContact NH2-OE2 2.85Å
195	A	79.1	Confident	77.3	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-35.8	-177.2	0	0	0	0	0	112.3	V22 L191 V198 A199	V22-A195 HydrophobicContact CB-CB 3.77Å; V22-A195 HydrophobicContact CG2-CB 4.16Å; L191-A195 WeakPolarHBondContact O-CB 3.5Å; L191-A195 PolarHBondContact O-N 3.1Å; A195-V198 PolarHBondContact O-N 3.37Å; A195-A199 WeakPolarHBondContact O-CB 3.43Å; A195-A199 PolarHBondContact O-N 2.87Å
196	A	75.1	Confident	76.3	Confident	26 Å²	26	40.9 Å²	40.9	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-40.8	176.4	0	0	0	0	0	112.3	L65 R194 G200	L65-A196 HydrophobicContact CB-CB 4.45Å; R194-A196 VanDerWaalsContact C-N 3.25Å; R194-A196 PolarHBondContact O-N 2.97Å; A196-G200 PolarHBondContact O-N 2.98Å; A196-G200 VanDerWaalsContact O-N 3.08Å
197	E	79.2	Confident	75.7	Confident	19 Å²	19	41 Å²	41	9%	0.089	22%	0.219	C	C	.	.	H	α-helix	trans	-67.1	-44.8	175.6	-171.2	-176.3	-174.4	0	0	111.5	R194 G200 S201 Y210 W212 S213 T214	R194-E197 PolarHBondContact O-N 3.15Å; R194-E197 VanDerWaalsContact O-N 3.11Å; E197-G200 PolarHBondContact O-N 2.94Å; E197-S201 WeakPolarHBondContact O-CB 3.28Å; E197-S201 PolarHBondContact O-N 3.26Å; E197-S201 VanDerWaalsContact O-N 3.14Å; E197-S201 PolarHBondContact O-OG 3.01Å; E197-Y210 PolarHBondContact OE1-OH 3.37Å; E197-W212 HydrophobicContact CB-CE3 4.4Å; E197-W212 HydrophobicContact CG-CE3 3.76Å; E197-W212 HydrophobicContact CG-CZ3 4.06Å; E197-S213 VanDerWaalsContact CD-OG 3.25Å; E197-S213 WeakPolarHBondContact OE1-CB 3.44Å; E197-S213 PolarHBondContact OE1-N 2.9Å; E197-S213 PolarHBondContact OE1-OG 3.43Å; E197-S213 PolarHBondContact OE2-N 3.44Å; E197-S213 VanDerWaalsContact OE2-N 3.17Å; E197-T214 HydrophobicContact CB-CG2 3.93Å; E197-T214 HydrophobicContact CG-CG2 4.31Å; E197-T214 VanDerWaalsContact OE2-CB 3.25Å; E197-T214 WeakPolarHBondContact OE2-CB 3.42Å; E197-T214 WeakPolarHBondContact OE2-CG2 3.39Å; E197-T214 PolarHBondContact OE2-N 2.65Å; E197-T214 PolarHBondContact OE2-OG1 2.75Å
198	V	81	Confident	75.1	Confident	8 Å²	8	41.2 Å²	41.2	5%	0.048	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-51.1	178.7	171.2	0	0	0	0	110.8	Y122 P124 G126 R194 A195 G200 S201 G202 W212	Y122-V198 HydrophobicContact CD1-CG1 4.24Å; P124-V198 WeakPolarHBondContact O-CG2 3.26Å; G126-V198 VanDerWaalsContact CA-CG1 3.46Å; R194-V198 HydrophobicContact CG-CG2 4.09Å; R194-V198 WeakPolarHBondContact O-CG2 3.38Å; R194-V198 PolarHBondContact O-N 3.47Å; A195-V198 PolarHBondContact O-N 3.37Å; V198-G200 VanDerWaalsContact C-N 3.3Å; V198-G200 PolarHBondContact O-N 3.08Å; V198-S201 CarbonylContact O-C 3.52Å; V198-S201 WeakPolarHBondContact O-CA 3.37Å; V198-S201 WeakPolarHBondContact O-CB 3.17Å; V198-S201 PolarHBondContact O-N 3.22Å; V198-G202 PolarHBondContact O-N 3.38Å; V198-W212 HydrophobicContact CB-CH2 4.2Å; V198-W212 HydrophobicContact CB-CZ3 4.34Å; V198-W212 HydrophobicContact CG1-CH2 4.47Å; V198-W212 HydrophobicContact CG2-CD2 4.43Å; V198-W212 HydrophobicContact CG2-CE3 4.17Å; V198-W212 HydrophobicContact CG2-CH2 3.73Å; V198-W212 HydrophobicContact CG2-CZ2 3.97Å; V198-W212 HydrophobicContact CG2-CZ3 3.84Å
199	A	75.4	Confident	75.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.3	-37.4	-179.8	0	0	0	0	0	112.1	C24 L65 Y122 A195 S201 G202	C24-A199 HydrophobicContact CB-CB 4.08Å; L65-A199 HydrophobicContact CD1-CB 3.21Å; Y122-A199 HydrophobicContact CD1-CB 3.58Å; Y122-A199 HydrophobicContact CD2-CB 3.78Å; Y122-A199 HydrophobicContact CE1-CB 3.52Å; Y122-A199 HydrophobicContact CE2-CB 3.74Å; Y122-A199 HydrophobicContact CG-CB 3.71Å; A195-A199 WeakPolarHBondContact O-CB 3.43Å; A195-A199 PolarHBondContact O-N 2.87Å; A199-S201 PolarHBondContact O-N 3.13Å; A199-G202 PolarHBondContact O-N 3.24Å
200	G	72.4	Confident	75	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-16.3	173.4	0	0	0	0	0	114.3	A196 E197 V198	A196-G200 PolarHBondContact O-N 2.98Å; A196-G200 VanDerWaalsContact O-N 3.08Å; E197-G200 PolarHBondContact O-N 2.94Å; V198-G200 VanDerWaalsContact C-N 3.3Å; V198-G200 PolarHBondContact O-N 3.08Å
201	S	73.1	Confident	74.9	Confident	5 Å²	5	35.9 Å²	35.9	4%	0.035	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-0.5	-178.5	-54.8	0	0	0	0	113.5	E197 V198 A199 S203 N204	E197-S201 WeakPolarHBondContact O-CB 3.28Å; E197-S201 PolarHBondContact O-N 3.26Å; E197-S201 VanDerWaalsContact O-N 3.14Å; E197-S201 PolarHBondContact O-OG 3.01Å; V198-S201 CarbonylContact O-C 3.52Å; V198-S201 WeakPolarHBondContact O-CA 3.37Å; V198-S201 WeakPolarHBondContact O-CB 3.17Å; V198-S201 PolarHBondContact O-N 3.22Å; A199-S201 PolarHBondContact O-N 3.13Å; S201-S203 VanDerWaalsContact C-N 3.27Å; S201-S203 PolarHBondContact O-N 3.16Å; S201-S203 VanDerWaalsContact O-N 3.09Å; S201-N204 PolarHBondContact O-N 3.13Å
202	G	64.1	Low	75	Confident	56 Å²	56	37.5 Å²	37.5	58%	0.577	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-32.6	-166	0	0	0	0	0	116.1	V198 A199	V198-G202 PolarHBondContact O-N 3.38Å; A199-G202 PolarHBondContact O-N 3.24Å
203	S	58	Low	75.4	Confident	11 Å²	11	38.5 Å²	38.5	8%	0.077	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-6.6	175.8	-45.8	0	0	0	0	114.5	H40 I42 N45 F60 S201	H40-S203 PolarHBondContact CE1-OG 3.05Å; H40-S203 VanDerWaalsContact CE1-OG 3.3Å; H40-S203 WeakPolarHBondContact NE2-CB 3.3Å; H40-S203 PolarHBondContact NE2-OG 3.37Å; I42-S203 VanDerWaalsContact CG2-O 3.24Å; I42-S203 WeakPolarHBondContact CG2-O 3.39Å; N45-S203 WeakPolarHBondContact OD1-CB 3.36Å; N45-S203 PolarHBondContact OD1-OG 2.92Å; F60-S203 WeakPolarHBondContact CD2-OG 3.43Å; S201-S203 VanDerWaalsContact C-N 3.27Å; S201-S203 PolarHBondContact O-N 3.16Å; S201-S203 VanDerWaalsContact O-N 3.09Å
204	N	63	Low	75.7	Confident	48 Å²	48	35.3 Å²	35.3	26%	0.257	20%	0.203	S	C	.	.	S	Bend	trans	-74.3	136.1	-176.2	-66.1	-18.4	0	0	0	109.2	S201 L206	S201-N204 PolarHBondContact O-N 3.13Å; N204-L206 VanDerWaalsContact C-N 3.31Å; N204-L206 HydrophobicContact CB-CD2 4.32Å; N204-L206 PolarHBondContact O-N 2.87Å
205	F	65.1	Low	75.9	Confident	146 Å²	146	35.4 Å²	35.4	64%	0.64	21%	0.205	S	C	*	.			trans	-66.5	96.4	161.5	-88.1	-69.5	0	0	0	108.6	I42	I42-F205 HydrophobicContact CB-CD2 4.49Å; I42-F205 HydrophobicContact CD1-CD2 4.01Å; I42-F205 HydrophobicContact CD1-CE2 3.32Å; I42-F205 HydrophobicContact CD1-CZ 4.02Å; I42-F205 HydrophobicContact CG1-CE2 4.44Å; I42-F205 HydrophobicContact CG2-CD2 3.52Å; I42-F205 HydrophobicContact CG2-CE2 4.01Å; I42-F205 HydrophobicContact CG2-CG 4.45Å
206	L	68.6	Low	76.5	Confident	56 Å²	56	37.8 Å²	37.8	29%	0.293	21%	0.213	S	C	.	.			trans	-75.5	131.4	173.8	-63.7	175.3	0	0	0	109.2	N204 Y210 W212	N204-L206 VanDerWaalsContact C-N 3.31Å; N204-L206 HydrophobicContact CB-CD2 4.32Å; N204-L206 PolarHBondContact O-N 2.87Å; L206-Y210 HydrophobicContact CB-CG 4.36Å; L206-Y210 HydrophobicContact CD1-CD1 4.41Å; L206-Y210 HydrophobicContact CD2-CD1 4.19Å; L206-Y210 HydrophobicContact CD2-CD2 3.79Å; L206-Y210 HydrophobicContact CD2-CE1 4.28Å; L206-Y210 HydrophobicContact CD2-CE2 3.87Å; L206-Y210 HydrophobicContact CD2-CG 3.97Å; L206-W212 HydrophobicContact CD1-CH2 3.76Å; L206-W212 HydrophobicContact CD1-CZ2 4.19Å; L206-W212 HydrophobicContact CD1-CZ3 4.49Å
207	D	71	Confident	77.3	Confident	10 Å²	10	40.5 Å²	40.5	5%	0.053	22%	0.224	C	C	.	.			trans	-50.2	133.4	165.7	-178.9	-12.7	0	0	0	109	L209 Y210 G275 P279	D207-L209 PolarHBondContact O-N 3.09Å; D207-L209 WeakPolarHBondContact OD1-CB 3.39Å; D207-L209 PolarHBondContact OD1-N 3.33Å; D207-Y210 WeakPolarHBondContact O-CA 3.38Å; D207-Y210 WeakPolarHBondContact O-CB 3.43Å; D207-Y210 PolarHBondContact O-N 2.93Å; D207-G275 VanDerWaalsContact CB-O 3.32Å; D207-G275 WeakPolarHBondContact CB-O 3.49Å; D207-G275 PolarHBondContact N-O 3.41Å; D207-P279 VanDerWaalsContact CG-CD 3.45Å; D207-P279 WeakPolarHBondContact OD2-CD 3.41Å
208	P	73.4	Confident	77.9	Confident	78 Å²	78	43.5 Å²	43.5	51%	0.506	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.9	172.8	-27.8	36.2	0	0	0	113.8	Y278	P208-Y278 HydrophobicContact CG-CE2 3.88Å; P208-Y278 WeakPolarHBondContact CG-OH 3.29Å
209	L	79.1	Confident	78.6	Confident	50 Å²	50	44.8 Å²	44.8	26%	0.262	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.1	172.6	-56.3	-178.4	0	0	0	113.8	D207 Q211 W285 Y503	D207-L209 PolarHBondContact O-N 3.09Å; D207-L209 WeakPolarHBondContact OD1-CB 3.39Å; D207-L209 PolarHBondContact OD1-N 3.33Å; L209-Q211 PolarHBondContact O-N 2.73Å; L209-Q211 PolarHBondContact O-NE2 3.38Å; L209-W285 HydrophobicContact CD1-CZ2 4Å; L209-Y503 HydrophobicContact CD2-CE1 4.46Å
210	Y	82.9	Confident	79.6	Confident	27 Å²	27	47.6 Å²	47.6	11%	0.106	26%	0.262	C	S	.	.			trans	-51.9	131.9	-177.3	-176.8	-90.5	0	0	0	111.4	E197 L206 D207 W212	E197-Y210 PolarHBondContact OE1-OH 3.37Å; L206-Y210 HydrophobicContact CB-CG 4.36Å; L206-Y210 HydrophobicContact CD1-CD1 4.41Å; L206-Y210 HydrophobicContact CD2-CD1 4.19Å; L206-Y210 HydrophobicContact CD2-CD2 3.79Å; L206-Y210 HydrophobicContact CD2-CE1 4.28Å; L206-Y210 HydrophobicContact CD2-CE2 3.87Å; L206-Y210 HydrophobicContact CD2-CG 3.97Å; D207-Y210 WeakPolarHBondContact O-CA 3.38Å; D207-Y210 WeakPolarHBondContact O-CB 3.43Å; D207-Y210 PolarHBondContact O-N 2.93Å; Y210-W212 HydrophobicContact CD1-CD2 4.29Å; Y210-W212 HydrophobicContact CD1-CE3 4.4Å; Y210-W212 AromaticContact CE1-CD2 3.78Å; Y210-W212 HydrophobicContact CE1-CD2 3.78Å; Y210-W212 AromaticContact CE1-CE3 3.54Å; Y210-W212 HydrophobicContact CE1-CE3 3.54Å; Y210-W212 HydrophobicContact CE1-CG 4.26Å; Y210-W212 HydrophobicContact CE1-CH2 4.44Å; Y210-W212 AromaticContact CE1-CZ3 3.88Å; Y210-W212 HydrophobicContact CE1-CZ3 3.88Å
211	Q	86.4	Confident	80.7	Confident	55 Å²	55	48 Å²	48	26%	0.257	27%	0.265	S	S	.	.			trans	-113.9	124.1	175.5	-61.4	-56.1	-56.4	0	0	109	L209 L244	L209-Q211 PolarHBondContact O-N 2.73Å; L209-Q211 PolarHBondContact O-NE2 3.38Å; Q211-L244 HydrophobicContact CG-CD1 4.1Å
212	W	85.2	Confident	81.8	Confident	41 Å²	41	50.5 Å²	50.5	16%	0.155	28%	0.281	C	S	.	.			trans	-59.2	139.4	174	-59.1	103.3	0	0	0	111	R194 E197 V198 L206 Y210 R216	R194-W212 VanDerWaalsContact NH1-CG 3.27Å; E197-W212 HydrophobicContact CB-CE3 4.4Å; E197-W212 HydrophobicContact CG-CE3 3.76Å; E197-W212 HydrophobicContact CG-CZ3 4.06Å; V198-W212 HydrophobicContact CB-CH2 4.2Å; V198-W212 HydrophobicContact CB-CZ3 4.34Å; V198-W212 HydrophobicContact CG1-CH2 4.47Å; V198-W212 HydrophobicContact CG2-CD2 4.43Å; V198-W212 HydrophobicContact CG2-CE3 4.17Å; V198-W212 HydrophobicContact CG2-CH2 3.73Å; V198-W212 HydrophobicContact CG2-CZ2 3.97Å; V198-W212 HydrophobicContact CG2-CZ3 3.84Å; L206-W212 HydrophobicContact CD1-CH2 3.76Å; L206-W212 HydrophobicContact CD1-CZ2 4.19Å; L206-W212 HydrophobicContact CD1-CZ3 4.49Å; Y210-W212 HydrophobicContact CD1-CD2 4.29Å; Y210-W212 HydrophobicContact CD1-CE3 4.4Å; Y210-W212 AromaticContact CE1-CD2 3.78Å; Y210-W212 HydrophobicContact CE1-CD2 3.78Å; Y210-W212 AromaticContact CE1-CE3 3.54Å; Y210-W212 HydrophobicContact CE1-CE3 3.54Å; Y210-W212 HydrophobicContact CE1-CG 4.26Å; Y210-W212 HydrophobicContact CE1-CH2 4.44Å; Y210-W212 AromaticContact CE1-CZ3 3.88Å; Y210-W212 HydrophobicContact CE1-CZ3 3.88Å; W212-R216 WeakPolarHBondContact O-CD 3.38Å; W212-R216 PolarHBondContact O-NH1 2.77Å
213	S	84.4	Confident	83.4	Confident	61 Å²	61	47.8 Å²	47.8	43%	0.427	25%	0.253	S	S	.	.			trans	-93.1	-22.4	-175.9	63.8	0	0	0	0	112.9	E197	E197-S213 VanDerWaalsContact CD-OG 3.25Å; E197-S213 WeakPolarHBondContact OE1-CB 3.44Å; E197-S213 PolarHBondContact OE1-N 2.9Å; E197-S213 PolarHBondContact OE1-OG 3.43Å; E197-S213 PolarHBondContact OE2-N 3.44Å; E197-S213 VanDerWaalsContact OE2-N 3.17Å
214	T	87.1	Confident	85.3	Confident	39 Å²	39	48.6 Å²	48.6	24%	0.239	26%	0.255	C	S	.	.	S	Bend	trans	-95.5	157.7	-179.3	65	0	0	0	0	112.8	Q193 R194 E197 R216	Q193-T214 PolarHBondContact O-OG1 3.23Å; R194-T214 WeakPolarHBondContact CA-OG1 3.27Å; R194-T214 PolarHBondContact NE-O 2.98Å; R194-T214 PolarHBondContact NH2-O 2.9Å; E197-T214 HydrophobicContact CB-CG2 3.93Å; E197-T214 HydrophobicContact CG-CG2 4.31Å; E197-T214 VanDerWaalsContact OE2-CB 3.25Å; E197-T214 WeakPolarHBondContact OE2-CB 3.42Å; E197-T214 WeakPolarHBondContact OE2-CG2 3.39Å; E197-T214 PolarHBondContact OE2-N 2.65Å; E197-T214 PolarHBondContact OE2-OG1 2.75Å; T214-R216 PolarHBondContact O-N 2.62Å
215	A	89.3	Confident	86.9	Confident	6 Å²	6	51.2 Å²	51.2	5%	0.05	27%	0.268	C	S	.	.	S	Bend	trans	53.8	49.8	179	0	0	0	0	0	113.5	Y190 Q193 R194 L218	Y190-A215 HydrophobicContact CD2-CB 3.45Å; Y190-A215 VanDerWaalsContact CD2-CB 3.45Å; Y190-A215 HydrophobicContact CE2-CB 3.55Å; Y190-A215 HydrophobicContact CG-CB 4.2Å; Q193-A215 HydrophobicContact CB-CB 4.26Å; R194-A215 HydrophobicContact CB-CB 4.26Å; A215-L218 HydrophobicContact CB-CD1 4.41Å; A215-L218 WeakPolarHBondContact O-CD1 3.31Å
216	R	91.8	Very high	88.4	Confident	51 Å²	51	46.4 Å²	46.4	19%	0.192	25%	0.247	C	C	.	.			trans	-105.9	166.4	-177.1	-67.6	-66.5	-65.3	-90.2	1.6	112.5	W212 T214 L218 F234 E241	W212-R216 WeakPolarHBondContact O-CD 3.38Å; W212-R216 PolarHBondContact O-NH1 2.77Å; T214-R216 PolarHBondContact O-N 2.62Å; R216-L218 VanDerWaalsContact C-N 3.35Å; R216-L218 PolarHBondContact O-N 2.83Å; R216-F234 PolarHBondContact NH2-O 3.01Å; R216-E241 IonicContact CZ-OE1 3.2Å; R216-E241 IonicContact CZ-OE2 3.87Å; R216-E241 IonicContact NE-OE1 2.76Å; R216-E241 PolarHBondContact NE-OE1 3.04Å; R216-E241 IonicContact NE-OE2 3.77Å; R216-E241 PolarHBondContact NE-OE2 3.28Å; R216-E241 IonicContact NH2-OE1 2.85Å; R216-E241 IonicContact NH2-OE2 3.79Å; R216-E241 PolarHBondContact NH2-OE2 2.94Å
217	N	92.4	Very high	89.7	Confident	84 Å²	84	43.8 Å²	43.8	45%	0.449	23%	0.234	S	C	.	.	S	Bend	trans	60.8	38.8	177.4	-46.5	-60.7	0	0	0	113.4	Y224 E241	N217-Y224 PolarHBondContact OD1-OH 2.94Å; N217-E241 HydrophobicContact CB-CG 4.49Å; N217-E241 PolarHBondContact N-OE1 3.41Å
218	L	92.9	Very high	90.8	Very high	81 Å²	81	48.9 Å²	48.9	42%	0.424	26%	0.255	S	S	.	.	S	Bend	trans	-93.8	-44.8	-175.1	-59.7	177	0	0	0	112.6	L184 Y190 A215 R216	L184-L218 HydrophobicContact CD1-CD1 4.31Å; L184-L218 HydrophobicContact CD2-CB 4.01Å; L184-L218 HydrophobicContact CD2-CD1 4.04Å; L184-L218 HydrophobicContact CG-CD1 4.42Å; Y190-L218 HydrophobicContact CD2-CD1 3.49Å; Y190-L218 VanDerWaalsContact CD2-CD1 3.49Å; Y190-L218 HydrophobicContact CE2-CD1 3.96Å; A215-L218 HydrophobicContact CB-CD1 4.41Å; A215-L218 WeakPolarHBondContact O-CD1 3.31Å; R216-L218 VanDerWaalsContact C-N 3.35Å; R216-L218 PolarHBondContact O-N 2.83Å
219	R	94.9	Very high	91.7	Very high	35 Å²	35	52.6 Å²	52.6	13%	0.132	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-115.2	123.3	169.7	-54.4	167.8	71.3	-177.4	7	107.1	L184 M238 G239 F240 E241	L184-R219 HydrophobicContact CD2-CG 4.08Å; R219-M238 VanDerWaalsContact CD-O 3.28Å; R219-M238 WeakPolarHBondContact CD-O 3.14Å; R219-M238 PolarHBondContact NH1-O 3.35Å; R219-G239 WeakPolarHBondContact CB-O 3.45Å; R219-G239 PolarHBondContact N-O 2.9Å; R219-F240 HydrophobicContact CB-CB 4.45Å; R219-F240 HydrophobicContact CB-CD1 3.53Å; R219-F240 HydrophobicContact CB-CD2 4.25Å; R219-F240 HydrophobicContact CB-CE1 3.77Å; R219-F240 HydrophobicContact CB-CG 3.79Å; R219-F240 HydrophobicContact CB-CZ 4.27Å; R219-F240 VanDerWaalsContact NE-CE2 3.31Å; R219-F240 CarbonylContact O-C 3.54Å; R219-F240 VanDerWaalsContact O-CA 3.25Å; R219-F240 WeakPolarHBondContact O-CA 3.39Å; R219-E241 PolarHBondContact O-N 2.85Å
220	T	95.8	Very high	92.5	Very high	60 Å²	60	52.3 Å²	52.3	37%	0.368	27%	0.271	S	S	.	.			trans	-132.4	146.3	179.5	50.1	0	0	0	0	108.3	Y224 E241	T220-Y224 HydrophobicContact CG2-CD1 4.07Å; T220-Y224 HydrophobicContact CG2-CD2 3.63Å; T220-Y224 HydrophobicContact CG2-CE2 4.12Å; T220-Y224 HydrophobicContact CG2-CG 3.6Å; T220-E241 HydrophobicContact CG2-CB 4.19Å; T220-E241 HydrophobicContact CG2-CG 3.92Å
221	S	95.8	Very high	92.9	Very high	8 Å²	8	51.9 Å²	51.9	6%	0.056	28%	0.275	C	S	.	.			trans	-68.3	156.6	164.1	72	0	0	0	0	108.9	L223 Y224 D304	S221-L223 PolarHBondContact O-N 3.4Å; S221-L223 PolarHBondContact OG-N 2.98Å; S221-Y224 WeakPolarHBondContact O-CB 3.48Å; S221-Y224 PolarHBondContact O-N 3.4Å; S221-D304 WeakPolarHBondContact CB-OD2 3.5Å; S221-D304 PolarHBondContact OG-OD2 2.98Å
222	P	97.3	Very high	93.4	Very high	57 Å²	57	49.9 Å²	49.9	37%	0.37	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-17.7	168.2	-27.5	35	0	0	0	114.6	Q226 T417 N478 A481	P222-Q226 PolarHBondContact O-OE1 2.77Å; P222-T417 WeakPolarHBondContact CD-OG1 3.38Å; P222-T417 WeakPolarHBondContact CG-OG1 3.28Å; P222-N478 HydrophobicContact CG-CB 3.96Å; P222-A481 HydrophobicContact CB-CB 3.81Å; P222-A481 HydrophobicContact CG-CB 3.96Å
223	L	97.6	Very high	93.8	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	1	-177.8	-56.7	179	0	0	0	114	S221 L225 Q226 F227 T417 L419 L482 F485	S221-L223 PolarHBondContact O-N 3.4Å; S221-L223 PolarHBondContact OG-N 2.98Å; L223-L225 VanDerWaalsContact C-N 3.27Å; L223-L225 PolarHBondContact O-N 3.41Å; L223-Q226 VanDerWaalsContact CA-OE1 3.31Å; L223-Q226 PolarHBondContact O-N 3.42Å; L223-Q226 VanDerWaalsContact O-N 3.13Å; L223-Q226 PolarHBondContact O-OE1 3.18Å; L223-F227 HydrophobicContact CB-CD2 3.97Å; L223-F227 HydrophobicContact CB-CE2 4.04Å; L223-F227 HydrophobicContact CD1-CE2 4.29Å; L223-F227 WeakPolarHBondContact O-CD2 3.44Å; L223-F227 PolarHBondContact O-N 3.05Å; L223-T417 HydrophobicContact CD1-CG2 3.87Å; L223-T417 HydrophobicContact CG-CG2 4.25Å; L223-L419 HydrophobicContact CD1-CD1 4Å; L223-L419 HydrophobicContact CD1-CD2 3.76Å; L223-L419 HydrophobicContact CD1-CG 4.24Å; L223-L482 HydrophobicContact CD2-CD1 4.36Å; L223-F485 HydrophobicContact CD1-CB 3.85Å; L223-F485 HydrophobicContact CD1-CD2 3.89Å; L223-F485 HydrophobicContact CD1-CG 3.93Å; L223-F485 HydrophobicContact CD2-CB 3.49Å; L223-F485 VanDerWaalsContact CD2-CB 3.49Å; L223-F485 HydrophobicContact CD2-CD1 3.97Å; L223-F485 HydrophobicContact CD2-CD2 4.48Å; L223-F485 HydrophobicContact CD2-CG 3.72Å; L223-F485 HydrophobicContact CG-CB 4.33Å; L223-F485 HydrophobicContact CG-CG 4.41Å
224	Y	96.8	Very high	94.3	Very high	28 Å²	28	47.5 Å²	47.5	11%	0.11	25%	0.253	C	S	.	.	H	α-helix	trans	-53.8	-42.2	-175.8	167.7	-94.2	0	0	0	113.1	N217 T220 S221 F227 K228 F234 E241	N217-Y224 PolarHBondContact OD1-OH 2.94Å; T220-Y224 HydrophobicContact CG2-CD1 4.07Å; T220-Y224 HydrophobicContact CG2-CD2 3.63Å; T220-Y224 HydrophobicContact CG2-CE2 4.12Å; T220-Y224 HydrophobicContact CG2-CG 3.6Å; S221-Y224 WeakPolarHBondContact O-CB 3.48Å; S221-Y224 PolarHBondContact O-N 3.4Å; Y224-F227 PolarHBondContact O-N 3.5Å; Y224-K228 HydrophobicContact CE1-CD 4.08Å; Y224-K228 VanDerWaalsContact O-CB 3.25Å; Y224-K228 WeakPolarHBondContact O-CB 3.38Å; Y224-K228 PolarHBondContact O-N 3.34Å; Y224-F234 HydrophobicContact CD2-CD1 4.32Å; Y224-F234 AromaticContact CD2-CE1 3.74Å; Y224-F234 HydrophobicContact CD2-CE1 3.74Å; Y224-F234 HydrophobicContact CD2-CE2 4.12Å; Y224-F234 AromaticContact CD2-CZ 3.62Å; Y224-F234 HydrophobicContact CD2-CZ 3.62Å; Y224-F234 HydrophobicContact CE2-CD1 4.27Å; Y224-F234 HydrophobicContact CE2-CD2 4.04Å; Y224-F234 HydrophobicContact CE2-CE1 4.04Å; Y224-F234 AromaticContact CE2-CE2 3.78Å; Y224-F234 HydrophobicContact CE2-CE2 3.78Å; Y224-F234 HydrophobicContact CE2-CG 4.27Å; Y224-F234 AromaticContact CE2-CZ 3.78Å; Y224-F234 HydrophobicContact CE2-CZ 3.78Å; Y224-F234 HydrophobicContact CG-CZ 4.49Å; Y224-E241 HydrophobicContact CD2-CB 3.81Å; Y224-E241 HydrophobicContact CD2-CG 4.17Å; Y224-E241 HydrophobicContact CE2-CB 3.82Å; Y224-E241 HydrophobicContact CE2-CG 3.78Å
225	L	96.4	Very high	94.6	Very high	102 Å²	102	45.8 Å²	45.8	53%	0.534	24%	0.242	S	C	.	.	H	α-helix	trans	-67.7	-42.7	179.9	-67.5	178.2	0	0	0	111.8	L223 F227 K228 E229	L223-L225 VanDerWaalsContact C-N 3.27Å; L223-L225 PolarHBondContact O-N 3.41Å; L225-F227 VanDerWaalsContact C-N 3.32Å; L225-F227 PolarHBondContact O-N 3.16Å; L225-K228 WeakPolarHBondContact O-CB 3.37Å; L225-K228 PolarHBondContact O-N 3.37Å; L225-E229 WeakPolarHBondContact O-CB 3.27Å; L225-E229 WeakPolarHBondContact O-CG 3.27Å; L225-E229 PolarHBondContact O-N 2.91Å
226	Q	96.6	Very high	94.7	Very high	45 Å²	45	47.2 Å²	47.2	21%	0.21	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-41.6	177.9	-68.2	71.5	17.7	0	0	110.9	P222 L223 E229 A230 L482 F485	P222-Q226 PolarHBondContact O-OE1 2.77Å; L223-Q226 VanDerWaalsContact CA-OE1 3.31Å; L223-Q226 PolarHBondContact O-N 3.42Å; L223-Q226 VanDerWaalsContact O-N 3.13Å; L223-Q226 PolarHBondContact O-OE1 3.18Å; Q226-E229 PolarHBondContact O-N 3.18Å; Q226-A230 WeakPolarHBondContact O-CB 3.17Å; Q226-A230 PolarHBondContact O-N 3.18Å; Q226-L482 HydrophobicContact CG-CD1 4.02Å; Q226-F485 HydrophobicContact CB-CD1 4.28Å; Q226-F485 HydrophobicContact CB-CE1 3.67Å; Q226-F485 HydrophobicContact CB-CZ 4.34Å; Q226-F485 HydrophobicContact CG-CD1 4.25Å; Q226-F485 HydrophobicContact CG-CE1 4.02Å
227	F	96	Very high	94.6	Very high	2 Å²	2	46 Å²	46	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-66.6	-42.1	176.5	-84.7	-130.2	0	0	0	110.9	L223 Y224 L225 A230 G231 A232 F234 A243 F246 D304 F485 L499	L223-F227 HydrophobicContact CB-CD2 3.97Å; L223-F227 HydrophobicContact CB-CE2 4.04Å; L223-F227 HydrophobicContact CD1-CE2 4.29Å; L223-F227 WeakPolarHBondContact O-CD2 3.44Å; L223-F227 PolarHBondContact O-N 3.05Å; Y224-F227 PolarHBondContact O-N 3.5Å; L225-F227 VanDerWaalsContact C-N 3.32Å; L225-F227 PolarHBondContact O-N 3.16Å; F227-A230 CarbonylContact O-C 3.46Å; F227-A230 PolarHBondContact O-N 3.12Å; F227-G231 PolarHBondContact O-N 2.87Å; F227-A232 HydrophobicContact CB-CB 4Å; F227-A232 WeakPolarHBondContact O-CB 3.19Å; F227-A232 PolarHBondContact O-N 2.96Å; F227-F234 HydrophobicContact CB-CE1 4.4Å; F227-F234 HydrophobicContact CB-CZ 3.84Å; F227-A243 HydrophobicContact CD1-CB 4.02Å; F227-F246 HydrophobicContact CB-CE1 4.36Å; F227-F246 HydrophobicContact CD1-CE1 4Å; F227-F246 AromaticContact CD1-CZ 3.45Å; F227-F246 HydrophobicContact CD1-CZ 3.45Å; F227-F246 VanDerWaalsContact CD1-CZ 3.45Å; F227-F246 AromaticContact CE1-CZ 3.7Å; F227-F246 HydrophobicContact CE1-CZ 3.7Å; F227-F246 HydrophobicContact CG-CE1 4.29Å; F227-F246 HydrophobicContact CG-CZ 4.17Å; F227-D304 HydrophobicContact CD1-CB 4.2Å; F227-D304 HydrophobicContact CE1-CB 3.41Å; F227-D304 VanDerWaalsContact CE1-CB 3.41Å; F227-D304 HydrophobicContact CZ-CB 3.61Å; F227-F485 HydrophobicContact CD2-CE2 4.33Å; F227-F485 HydrophobicContact CD2-CZ 4.24Å; F227-F485 HydrophobicContact CE2-CD2 4.14Å; F227-F485 AromaticContact CE2-CE2 3.49Å; F227-F485 HydrophobicContact CE2-CE2 3.49Å; F227-F485 VanDerWaalsContact CE2-CE2 3.49Å; F227-F485 AromaticContact CE2-CZ 3.84Å; F227-F485 HydrophobicContact CE2-CZ 3.84Å; F227-F485 HydrophobicContact CZ-CE2 4.27Å; F227-L499 HydrophobicContact CD2-CD1 4.49Å; F227-L499 HydrophobicContact CE2-CD2 4.38Å; F227-L499 HydrophobicContact CZ-CD2 4.27Å
228	K	94	Very high	94.5	Very high	117 Å²	117	42.8 Å²	42.8	51%	0.509	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-45.1	175.2	-174.4	176.3	-178	173.4	0	112.1	Y224 L225 A230 G231 F234	Y224-K228 HydrophobicContact CE1-CD 4.08Å; Y224-K228 VanDerWaalsContact O-CB 3.25Å; Y224-K228 WeakPolarHBondContact O-CB 3.38Å; Y224-K228 PolarHBondContact O-N 3.34Å; L225-K228 WeakPolarHBondContact O-CB 3.37Å; L225-K228 PolarHBondContact O-N 3.37Å; K228-A230 VanDerWaalsContact C-N 3.27Å; K228-A230 PolarHBondContact O-N 2.94Å; K228-G231 PolarHBondContact O-N 3.07Å; K228-F234 HydrophobicContact CB-CE2 3.93Å; K228-F234 HydrophobicContact CB-CZ 4.4Å; K228-F234 HydrophobicContact CG-CE2 4.44Å
229	E	94	Very high	94.4	Very high	156 Å²	156	39 Å²	39	73%	0.729	21%	0.212	S	C	*	.	H	α-helix	trans	-63.4	-32.8	176	-75.3	174.4	-176.7	0	0	112.5	L225 Q226 G231	L225-E229 WeakPolarHBondContact O-CB 3.27Å; L225-E229 WeakPolarHBondContact O-CG 3.27Å; L225-E229 PolarHBondContact O-N 2.91Å; Q226-E229 PolarHBondContact O-N 3.18Å; E229-G231 PolarHBondContact O-N 2.89Å
230	A	93.9	Very high	94.5	Very high	43 Å²	43	37.9 Å²	37.9	36%	0.355	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-0.2	173.5	0	0	0	0	0	113.9	Q226 F227 K228 F246 L499	Q226-A230 WeakPolarHBondContact O-CB 3.17Å; Q226-A230 PolarHBondContact O-N 3.18Å; F227-A230 CarbonylContact O-C 3.46Å; F227-A230 PolarHBondContact O-N 3.12Å; K228-A230 VanDerWaalsContact C-N 3.27Å; K228-A230 PolarHBondContact O-N 2.94Å; A230-F246 HydrophobicContact CB-CD1 4.19Å; A230-F246 HydrophobicContact CB-CE1 4.21Å; A230-L499 HydrophobicContact CB-CD1 3.5Å
231	G	93.3	Very high	94.5	Very high	19 Å²	19	35.5 Å²	35.5	20%	0.196	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	23.1	177.3	0	0	0	0	0	114.5	F227 K228 E229 V233 F246 A247	F227-G231 PolarHBondContact O-N 2.87Å; K228-G231 PolarHBondContact O-N 3.07Å; E229-G231 PolarHBondContact O-N 2.89Å; G231-V233 PolarHBondContact O-N 2.83Å; G231-F246 WeakPolarHBondContact O-CA 3.13Å; G231-A247 PolarHBondContact O-N 3.03Å
232	A	95.4	Very high	94.5	Very high	12 Å²	12	36 Å²	36	10%	0.099	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	128.8	174.2	0	0	0	0	0	111.5	F227 F234 A243 F246	F227-A232 HydrophobicContact CB-CB 4Å; F227-A232 WeakPolarHBondContact O-CB 3.19Å; F227-A232 PolarHBondContact O-N 2.96Å; A232-F234 HydrophobicContact CB-CD2 4.15Å; A232-F234 HydrophobicContact CB-CE1 4.19Å; A232-F234 HydrophobicContact CB-CE2 3.56Å; A232-F234 HydrophobicContact CB-CZ 3.59Å; A232-F234 WeakPolarHBondContact O-CD2 3.27Å; A232-A243 HydrophobicContact CB-CB 3.95Å; A232-F246 HydrophobicContact CB-CD1 3.94Å; A232-F246 HydrophobicContact CB-CE1 3.61Å; A232-F246 HydrophobicContact CB-CZ 4.13Å
233	V	94.6	Very high	94.4	Very high	23 Å²	23	33.6 Å²	33.6	14%	0.139	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.3	165.9	179	0	0	0	0	107.7	G231 L244 Y245 A247	G231-V233 PolarHBondContact O-N 2.83Å; V233-L244 WeakPolarHBondContact O-CB 3.38Å; V233-L244 PolarHBondContact O-N 3.35Å; V233-Y245 HydrophobicContact CB-CD1 4.13Å; V233-Y245 HydrophobicContact CB-CD2 4.47Å; V233-Y245 HydrophobicContact CB-CE1 3.69Å; V233-Y245 HydrophobicContact CB-CE2 4.08Å; V233-Y245 HydrophobicContact CB-CG 4.49Å; V233-Y245 HydrophobicContact CG1-CD1 4.48Å; V233-Y245 HydrophobicContact CG1-CE1 3.7Å; V233-Y245 HydrophobicContact CG2-CD2 4.29Å; V233-Y245 HydrophobicContact CG2-CE1 4.12Å; V233-Y245 HydrophobicContact CG2-CE2 3.65Å; V233-Y245 PolarHBondContact N-O 3.4Å; V233-A247 HydrophobicContact CG2-CB 4.17Å
234	F	94.8	Very high	94.3	Very high	30 Å²	30	34.4 Å²	34.4	13%	0.132	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	136.7	-171.1	-67.2	-88.1	0	0	0	113.2	R216 Y224 F227 K228 A232 E241 Q242 A243	R216-F234 PolarHBondContact NH2-O 3.01Å; Y224-F234 HydrophobicContact CD2-CD1 4.32Å; Y224-F234 AromaticContact CD2-CE1 3.74Å; Y224-F234 HydrophobicContact CD2-CE1 3.74Å; Y224-F234 HydrophobicContact CD2-CE2 4.12Å; Y224-F234 AromaticContact CD2-CZ 3.62Å; Y224-F234 HydrophobicContact CD2-CZ 3.62Å; Y224-F234 HydrophobicContact CE2-CD1 4.27Å; Y224-F234 HydrophobicContact CE2-CD2 4.04Å; Y224-F234 HydrophobicContact CE2-CE1 4.04Å; Y224-F234 AromaticContact CE2-CE2 3.78Å; Y224-F234 HydrophobicContact CE2-CE2 3.78Å; Y224-F234 HydrophobicContact CE2-CG 4.27Å; Y224-F234 AromaticContact CE2-CZ 3.78Å; Y224-F234 HydrophobicContact CE2-CZ 3.78Å; Y224-F234 HydrophobicContact CG-CZ 4.49Å; F227-F234 HydrophobicContact CB-CE1 4.4Å; F227-F234 HydrophobicContact CB-CZ 3.84Å; K228-F234 HydrophobicContact CB-CE2 3.93Å; K228-F234 HydrophobicContact CB-CZ 4.4Å; K228-F234 HydrophobicContact CG-CE2 4.44Å; A232-F234 HydrophobicContact CB-CD2 4.15Å; A232-F234 HydrophobicContact CB-CE1 4.19Å; A232-F234 HydrophobicContact CB-CE2 3.56Å; A232-F234 HydrophobicContact CB-CZ 3.59Å; A232-F234 WeakPolarHBondContact O-CD2 3.27Å; F234-E241 WeakPolarHBondContact CB-OE2 3.35Å; F234-E241 HydrophobicContact CD1-CB 3.81Å; F234-E241 HydrophobicContact CE1-CB 4.34Å; F234-E241 HydrophobicContact CG-CB 4.34Å; F234-Q242 CarbonylContact C-O 3.54Å; F234-Q242 WeakPolarHBondContact CA-O 3.4Å; F234-A243 HydrophobicContact CE1-CB 4.43Å
235	G	93.2	Very high	94.3	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	172.1	160	0	0	0	0	0	110.7	Q242	G235-Q242 PolarHBondContact N-O 2.8Å; G235-Q242 PolarHBondContact O-N 2.74Å
236	E	91.8	Very high	94.3	Very high	37 Å²	37	29.5 Å²	29.5	17%	0.173	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.2	-179.1	-175	-92.6	117.2	0	0	111.5	R194 M238 G239 F240	R194-E236 IonicContact CZ-OE2 3.76Å; R194-E236 IonicContact NH1-OE2 2.9Å; R194-E236 PolarHBondContact NH1-OE2 2.81Å; R194-E236 IonicContact NH2-OE2 3.4Å; R194-E236 PolarHBondContact NH2-OE2 2.85Å; E236-M238 PolarHBondContact OE1-N 2.67Å; E236-M238 VanDerWaalsContact OE1-N 3.08Å; E236-G239 WeakPolarHBondContact OE1-CA 3.2Å; E236-G239 PolarHBondContact OE1-N 3.09Å; E236-F240 VanDerWaalsContact CA-O 3.32Å; E236-F240 WeakPolarHBondContact CA-O 3.39Å
237	A	89	Confident	94	Very high	25 Å²	25	27.7 Å²	27.7	21%	0.207	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	125.9	167.5	0	0	0	0	0	110.9	G239 F240 Q242	A237-G239 PolarHBondContact O-N 2.83Å; A237-F240 PolarHBondContact N-O 3.04Å; A237-F240 WeakPolarHBondContact O-CB 3.06Å; A237-F240 PolarHBondContact O-N 3.4Å; A237-Q242 VanDerWaalsContact CB-OE1 3.29Å
238	M	90.3	Very high	93.1	Very high	17 Å²	17	32 Å²	32	8%	0.084	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	33.4	-177.7	-65.9	-68.7	-172	0	0	113.3	R180 V182 R219 E236 F240 S387 S388	R180-M238 WeakPolarHBondContact O-CE 3.27Å; V182-M238 HydrophobicContact CG1-CB 4.49Å; V182-M238 HydrophobicContact CG1-SD 3.9Å; V182-M238 HydrophobicContact CG2-SD 4.46Å; R219-M238 VanDerWaalsContact CD-O 3.28Å; R219-M238 WeakPolarHBondContact CD-O 3.14Å; R219-M238 PolarHBondContact NH1-O 3.35Å; E236-M238 PolarHBondContact OE1-N 2.67Å; E236-M238 VanDerWaalsContact OE1-N 3.08Å; M238-F240 PolarHBondContact O-N 3.5Å; M238-S387 WeakPolarHBondContact CG-O 3.39Å; M238-S388 WeakPolarHBondContact CE-O 3.45Å
239	G	92	Very high	91.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-3.8	-175.5	0	0	0	0	0	115	R219 E236 A237	R219-G239 WeakPolarHBondContact CB-O 3.45Å; R219-G239 PolarHBondContact N-O 2.9Å; E236-G239 WeakPolarHBondContact OE1-CA 3.2Å; E236-G239 PolarHBondContact OE1-N 3.09Å; A237-G239 PolarHBondContact O-N 2.83Å
240	F	95.2	Very high	89.6	Confident	12 Å²	12	30.5 Å²	30.5	5%	0.053	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	133.4	175	-83.6	-76.2	0	0	0	112	R219 E236 A237 M238 Q242 A307 T413	R219-F240 HydrophobicContact CB-CB 4.45Å; R219-F240 HydrophobicContact CB-CD1 3.53Å; R219-F240 HydrophobicContact CB-CD2 4.25Å; R219-F240 HydrophobicContact CB-CE1 3.77Å; R219-F240 HydrophobicContact CB-CG 3.79Å; R219-F240 HydrophobicContact CB-CZ 4.27Å; R219-F240 VanDerWaalsContact NE-CE2 3.31Å; R219-F240 CarbonylContact O-C 3.54Å; R219-F240 VanDerWaalsContact O-CA 3.25Å; R219-F240 WeakPolarHBondContact O-CA 3.39Å; E236-F240 VanDerWaalsContact CA-O 3.32Å; E236-F240 WeakPolarHBondContact CA-O 3.39Å; A237-F240 PolarHBondContact N-O 3.04Å; A237-F240 WeakPolarHBondContact O-CB 3.06Å; A237-F240 PolarHBondContact O-N 3.4Å; M238-F240 PolarHBondContact O-N 3.5Å; F240-Q242 HydrophobicContact CB-CG 4.41Å; F240-A307 HydrophobicContact CB-CB 3.59Å; F240-A307 HydrophobicContact CD1-CB 4.47Å; F240-A307 HydrophobicContact CD2-CB 3.72Å; F240-A307 HydrophobicContact CE2-CB 4.41Å; F240-A307 HydrophobicContact CG-CB 3.72Å; F240-T413 HydrophobicContact CE2-CG2 3.86Å; F240-T413 HydrophobicContact CZ-CG2 4.27Å
241	E	96.3	Very high	87.3	Confident	9 Å²	9	32 Å²	32	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	122	163.3	-63.2	-62.3	148.4	0	0	109.9	R216 N217 R219 T220 Y224 F234	R216-E241 IonicContact CZ-OE1 3.2Å; R216-E241 IonicContact CZ-OE2 3.87Å; R216-E241 IonicContact NE-OE1 2.76Å; R216-E241 PolarHBondContact NE-OE1 3.04Å; R216-E241 IonicContact NE-OE2 3.77Å; R216-E241 PolarHBondContact NE-OE2 3.28Å; R216-E241 IonicContact NH2-OE1 2.85Å; R216-E241 IonicContact NH2-OE2 3.79Å; R216-E241 PolarHBondContact NH2-OE2 2.94Å; N217-E241 HydrophobicContact CB-CG 4.49Å; N217-E241 PolarHBondContact N-OE1 3.41Å; R219-E241 PolarHBondContact O-N 2.85Å; T220-E241 HydrophobicContact CG2-CB 4.19Å; T220-E241 HydrophobicContact CG2-CG 3.92Å; Y224-E241 HydrophobicContact CD2-CB 3.81Å; Y224-E241 HydrophobicContact CD2-CG 4.17Å; Y224-E241 HydrophobicContact CE2-CB 3.82Å; Y224-E241 HydrophobicContact CE2-CG 3.78Å; F234-E241 WeakPolarHBondContact CB-OE2 3.35Å; F234-E241 HydrophobicContact CD1-CB 3.81Å; F234-E241 HydrophobicContact CE1-CB 4.34Å; F234-E241 HydrophobicContact CG-CB 4.34Å
242	Q	95.7	Very high	84.8	Confident	18 Å²	18	36.2 Å²	36.2	8%	0.084	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.8	177.1	-57.7	-166.9	-95.8	0	0	110.8	F234 G235 A237 F240 L244 A307 L502	F234-Q242 CarbonylContact C-O 3.54Å; F234-Q242 WeakPolarHBondContact CA-O 3.4Å; G235-Q242 PolarHBondContact N-O 2.8Å; G235-Q242 PolarHBondContact O-N 2.74Å; A237-Q242 VanDerWaalsContact CB-OE1 3.29Å; F240-Q242 HydrophobicContact CB-CG 4.41Å; Q242-L244 PolarHBondContact O-N 2.79Å; Q242-A307 VanDerWaalsContact CD-CB 3.42Å; Q242-A307 HydrophobicContact CG-CB 3.77Å; Q242-L502 HydrophobicContact CB-CD1 3.72Å; Q242-L502 HydrophobicContact CG-CD1 4.44Å
243	A	96.3	Very high	82.3	Confident	8 Å²	8	37 Å²	37	7%	0.066	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	119	176.2	0	0	0	0	0	110.5	F227 A232 F234 F246 G501 L502	F227-A243 HydrophobicContact CD1-CB 4.02Å; A232-A243 HydrophobicContact CB-CB 3.95Å; F234-A243 HydrophobicContact CE1-CB 4.43Å; A243-F246 HydrophobicContact CB-CE2 3.95Å; A243-F246 HydrophobicContact CB-CZ 3.88Å; A243-G501 VanDerWaalsContact O-CA 3.3Å; A243-G501 WeakPolarHBondContact O-CA 3.35Å; A243-L502 PolarHBondContact O-N 2.67Å
244	L	95.8	Very high	79.6	Confident	16 Å²	16	40.1 Å²	40.1	8%	0.084	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-44.5	175.2	-61.1	174.2	0	0	0	110.6	Q211 V233 Q242 G501 L502 Y503	Q211-L244 HydrophobicContact CG-CD1 4.1Å; V233-L244 WeakPolarHBondContact O-CB 3.38Å; V233-L244 PolarHBondContact O-N 3.35Å; Q242-L244 PolarHBondContact O-N 2.79Å; L244-G501 CarbonylContact O-C 3.59Å; L244-G501 WeakPolarHBondContact O-CA 3.45Å; L244-L502 HydrophobicContact CD2-CB 4.5Å; L244-L502 HydrophobicContact CD2-CD1 4.34Å; L244-L502 PolarHBondContact O-N 3.05Å; L244-Y503 HydrophobicContact CB-CD1 4.35Å; L244-Y503 HydrophobicContact CB-CD2 4.41Å; L244-Y503 HydrophobicContact CB-CE1 4.1Å; L244-Y503 HydrophobicContact CB-CE2 4.16Å; L244-Y503 HydrophobicContact CD1-CE1 4.47Å; L244-Y503 HydrophobicContact CD2-CD1 4.45Å; L244-Y503 HydrophobicContact CD2-CE1 3.88Å; L244-Y503 HydrophobicContact CG-CE1 4.37Å; L244-Y503 WeakPolarHBondContact O-CB 3.17Å; L244-Y503 PolarHBondContact O-N 3.36Å
245	Y	95.6	Very high	76.9	Confident	22 Å²	22	43.5 Å²	43.5	9%	0.086	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	172.6	175.8	65.7	-84.7	0	0	0	109.4	V233 A247 W285 F288 E292 Y503	V233-Y245 HydrophobicContact CB-CD1 4.13Å; V233-Y245 HydrophobicContact CB-CD2 4.47Å; V233-Y245 HydrophobicContact CB-CE1 3.69Å; V233-Y245 HydrophobicContact CB-CE2 4.08Å; V233-Y245 HydrophobicContact CB-CG 4.49Å; V233-Y245 HydrophobicContact CG1-CD1 4.48Å; V233-Y245 HydrophobicContact CG1-CE1 3.7Å; V233-Y245 HydrophobicContact CG2-CD2 4.29Å; V233-Y245 HydrophobicContact CG2-CE1 4.12Å; V233-Y245 HydrophobicContact CG2-CE2 3.65Å; V233-Y245 PolarHBondContact N-O 3.4Å; Y245-A247 HydrophobicContact CE2-CB 4.13Å; Y245-W285 HydrophobicContact CD1-CB 3.95Å; Y245-W285 HydrophobicContact CD1-CG 4.32Å; Y245-W285 HydrophobicContact CD2-CB 3.95Å; Y245-W285 HydrophobicContact CE1-CB 3.76Å; Y245-W285 HydrophobicContact CE1-CG 4.14Å; Y245-W285 HydrophobicContact CE2-CB 3.74Å; Y245-W285 HydrophobicContact CG-CB 4.05Å; Y245-F288 HydrophobicContact CD2-CB 4.11Å; Y245-F288 AromaticContact CD2-CD2 3.95Å; Y245-F288 HydrophobicContact CD2-CD2 3.95Å; Y245-F288 HydrophobicContact CD2-CG 4.36Å; Y245-F288 AromaticContact CE2-CD2 3.89Å; Y245-F288 HydrophobicContact CE2-CD2 3.89Å; Y245-F288 HydrophobicContact CE2-CE2 4.48Å; Y245-E292 VanDerWaalsContact CA-OE1 3.29Å; Y245-E292 WeakPolarHBondContact CA-OE1 3.32Å; Y245-E292 WeakPolarHBondContact CB-OE1 3.29Å; Y245-Y503 AromaticContact CD1-CD2 3.84Å; Y245-Y503 HydrophobicContact CD1-CD2 3.84Å; Y245-Y503 AromaticContact CD1-CE2 3.85Å; Y245-Y503 HydrophobicContact CD1-CE2 3.85Å; Y245-Y503 HydrophobicContact CE1-CE2 4.22Å
246	F	95.8	Very high	74.2	Confident	6 Å²	6	47 Å²	47	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.1	179.6	-69.1	-96.5	0	0	0	110.9	F227 A230 G231 A232 A243 T248 F288 E292 L499	F227-F246 HydrophobicContact CB-CE1 4.36Å; F227-F246 HydrophobicContact CD1-CE1 4Å; F227-F246 AromaticContact CD1-CZ 3.45Å; F227-F246 HydrophobicContact CD1-CZ 3.45Å; F227-F246 VanDerWaalsContact CD1-CZ 3.45Å; F227-F246 AromaticContact CE1-CZ 3.7Å; F227-F246 HydrophobicContact CE1-CZ 3.7Å; F227-F246 HydrophobicContact CG-CE1 4.29Å; F227-F246 HydrophobicContact CG-CZ 4.17Å; A230-F246 HydrophobicContact CB-CD1 4.19Å; A230-F246 HydrophobicContact CB-CE1 4.21Å; G231-F246 WeakPolarHBondContact O-CA 3.13Å; A232-F246 HydrophobicContact CB-CD1 3.94Å; A232-F246 HydrophobicContact CB-CE1 3.61Å; A232-F246 HydrophobicContact CB-CZ 4.13Å; A243-F246 HydrophobicContact CB-CE2 3.95Å; A243-F246 HydrophobicContact CB-CZ 3.88Å; F246-T248 HydrophobicContact CB-CG2 4.43Å; F246-T248 PolarHBondContact O-N 3.3Å; F246-T248 VanDerWaalsContact O-N 3.13Å; F246-F288 WeakPolarHBondContact O-CB 3.49Å; F246-E292 PolarHBondContact N-OE1 3.41Å; F246-L499 HydrophobicContact CD1-CB 4.01Å; F246-L499 HydrophobicContact CD1-CD1 4.05Å; F246-L499 HydrophobicContact CD2-CB 3.95Å; F246-L499 HydrophobicContact CE1-CB 3.64Å; F246-L499 HydrophobicContact CE1-CD1 3.39Å; F246-L499 HydrophobicContact CE1-CG 4.16Å; F246-L499 HydrophobicContact CE2-CB 3.59Å; F246-L499 HydrophobicContact CG-CB 4.15Å; F246-L499 HydrophobicContact CZ-CB 3.42Å; F246-L499 VanDerWaalsContact CZ-CB 3.42Å; F246-L499 HydrophobicContact CZ-CD1 3.82Å; F246-L499 HydrophobicContact CZ-CG 4.23Å
247	A	90.8	Very high	71.7	Confident	7 Å²	7	51.9 Å²	51.9	6%	0.058	27%	0.269	C	S	.	.			trans	-84.3	83.3	177	0	0	0	0	0	110.3	G231 V233 Y245 D249 T253 F288	G231-A247 PolarHBondContact O-N 3.03Å; V233-A247 HydrophobicContact CG2-CB 4.17Å; Y245-A247 HydrophobicContact CE2-CB 4.13Å; A247-D249 VanDerWaalsContact C-N 3.3Å; A247-D249 PolarHBondContact O-N 2.86Å; A247-T253 HydrophobicContact CB-CG2 3.89Å; A247-T253 PolarHBondContact O-OG1 2.76Å; A247-F288 HydrophobicContact CB-CE2 4.35Å; A247-F288 HydrophobicContact CB-CZ 4.49Å
248	T	76.6	Confident	69.4	Low	91 Å²	91	55.3 Å²	55.3	56%	0.558	28%	0.284	S	S	*	.			trans	-73.6	-14.9	-172.9	51.8	0	0	0	0	114.8	F246 K250	F246-T248 HydrophobicContact CB-CG2 4.43Å; F246-T248 PolarHBondContact O-N 3.3Å; F246-T248 VanDerWaalsContact O-N 3.13Å; T248-K250 PolarHBondContact O-N 3.34Å
249	D	66.3	Low	67	Low	72 Å²	72	62.9 Å²	62.9	39%	0.385	31%	0.311	S	S	.	.			trans	-77.7	90.3	175.5	-169.5	-1.7	0	0	0	111	A247 S251 N252 T253 F288	A247-D249 VanDerWaalsContact C-N 3.3Å; A247-D249 PolarHBondContact O-N 2.86Å; D249-S251 VanDerWaalsContact CG-OG 3.29Å; D249-S251 PolarHBondContact O-N 2.99Å; D249-S251 VanDerWaalsContact O-N 3.09Å; D249-S251 WeakPolarHBondContact OD1-CB 3.49Å; D249-S251 PolarHBondContact OD1-N 3.29Å; D249-S251 VanDerWaalsContact OD1-N 3.13Å; D249-S251 PolarHBondContact OD1-OG 2.82Å; D249-S251 PolarHBondContact OD2-OG 2.93Å; D249-N252 PolarHBondContact O-N 2.84Å; D249-T253 PolarHBondContact O-N 2.82Å; D249-T253 PolarHBondContact O-OG1 3.3Å; D249-F288 HydrophobicContact CB-CE1 4.35Å
250	K	49.7	Very low	64.6	Low	170 Å²	170	63.5 Å²	63.5	74%	0.739	32%	0.315	S	S	*	.	H	α-helix	trans	-58.2	-21.7	178.4	-67.1	-172.7	179	-176.8	0	113.2	T248	T248-K250 PolarHBondContact O-N 3.34Å
251	S	45.1	Very low	61.9	Low	76 Å²	76	65.3 Å²	65.3	53%	0.531	33%	0.327	S	S	.	.	H	α-helix	trans	-71.6	-30.6	-176.2	74.3	0	0	0	0	112.8	D249	D249-S251 VanDerWaalsContact CG-OG 3.29Å; D249-S251 PolarHBondContact O-N 2.99Å; D249-S251 VanDerWaalsContact O-N 3.09Å; D249-S251 WeakPolarHBondContact OD1-CB 3.49Å; D249-S251 PolarHBondContact OD1-N 3.29Å; D249-S251 VanDerWaalsContact OD1-N 3.13Å; D249-S251 PolarHBondContact OD1-OG 2.82Å; D249-S251 PolarHBondContact OD2-OG 2.93Å
252	N	40.3	Very low	59.2	Low	107 Å²	107	68.2 Å²	68.2	57%	0.572	35%	0.345	S	S	*	.	H	α-helix	trans	-102.5	-35.7	177.6	-92.2	-40.1	0	0	0	113	D249 V254 L255 W256	D249-N252 PolarHBondContact O-N 2.84Å; N252-V254 PolarHBondContact O-N 3.45Å; N252-L255 PolarHBondContact O-N 3.36Å; N252-W256 WeakPolarHBondContact O-CB 3.28Å; N252-W256 PolarHBondContact O-N 2.74Å
253	T	42.7	Very low	56.6	Low	28 Å²	28	70.4 Å²	70.4	17%	0.172	36%	0.359	C	S	.	.	H	α-helix	trans	-69.1	-38.5	-169.3	-42.3	0	0	0	0	113.4	A247 D249 W256 Y257	A247-T253 HydrophobicContact CB-CG2 3.89Å; A247-T253 PolarHBondContact O-OG1 2.76Å; D249-T253 PolarHBondContact O-N 2.82Å; D249-T253 PolarHBondContact O-OG1 3.3Å; T253-W256 HydrophobicContact CG2-CE3 4Å; T253-W256 HydrophobicContact CG2-CZ3 3.92Å; T253-Y257 WeakPolarHBondContact O-CB 3.46Å; T253-Y257 PolarHBondContact O-N 3.05Å
254	V	38.1	Very low	53.9	Low	89 Å²	89	71.4 Å²	71.4	54%	0.539	36%	0.362	S	S	.	.	H	α-helix	trans	-74.2	-39.5	179.9	176.1	0	0	0	0	111	N252 L258	N252-V254 PolarHBondContact O-N 3.45Å; V254-L258 HydrophobicContact CG1-CD1 3.49Å; V254-L258 VanDerWaalsContact CG1-CD1 3.49Å; V254-L258 HydrophobicContact CG1-CG 4.39Å; V254-L258 WeakPolarHBondContact O-CB 3.31Å; V254-L258 WeakPolarHBondContact O-CD1 3.31Å; V254-L258 WeakPolarHBondContact O-CG 3.49Å; V254-L258 PolarHBondContact O-N 2.92Å
255	L	37.7	Very low	51.2	Low	101 Å²	101	75.5 Å²	75.5	53%	0.529	39%	0.391	S	S	.	.	H	α-helix	trans	-74.2	-33.8	178.5	-114	143.5	0	0	0	112.6	N252 R259	N252-L255 PolarHBondContact O-N 3.36Å; L255-R259 WeakPolarHBondContact O-CA 3.08Å; L255-R259 WeakPolarHBondContact O-CB 3.27Å; L255-R259 WeakPolarHBondContact O-CG 3.35Å; L255-R259 PolarHBondContact O-N 2.93Å
256	W	37.3	Very low	48.5	Very low	74 Å²	74	81.1 Å²	81.1	28%	0.28	42%	0.422	S	S	.	.	H	α-helix	trans	-74.9	-45.4	173.6	159.4	78.6	0	0	0	112.1	N252 T253 R259 L260 I274	N252-W256 WeakPolarHBondContact O-CB 3.28Å; N252-W256 PolarHBondContact O-N 2.74Å; T253-W256 HydrophobicContact CG2-CE3 4Å; T253-W256 HydrophobicContact CG2-CZ3 3.92Å; W256-R259 PolarHBondContact O-N 3.18Å; W256-L260 HydrophobicContact CD2-CD1 4.23Å; W256-L260 HydrophobicContact CG-CD1 4.29Å; W256-L260 HydrophobicContact CZ2-CD1 4.06Å; W256-L260 VanDerWaalsContact O-CB 3.23Å; W256-L260 WeakPolarHBondContact O-CB 3.37Å; W256-L260 VanDerWaalsContact O-CG 3.29Å; W256-L260 WeakPolarHBondContact O-CG 3.37Å; W256-L260 PolarHBondContact O-N 3.49Å; W256-I274 HydrophobicContact CH2-CD1 3.52Å; W256-I274 HydrophobicContact CH2-CG1 4.14Å; W256-I274 HydrophobicContact CZ2-CD1 3.48Å; W256-I274 VanDerWaalsContact CZ2-CD1 3.48Å; W256-I274 HydrophobicContact CZ2-CG1 3.6Å
257	Y	40	Very low	45.6	Very low	140 Å²	140	85.9 Å²	85.9	55%	0.549	45%	0.447	S	S	.	.	H	α-helix	trans	-71.6	-37.7	179	-161.6	-90.5	0	0	0	111.7	T253 V261	T253-Y257 WeakPolarHBondContact O-CB 3.46Å; T253-Y257 PolarHBondContact O-N 3.05Å; Y257-V261 HydrophobicContact CD1-CG2 3.84Å; Y257-V261 HydrophobicContact CE1-CG2 3.62Å; Y257-V261 HydrophobicContact CG-CG2 4.48Å; Y257-V261 VanDerWaalsContact O-CB 3.28Å; Y257-V261 WeakPolarHBondContact O-CB 3.4Å; Y257-V261 VanDerWaalsContact O-CG2 3.23Å; Y257-V261 WeakPolarHBondContact O-CG2 3.23Å; Y257-V261 PolarHBondContact O-N 2.84Å
258	L	40.7	Very low	42.8	Very low	98 Å²	98	87.3 Å²	87.3	51%	0.513	46%	0.463	S	S	.	.	H	α-helix	trans	-72.6	-38.5	170.9	-73.6	163.6	0	0	0	112.1	V254 L260 T262	V254-L258 HydrophobicContact CG1-CD1 3.49Å; V254-L258 VanDerWaalsContact CG1-CD1 3.49Å; V254-L258 HydrophobicContact CG1-CG 4.39Å; V254-L258 WeakPolarHBondContact O-CB 3.31Å; V254-L258 WeakPolarHBondContact O-CD1 3.31Å; V254-L258 WeakPolarHBondContact O-CG 3.49Å; V254-L258 PolarHBondContact O-N 2.92Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L258-L260 PolarHBondContact O-N 3.04Å; L258-T262 WeakPolarHBondContact O-CA 3.33Å; L258-T262 WeakPolarHBondContact O-CB 3.11Å; L258-T262 PolarHBondContact O-N 3.44Å; L258-T262 PolarHBondContact O-OG1 2.91Å
259	R	39.5	Very low	40.6	Very low	175 Å²	175	86.8 Å²	86.8	66%	0.66	46%	0.456	S	S	*	.	H	α-helix	trans	-63	-43.6	172.4	-86.7	178	162.1	166.6	-4.4	111	L255 W256 V263	L255-R259 WeakPolarHBondContact O-CA 3.08Å; L255-R259 WeakPolarHBondContact O-CB 3.27Å; L255-R259 WeakPolarHBondContact O-CG 3.35Å; L255-R259 PolarHBondContact O-N 2.93Å; W256-R259 PolarHBondContact O-N 3.18Å; R259-V263 WeakPolarHBondContact O-CA 3.22Å; R259-V263 WeakPolarHBondContact O-CB 3.35Å; R259-V263 WeakPolarHBondContact O-CG2 3.5Å; R259-V263 PolarHBondContact O-N 3.21Å
260	L	41	Very low	39.1	Very low	15 Å²	15	85.2 Å²	85.2	8%	0.079	45%	0.45	C	S	.	.	H	α-helix	trans	-63.2	-58.5	175.8	-77.3	178.4	0	0	0	110.2	W256 L258 T262 F264 E273	W256-L260 HydrophobicContact CD2-CD1 4.23Å; W256-L260 HydrophobicContact CG-CD1 4.29Å; W256-L260 HydrophobicContact CZ2-CD1 4.06Å; W256-L260 VanDerWaalsContact O-CB 3.23Å; W256-L260 WeakPolarHBondContact O-CB 3.37Å; W256-L260 VanDerWaalsContact O-CG 3.29Å; W256-L260 WeakPolarHBondContact O-CG 3.37Å; W256-L260 PolarHBondContact O-N 3.49Å; L258-L260 VanDerWaalsContact C-N 3.35Å; L258-L260 PolarHBondContact O-N 3.04Å; L260-T262 PolarHBondContact O-N 3.25Å; L260-F264 HydrophobicContact CB-CD2 4.31Å; L260-F264 HydrophobicContact CD2-CD2 3.66Å; L260-F264 HydrophobicContact CD2-CE2 3.18Å; L260-F264 HydrophobicContact CD2-CZ 3.83Å; L260-F264 HydrophobicContact CG-CE2 4.47Å; L260-F264 WeakPolarHBondContact O-CA 3.48Å; L260-F264 WeakPolarHBondContact O-CB 3.45Å; L260-F264 WeakPolarHBondContact O-CD2 3.27Å; L260-F264 WeakPolarHBondContact O-CG 3.47Å; L260-F264 PolarHBondContact O-N 3.2Å; L260-E273 HydrophobicContact CD2-CB 4.13Å; L260-E273 HydrophobicContact CD2-CG 4.46Å
261	V	39.7	Very low	38.4	Very low	50 Å²	50	79.8 Å²	79.8	30%	0.303	43%	0.433	S	S	.	.	H	α-helix	trans	-63.5	-42.4	-176.5	175.7	0	0	0	0	112.1	Y257 C265	Y257-V261 HydrophobicContact CD1-CG2 3.84Å; Y257-V261 HydrophobicContact CE1-CG2 3.62Å; Y257-V261 HydrophobicContact CG-CG2 4.48Å; Y257-V261 VanDerWaalsContact O-CB 3.28Å; Y257-V261 WeakPolarHBondContact O-CB 3.4Å; Y257-V261 VanDerWaalsContact O-CG2 3.23Å; Y257-V261 WeakPolarHBondContact O-CG2 3.23Å; Y257-V261 PolarHBondContact O-N 2.84Å; V261-C265 WeakPolarHBondContact O-CA 3.13Å; V261-C265 WeakPolarHBondContact O-CB 3.23Å; V261-C265 PolarHBondContact O-N 2.8Å; V261-C265 PolarHBondContact O-SG 3.09Å
262	T	38.8	Very low	38	Very low	69 Å²	69	76.7 Å²	76.7	42%	0.423	41%	0.411	S	S	.	.	H	α-helix	trans	-72.5	-45.9	-179.1	-53.2	0	0	0	0	111.6	L258 L260 L266	L258-T262 WeakPolarHBondContact O-CA 3.33Å; L258-T262 WeakPolarHBondContact O-CB 3.11Å; L258-T262 PolarHBondContact O-N 3.44Å; L258-T262 PolarHBondContact O-OG1 2.91Å; L260-T262 PolarHBondContact O-N 3.25Å; T262-L266 HydrophobicContact CG2-CD1 3.7Å; T262-L266 WeakPolarHBondContact O-CB 3.37Å; T262-L266 WeakPolarHBondContact O-CD1 3.3Å; T262-L266 PolarHBondContact O-N 3.21Å
263	V	40	Very low	37.6	Very low	65 Å²	65	77.4 Å²	77.4	39%	0.394	41%	0.411	S	S	.	.	H	α-helix	trans	-71.4	-36.8	177.8	178.5	0	0	0	0	111.3	R259 L266 L267	R259-V263 WeakPolarHBondContact O-CA 3.22Å; R259-V263 WeakPolarHBondContact O-CB 3.35Å; R259-V263 WeakPolarHBondContact O-CG2 3.5Å; R259-V263 PolarHBondContact O-N 3.21Å; V263-L266 PolarHBondContact O-N 3.18Å; V263-L267 HydrophobicContact CG1-CD1 3.44Å; V263-L267 VanDerWaalsContact CG1-CD1 3.44Å; V263-L267 HydrophobicContact CG1-CG 4.07Å; V263-L267 WeakPolarHBondContact O-CB 3.38Å; V263-L267 VanDerWaalsContact O-CG 3.27Å; V263-L267 WeakPolarHBondContact O-CG 3.27Å; V263-L267 PolarHBondContact O-N 3.01Å
264	F	40.3	Very low	37.3	Very low	29 Å²	29	79.7 Å²	79.7	13%	0.127	42%	0.422	C	S	.	.	H	α-helix	trans	-75.6	-36.5	178.4	-76	-112.6	0	0	0	112.4	L260 G268 L269 P270 E273	L260-F264 HydrophobicContact CB-CD2 4.31Å; L260-F264 HydrophobicContact CD2-CD2 3.66Å; L260-F264 HydrophobicContact CD2-CE2 3.18Å; L260-F264 HydrophobicContact CD2-CZ 3.83Å; L260-F264 HydrophobicContact CG-CE2 4.47Å; L260-F264 WeakPolarHBondContact O-CA 3.48Å; L260-F264 WeakPolarHBondContact O-CB 3.45Å; L260-F264 WeakPolarHBondContact O-CD2 3.27Å; L260-F264 WeakPolarHBondContact O-CG 3.47Å; L260-F264 PolarHBondContact O-N 3.2Å; F264-G268 CarbonylContact O-C 3.42Å; F264-G268 WeakPolarHBondContact O-CA 3.09Å; F264-G268 PolarHBondContact O-N 3.38Å; F264-L269 HydrophobicContact CB-CB 4.42Å; F264-L269 WeakPolarHBondContact CB-O 3.39Å; F264-L269 HydrophobicContact CD1-CB 3.26Å; F264-L269 VanDerWaalsContact CD1-O 3.25Å; F264-L269 WeakPolarHBondContact CD1-O 3.26Å; F264-L269 HydrophobicContact CE1-CB 3.43Å; F264-L269 VanDerWaalsContact CE1-CB 3.43Å; F264-L269 HydrophobicContact CG-CB 3.95Å; F264-L269 HydrophobicContact CZ-CB 4.28Å; F264-L269 PolarHBondContact O-N 3.37Å; F264-L269 VanDerWaalsContact O-N 3.1Å; F264-P270 WeakPolarHBondContact CD1-O 3Å; F264-P270 WeakPolarHBondContact CE1-O 3.48Å; F264-E273 HydrophobicContact CZ-CG 4.26Å
265	C	38.7	Very low	37.2	Very low	102 Å²	102	75.5 Å²	75.5	69%	0.689	40%	0.397	S	S	*	.	H	α-helix	trans	-68.4	-36.5	169.4	-76.4	0	0	0	0	112.3	V261	V261-C265 WeakPolarHBondContact O-CA 3.13Å; V261-C265 WeakPolarHBondContact O-CB 3.23Å; V261-C265 PolarHBondContact O-N 2.8Å; V261-C265 PolarHBondContact O-SG 3.09Å
266	L	38.9	Very low	37.1	Very low	140 Å²	140	74.8 Å²	74.8	73%	0.733	39%	0.392	S	S	*	.	H	α-helix	trans	-73.5	-36.1	176.6	-92.7	143.5	0	0	0	113.2	T262 V263	T262-L266 HydrophobicContact CG2-CD1 3.7Å; T262-L266 WeakPolarHBondContact O-CB 3.37Å; T262-L266 WeakPolarHBondContact O-CD1 3.3Å; T262-L266 PolarHBondContact O-N 3.21Å; V263-L266 PolarHBondContact O-N 3.18Å
267	L	35.7	Very low	37.2	Very low	105 Å²	105	77.5 Å²	77.5	55%	0.55	41%	0.412	S	S	.	.	H	α-helix	trans	-96.3	-5	-179.7	-61.6	179.3	0	0	0	113.6	R63 V263 L269	R63-L267 PolarHBondContact NH2-O 3.39Å; V263-L267 HydrophobicContact CG1-CD1 3.44Å; V263-L267 VanDerWaalsContact CG1-CD1 3.44Å; V263-L267 HydrophobicContact CG1-CG 4.07Å; V263-L267 WeakPolarHBondContact O-CB 3.38Å; V263-L267 VanDerWaalsContact O-CG 3.27Å; V263-L267 WeakPolarHBondContact O-CG 3.27Å; V263-L267 PolarHBondContact O-N 3.01Å; L267-L269 HydrophobicContact CB-CD1 4.07Å; L267-L269 HydrophobicContact CB-CG 4.16Å; L267-L269 HydrophobicContact CD1-CD1 4.17Å; L267-L269 PolarHBondContact O-N 3.21Å
268	G	31.8	Very low	37.7	Very low	38 Å²	38	76.1 Å²	76.1	39%	0.392	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	14.6	-176.3	0	0	0	0	0	115	R63 F264	R63-G268 PolarHBondContact NE-O 3.23Å; R63-G268 PolarHBondContact NH2-O 3.02Å; F264-G268 CarbonylContact O-C 3.42Å; F264-G268 WeakPolarHBondContact O-CA 3.09Å; F264-G268 PolarHBondContact O-N 3.38Å
269	L	31	Very low	38.6	Very low	79 Å²	79	73 Å²	73	41%	0.414	39%	0.392	S	S	.	.			trans	-71.4	149.8	179.5	-67.5	166.7	0	0	0	108.6	F264 L267	F264-L269 HydrophobicContact CB-CB 4.42Å; F264-L269 WeakPolarHBondContact CB-O 3.39Å; F264-L269 HydrophobicContact CD1-CB 3.26Å; F264-L269 VanDerWaalsContact CD1-O 3.25Å; F264-L269 WeakPolarHBondContact CD1-O 3.26Å; F264-L269 HydrophobicContact CE1-CB 3.43Å; F264-L269 VanDerWaalsContact CE1-CB 3.43Å; F264-L269 HydrophobicContact CG-CB 3.95Å; F264-L269 HydrophobicContact CZ-CB 4.28Å; F264-L269 PolarHBondContact O-N 3.37Å; F264-L269 VanDerWaalsContact O-N 3.1Å; L267-L269 HydrophobicContact CB-CD1 4.07Å; L267-L269 HydrophobicContact CB-CG 4.16Å; L267-L269 HydrophobicContact CD1-CD1 4.17Å; L267-L269 PolarHBondContact O-N 3.21Å
270	P	34.5	Very low	40.2	Very low	39 Å²	39	67.7 Å²	67.7	25%	0.253	38%	0.379	S	S	.	.			trans	-71.8	133	176.1	29.3	-33.6	0	0	0	110.1	I62 F264 S272 I276	I62-P270 HydrophobicContact CD1-CB 4.27Å; I62-P270 HydrophobicContact CD1-CG 4.18Å; F264-P270 WeakPolarHBondContact CD1-O 3Å; F264-P270 WeakPolarHBondContact CE1-O 3.48Å; P270-S272 PolarHBondContact O-N 2.61Å; P270-S272 PolarHBondContact O-OG 2.88Å; P270-I276 HydrophobicContact CG-CD1 4.41Å
271	S	34.6	Very low	42.2	Very low	57 Å²	57	68.4 Å²	68.4	40%	0.399	39%	0.39	S	S	.	.	S	Bend	trans	-58.8	17.5	-174.4	-36	0	0	0	0	116.4	E273	S271-E273 PolarHBondContact O-N 2.65Å
272	S	36.9	Very low	44.6	Very low	10 Å²	10	69.4 Å²	69.4	7%	0.07	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-98.3	29.3	-159.8	49.5	0	0	0	0	114.8	P270 I274 G275 I276	P270-S272 PolarHBondContact O-N 2.61Å; P270-S272 PolarHBondContact O-OG 2.88Å; S272-I274 PolarHBondContact O-N 2.78Å; S272-G275 PolarHBondContact O-N 2.9Å; S272-I276 WeakPolarHBondContact O-CG1 3.31Å; S272-I276 PolarHBondContact O-N 3.16Å; S272-I276 WeakPolarHBondContact OG-CD1 3.34Å; S272-I276 WeakPolarHBondContact OG-CG1 3.3Å
273	E	32.6	Very low	46.9	Very low	122 Å²	122	66.7 Å²	66.7	57%	0.57	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-63.8	-6.1	158.9	-85.2	-157.5	-179	0	0	112.9	L260 F264 S271 G275	L260-E273 HydrophobicContact CD2-CB 4.13Å; L260-E273 HydrophobicContact CD2-CG 4.46Å; F264-E273 HydrophobicContact CZ-CG 4.26Å; S271-E273 PolarHBondContact O-N 2.65Å; E273-G275 VanDerWaalsContact C-N 3.32Å
274	I	35.9	Very low	49.1	Very low	76 Å²	76	72.4 Å²	72.4	39%	0.39	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-81.7	-3.7	165.9	-61.2	174.2	0	0	0	112.6	W256 S272	W256-I274 HydrophobicContact CH2-CD1 3.52Å; W256-I274 HydrophobicContact CH2-CG1 4.14Å; W256-I274 HydrophobicContact CZ2-CD1 3.48Å; W256-I274 VanDerWaalsContact CZ2-CD1 3.48Å; W256-I274 HydrophobicContact CZ2-CG1 3.6Å; S272-I274 PolarHBondContact O-N 2.78Å
275	G	34.7	Very low	51.5	Low	1 Å²	1	73.4 Å²	73.4	1%	0.01	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-165.9	14.5	-176	0	0	0	0	0	119.6	D207 S272 E273	D207-G275 VanDerWaalsContact CB-O 3.32Å; D207-G275 WeakPolarHBondContact CB-O 3.49Å; D207-G275 PolarHBondContact N-O 3.41Å; S272-G275 PolarHBondContact O-N 2.9Å; E273-G275 VanDerWaalsContact C-N 3.32Å
276	I	36.9	Very low	54.1	Low	86 Å²	86	69.7 Å²	69.7	44%	0.441	37%	0.369	S	S	.	.	S	Bend	trans	-90.3	-32.2	169.7	-60.1	167.6	0	0	0	111.9	P270 S272 Y278	P270-I276 HydrophobicContact CG-CD1 4.41Å; S272-I276 WeakPolarHBondContact O-CG1 3.31Å; S272-I276 PolarHBondContact O-N 3.16Å; S272-I276 WeakPolarHBondContact OG-CD1 3.34Å; S272-I276 WeakPolarHBondContact OG-CG1 3.3Å; I276-Y278 PolarHBondContact O-N 2.65Å
277	N	39.7	Very low	56.7	Low	131 Å²	131	66.7 Å²	66.7	70%	0.701	36%	0.358	S	S	*	.	S	Bend	trans	-88.1	101.2	174.4	-71.9	-29.9	0	0	0	108	P279	N277-P279 WeakPolarHBondContact O-CD 3.09Å
278	Y	50.5	Low	59.5	Low	111 Å²	111	63.9 Å²	63.9	44%	0.435	34%	0.342	S	S	.	.			trans	-45.4	110.3	167.9	-151	-83.6	0	0	0	107.1	P208 I276 V280	P208-Y278 HydrophobicContact CG-CE2 3.88Å; P208-Y278 WeakPolarHBondContact CG-OH 3.29Å; I276-Y278 PolarHBondContact O-N 2.65Å; Y278-V280 HydrophobicContact CD1-CG2 3.79Å; Y278-V280 PolarHBondContact O-N 3.46Å
279	P	59	Low	62.6	Low	32 Å²	32	62.1 Å²	62.1	21%	0.208	32%	0.323	C	S	.	.			trans	-74.3	83.5	174.8	28.8	-27.6	0	0	0	104.6	D207 N277 G281 Q575	D207-P279 VanDerWaalsContact CG-CD 3.45Å; D207-P279 WeakPolarHBondContact OD2-CD 3.41Å; N277-P279 WeakPolarHBondContact O-CD 3.09Å; P279-G281 PolarHBondContact O-N 3.01Å; P279-Q575 PolarHBondContact O-NE2 2.6Å
280	V	72.6	Confident	65.7	Low	64 Å²	64	59.1 Å²	59.1	39%	0.388	31%	0.31	S	S	.	.			trans	-59.4	-29.3	165.5	-178.8	0	0	0	0	106.8	Y278 P572 W573 A635	Y278-V280 HydrophobicContact CD1-CG2 3.79Å; Y278-V280 PolarHBondContact O-N 3.46Å; V280-P572 HydrophobicContact CG1-CB 3.49Å; V280-P572 VanDerWaalsContact CG1-CB 3.49Å; V280-P572 CarbonylContact O-C 3.51Å; V280-P572 VanDerWaalsContact O-C 3.27Å; V280-P572 WeakPolarHBondContact O-CA 3.49Å; V280-W573 PolarHBondContact O-N 2.76Å; V280-A635 HydrophobicContact CG1-CB 3.79Å
281	G	84.4	Confident	68.6	Low	30 Å²	30	59.5 Å²	59.5	31%	0.309	31%	0.313	S	S	.	.	S	Bend	trans	-102.5	-162.3	177.3	0	0	0	0	0	116	P279 W573	P279-G281 PolarHBondContact O-N 3.01Å; G281-W573 VanDerWaalsContact C-CD1 3.43Å
282	K	89	Confident	71.6	Confident	72 Å²	72	56.9 Å²	56.9	31%	0.313	30%	0.295	S	S	.	.			trans	-58	126.9	-178.7	-170.1	166.6	175.8	178.7	0	112.7	F286 I568 N569 W573	K282-F286 HydrophobicContact CG-CB 4.22Å; K282-F286 HydrophobicContact CG-CG 4.39Å; K282-I568 WeakPolarHBondContact CB-O 3.42Å; K282-N569 WeakPolarHBondContact CD-OD1 3.49Å; K282-N569 PolarHBondContact NZ-OD1 3.24Å; K282-N569 VanDerWaalsContact NZ-OD1 3.08Å; K282-W573 HydrophobicContact CB-CZ2 4.01Å; K282-W573 HydrophobicContact CD-CZ2 4.16Å; K282-W573 HydrophobicContact CG-CH2 4.28Å; K282-W573 HydrophobicContact CG-CZ2 3.6Å
283	P	87.9	Confident	74.4	Confident	12 Å²	12	56.5 Å²	56.5	8%	0.078	29%	0.292	C	S	.	.			trans	-72.8	144.9	179.9	26.6	-31.8	0	0	0	112	W285 F286 W573	P283-W285 HydrophobicContact CB-CD2 3.63Å; P283-W285 HydrophobicContact CB-CE3 4.27Å; P283-W285 HydrophobicContact CB-CG 3.98Å; P283-W285 HydrophobicContact CB-CH2 4.26Å; P283-W285 HydrophobicContact CB-CZ2 3.61Å; P283-W285 VanDerWaalsContact CB-NE1 3.33Å; P283-W285 HydrophobicContact CG-CD2 3.78Å; P283-W285 VanDerWaalsContact CG-CE2 3.49Å; P283-W285 HydrophobicContact CG-CE3 3.91Å; P283-W285 HydrophobicContact CG-CH2 3.55Å; P283-W285 HydrophobicContact CG-CZ2 3.38Å; P283-W285 HydrophobicContact CG-CZ3 3.81Å; P283-W285 PolarHBondContact O-N 3.47Å; P283-W285 VanDerWaalsContact O-N 3.16Å; P283-F286 HydrophobicContact CG-CB 4.35Å; P283-F286 VanDerWaalsContact O-CB 3.23Å; P283-F286 WeakPolarHBondContact O-CB 3.38Å; P283-F286 PolarHBondContact O-N 2.93Å; P283-W573 HydrophobicContact CG-CE3 4.05Å; P283-W573 HydrophobicContact CG-CH2 4.49Å; P283-W573 HydrophobicContact CG-CZ3 3.93Å
284	K	85.8	Confident	77.4	Confident	185 Å²	185	54.3 Å²	54.3	80%	0.804	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.4	176	-67.7	-177.5	-180	174.6	0	113.2	F286 P287	K284-F286 VanDerWaalsContact C-N 3.3Å; K284-P287 WeakPolarHBondContact O-CD 3.21Å
285	W	89.8	Confident	80.2	Confident	49 Å²	49	50.7 Å²	50.7	19%	0.186	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.8	178.9	52.9	-109.8	0	0	0	114.1	L209 Y245 P283 F288 V289 Y503	L209-W285 HydrophobicContact CD1-CZ2 4Å; Y245-W285 HydrophobicContact CD1-CB 3.95Å; Y245-W285 HydrophobicContact CD1-CG 4.32Å; Y245-W285 HydrophobicContact CD2-CB 3.95Å; Y245-W285 HydrophobicContact CE1-CB 3.76Å; Y245-W285 HydrophobicContact CE1-CG 4.14Å; Y245-W285 HydrophobicContact CE2-CB 3.74Å; Y245-W285 HydrophobicContact CG-CB 4.05Å; P283-W285 HydrophobicContact CB-CD2 3.63Å; P283-W285 HydrophobicContact CB-CE3 4.27Å; P283-W285 HydrophobicContact CB-CG 3.98Å; P283-W285 HydrophobicContact CB-CH2 4.26Å; P283-W285 HydrophobicContact CB-CZ2 3.61Å; P283-W285 VanDerWaalsContact CB-NE1 3.33Å; P283-W285 HydrophobicContact CG-CD2 3.78Å; P283-W285 VanDerWaalsContact CG-CE2 3.49Å; P283-W285 HydrophobicContact CG-CE3 3.91Å; P283-W285 HydrophobicContact CG-CH2 3.55Å; P283-W285 HydrophobicContact CG-CZ2 3.38Å; P283-W285 HydrophobicContact CG-CZ3 3.81Å; P283-W285 PolarHBondContact O-N 3.47Å; P283-W285 VanDerWaalsContact O-N 3.16Å; W285-F288 HydrophobicContact CB-CD2 4.48Å; W285-F288 PolarHBondContact O-N 3.25Å; W285-F288 VanDerWaalsContact O-N 3.13Å; W285-V289 HydrophobicContact CD2-CG2 4.25Å; W285-V289 HydrophobicContact CE3-CB 3.84Å; W285-V289 HydrophobicContact CE3-CG1 4.47Å; W285-V289 HydrophobicContact CE3-CG2 3.36Å; W285-V289 HydrophobicContact CZ3-CB 4.03Å; W285-V289 HydrophobicContact CZ3-CG1 4.18Å; W285-V289 HydrophobicContact CZ3-CG2 3.84Å; W285-V289 PolarHBondContact O-N 3.33Å; W285-V289 VanDerWaalsContact O-N 3.09Å; W285-Y503 AromaticContact CD1-CE2 3.86Å; W285-Y503 AromaticContact CD2-CD2 3.64Å; W285-Y503 HydrophobicContact CD2-CD2 3.64Å; W285-Y503 AromaticContact CD2-CE2 3.87Å; W285-Y503 HydrophobicContact CD2-CE2 3.87Å; W285-Y503 AromaticContact CE2-CD2 3.65Å; W285-Y503 AromaticContact CE2-CE2 3.53Å; W285-Y503 AromaticContact CE3-CD2 3.91Å; W285-Y503 HydrophobicContact CE3-CD2 3.91Å; W285-Y503 HydrophobicContact CG-CD2 4.11Å; W285-Y503 HydrophobicContact CG-CE2 4.07Å; W285-Y503 HydrophobicContact CH2-CD2 4.21Å; W285-Y503 AromaticContact CZ2-CD2 3.95Å; W285-Y503 HydrophobicContact CZ2-CD2 3.95Å; W285-Y503 AromaticContact CZ2-CE2 3.99Å; W285-Y503 HydrophobicContact CZ2-CE2 3.99Å; W285-Y503 HydrophobicContact CZ3-CD2 4.19Å; W285-Y503 AromaticContact NE1-CE2 3.52Å
286	F	93.1	Very high	83.1	Confident	24 Å²	24	50.7 Å²	50.7	11%	0.105	27%	0.265	C	S	.	.	H	α-helix	trans	-48.3	-50.1	-178	-178.3	-97.2	0	0	0	114.9	K282 P283 K284 F288 V289 A290 W573 Y595 F597	K282-F286 HydrophobicContact CG-CB 4.22Å; K282-F286 HydrophobicContact CG-CG 4.39Å; P283-F286 HydrophobicContact CG-CB 4.35Å; P283-F286 VanDerWaalsContact O-CB 3.23Å; P283-F286 WeakPolarHBondContact O-CB 3.38Å; P283-F286 PolarHBondContact O-N 2.93Å; K284-F286 VanDerWaalsContact C-N 3.3Å; F286-F288 VanDerWaalsContact C-N 3.31Å; F286-F288 PolarHBondContact O-N 2.61Å; F286-V289 PolarHBondContact O-N 2.99Å; F286-A290 WeakPolarHBondContact O-CB 3.4Å; F286-A290 PolarHBondContact O-N 3.35Å; F286-W573 AromaticContact CD2-CH2 3.36Å; F286-W573 HydrophobicContact CD2-CH2 3.36Å; F286-W573 HydrophobicContact CD2-CZ2 4.22Å; F286-W573 HydrophobicContact CD2-CZ3 4.11Å; F286-W573 AromaticContact CE2-CH2 3.55Å; F286-W573 HydrophobicContact CE2-CH2 3.55Å; F286-W573 HydrophobicContact CE2-CZ2 4.34Å; F286-W573 HydrophobicContact CE2-CZ3 4.47Å; F286-W573 HydrophobicContact CG-CH2 4.31Å; F286-Y595 AromaticContact CE2-CD1 3.63Å; F286-Y595 HydrophobicContact CE2-CD1 3.63Å; F286-Y595 HydrophobicContact CE2-CE1 4.24Å; F286-Y595 AromaticContact CE2-CG 3.78Å; F286-Y595 HydrophobicContact CE2-CG 3.78Å; F286-Y595 AromaticContact CZ-CD1 3.82Å; F286-Y595 HydrophobicContact CZ-CD1 3.82Å; F286-Y595 AromaticContact CZ-CE1 3.96Å; F286-Y595 HydrophobicContact CZ-CE1 3.96Å; F286-Y595 HydrophobicContact CZ-CG 4.31Å; F286-F597 HydrophobicContact CD2-CE1 4.24Å; F286-F597 HydrophobicContact CD2-CZ 4.25Å; F286-F597 HydrophobicContact CE1-CE1 4.33Å; F286-F597 HydrophobicContact CE2-CD1 4.49Å; F286-F597 AromaticContact CE2-CE1 3.49Å; F286-F597 HydrophobicContact CE2-CE1 3.49Å; F286-F597 VanDerWaalsContact CE2-CE1 3.49Å; F286-F597 AromaticContact CE2-CZ 3.81Å; F286-F597 HydrophobicContact CE2-CZ 3.81Å; F286-F597 HydrophobicContact CZ-CD1 4.33Å; F286-F597 AromaticContact CZ-CE1 3.57Å; F286-F597 HydrophobicContact CZ-CE1 3.57Å; F286-F597 HydrophobicContact CZ-CZ 4.35Å
287	P	94	Very high	85.7	Confident	78 Å²	78	46.8 Å²	46.8	51%	0.506	25%	0.245	S	C	.	.	H	α-helix	trans	-64.7	-33.5	-178.3	25.1	-34.8	0	0	0	113.2	K284 S291	K284-P287 WeakPolarHBondContact O-CD 3.21Å; P287-S291 PolarHBondContact O-N 2.79Å; P287-S291 VanDerWaalsContact O-N 3.12Å
288	F	95.5	Very high	88.2	Confident	46 Å²	46	44.9 Å²	44.9	20%	0.202	23%	0.232	C	C	.	.	H	α-helix	trans	-67.3	-48.1	176.5	-53.7	-55.9	0	0	0	110.5	Y245 F246 A247 D249 W285 F286 A290 S291 E292	Y245-F288 HydrophobicContact CD2-CB 4.11Å; Y245-F288 AromaticContact CD2-CD2 3.95Å; Y245-F288 HydrophobicContact CD2-CD2 3.95Å; Y245-F288 HydrophobicContact CD2-CG 4.36Å; Y245-F288 AromaticContact CE2-CD2 3.89Å; Y245-F288 HydrophobicContact CE2-CD2 3.89Å; Y245-F288 HydrophobicContact CE2-CE2 4.48Å; F246-F288 WeakPolarHBondContact O-CB 3.49Å; A247-F288 HydrophobicContact CB-CE2 4.35Å; A247-F288 HydrophobicContact CB-CZ 4.49Å; D249-F288 HydrophobicContact CB-CE1 4.35Å; W285-F288 HydrophobicContact CB-CD2 4.48Å; W285-F288 PolarHBondContact O-N 3.25Å; W285-F288 VanDerWaalsContact O-N 3.13Å; F286-F288 VanDerWaalsContact C-N 3.31Å; F286-F288 PolarHBondContact O-N 2.61Å; F288-A290 VanDerWaalsContact C-N 3.3Å; F288-A290 PolarHBondContact O-N 3.36Å; F288-S291 WeakPolarHBondContact O-CB 2.79Å; F288-S291 PolarHBondContact O-N 3.3Å; F288-S291 VanDerWaalsContact O-N 3.15Å; F288-E292 WeakPolarHBondContact O-CG 3.49Å; F288-E292 PolarHBondContact O-N 3.03Å
289	V	95.8	Very high	90.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-35	178.3	174.2	0	0	0	0	112	W285 F286 E292 Y293 Y503 A504 F597	W285-V289 HydrophobicContact CD2-CG2 4.25Å; W285-V289 HydrophobicContact CE3-CB 3.84Å; W285-V289 HydrophobicContact CE3-CG1 4.47Å; W285-V289 HydrophobicContact CE3-CG2 3.36Å; W285-V289 HydrophobicContact CZ3-CB 4.03Å; W285-V289 HydrophobicContact CZ3-CG1 4.18Å; W285-V289 HydrophobicContact CZ3-CG2 3.84Å; W285-V289 PolarHBondContact O-N 3.33Å; W285-V289 VanDerWaalsContact O-N 3.09Å; F286-V289 PolarHBondContact O-N 2.99Å; V289-E292 PolarHBondContact O-N 3.3Å; V289-Y293 VanDerWaalsContact O-CB 3.23Å; V289-Y293 WeakPolarHBondContact O-CB 3.31Å; V289-Y293 PolarHBondContact O-N 3.01Å; V289-Y503 HydrophobicContact CG2-CD2 4.13Å; V289-Y503 HydrophobicContact CG2-CG 4.4Å; V289-A504 HydrophobicContact CG1-CB 4.21Å; V289-F597 HydrophobicContact CG1-CE2 4.1Å; V289-F597 HydrophobicContact CG1-CZ 4.09Å
290	A	96.2	Very high	91.9	Very high	16 Å²	16	40.5 Å²	40.5	13%	0.132	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-45.2	173	0	0	0	0	0	111.8	F286 F288 Y293 N294 F597	F286-A290 WeakPolarHBondContact O-CB 3.4Å; F286-A290 PolarHBondContact O-N 3.35Å; F288-A290 VanDerWaalsContact C-N 3.3Å; F288-A290 PolarHBondContact O-N 3.36Å; A290-Y293 PolarHBondContact O-N 2.87Å; A290-N294 WeakPolarHBondContact O-CB 3.39Å; A290-N294 PolarHBondContact O-N 3.35Å; A290-N294 PolarHBondContact O-ND2 3.24Å; A290-F597 VanDerWaalsContact CA-CE1 3.44Å; A290-F597 HydrophobicContact CB-CD1 3.92Å; A290-F597 HydrophobicContact CB-CE1 3.35Å; A290-F597 HydrophobicContact CB-CZ 4.02Å
291	S	96.4	Very high	93.1	Very high	48 Å²	48	37.5 Å²	37.5	34%	0.336	19%	0.192	S	C	.	.	H	α-helix	trans	-62.3	-47.9	176.8	179.3	0	0	0	0	111.6	P287 F288 Y293 N294 A295 Q498	P287-S291 PolarHBondContact O-N 2.79Å; P287-S291 VanDerWaalsContact O-N 3.12Å; F288-S291 WeakPolarHBondContact O-CB 2.79Å; F288-S291 PolarHBondContact O-N 3.3Å; F288-S291 VanDerWaalsContact O-N 3.15Å; S291-Y293 PolarHBondContact O-N 3.09Å; S291-N294 PolarHBondContact O-N 3.2Å; S291-A295 PolarHBondContact O-N 2.94Å; S291-Q498 PolarHBondContact OG-NE2 3.43Å; S291-Q498 PolarHBondContact OG-OE1 3.13Å
292	E	97.4	Very high	93.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-43.9	177.2	-69.8	173.4	-150.5	0	0	112.7	Y245 F246 F288 V289 A295 C296 C500 G501 A504	Y245-E292 VanDerWaalsContact CA-OE1 3.29Å; Y245-E292 WeakPolarHBondContact CA-OE1 3.32Å; Y245-E292 WeakPolarHBondContact CB-OE1 3.29Å; F246-E292 PolarHBondContact N-OE1 3.41Å; F288-E292 WeakPolarHBondContact O-CG 3.49Å; F288-E292 PolarHBondContact O-N 3.03Å; V289-E292 PolarHBondContact O-N 3.3Å; E292-A295 PolarHBondContact O-N 2.95Å; E292-C296 PolarHBondContact O-N 2.94Å; E292-C296 VanDerWaalsContact O-N 3.13Å; E292-C296 PolarHBondContact O-SG 3.32Å; E292-C500 HydrophobicContact CB-CB 3.85Å; E292-C500 HydrophobicContact CG-CB 4.16Å; E292-G501 PolarHBondContact OE2-N 3.23Å; E292-A504 HydrophobicContact CB-CB 3.67Å
293	Y	95.9	Very high	94.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-57.7	-49.1	174.2	176.6	-79.8	0	0	0	110.6	V289 A290 S291 A295 C296 R297 L508 E511 F597 T598	V289-Y293 VanDerWaalsContact O-CB 3.23Å; V289-Y293 WeakPolarHBondContact O-CB 3.31Å; V289-Y293 PolarHBondContact O-N 3.01Å; A290-Y293 PolarHBondContact O-N 2.87Å; S291-Y293 PolarHBondContact O-N 3.09Å; Y293-A295 VanDerWaalsContact C-N 3.32Å; Y293-A295 PolarHBondContact O-N 3.06Å; Y293-C296 WeakPolarHBondContact O-CB 3.23Å; Y293-C296 PolarHBondContact O-N 2.87Å; Y293-C296 VanDerWaalsContact O-N 3.09Å; Y293-R297 HydrophobicContact CD1-CG 3.84Å; Y293-R297 HydrophobicContact CE1-CB 4.43Å; Y293-R297 HydrophobicContact CE1-CG 3.34Å; Y293-R297 HydrophobicContact CE2-CG 4.45Å; Y293-R297 WeakPolarHBondContact O-CG 3.15Å; Y293-R297 PolarHBondContact O-N 2.93Å; Y293-R297 VanDerWaalsContact O-N 3.11Å; Y293-L508 HydrophobicContact CD2-CD2 3.56Å; Y293-L508 HydrophobicContact CD2-CG 3.75Å; Y293-L508 HydrophobicContact CE2-CD2 3.35Å; Y293-L508 HydrophobicContact CE2-CG 3.85Å; Y293-L508 HydrophobicContact CG-CD2 4.32Å; Y293-E511 WeakPolarHBondContact CE2-OE2 3.47Å; Y293-E511 VanDerWaalsContact OH-CD 3.27Å; Y293-E511 PolarHBondContact OH-OE2 2.56Å; Y293-F597 HydrophobicContact CD1-CB 3.47Å; Y293-F597 VanDerWaalsContact CD1-CB 3.47Å; Y293-F597 AromaticContact CD1-CD2 3.92Å; Y293-F597 HydrophobicContact CD1-CD2 3.92Å; Y293-F597 AromaticContact CD1-CG 3.87Å; Y293-F597 HydrophobicContact CD1-CG 3.87Å; Y293-F597 HydrophobicContact CD2-CB 4.31Å; Y293-F597 AromaticContact CD2-CD2 3.47Å; Y293-F597 HydrophobicContact CD2-CD2 3.47Å; Y293-F597 VanDerWaalsContact CD2-CD2 3.47Å; Y293-F597 HydrophobicContact CD2-CE2 4.2Å; Y293-F597 HydrophobicContact CD2-CG 4.25Å; Y293-F597 HydrophobicContact CE1-CB 3.43Å; Y293-F597 VanDerWaalsContact CE1-CB 3.43Å; Y293-F597 HydrophobicContact CE1-CD2 4.41Å; Y293-F597 HydrophobicContact CE1-CG 4.28Å; Y293-F597 HydrophobicContact CE2-CB 4.24Å; Y293-F597 AromaticContact CE2-CD2 3.97Å; Y293-F597 HydrophobicContact CE2-CD2 3.97Å; Y293-F597 HydrophobicContact CG-CB 3.96Å; Y293-F597 AromaticContact CG-CD2 3.45Å; Y293-F597 HydrophobicContact CG-CD2 3.45Å; Y293-F597 VanDerWaalsContact CG-CD2 3.45Å; Y293-F597 HydrophobicContact CG-CE2 4.18Å; Y293-F597 AromaticContact CG-CG 3.89Å; Y293-F597 HydrophobicContact CG-CG 3.89Å; Y293-T598 PolarHBondContact OH-OG1 3.31Å
294	N	95	Very high	94.6	Very high	77 Å²	77	33.1 Å²	33.1	41%	0.412	16%	0.164	S	C	.	.	H	α-helix	trans	-61.1	-40.2	179.7	-71.8	-21	0	0	0	112	A290 S291 C296 R297 E298	A290-N294 WeakPolarHBondContact O-CB 3.39Å; A290-N294 PolarHBondContact O-N 3.35Å; A290-N294 PolarHBondContact O-ND2 3.24Å; S291-N294 PolarHBondContact O-N 3.2Å; N294-C296 VanDerWaalsContact C-N 3.29Å; N294-C296 PolarHBondContact O-N 2.66Å; N294-R297 PolarHBondContact O-N 3.33Å; N294-R297 VanDerWaalsContact O-N 3.13Å; N294-E298 WeakPolarHBondContact O-CB 3.01Å; N294-E298 PolarHBondContact O-N 2.96Å
295	A	95	Very high	95.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.6	-40.6	174.7	0	0	0	0	0	112	S291 E292 Y293 R297 R299 V300 A301 Q498	S291-A295 PolarHBondContact O-N 2.94Å; E292-A295 PolarHBondContact O-N 2.95Å; Y293-A295 VanDerWaalsContact C-N 3.32Å; Y293-A295 PolarHBondContact O-N 3.06Å; A295-R297 VanDerWaalsContact C-N 3.29Å; A295-R297 PolarHBondContact O-N 2.82Å; A295-R299 CarbonylContact O-C 3.43Å; A295-R299 VanDerWaalsContact O-C 3.26Å; A295-R299 WeakPolarHBondContact O-CA 3.35Å; A295-R299 PolarHBondContact O-N 3.15Å; A295-R299 VanDerWaalsContact O-N 3.11Å; A295-V300 PolarHBondContact O-N 3.22Å; A295-A301 HydrophobicContact CB-CB 4.14Å; A295-Q498 HydrophobicContact CB-CB 3.71Å; A295-Q498 HydrophobicContact CB-CG 4.42Å
296	C	95.2	Very high	95.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.5	-27.5	177	-61.1	0	0	0	0	113.2	E292 Y293 N294 A301 G423 E469 L508	E292-C296 PolarHBondContact O-N 2.94Å; E292-C296 VanDerWaalsContact O-N 3.13Å; E292-C296 PolarHBondContact O-SG 3.32Å; Y293-C296 WeakPolarHBondContact O-CB 3.23Å; Y293-C296 PolarHBondContact O-N 2.87Å; Y293-C296 VanDerWaalsContact O-N 3.09Å; N294-C296 VanDerWaalsContact C-N 3.29Å; N294-C296 PolarHBondContact O-N 2.66Å; C296-A301 HydrophobicContact CB-CB 4.4Å; C296-A301 WeakPolarHBondContact SG-CB 3.45Å; C296-G423 WeakPolarHBondContact O-CA 3.33Å; C296-E469 HydrophobicContact CB-CG 4.45Å; C296-L508 HydrophobicContact CB-CD1 3.68Å; C296-L508 HydrophobicContact CB-CD2 4.27Å
297	R	92.2	Very high	95.5	Very high	5 Å²	5	21.2 Å²	21.2	2%	0.019	12%	0.115	C	C	.	.	H	α-helix	trans	-91.7	-39.2	-175.3	-66.5	-67.4	-68.8	124.8	14.3	113.5	Y293 N294 A295 P424 E469 L508 P651	Y293-R297 HydrophobicContact CD1-CG 3.84Å; Y293-R297 HydrophobicContact CE1-CB 4.43Å; Y293-R297 HydrophobicContact CE1-CG 3.34Å; Y293-R297 HydrophobicContact CE2-CG 4.45Å; Y293-R297 WeakPolarHBondContact O-CG 3.15Å; Y293-R297 PolarHBondContact O-N 2.93Å; Y293-R297 VanDerWaalsContact O-N 3.11Å; N294-R297 PolarHBondContact O-N 3.33Å; N294-R297 VanDerWaalsContact O-N 3.13Å; A295-R297 VanDerWaalsContact C-N 3.29Å; A295-R297 PolarHBondContact O-N 2.82Å; R297-P424 VanDerWaalsContact O-CD 3.27Å; R297-P424 WeakPolarHBondContact O-CD 3.27Å; R297-E469 VanDerWaalsContact CD-CD 3.48Å; R297-E469 WeakPolarHBondContact CD-OE1 3.39Å; R297-E469 IonicContact CZ-OE1 2.94Å; R297-E469 IonicContact NE-OE1 2.75Å; R297-E469 IonicContact NH1-OE1 3.05Å; R297-E469 PolarHBondContact NH1-OE1 3.3Å; R297-E469 IonicContact NH1-OE2 3.77Å; R297-E469 PolarHBondContact NH1-OE2 3.24Å; R297-L508 HydrophobicContact CG-CD2 3.93Å; R297-P651 PolarHBondContact NH2-O 3.42Å
298	E	91	Very high	95.6	Very high	91 Å²	91	18.7 Å²	18.7	43%	0.425	10%	0.097	S	C	.	.	H	α-helix	trans	-108.1	-19.9	-168.1	-58.7	-55.7	139	0	0	113.1	N294 P424	N294-E298 WeakPolarHBondContact O-CB 3.01Å; N294-E298 PolarHBondContact O-N 2.96Å; E298-P424 VanDerWaalsContact C-CG 3.42Å; E298-P424 WeakPolarHBondContact O-CG 3.43Å
299	R	92.3	Very high	95.6	Very high	51 Å²	51	16.5 Å²	16.5	19%	0.192	9%	0.087	C	C	.	.	S	Bend	trans	-139.5	-124.2	-170.1	-50	-164.7	-66.9	-92.9	4.4	111.9	A295 G423 P424 T425 D496 Y661	A295-R299 CarbonylContact O-C 3.43Å; A295-R299 VanDerWaalsContact O-C 3.26Å; A295-R299 WeakPolarHBondContact O-CA 3.35Å; A295-R299 PolarHBondContact O-N 3.15Å; A295-R299 VanDerWaalsContact O-N 3.11Å; R299-G423 CarbonylContact O-C 3.26Å; R299-G423 VanDerWaalsContact O-CA 3.3Å; R299-G423 WeakPolarHBondContact O-CA 3.44Å; R299-P424 WeakPolarHBondContact O-CD 3.31Å; R299-P424 VanDerWaalsContact O-N 3.15Å; R299-T425 PolarHBondContact O-N 2.69Å; R299-T425 VanDerWaalsContact O-N 3.13Å; R299-T425 PolarHBondContact O-OG1 3.46Å; R299-D496 WeakPolarHBondContact CD-OD2 3.4Å; R299-D496 IonicContact CZ-OD2 2.84Å; R299-D496 IonicContact NE-OD2 3.8Å; R299-D496 PolarHBondContact NE-OD2 2.59Å; R299-D496 IonicContact NH1-OD2 2.81Å; R299-D496 IonicContact NH2-OD2 2.82Å; R299-D496 PolarHBondContact NH2-OD2 2.95Å; R299-Y661 HydrophobicContact CB-CE2 4.44Å; R299-Y661 HydrophobicContact CG-CE2 3.86Å
300	V	95.4	Very high	95.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.			trans	-136.3	136.9	171.7	59.6	0	0	0	0	110.8	A295 V421 L422 T425 L429 V497 Q498	A295-V300 PolarHBondContact O-N 3.22Å; V300-V421 HydrophobicContact CG2-CG1 3.72Å; V300-L422 CarbonylContact C-O 3.6Å; V300-L422 WeakPolarHBondContact CA-O 3.26Å; V300-T425 WeakPolarHBondContact CB-OG1 3.42Å; V300-T425 PolarHBondContact N-OG1 2.7Å; V300-L429 HydrophobicContact CG1-CD2 4.24Å; V300-L429 HydrophobicContact CG2-CD2 3.99Å; V300-V497 HydrophobicContact CG1-CB 3.9Å; V300-V497 HydrophobicContact CG1-CG2 4.04Å; V300-V497 WeakPolarHBondContact O-CA 3.34Å; V300-Q498 PolarHBondContact O-N 3.12Å; V300-Q498 VanDerWaalsContact O-N 3.17Å
301	A	97.3	Very high	95.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.3	173.4	0	0	0	0	0	111.7	A295 C296 L422 Q498 C500	A295-A301 HydrophobicContact CB-CB 4.14Å; C296-A301 HydrophobicContact CB-CB 4.4Å; C296-A301 WeakPolarHBondContact SG-CB 3.45Å; A301-L422 PolarHBondContact N-O 3.27Å; A301-L422 PolarHBondContact O-N 2.88Å; A301-Q498 CarbonylContact C-O 3.49Å; A301-Q498 WeakPolarHBondContact CA-O 3.28Å; A301-C500 HydrophobicContact CB-CB 4.08Å; A301-C500 VanDerWaalsContact CB-SG 3.56Å
302	I	97.9	Very high	95.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.7	176.6	-50.2	-62.2	0	0	0	109.2	L419 N420 V421 L488 M489 V497 Q498 L499 C500	I302-L419 HydrophobicContact CG2-CD1 4.19Å; I302-L419 HydrophobicContact CG2-CD2 4.24Å; I302-N420 WeakPolarHBondContact CA-O 3.43Å; I302-V421 HydrophobicContact CD1-CB 4.07Å; I302-V421 HydrophobicContact CD1-CG1 3.68Å; I302-V421 HydrophobicContact CD1-CG2 3.83Å; I302-L488 HydrophobicContact CD1-CD1 4.42Å; I302-M489 HydrophobicContact CG1-SD 4.32Å; I302-V497 HydrophobicContact CD1-CG2 4.21Å; I302-V497 HydrophobicContact CG1-CG2 3.61Å; I302-Q498 PolarHBondContact N-O 2.89Å; I302-L499 HydrophobicContact CB-CD2 4.01Å; I302-L499 WeakPolarHBondContact O-CA 3.47Å; I302-C500 PolarHBondContact O-N 2.67Å
303	M	97.7	Very high	95.5	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.1	178.9	179	176.3	-79.9	0	0	111.2	I305 L419 N420 L422 C500 G501 F505	M303-I305 HydrophobicContact CG-CG2 3.83Å; M303-I305 HydrophobicContact SD-CG2 3.79Å; M303-L419 CarbonylContact O-C 3.53Å; M303-L419 VanDerWaalsContact O-CA 3.31Å; M303-L419 WeakPolarHBondContact O-CA 3.19Å; M303-N420 HydrophobicContact CB-CB 4.25Å; M303-N420 PolarHBondContact N-O 3.5Å; M303-N420 PolarHBondContact O-N 2.78Å; M303-L422 HydrophobicContact CB-CD1 4.36Å; M303-C500 HydrophobicContact CE-CB 4.34Å; M303-C500 VanDerWaalsContact CE-SG 3.56Å; M303-G501 WeakPolarHBondContact CE-O 3.2Å; M303-F505 HydrophobicContact CE-CB 3.52Å; M303-F505 HydrophobicContact CE-CD2 4.19Å; M303-F505 HydrophobicContact CE-CG 4.26Å; M303-F505 HydrophobicContact SD-CB 3.95Å; M303-F505 HydrophobicContact SD-CD2 3.64Å; M303-F505 HydrophobicContact SD-CG 4.06Å
304	D	97.3	Very high	95.2	Very high	20 Å²	20	18.6 Å²	18.6	11%	0.107	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	114.1	169.6	-173.5	-4.4	0	0	0	110.8	S221 F227 S306 L419	S221-D304 WeakPolarHBondContact CB-OD2 3.5Å; S221-D304 PolarHBondContact OG-OD2 2.98Å; F227-D304 HydrophobicContact CD1-CB 4.2Å; F227-D304 HydrophobicContact CE1-CB 3.41Å; F227-D304 VanDerWaalsContact CE1-CB 3.41Å; F227-D304 HydrophobicContact CZ-CB 3.61Å; D304-S306 WeakPolarHBondContact OD1-CB 3.21Å; D304-S306 PolarHBondContact OD1-N 2.88Å; D304-S306 PolarHBondContact OD1-OG 2.8Å; D304-L419 HydrophobicContact CB-CD2 4.15Å
305	I	95.8	Very high	94.8	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.076	C	C	.	.			trans	-117.2	26.9	173.2	58.5	158.4	0	0	0	111.6	M303 A307 H308 T418 N420 T473	M303-I305 HydrophobicContact CG-CG2 3.83Å; M303-I305 HydrophobicContact SD-CG2 3.79Å; I305-A307 PolarHBondContact O-N 3.07Å; I305-H308 WeakPolarHBondContact O-CB 3.22Å; I305-H308 PolarHBondContact O-N 3.41Å; I305-T418 HydrophobicContact CD1-CG2 3.75Å; I305-T418 HydrophobicContact CG1-CG2 3.66Å; I305-T418 WeakPolarHBondContact CG1-O 3.48Å; I305-T418 PolarHBondContact N-O 2.54Å; I305-N420 WeakPolarHBondContact CD1-ND2 2.98Å; I305-N420 WeakPolarHBondContact CD1-OD1 3.32Å; I305-T473 HydrophobicContact CD1-CG2 4.1Å
306	S	96.7	Very high	93.7	Very high	5 Å²	5	20.5 Å²	20.5	4%	0.035	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.6	-178.6	-60	0	0	0	0	113.4	D304 H308 K310 T417 T418	D304-S306 WeakPolarHBondContact OD1-CB 3.21Å; D304-S306 PolarHBondContact OD1-N 2.88Å; D304-S306 PolarHBondContact OD1-OG 2.8Å; S306-H308 VanDerWaalsContact C-N 3.28Å; S306-H308 PolarHBondContact O-N 3.29Å; S306-K310 PolarHBondContact O-NZ 3.26Å; S306-T417 WeakPolarHBondContact OG-CA 3.23Å; S306-T418 PolarHBondContact N-O 2.92Å; S306-T418 PolarHBondContact OG-N 3.41Å
307	A	95.5	Very high	92.4	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.025	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.3	177.5	0	0	0	0	0	114.6	F240 Q242 I305 S309 S387	F240-A307 HydrophobicContact CB-CB 3.59Å; F240-A307 HydrophobicContact CD1-CB 4.47Å; F240-A307 HydrophobicContact CD2-CB 3.72Å; F240-A307 HydrophobicContact CE2-CB 4.41Å; F240-A307 HydrophobicContact CG-CB 3.72Å; Q242-A307 VanDerWaalsContact CD-CB 3.42Å; Q242-A307 HydrophobicContact CG-CB 3.77Å; I305-A307 PolarHBondContact O-N 3.07Å; A307-S309 PolarHBondContact O-N 2.91Å; A307-S387 WeakPolarHBondContact O-CA 3.37Å; A307-S387 WeakPolarHBondContact O-CB 3.45Å
308	H	95.6	Very high	90.8	Very high	25 Å²	25	27.4 Å²	27.4	12%	0.116	13%	0.133	C	C	.	.	S	Bend	trans	-54.3	135.4	174.8	-82	-164.7	0	0	0	110.2	I305 S306 K310 A385 H466	I305-H308 WeakPolarHBondContact O-CB 3.22Å; I305-H308 PolarHBondContact O-N 3.41Å; S306-H308 VanDerWaalsContact C-N 3.28Å; S306-H308 PolarHBondContact O-N 3.29Å; H308-K310 PolarHBondContact O-NZ 3.49Å; H308-A385 CarbonylContact C-O 3.56Å; H308-A385 WeakPolarHBondContact CA-O 3.46Å; H308-A385 WeakPolarHBondContact CB-O 3.45Å; H308-H466 AromaticContact CE1-CD2 3.82Å; H308-H466 AromaticContact ND1-CD2 3.86Å; H308-H466 AromaticContact ND1-NE2 3.82Å
309	S	96	Very high	89.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	139.3	-179.9	-47.3	0	0	0	0	110.4	A307 A384 A385 P386 S387 Q390 T413	A307-S309 PolarHBondContact O-N 2.91Å; S309-A384 CarbonylContact O-C 3.57Å; S309-A384 VanDerWaalsContact O-CA 3.26Å; S309-A384 WeakPolarHBondContact O-CA 3.42Å; S309-A385 PolarHBondContact N-O 3.06Å; S309-A385 PolarHBondContact O-N 3.2Å; S309-P386 PolarHBondContact OG-O 3.37Å; S309-P386 VanDerWaalsContact OG-O 3.08Å; S309-S387 PolarHBondContact OG-O 3.03Å; S309-Q390 WeakPolarHBondContact OG-CA 3.41Å; S309-Q390 VanDerWaalsContact OG-CB 3.26Å; S309-Q390 WeakPolarHBondContact OG-CB 3.25Å; S309-Q390 PolarHBondContact OG-N 2.52Å; S309-T413 WeakPolarHBondContact CA-OG1 3.16Å
310	K	97.1	Very high	87.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.7	-178.3	-55.9	162.5	-167.4	67.6	0	110.2	S306 H308 L382 L383 V412 T413 Y416 T418 Y475	S306-K310 PolarHBondContact O-NZ 3.26Å; H308-K310 PolarHBondContact O-NZ 3.49Å; K310-L382 HydrophobicContact CB-CD1 4.34Å; K310-L383 CarbonylContact C-O 3.58Å; K310-L383 VanDerWaalsContact CA-O 3.27Å; K310-L383 WeakPolarHBondContact CA-O 3.38Å; K310-V412 HydrophobicContact CB-CG2 3.83Å; K310-V412 PolarHBondContact O-N 3.31Å; K310-T413 PolarHBondContact N-OG1 2.9Å; K310-T413 PolarHBondContact O-N 3.08Å; K310-Y416 HydrophobicContact CD-CD2 4.21Å; K310-T418 WeakPolarHBondContact CE-OG1 3.32Å; K310-Y475 HydrophobicContact CD-CD1 4.05Å; K310-Y475 HydrophobicContact CD-CE1 4.16Å; K310-Y475 HydrophobicContact CG-CE1 4.24Å
311	F	97	Very high	85.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.5	177.6	-53.5	-77.8	0	0	0	110.9	L382 L383 Q390 L393 F394 L397 V409 H410 D411	F311-L382 WeakPolarHBondContact O-CA 3.22Å; F311-L383 HydrophobicContact CB-CB 4.42Å; F311-L383 HydrophobicContact CD2-CD2 3.82Å; F311-L383 HydrophobicContact CE2-CD2 4.48Å; F311-L383 PolarHBondContact N-O 2.85Å; F311-L383 PolarHBondContact O-N 2.91Å; F311-Q390 VanDerWaalsContact CZ-O 3.23Å; F311-Q390 WeakPolarHBondContact CZ-O 3.17Å; F311-L393 HydrophobicContact CD2-CD2 4.35Å; F311-L393 HydrophobicContact CD2-CG 4.44Å; F311-L393 HydrophobicContact CE2-CB 4.16Å; F311-L393 HydrophobicContact CE2-CD2 4.01Å; F311-L393 HydrophobicContact CE2-CG 4.03Å; F311-F394 HydrophobicContact CD1-CD2 4.01Å; F311-F394 HydrophobicContact CE1-CB 3.67Å; F311-F394 AromaticContact CE1-CD2 3.86Å; F311-F394 HydrophobicContact CE1-CD2 3.86Å; F311-F394 HydrophobicContact CE1-CG 4.2Å; F311-F394 HydrophobicContact CZ-CB 4.04Å; F311-L397 HydrophobicContact CB-CD1 4.28Å; F311-L397 HydrophobicContact CD2-CD1 4.18Å; F311-L397 HydrophobicContact CG-CD1 4.07Å; F311-V409 HydrophobicContact CB-CG1 4.19Å; F311-V409 HydrophobicContact CD1-CG1 4.21Å; F311-V409 HydrophobicContact CG-CG1 4.45Å; F311-H410 CarbonylContact C-O 3.51Å; F311-H410 VanDerWaalsContact CA-O 3.23Å; F311-H410 WeakPolarHBondContact CA-O 3.38Å; F311-D411 HydrophobicContact CD1-CB 4.07Å; F311-D411 HydrophobicContact CE1-CB 3.86Å
312	E	95.3	Very high	83.4	Confident	25 Å²	25	36 Å²	36	12%	0.117	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.5	166.2	-82.3	178.1	163	0	0	108.4	L382 H410 V412 K415 Y416 K460	E312-L382 HydrophobicContact CG-CD1 4.17Å; E312-H410 PolarHBondContact N-O 3.17Å; E312-H410 PolarHBondContact O-N 2.78Å; E312-V412 HydrophobicContact CB-CG1 4.09Å; E312-V412 HydrophobicContact CB-CG2 4.34Å; E312-V412 HydrophobicContact CG-CG1 4.15Å; E312-V412 HydrophobicContact CG-CG2 3.86Å; E312-K415 IonicContact OE1-NZ 2.61Å; E312-K415 IonicContact OE2-NZ 3.06Å; E312-K415 PolarHBondContact OE2-NZ 2.92Å; E312-K415 VanDerWaalsContact OE2-NZ 3.1Å; E312-Y416 PolarHBondContact OE1-OH 3.48Å; E312-K460 IonicContact OE1-NZ 3.81Å; E312-K460 PolarHBondContact OE1-NZ 2.95Å
313	I	94.5	Very high	81.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.2	-177.6	-55.6	170.2	0	0	0	107.8	V341 Y344 L345 Y381 L383 L397 I407 T408 V409	I313-V341 HydrophobicContact CB-CG1 4.27Å; I313-V341 HydrophobicContact CG2-CG1 3.78Å; I313-Y344 HydrophobicContact CG2-CD1 4.16Å; I313-Y344 HydrophobicContact CG2-CE1 4.13Å; I313-L345 HydrophobicContact CD1-CD1 4.26Å; I313-L345 HydrophobicContact CD1-CD2 3.62Å; I313-L345 HydrophobicContact CD1-CG 4.33Å; I313-Y381 PolarHBondContact N-O 2.88Å; I313-L383 HydrophobicContact CD1-CB 4.42Å; I313-L383 HydrophobicContact CD1-CD1 4.47Å; I313-L397 HydrophobicContact CD1-CD1 4.45Å; I313-L397 HydrophobicContact CD1-CD2 4.18Å; I313-I407 HydrophobicContact CG2-CG2 3.97Å; I313-T408 WeakPolarHBondContact CA-O 3.4Å; I313-V409 HydrophobicContact CG1-CG1 4.46Å; I313-V409 HydrophobicContact CG1-CG2 4.43Å
314	M	90.2	Very high	79.3	Confident	86 Å²	86	51 Å²	51	42%	0.424	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	170.4	-170.2	-53.5	-167.2	-58.8	0	0	110.6	I407 T408	M314-I407 WeakPolarHBondContact O-CA 3.4Å; M314-T408 PolarHBondContact N-O 2.99Å; M314-T408 PolarHBondContact O-N 3.04Å
315	V	85.1	Confident	77.1	Confident	21 Å²	21	54.2 Å²	54.2	13%	0.127	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	135.1	168.5	168.4	0	0	0	0	109.9	I317 T337 K340 V341 V406 I407	V315-I317 HydrophobicContact CG1-CG1 4.33Å; V315-I317 PolarHBondContact O-N 2.81Å; V315-T337 HydrophobicContact CB-CG2 3.95Å; V315-T337 HydrophobicContact CG1-CG2 4.14Å; V315-T337 HydrophobicContact CG2-CG2 4.14Å; V315-T337 WeakPolarHBondContact CG2-O 3.24Å; V315-K340 HydrophobicContact CG2-CB 3.99Å; V315-K340 HydrophobicContact CG2-CD 4.25Å; V315-V341 HydrophobicContact CG2-CG2 3.94Å; V315-V406 CarbonylContact C-O 3.42Å; V315-V406 WeakPolarHBondContact CA-O 3.33Å; V315-V406 HydrophobicContact CG1-CB 4.24Å; V315-V406 HydrophobicContact CG1-CG2 3.72Å; V315-V406 WeakPolarHBondContact CG1-O 3.46Å; V315-I407 HydrophobicContact CG2-CD1 4.23Å
316	F	73	Confident	75.1	Confident	95 Å²	95	59.5 Å²	59.5	42%	0.417	32%	0.318	S	S	.	.			trans	-66.6	116.3	166.9	-171.5	-110.3	0	0	0	108.9	D318 V406 T408	F316-D318 HydrophobicContact CD1-CB 4.41Å; F316-D318 HydrophobicContact CE1-CB 3.72Å; F316-D318 HydrophobicContact CZ-CB 4.35Å; F316-V406 HydrophobicContact CB-CB 4.42Å; F316-V406 PolarHBondContact N-O 3.11Å; F316-T408 HydrophobicContact CB-CG2 3.68Å; F316-T408 HydrophobicContact CD2-CG2 3.75Å; F316-T408 HydrophobicContact CG-CG2 4.15Å
317	I	67.3	Low	73	Confident	67 Å²	67	69.5 Å²	69.5	34%	0.344	36%	0.355	S	S	.	.			trans	-109	108.6	168.8	-54.3	178	0	0	0	106	V315 L319 L322	V315-I317 HydrophobicContact CG1-CG1 4.33Å; V315-I317 PolarHBondContact O-N 2.81Å; I317-L319 HydrophobicContact CB-CD2 4.43Å; I317-L319 HydrophobicContact CG2-CD2 3.72Å; I317-L319 HydrophobicContact CG2-CG 4.48Å; I317-L319 PolarHBondContact O-N 2.86Å; I317-L322 HydrophobicContact CG2-CD1 4.41Å
318	D	58.5	Low	71	Confident	83 Å²	83	72.6 Å²	72.6	44%	0.444	38%	0.376	S	S	.	.			trans	-68.4	105.2	171.1	-167.8	-9	0	0	0	108.6	F316 T320 P321	F316-D318 HydrophobicContact CD1-CB 4.41Å; F316-D318 HydrophobicContact CE1-CB 3.72Å; F316-D318 HydrophobicContact CZ-CB 4.35Å; D318-T320 VanDerWaalsContact C-N 3.31Å; D318-T320 WeakPolarHBondContact OD1-CB 3.34Å; D318-T320 PolarHBondContact OD1-N 3.31Å; D318-T320 PolarHBondContact OD1-OG1 2.83Å; D318-T320 PolarHBondContact OD2-OG1 2.89Å; D318-P321 VanDerWaalsContact O-CD 3.28Å; D318-P321 WeakPolarHBondContact O-CD 3.25Å
319	L	60.5	Low	69	Low	96 Å²	96	75.6 Å²	75.6	50%	0.503	39%	0.393	S	S	.	.			trans	-85.3	-2.1	178.1	-60.3	179.5	0	0	0	112.7	I317 P321 L322 L330	I317-L319 HydrophobicContact CB-CD2 4.43Å; I317-L319 HydrophobicContact CG2-CD2 3.72Å; I317-L319 HydrophobicContact CG2-CG 4.48Å; I317-L319 PolarHBondContact O-N 2.86Å; L319-P321 VanDerWaalsContact C-N 3.3Å; L319-L322 HydrophobicContact CB-CB 4.49Å; L319-L322 HydrophobicContact CD2-CB 4.42Å; L319-L322 HydrophobicContact CD2-CD1 3.31Å; L319-L322 HydrophobicContact CD2-CG 4.44Å; L319-L322 HydrophobicContact CG-CD1 4.46Å; L319-L322 WeakPolarHBondContact O-CB 3.47Å; L319-L322 PolarHBondContact O-N 2.85Å; L319-L330 HydrophobicContact CD2-CD2 4.24Å
320	T	58.5	Low	66.8	Low	109 Å²	109	79.1 Å²	79.1	67%	0.669	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-58.7	-30.9	179.3	53.7	0	0	0	0	114.6	D318 L322	D318-T320 VanDerWaalsContact C-N 3.31Å; D318-T320 WeakPolarHBondContact OD1-CB 3.34Å; D318-T320 PolarHBondContact OD1-N 3.31Å; D318-T320 PolarHBondContact OD1-OG1 2.83Å; D318-T320 PolarHBondContact OD2-OG1 2.89Å; T320-L322 VanDerWaalsContact C-N 3.32Å
321	P	52.2	Low	64.4	Low	81 Å²	81	83 Å²	83	53%	0.526	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-80.7	-8.7	172.9	-8.7	26.6	0	0	0	114	D318 L319	D318-P321 VanDerWaalsContact O-CD 3.28Å; D318-P321 WeakPolarHBondContact O-CD 3.25Å; L319-P321 VanDerWaalsContact C-N 3.3Å
322	L	50.1	Low	62	Low	38 Å²	38	85.9 Å²	85.9	20%	0.199	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-92	4.8	-164.2	-83.1	160.6	0	0	0	115.1	I317 L319 T320 S324 I325 L333	I317-L322 HydrophobicContact CG2-CD1 4.41Å; L319-L322 HydrophobicContact CB-CB 4.49Å; L319-L322 HydrophobicContact CD2-CB 4.42Å; L319-L322 HydrophobicContact CD2-CD1 3.31Å; L319-L322 HydrophobicContact CD2-CG 4.44Å; L319-L322 HydrophobicContact CG-CD1 4.46Å; L319-L322 WeakPolarHBondContact O-CB 3.47Å; L319-L322 PolarHBondContact O-N 2.85Å; T320-L322 VanDerWaalsContact C-N 3.32Å; L322-S324 PolarHBondContact O-N 2.99Å; L322-S324 VanDerWaalsContact O-N 3.12Å; L322-I325 HydrophobicContact CD2-CB 3.93Å; L322-I325 HydrophobicContact CD2-CD1 4.15Å; L322-I325 HydrophobicContact CD2-CG1 4.41Å; L322-I325 HydrophobicContact CD2-CG2 4.49Å; L322-L333 HydrophobicContact CD1-CD1 4.18Å
323	F	53.8	Low	59.8	Low	203 Å²	203	88.2 Å²	88.2	89%	0.89	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-66.7	-4.8	167.4	-82.1	-78.2	0	0	0	113.6
324	S	55.2	Low	57.6	Low	112 Å²	112	91.5 Å²	91.5	78%	0.783	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-118.6	0.6	-174.8	-39.5	0	0	0	0	115.2	L322	L322-S324 PolarHBondContact O-N 2.99Å; L322-S324 VanDerWaalsContact O-N 3.12Å
325	I	50.3	Low	55.3	Low	89 Å²	89	96.6 Å²	96.6	46%	0.456	51%	0.514	S	S	.	.	S	Bend	trans	-125	140.4	-171	-51.4	176.5	0	0	0	111	L322 L329	L322-I325 HydrophobicContact CD2-CB 3.93Å; L322-I325 HydrophobicContact CD2-CD1 4.15Å; L322-I325 HydrophobicContact CD2-CG1 4.41Å; L322-I325 HydrophobicContact CD2-CG2 4.49Å; I325-L329 HydrophobicContact CG2-CB 4.14Å; I325-L329 HydrophobicContact CG2-CD1 3.64Å; I325-L329 HydrophobicContact CG2-CG 4.44Å
326	D	55.4	Low	54	Low	112 Å²	112	96.9 Å²	96.9	60%	0.599	52%	0.522	S	S	*	.			trans	-53.3	135.9	179.4	-174.5	7.9	0	0	0	113	S328 L329	D326-S328 PolarHBondContact O-N 2.93Å; D326-S328 VanDerWaalsContact O-N 3.08Å; D326-S328 PolarHBondContact OD1-N 2.62Å; D326-S328 PolarHBondContact OD2-OG 2.83Å; D326-L329 PolarHBondContact O-N 2.8Å; D326-L329 VanDerWaalsContact O-N 3.13Å
327	R	52.8	Low	54.1	Low	214 Å²	214	93.9 Å²	93.9	81%	0.808	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.2	-179.4	-80.4	-174	-175.9	-160.5	1.5	113.1	L329 L330	R327-L329 PolarHBondContact O-N 3.36Å; R327-L330 HydrophobicContact CG-CD1 4.3Å; R327-L330 WeakPolarHBondContact O-CB 3.08Å; R327-L330 PolarHBondContact O-N 2.86Å
328	S	53.5	Low	54.9	Low	69 Å²	69	92.7 Å²	92.7	48%	0.483	51%	0.506	S	S	.	.	H	α-helix	trans	-59.5	-31.3	175.6	64.1	0	0	0	0	112.9	D326 L330 S331	D326-S328 PolarHBondContact O-N 2.93Å; D326-S328 VanDerWaalsContact O-N 3.08Å; D326-S328 PolarHBondContact OD1-N 2.62Å; D326-S328 PolarHBondContact OD2-OG 2.83Å; S328-L330 PolarHBondContact O-N 2.61Å; S328-S331 PolarHBondContact O-N 2.87Å; S328-S331 PolarHBondContact O-OG 2.87Å
329	L	52.2	Low	56.4	Low	87 Å²	87	95.7 Å²	95.7	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-75.4	-15.4	177.2	-97.1	135.2	0	0	0	114.6	I325 D326 R327 S331 S332 L333	I325-L329 HydrophobicContact CG2-CB 4.14Å; I325-L329 HydrophobicContact CG2-CD1 3.64Å; I325-L329 HydrophobicContact CG2-CG 4.44Å; D326-L329 PolarHBondContact O-N 2.8Å; D326-L329 VanDerWaalsContact O-N 3.13Å; R327-L329 PolarHBondContact O-N 3.36Å; L329-S331 PolarHBondContact O-N 2.81Å; L329-S332 PolarHBondContact O-N 2.85Å; L329-S332 PolarHBondContact O-OG 2.84Å; L329-L333 PolarHBondContact O-N 3.26Å; L329-L333 VanDerWaalsContact O-N 3.11Å
330	L	50.7	Low	57.9	Low	75 Å²	75	96.3 Å²	96.3	39%	0.393	52%	0.516	S	S	.	.	H	α-helix	trans	-66.6	-28.8	173.2	-84.7	153.4	0	0	0	112.1	L319 R327 S328 L333 S334	L319-L330 HydrophobicContact CD2-CD2 4.24Å; R327-L330 HydrophobicContact CG-CD1 4.3Å; R327-L330 WeakPolarHBondContact O-CB 3.08Å; R327-L330 PolarHBondContact O-N 2.86Å; S328-L330 PolarHBondContact O-N 2.61Å; L330-L333 HydrophobicContact CD2-CD1 4.47Å; L330-S334 PolarHBondContact O-OG 3.44Å
331	S	46	Very low	59.5	Low	82 Å²	82	91.2 Å²	91.2	57%	0.573	48%	0.484	S	S	*	.	H	α-helix	trans	-71.5	-36	176.5	70.8	0	0	0	0	112.5	S328 L329 S334	S328-S331 PolarHBondContact O-N 2.87Å; S328-S331 PolarHBondContact O-OG 2.87Å; L329-S331 PolarHBondContact O-N 2.81Å; S331-S334 VanDerWaalsContact O-CB 3.25Å; S331-S334 WeakPolarHBondContact O-CB 3.41Å; S331-S334 PolarHBondContact O-N 2.86Å; S331-S334 PolarHBondContact O-OG 3.02Å
332	S	47.1	Very low	61.5	Low	59 Å²	59	88 Å²	88	41%	0.413	46%	0.463	S	S	.	.	H	α-helix	trans	-76.9	-26.1	175.5	58.7	0	0	0	0	112.7	L329 S334 F335	L329-S332 PolarHBondContact O-N 2.85Å; L329-S332 PolarHBondContact O-OG 2.84Å; S332-S334 PolarHBondContact O-N 3.03Å; S332-F335 WeakPolarHBondContact O-CB 3.26Å; S332-F335 PolarHBondContact O-N 2.99Å; S332-F335 VanDerWaalsContact O-N 3.08Å
333	L	48.6	Very low	63.6	Low	74 Å²	74	89.7 Å²	89.7	39%	0.387	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.2	168.3	-78.6	164.5	0	0	0	113.3	L322 L329 L330 F335 T337	L322-L333 HydrophobicContact CD1-CD1 4.18Å; L329-L333 PolarHBondContact O-N 3.26Å; L329-L333 VanDerWaalsContact O-N 3.11Å; L330-L333 HydrophobicContact CD2-CD1 4.47Å; L333-F335 VanDerWaalsContact C-N 3.32Å; L333-T337 WeakPolarHBondContact O-CG2 3.42Å
334	S	48.4	Very low	65.6	Low	69 Å²	69	80 Å²	80	48%	0.483	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-20.5	173.2	-51.5	0	0	0	0	112.4	L330 S331 S332 G336 T337	L330-S334 PolarHBondContact O-OG 3.44Å; S331-S334 VanDerWaalsContact O-CB 3.25Å; S331-S334 WeakPolarHBondContact O-CB 3.41Å; S331-S334 PolarHBondContact O-N 2.86Å; S331-S334 PolarHBondContact O-OG 3.02Å; S332-S334 PolarHBondContact O-N 3.03Å; S334-G336 PolarHBondContact O-N 3.02Å; S334-T337 PolarHBondContact O-N 2.91Å; S334-T337 PolarHBondContact O-OG1 2.88Å
335	F	42.8	Very low	67.6	Low	193 Å²	193	74.8 Å²	74.8	85%	0.846	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	112.6	174.5	-91.2	-94.4	0	0	0	109.6	S332 L333	S332-F335 WeakPolarHBondContact O-CB 3.26Å; S332-F335 PolarHBondContact O-N 2.99Å; S332-F335 VanDerWaalsContact O-N 3.08Å; L333-F335 VanDerWaalsContact C-N 3.32Å
336	G	57.6	Low	69.8	Low	28 Å²	28	72.1 Å²	72.1	29%	0.289	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	-4.5	-179.7	0	0	0	0	0	115.3	S334 K340	S334-G336 PolarHBondContact O-N 3.02Å; G336-K340 VanDerWaalsContact O-CG 3.28Å; G336-K340 WeakPolarHBondContact O-CG 3.26Å; G336-K340 PolarHBondContact O-N 3.46Å
337	T	74.6	Confident	71.7	Confident	31 Å²	31	69.7 Å²	69.7	19%	0.19	37%	0.367	C	S	.	.	H	α-helix	trans	-69.8	-43.4	173.1	53.9	0	0	0	0	111.1	V315 L333 S334 K340 V341	V315-T337 HydrophobicContact CB-CG2 3.95Å; V315-T337 HydrophobicContact CG1-CG2 4.14Å; V315-T337 HydrophobicContact CG2-CG2 4.14Å; V315-T337 WeakPolarHBondContact CG2-O 3.24Å; L333-T337 WeakPolarHBondContact O-CG2 3.42Å; S334-T337 PolarHBondContact O-N 2.91Å; S334-T337 PolarHBondContact O-OG1 2.88Å; T337-K340 PolarHBondContact O-N 3.17Å; T337-V341 WeakPolarHBondContact O-CG2 3.28Å; T337-V341 PolarHBondContact O-N 2.81Å; T337-V341 VanDerWaalsContact O-N 3.14Å
338	D	83.8	Confident	73.9	Confident	43 Å²	43	59.5 Å²	59.5	23%	0.23	33%	0.329	C	S	.	.	H	α-helix	trans	-60	-48.8	176.3	177.3	68.1	0	0	0	112.3	K340 V341 V342 R380 Y381	D338-K340 VanDerWaalsContact C-N 3.3Å; D338-K340 PolarHBondContact O-N 3.39Å; D338-V341 PolarHBondContact O-N 2.87Å; D338-V342 WeakPolarHBondContact O-CB 3.36Å; D338-V342 VanDerWaalsContact O-CG2 3.27Å; D338-V342 WeakPolarHBondContact O-CG2 3.29Å; D338-V342 PolarHBondContact O-N 3.46Å; D338-R380 IonicContact OD1-CZ 3.95Å; D338-R380 IonicContact OD1-NE 3.54Å; D338-R380 PolarHBondContact OD1-NE 2.94Å; D338-R380 IonicContact OD1-NH2 2.79Å; D338-R380 PolarHBondContact OD1-NH2 2.58Å; D338-R380 IonicContact OD2-CZ 3.24Å; D338-R380 IonicContact OD2-NE 2.62Å; D338-R380 IonicContact OD2-NH2 2.81Å; D338-R380 PolarHBondContact OD2-NH2 3.05Å; D338-Y381 WeakPolarHBondContact CB-OH 3.35Å; D338-Y381 WeakPolarHBondContact OD1-CE1 3.49Å; D338-Y381 PolarHBondContact OD1-OH 3.31Å
339	E	89.5	Confident	76	Confident	145 Å²	145	56.2 Å²	56.2	68%	0.678	31%	0.306	S	S	*	.	H	α-helix	trans	-58.7	-41.1	179.1	-172.3	-177.4	175.4	0	0	111.9	V342 S343	E339-V342 PolarHBondContact O-N 3.37Å; E339-S343 VanDerWaalsContact O-CB 3.24Å; E339-S343 WeakPolarHBondContact O-CB 3.28Å; E339-S343 PolarHBondContact O-N 3.44Å
340	K	91.9	Very high	78.1	Confident	110 Å²	110	52.1 Å²	52.1	48%	0.478	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-46.8	176.8	-71.8	173.2	-177.2	-179.1	0	112	V315 G336 T337 D338 S343 Y344 V406 I407	V315-K340 HydrophobicContact CG2-CB 3.99Å; V315-K340 HydrophobicContact CG2-CD 4.25Å; G336-K340 VanDerWaalsContact O-CG 3.28Å; G336-K340 WeakPolarHBondContact O-CG 3.26Å; G336-K340 PolarHBondContact O-N 3.46Å; T337-K340 PolarHBondContact O-N 3.17Å; D338-K340 VanDerWaalsContact C-N 3.3Å; D338-K340 PolarHBondContact O-N 3.39Å; K340-S343 PolarHBondContact O-N 2.83Å; K340-Y344 WeakPolarHBondContact O-CB 3.06Å; K340-Y344 PolarHBondContact O-N 3.47Å; K340-V406 HydrophobicContact CD-CG2 3.84Å; K340-I407 HydrophobicContact CB-CD1 4.37Å
341	V	93.3	Very high	80.3	Confident	2 Å²	2	49 Å²	49	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-42.8	178.2	175.9	0	0	0	0	110.9	I313 V315 T337 D338 Y344 L345 Y381 I407	I313-V341 HydrophobicContact CB-CG1 4.27Å; I313-V341 HydrophobicContact CG2-CG1 3.78Å; V315-V341 HydrophobicContact CG2-CG2 3.94Å; T337-V341 WeakPolarHBondContact O-CG2 3.28Å; T337-V341 PolarHBondContact O-N 2.81Å; T337-V341 VanDerWaalsContact O-N 3.14Å; D338-V341 PolarHBondContact O-N 2.87Å; V341-Y344 PolarHBondContact O-N 2.89Å; V341-L345 HydrophobicContact CG1-CD1 3.76Å; V341-L345 HydrophobicContact CG1-CG 4.35Å; V341-L345 WeakPolarHBondContact O-CB 3.47Å; V341-L345 WeakPolarHBondContact O-CG 3.46Å; V341-L345 PolarHBondContact O-N 3.32Å; V341-Y381 HydrophobicContact CB-CD1 4.34Å; V341-Y381 HydrophobicContact CB-CE1 4.32Å; V341-Y381 HydrophobicContact CG1-CD1 3.82Å; V341-Y381 HydrophobicContact CG1-CE1 4.27Å; V341-I407 HydrophobicContact CB-CD1 4.43Å; V341-I407 HydrophobicContact CG2-CD1 3.79Å
342	V	94.7	Very high	82.7	Confident	14 Å²	14	46.2 Å²	46.2	9%	0.085	25%	0.25	C	C	.	.	H	α-helix	trans	-63.1	-42.8	177.2	171	0	0	0	0	110.8	D338 E339 L345 Q346 D354	D338-V342 WeakPolarHBondContact O-CB 3.36Å; D338-V342 VanDerWaalsContact O-CG2 3.27Å; D338-V342 WeakPolarHBondContact O-CG2 3.29Å; D338-V342 PolarHBondContact O-N 3.46Å; E339-V342 PolarHBondContact O-N 3.37Å; V342-L345 PolarHBondContact O-N 2.96Å; V342-Q346 HydrophobicContact CG1-CG 4.12Å; V342-Q346 VanDerWaalsContact O-CB 3.26Å; V342-Q346 WeakPolarHBondContact O-CB 3.46Å; V342-Q346 VanDerWaalsContact O-CG 3.23Å; V342-Q346 WeakPolarHBondContact O-CG 3.25Å; V342-Q346 PolarHBondContact O-N 3.39Å; V342-D354 HydrophobicContact CG1-CB 3.66Å
343	S	94.3	Very high	84.9	Confident	73 Å²	73	43.9 Å²	43.9	51%	0.51	23%	0.233	S	C	.	.	H	α-helix	trans	-61	-49	176.8	-177.6	0	0	0	0	111.8	E339 K340 L345 Q346 R347	E339-S343 VanDerWaalsContact O-CB 3.24Å; E339-S343 WeakPolarHBondContact O-CB 3.28Å; E339-S343 PolarHBondContact O-N 3.44Å; K340-S343 PolarHBondContact O-N 2.83Å; S343-L345 PolarHBondContact O-N 3.14Å; S343-Q346 PolarHBondContact O-N 3.18Å; S343-R347 PolarHBondContact O-N 3.22Å; S343-R347 VanDerWaalsContact O-N 3.09Å
344	Y	96	Very high	87.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55.6	-51.8	173.9	167.3	-102.5	0	0	0	111.2	I313 K340 V341 Q346 R347 L348 L397 I401 E405 I407	I313-Y344 HydrophobicContact CG2-CD1 4.16Å; I313-Y344 HydrophobicContact CG2-CE1 4.13Å; K340-Y344 WeakPolarHBondContact O-CB 3.06Å; K340-Y344 PolarHBondContact O-N 3.47Å; V341-Y344 PolarHBondContact O-N 2.89Å; Y344-Q346 VanDerWaalsContact C-N 3.32Å; Y344-Q346 PolarHBondContact O-N 3.35Å; Y344-R347 WeakPolarHBondContact O-CB 3.1Å; Y344-R347 PolarHBondContact O-N 3.26Å; Y344-R347 VanDerWaalsContact O-N 3.08Å; Y344-L348 HydrophobicContact CD2-CD1 3.95Å; Y344-L348 HydrophobicContact CE1-CD2 4.24Å; Y344-L348 HydrophobicContact CE2-CD1 3.69Å; Y344-L348 HydrophobicContact CE2-CD2 4.14Å; Y344-L348 WeakPolarHBondContact O-CD1 3.1Å; Y344-L348 PolarHBondContact O-N 3.48Å; Y344-L348 WeakPolarHBondContact OH-CD2 3.42Å; Y344-L397 HydrophobicContact CE1-CD2 4.29Å; Y344-L397 WeakPolarHBondContact OH-CA 3.35Å; Y344-L397 WeakPolarHBondContact OH-CB 3.49Å; Y344-L397 PolarHBondContact OH-O 3.2Å; Y344-I401 HydrophobicContact CE2-CG1 3.84Å; Y344-E405 WeakPolarHBondContact CD2-OE2 3.07Å; Y344-I407 HydrophobicContact CD1-CG2 4.12Å; Y344-I407 HydrophobicContact CE1-CG2 4.2Å; Y344-I407 HydrophobicContact CG-CG1 4.26Å; Y344-I407 HydrophobicContact CG-CG2 4.37Å
345	L	96.6	Very high	89.3	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-30.5	179.4	-72.9	173.4	0	0	0	113.3	I313 V341 V342 S343 R347 L348 C349 V353 L378	I313-L345 HydrophobicContact CD1-CD1 4.26Å; I313-L345 HydrophobicContact CD1-CD2 3.62Å; I313-L345 HydrophobicContact CD1-CG 4.33Å; V341-L345 HydrophobicContact CG1-CD1 3.76Å; V341-L345 HydrophobicContact CG1-CG 4.35Å; V341-L345 WeakPolarHBondContact O-CB 3.47Å; V341-L345 WeakPolarHBondContact O-CG 3.46Å; V341-L345 PolarHBondContact O-N 3.32Å; V342-L345 PolarHBondContact O-N 2.96Å; S343-L345 PolarHBondContact O-N 3.14Å; L345-R347 VanDerWaalsContact C-N 3.27Å; L345-R347 PolarHBondContact O-N 3.4Å; L345-L348 PolarHBondContact O-N 3.32Å; L345-C349 VanDerWaalsContact O-CB 3.25Å; L345-C349 WeakPolarHBondContact O-CB 3.43Å; L345-C349 PolarHBondContact O-N 2.78Å; L345-C349 PolarHBondContact O-SG 3.49Å; L345-C349 VanDerWaalsContact O-SG 3.39Å; L345-V353 HydrophobicContact CB-CG2 3.78Å; L345-L378 HydrophobicContact CD1-CD1 3.93Å; L345-L378 HydrophobicContact CD1-CD2 3.88Å
346	Q	95.8	Very high	91.7	Very high	34 Å²	34	43.7 Å²	43.7	16%	0.159	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-31.1	172.7	-81.6	-72.1	57.3	0	0	111.4	V342 S343 Y344 A351 S352 V353 D354 K540	V342-Q346 HydrophobicContact CG1-CG 4.12Å; V342-Q346 VanDerWaalsContact O-CB 3.26Å; V342-Q346 WeakPolarHBondContact O-CB 3.46Å; V342-Q346 VanDerWaalsContact O-CG 3.23Å; V342-Q346 WeakPolarHBondContact O-CG 3.25Å; V342-Q346 PolarHBondContact O-N 3.39Å; S343-Q346 PolarHBondContact O-N 3.18Å; Y344-Q346 VanDerWaalsContact C-N 3.32Å; Y344-Q346 PolarHBondContact O-N 3.35Å; Q346-A351 PolarHBondContact OE1-O 2.85Å; Q346-S352 PolarHBondContact NE2-OG 3.3Å; Q346-V353 HydrophobicContact CB-CG2 4.35Å; Q346-V353 HydrophobicContact CG-CG2 3.66Å; Q346-D354 HydrophobicContact CG-CB 4.28Å; Q346-K540 PolarHBondContact O-NZ 2.93Å
347	R	96.6	Very high	93.3	Very high	61 Å²	61	47.5 Å²	47.5	23%	0.23	25%	0.248	C	C	.	.	H	α-helix	trans	-72.5	-35.7	174.5	-179.2	164.3	51	84.3	5.9	112.4	S343 Y344 L345 H400 E402 E405 F542 I543	S343-R347 PolarHBondContact O-N 3.22Å; S343-R347 VanDerWaalsContact O-N 3.09Å; Y344-R347 WeakPolarHBondContact O-CB 3.1Å; Y344-R347 PolarHBondContact O-N 3.26Å; Y344-R347 VanDerWaalsContact O-N 3.08Å; L345-R347 VanDerWaalsContact C-N 3.27Å; L345-R347 PolarHBondContact O-N 3.4Å; R347-H400 PolarHBondContact NH1-O 3.37Å; R347-H400 PolarHBondContact NH2-O 3.46Å; R347-E402 IonicContact NH1-OE1 3.95Å; R347-E402 PolarHBondContact NH1-OE1 3.4Å; R347-E405 IonicContact CZ-OE1 2.88Å; R347-E405 IonicContact NE-OE1 2.65Å; R347-E405 IonicContact NH2-OE1 3.52Å; R347-E405 PolarHBondContact NH2-OE1 2.62Å; R347-E405 IonicContact NH2-OE2 3.62Å; R347-E405 PolarHBondContact NH2-OE2 2.78Å; R347-F542 VanDerWaalsContact O-CA 3.26Å; R347-F542 WeakPolarHBondContact O-CA 3.39Å; R347-F542 WeakPolarHBondContact O-CB 3.5Å; R347-I543 PolarHBondContact O-N 3.22Å; R347-I543 VanDerWaalsContact O-N 3.15Å
348	L	97.1	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-86.7	-39	-174.9	-83	74	0	0	0	114	Y344 L345 M365 L397 H400	Y344-L348 HydrophobicContact CD2-CD1 3.95Å; Y344-L348 HydrophobicContact CE1-CD2 4.24Å; Y344-L348 HydrophobicContact CE2-CD1 3.69Å; Y344-L348 HydrophobicContact CE2-CD2 4.14Å; Y344-L348 WeakPolarHBondContact O-CD1 3.1Å; Y344-L348 PolarHBondContact O-N 3.48Å; Y344-L348 WeakPolarHBondContact OH-CD2 3.42Å; L345-L348 PolarHBondContact O-N 3.32Å; L348-M365 HydrophobicContact CB-CE 4.28Å; L348-M365 HydrophobicContact CB-SD 4.33Å; L348-M365 HydrophobicContact CD2-SD 4.46Å; L348-M365 WeakPolarHBondContact O-CG 3.14Å; L348-L397 HydrophobicContact CD2-CD2 3.77Å; L348-H400 HydrophobicContact CD1-CB 3.98Å; L348-H400 HydrophobicContact CD2-CB 4.16Å; L348-H400 HydrophobicContact CG-CB 4.24Å
349	C	97.8	Very high	94.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-86.3	142.8	-174.8	-63.6	0	0	0	0	111.3	L345 V353 T363 G364 K540	L345-C349 VanDerWaalsContact O-CB 3.25Å; L345-C349 WeakPolarHBondContact O-CB 3.43Å; L345-C349 PolarHBondContact O-N 2.78Å; L345-C349 PolarHBondContact O-SG 3.49Å; L345-C349 VanDerWaalsContact O-SG 3.39Å; C349-V353 HydrophobicContact CB-CG1 3.65Å; C349-T363 HydrophobicContact CB-CG2 3.85Å; C349-T363 WeakPolarHBondContact CB-OG1 3.37Å; C349-G364 CarbonylContact C-O 3.27Å; C349-G364 WeakPolarHBondContact CA-O 3.38Å; C349-K540 WeakPolarHBondContact O-CE 3.14Å; C349-K540 PolarHBondContact O-NZ 3.41Å
350	S	97.3	Very high	95.1	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	21%	0.213	C	C	.	.	S	Bend	trans	-75.3	-30.6	172.3	48.8	0	0	0	0	114.3	T363 G364 Q366 N537 K540	S350-T363 PolarHBondContact N-OG1 3.02Å; S350-G364 PolarHBondContact N-O 2.83Å; S350-G364 PolarHBondContact OG-O 3.09Å; S350-Q366 PolarHBondContact OG-OE1 3.13Å; S350-N537 PolarHBondContact O-N 2.83Å; S350-K540 VanDerWaalsContact O-CE 3.27Å; S350-K540 WeakPolarHBondContact O-CE 3.33Å
351	A	96.8	Very high	95.3	Very high	9 Å²	9	34.8 Å²	34.8	7%	0.074	20%	0.196	C	C	.	.	S	Bend	trans	-78.4	160	177.1	0	0	0	0	0	110.4	Q346 V353 V361 T363 R535 K540	Q346-A351 PolarHBondContact OE1-O 2.85Å; A351-V353 PolarHBondContact O-N 3.21Å; A351-V361 HydrophobicContact CB-CG1 3.66Å; A351-T363 VanDerWaalsContact CB-OG1 3.31Å; A351-T363 WeakPolarHBondContact CB-OG1 3.27Å; A351-T363 PolarHBondContact N-OG1 3.41Å; A351-R535 WeakPolarHBondContact CB-O 3.44Å; A351-K540 WeakPolarHBondContact O-CE 3.2Å; A351-K540 PolarHBondContact O-NZ 3.16Å
352	S	95.9	Very high	95.3	Very high	24 Å²	24	37.3 Å²	37.3	17%	0.168	21%	0.206	C	C	.	.			trans	-74	111.6	169.5	-159.4	0	0	0	0	109.8	Q346 R355	Q346-S352 PolarHBondContact NE2-OG 3.3Å; S352-R355 WeakPolarHBondContact O-CG 3.36Å
353	V	94.6	Very high	95.3	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.055	20%	0.202	C	C	.	.			trans	-92.7	-15.3	177.2	-56.1	0	0	0	0	112.5	L345 Q346 C349 A351 R355 L378	L345-V353 HydrophobicContact CB-CG2 3.78Å; Q346-V353 HydrophobicContact CB-CG2 4.35Å; Q346-V353 HydrophobicContact CG-CG2 3.66Å; C349-V353 HydrophobicContact CB-CG1 3.65Å; A351-V353 PolarHBondContact O-N 3.21Å; V353-R355 VanDerWaalsContact C-N 3.27Å; V353-R355 PolarHBondContact O-N 3.35Å; V353-L378 HydrophobicContact CB-CD2 3.7Å; V353-L378 HydrophobicContact CG1-CD2 3.47Å; V353-L378 VanDerWaalsContact CG1-CD2 3.47Å; V353-L378 HydrophobicContact CG2-CD2 4.46Å
354	D	94.6	Very high	95.4	Very high	101 Å²	101	33.3 Å²	33.3	54%	0.54	18%	0.179	S	C	.	.			trans	-70.8	87.9	167.4	-173.9	18.4	0	0	0	109.4	V342 Q346	V342-D354 HydrophobicContact CG1-CB 3.66Å; Q346-D354 HydrophobicContact CG-CB 4.28Å
355	R	94.4	Very high	95.4	Very high	134 Å²	134	33.3 Å²	33.3	51%	0.506	18%	0.179	S	C	.	.			trans	-134.7	161	-178	-66	-64	-169.1	166.2	2.8	108.2	S352 V353 V357 T359 V361 R380	S352-R355 WeakPolarHBondContact O-CG 3.36Å; V353-R355 VanDerWaalsContact C-N 3.27Å; V353-R355 PolarHBondContact O-N 3.35Å; R355-V357 PolarHBondContact O-N 3.28Å; R355-T359 HydrophobicContact CB-CG2 3.79Å; R355-T359 HydrophobicContact CG-CG2 4.1Å; R355-V361 HydrophobicContact CG-CG2 4.01Å; R355-R380 PolarHBondContact O-NH1 3.15Å
356	P	93.1	Very high	95.4	Very high	98 Å²	98	33.2 Å²	33.2	64%	0.636	18%	0.179	S	C	*	.			trans	-53.6	141.3	173.8	-26.3	35.4	0	0	0	112	G358 T359	P356-G358 PolarHBondContact O-N 3.08Å; P356-T359 WeakPolarHBondContact O-CB 3.45Å; P356-T359 PolarHBondContact O-N 3.09Å; P356-T359 PolarHBondContact O-OG1 3.22Å
357	V	91.5	Very high	95.2	Very high	107 Å²	107	32 Å²	32	65%	0.648	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	140.2	174.5	177.3	0	0	0	0	109.9	R355 T359	R355-V357 PolarHBondContact O-N 3.28Å; V357-T359 VanDerWaalsContact C-N 3.32Å
358	G	93.1	Very high	94.9	Very high	21 Å²	21	33.7 Å²	33.7	22%	0.216	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-3.1	-172.1	0	0	0	0	0	114.1	P356 R447 C448	P356-G358 PolarHBondContact O-N 3.08Å; G358-R447 CarbonylContact O-C 3.57Å; G358-R447 VanDerWaalsContact O-CA 3.22Å; G358-R447 WeakPolarHBondContact O-CA 3.47Å; G358-R447 VanDerWaalsContact O-CD 3.25Å; G358-R447 WeakPolarHBondContact O-CD 3.08Å; G358-C448 WeakPolarHBondContact CA-O 3.33Å; G358-C448 PolarHBondContact O-N 3.33Å
359	T	95.8	Very high	94.6	Very high	18 Å²	18	37.6 Å²	37.6	11%	0.11	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-77.9	135.8	168.4	-57.5	0	0	0	0	110.8	R355 P356 V357 V361	R355-T359 HydrophobicContact CB-CG2 3.79Å; R355-T359 HydrophobicContact CG-CG2 4.1Å; P356-T359 WeakPolarHBondContact O-CB 3.45Å; P356-T359 PolarHBondContact O-N 3.09Å; P356-T359 PolarHBondContact O-OG1 3.22Å; V357-T359 VanDerWaalsContact C-N 3.32Å; T359-V361 HydrophobicContact CG2-CG2 4.03Å
360	T	96	Very high	94.3	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130	167.2	-61.5	0	0	0	0	109.5	T377 L378 S379 F446 C448 V462	T360-T377 HydrophobicContact CG2-CG2 3.26Å; T360-L378 CarbonylContact C-O 3.49Å; T360-L378 WeakPolarHBondContact CA-O 3.2Å; T360-S379 WeakPolarHBondContact CG2-OG 3.48Å; T360-S379 PolarHBondContact OG1-OG 2.73Å; T360-F446 PolarHBondContact N-O 3.43Å; T360-C448 WeakPolarHBondContact OG1-CB 3.41Å; T360-V462 HydrophobicContact CG2-CG1 3.84Å
361	V	95.2	Very high	94	Very high	20 Å²	20	37.6 Å²	37.6	12%	0.121	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.9	-179.4	-176.7	0	0	0	0	109.1	A351 R355 T359 L378	A351-V361 HydrophobicContact CB-CG1 3.66Å; R355-V361 HydrophobicContact CG-CG2 4.01Å; T359-V361 HydrophobicContact CG2-CG2 4.03Å; V361-L378 PolarHBondContact N-O 3.05Å; V361-L378 PolarHBondContact O-N 3.37Å
362	F	93.4	Very high	93.9	Very high	54 Å²	54	37.4 Å²	37.4	24%	0.237	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	120.2	166.5	-166.4	-85.8	0	0	0	108.7	D375 F446	F362-D375 WeakPolarHBondContact CE1-OD1 3.14Å; F362-D375 WeakPolarHBondContact CE1-OD2 3.23Å; F362-D375 WeakPolarHBondContact CZ-OD2 3.3Å; F362-F446 HydrophobicContact CB-CE1 4.34Å
363	T	95.4	Very high	93.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.7	-172.7	-171.4	0	0	0	0	112.3	C349 S350 A351 C376	C349-T363 HydrophobicContact CB-CG2 3.85Å; C349-T363 WeakPolarHBondContact CB-OG1 3.37Å; S350-T363 PolarHBondContact N-OG1 3.02Å; A351-T363 VanDerWaalsContact CB-OG1 3.31Å; A351-T363 WeakPolarHBondContact CB-OG1 3.27Å; A351-T363 PolarHBondContact N-OG1 3.41Å; T363-C376 PolarHBondContact N-O 2.83Å; T363-C376 PolarHBondContact O-N 2.71Å; T363-C376 VanDerWaalsContact O-O 3.1Å; T363-C376 PolarHBondContact O-SG 3.37Å
364	G	95.9	Very high	93.8	Very high	3 Å²	3	36.6 Å²	36.6	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	165.8	162.6	0	0	0	0	0	112	C349 S350 A374	C349-G364 CarbonylContact C-O 3.27Å; C349-G364 WeakPolarHBondContact CA-O 3.38Å; S350-G364 PolarHBondContact N-O 2.83Å; S350-G364 PolarHBondContact OG-O 3.09Å; G364-A374 CarbonylContact C-O 3.31Å; G364-A374 WeakPolarHBondContact CA-O 3.4Å
365	M	97.1	Very high	93.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.6	159.6	-61.2	178.4	178.2	0	0	107.5	L348 V373 A374 L383 L393 L397	L348-M365 HydrophobicContact CB-CE 4.28Å; L348-M365 HydrophobicContact CB-SD 4.33Å; L348-M365 HydrophobicContact CD2-SD 4.46Å; L348-M365 WeakPolarHBondContact O-CG 3.14Å; M365-V373 PolarHBondContact O-N 3.33Å; M365-A374 HydrophobicContact CB-CB 4.42Å; M365-A374 PolarHBondContact N-O 3.22Å; M365-A374 PolarHBondContact O-N 3.13Å; M365-L383 HydrophobicContact CE-CD1 3.57Å; M365-L393 HydrophobicContact CE-CD1 4.41Å; M365-L393 HydrophobicContact SD-CD1 3.69Å; M365-L397 HydrophobicContact CE-CD2 3.96Å; M365-L397 HydrophobicContact SD-CD2 4.46Å
366	Q	95.2	Very high	93.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	153.3	-175.9	-74.3	71.6	31.7	0	0	112.3	S350 G370 G371 W396 I543	S350-Q366 PolarHBondContact OG-OE1 3.13Å; Q366-G370 WeakPolarHBondContact CG-O 3.31Å; Q366-G371 CarbonylContact C-O 3.5Å; Q366-G371 WeakPolarHBondContact CA-O 3.4Å; Q366-W396 WeakPolarHBondContact O-CZ2 3.24Å; Q366-I543 WeakPolarHBondContact O-CG2 3.28Å
367	N	92.7	Very high	93.9	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.043	12%	0.119	C	C	.	.			trans	-81.8	176	164.8	62.7	21.4	0	0	0	110.9	E168 R369 G370 G371 V373 S523 G544	E168-N367 WeakPolarHBondContact OE2-CB 3.3Å; E168-N367 PolarHBondContact OE2-ND2 3.33Å; E168-N367 VanDerWaalsContact OE2-ND2 3.12Å; N367-R369 PolarHBondContact O-N 2.87Å; N367-R369 VanDerWaalsContact O-N 3.12Å; N367-R369 WeakPolarHBondContact OD1-CA 3.43Å; N367-R369 PolarHBondContact OD1-N 3.08Å; N367-R369 VanDerWaalsContact OD1-N 3.17Å; N367-G370 WeakPolarHBondContact O-CA 3.45Å; N367-G370 PolarHBondContact O-N 3.45Å; N367-G370 PolarHBondContact OD1-N 2.82Å; N367-G371 PolarHBondContact N-O 2.95Å; N367-G371 PolarHBondContact OD1-N 3.47Å; N367-G371 PolarHBondContact OD1-O 3.45Å; N367-V373 HydrophobicContact CB-CG2 3.91Å; N367-S523 PolarHBondContact ND2-O 2.96Å; N367-G544 WeakPolarHBondContact O-CA 3.33Å
368	D	91.2	Very high	94.1	Very high	97 Å²	97	16.8 Å²	16.8	52%	0.519	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.8	-178.9	-68.6	-39.1	0	0	0	113.6	G370 A547	D368-G370 VanDerWaalsContact C-N 3.35Å; D368-A547 WeakPolarHBondContact O-CB 3.26Å
369	R	89.2	Confident	94.2	Very high	81 Å²	81	16.4 Å²	16.4	31%	0.306	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.8	172.2	-75.3	173.7	-55.8	174.2	2.3	114.5	E168 P169 A170 N367 G371 A547 K551	E168-R369 VanDerWaalsContact CD-CZ 3.5Å; E168-R369 VanDerWaalsContact CD-NH2 3.27Å; E168-R369 WeakPolarHBondContact OE1-CD 3.26Å; E168-R369 WeakPolarHBondContact OE1-CG 3.11Å; E168-R369 IonicContact OE1-CZ 2.77Å; E168-R369 PolarHBondContact OE1-N 3.43Å; E168-R369 IonicContact OE1-NE 3.45Å; E168-R369 PolarHBondContact OE1-NE 2.85Å; E168-R369 IonicContact OE1-NH2 3.48Å; E168-R369 IonicContact OE2-CZ 3.96Å; E168-R369 IonicContact OE2-NE 2.92Å; E168-R369 PolarHBondContact OE2-NE 3.46Å; E168-R369 VanDerWaalsContact OE2-NE 3.14Å; E168-R369 IonicContact OE2-NH2 3.75Å; E168-R369 PolarHBondContact OE2-NH2 3.24Å; P169-R369 PolarHBondContact O-NH1 2.95Å; P169-R369 PolarHBondContact O-NH2 2.89Å; A170-R369 PolarHBondContact O-NH1 2.88Å; A170-R369 VanDerWaalsContact O-NH1 3.13Å; N367-R369 PolarHBondContact O-N 2.87Å; N367-R369 VanDerWaalsContact O-N 3.12Å; N367-R369 WeakPolarHBondContact OD1-CA 3.43Å; N367-R369 PolarHBondContact OD1-N 3.08Å; N367-R369 VanDerWaalsContact OD1-N 3.17Å; R369-G371 VanDerWaalsContact C-N 3.34Å; R369-A547 VanDerWaalsContact C-CB 3.43Å; R369-K551 PolarHBondContact O-NZ 3.34Å
370	G	91.4	Very high	93.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	79.3	9.3	177.8	0	0	0	0	0	114.9	Q366 N367 D368 P527	Q366-G370 WeakPolarHBondContact CG-O 3.31Å; N367-G370 WeakPolarHBondContact O-CA 3.45Å; N367-G370 PolarHBondContact O-N 3.45Å; N367-G370 PolarHBondContact OD1-N 2.82Å; D368-G370 VanDerWaalsContact C-N 3.35Å; G370-P527 VanDerWaalsContact O-CD 3.31Å; G370-P527 WeakPolarHBondContact O-CD 3.38Å
371	G	92.4	Very high	93.5	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.021	10%	0.1	C	C	.	.			trans	-86	159	175.9	0	0	0	0	0	112.7	Q366 N367 R369 V373 S523 A525	Q366-G371 CarbonylContact C-O 3.5Å; Q366-G371 WeakPolarHBondContact CA-O 3.4Å; N367-G371 PolarHBondContact N-O 2.95Å; N367-G371 PolarHBondContact OD1-N 3.47Å; N367-G371 PolarHBondContact OD1-O 3.45Å; R369-G371 VanDerWaalsContact C-N 3.34Å; G371-V373 PolarHBondContact O-N 3.4Å; G371-S523 WeakPolarHBondContact CA-O 3.27Å; G371-A525 WeakPolarHBondContact CA-O 3.45Å
372	Y	93.9	Very high	93.5	Very high	5 Å²	5	20.5 Å²	20.5	2%	0.02	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	116.6	-173.7	-74.7	-86.3	0	0	0	113.1	W517 I521 T522 S523 A525 P527	Y372-W517 PolarHBondContact O-NE1 2.98Å; Y372-I521 HydrophobicContact CD1-CD1 4.1Å; Y372-I521 HydrophobicContact CD2-CB 3.98Å; Y372-I521 HydrophobicContact CD2-CD1 3.97Å; Y372-I521 HydrophobicContact CD2-CG1 4.42Å; Y372-I521 HydrophobicContact CD2-CG2 4.35Å; Y372-I521 HydrophobicContact CE1-CD1 4.3Å; Y372-I521 HydrophobicContact CE2-CB 4.5Å; Y372-I521 HydrophobicContact CE2-CD1 4.21Å; Y372-I521 HydrophobicContact CE2-CG2 4.39Å; Y372-I521 HydrophobicContact CG-CB 4.49Å; Y372-I521 HydrophobicContact CG-CD1 3.92Å; Y372-T522 PolarHBondContact N-O 2.92Å; Y372-T522 VanDerWaalsContact N-O 3.17Å; Y372-T522 CarbonylContact O-C 3.58Å; Y372-T522 VanDerWaalsContact O-C 3.23Å; Y372-S523 VanDerWaalsContact O-CA 3.3Å; Y372-S523 WeakPolarHBondContact O-CA 3.42Å; Y372-S523 PolarHBondContact O-N 2.98Å; Y372-S523 VanDerWaalsContact O-N 3.15Å; Y372-A525 WeakPolarHBondContact CD2-O 3.23Å; Y372-A525 PolarHBondContact N-O 3.12Å; Y372-P527 HydrophobicContact CE1-CG 4.39Å; Y372-P527 HydrophobicContact CE2-CB 4.45Å; Y372-P527 HydrophobicContact CE2-CG 3.94Å
373	V	93.5	Very high	93.6	Very high	15 Å²	15	18 Å²	18	9%	0.091	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-42.2	163.2	178.1	0	0	0	0	110.5	M365 N367 G371 Q389 W396 W517	M365-V373 PolarHBondContact O-N 3.33Å; N367-V373 HydrophobicContact CB-CG2 3.91Å; G371-V373 PolarHBondContact O-N 3.4Å; V373-Q389 PolarHBondContact O-NE2 2.94Å; V373-W396 HydrophobicContact CB-CD2 4.28Å; V373-W396 HydrophobicContact CB-CE3 4.4Å; V373-W396 HydrophobicContact CG1-CB 4.15Å; V373-W396 HydrophobicContact CG1-CD2 3.58Å; V373-W396 HydrophobicContact CG1-CE3 3.7Å; V373-W396 HydrophobicContact CG1-CG 3.77Å; V373-W396 HydrophobicContact CG1-CZ3 4.32Å; V373-W396 HydrophobicContact CG2-CD2 4.27Å; V373-W396 HydrophobicContact CG2-CE3 4.02Å; V373-W396 HydrophobicContact CG2-CH2 3.77Å; V373-W396 HydrophobicContact CG2-CZ2 4.01Å; V373-W396 HydrophobicContact CG2-CZ3 3.76Å; V373-W517 WeakPolarHBondContact O-CZ2 3.41Å; V373-W517 PolarHBondContact O-NE1 3.42Å
374	A	94.7	Very high	93.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	155.5	176.8	0	0	0	0	0	111.3	G364 M365 L393	G364-A374 CarbonylContact C-O 3.31Å; G364-A374 WeakPolarHBondContact CA-O 3.4Å; M365-A374 HydrophobicContact CB-CB 4.42Å; M365-A374 PolarHBondContact N-O 3.22Å; M365-A374 PolarHBondContact O-N 3.13Å; A374-L393 HydrophobicContact CB-CD1 3.76Å; A374-L393 HydrophobicContact CB-CD2 4.1Å; A374-L393 HydrophobicContact CB-CG 4.46Å
375	D	94.1	Very high	93.6	Very high	12 Å²	12	18 Å²	18	6%	0.064	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	115.5	168	-166.8	35.9	0	0	0	106.7	F362 W517 I521	F362-D375 WeakPolarHBondContact CE1-OD1 3.14Å; F362-D375 WeakPolarHBondContact CE1-OD2 3.23Å; F362-D375 WeakPolarHBondContact CZ-OD2 3.3Å; D375-W517 HydrophobicContact CB-CB 4.28Å; D375-I521 HydrophobicContact CB-CD1 3.77Å
376	C	95.1	Very high	93.5	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.014	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	162.1	-163.3	62.7	0	0	0	0	112.8	T363 L383 A384 A385	T363-C376 PolarHBondContact N-O 2.83Å; T363-C376 PolarHBondContact O-N 2.71Å; T363-C376 VanDerWaalsContact O-O 3.1Å; T363-C376 PolarHBondContact O-SG 3.37Å; C376-L383 HydrophobicContact CB-CD1 4.48Å; C376-L383 HydrophobicContact CB-CD2 3.88Å; C376-L383 HydrophobicContact CB-CG 4.12Å; C376-A384 VanDerWaalsContact CA-O 3.31Å; C376-A384 WeakPolarHBondContact CA-O 3.02Å; C376-A384 VanDerWaalsContact CB-O 3.26Å; C376-A384 WeakPolarHBondContact CB-O 3.48Å; C376-A385 HydrophobicContact CB-CB 4.23Å
377	T	95	Very high	93.4	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.037	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.2	172.7	-58	0	0	0	0	108.3	T360 L383 A384	T360-T377 HydrophobicContact CG2-CG2 3.26Å; T377-L383 CarbonylContact O-C 3.59Å; T377-L383 WeakPolarHBondContact O-CA 3.24Å; T377-A384 PolarHBondContact N-O 3.39Å; T377-A384 PolarHBondContact O-N 2.96Å
378	L	95.8	Very high	93.3	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.026	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.3	-179.2	179.4	69	0	0	0	110	L345 V353 T360 V361 L383	L345-L378 HydrophobicContact CD1-CD1 3.93Å; L345-L378 HydrophobicContact CD1-CD2 3.88Å; V353-L378 HydrophobicContact CB-CD2 3.7Å; V353-L378 HydrophobicContact CG1-CD2 3.47Å; V353-L378 VanDerWaalsContact CG1-CD2 3.47Å; V353-L378 HydrophobicContact CG2-CD2 4.46Å; T360-L378 CarbonylContact C-O 3.49Å; T360-L378 WeakPolarHBondContact CA-O 3.2Å; V361-L378 PolarHBondContact N-O 3.05Å; V361-L378 PolarHBondContact O-N 3.37Å; L378-L383 HydrophobicContact CD1-CB 4.05Å
379	S	94.5	Very high	93.3	Very high	13 Å²	13	17.3 Å²	17.3	9%	0.091	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	85	172.7	-60.9	0	0	0	0	108.9	T360 Y381 L382	T360-S379 WeakPolarHBondContact CG2-OG 3.48Å; T360-S379 PolarHBondContact OG1-OG 2.73Å; S379-Y381 VanDerWaalsContact C-N 3.26Å; S379-Y381 PolarHBondContact O-N 3.04Å; S379-L382 PolarHBondContact N-O 2.87Å; S379-L382 PolarHBondContact O-N 3.31Å
380	R	87.3	Confident	93.5	Very high	36 Å²	36	14 Å²	14	14%	0.136	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-72.5	-171.9	-164.3	57.8	162.5	-159.6	-4.4	114.9	D338 R355	D338-R380 IonicContact OD1-CZ 3.95Å; D338-R380 IonicContact OD1-NE 3.54Å; D338-R380 PolarHBondContact OD1-NE 2.94Å; D338-R380 IonicContact OD1-NH2 2.79Å; D338-R380 PolarHBondContact OD1-NH2 2.58Å; D338-R380 IonicContact OD2-CZ 3.24Å; D338-R380 IonicContact OD2-NE 2.62Å; D338-R380 IonicContact OD2-NH2 2.81Å; D338-R380 PolarHBondContact OD2-NH2 3.05Å; R355-R380 PolarHBondContact O-NH1 3.15Å
381	Y	90.7	Very high	93.5	Very high	86 Å²	86	14.4 Å²	14.4	34%	0.337	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-16.9	-177.4	-47.7	-57	0	0	0	113.4	I313 D338 V341 S379	I313-Y381 PolarHBondContact N-O 2.88Å; D338-Y381 WeakPolarHBondContact CB-OH 3.35Å; D338-Y381 WeakPolarHBondContact OD1-CE1 3.49Å; D338-Y381 PolarHBondContact OD1-OH 3.31Å; V341-Y381 HydrophobicContact CB-CD1 4.34Å; V341-Y381 HydrophobicContact CB-CE1 4.32Å; V341-Y381 HydrophobicContact CG1-CD1 3.82Å; V341-Y381 HydrophobicContact CG1-CE1 4.27Å; S379-Y381 VanDerWaalsContact C-N 3.26Å; S379-Y381 PolarHBondContact O-N 3.04Å
382	L	95	Very high	93.5	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.031	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113	178.1	-179.7	65	0	0	0	109	K310 F311 E312 S379 V412 K460 Y475	K310-L382 HydrophobicContact CB-CD1 4.34Å; F311-L382 WeakPolarHBondContact O-CA 3.22Å; E312-L382 HydrophobicContact CG-CD1 4.17Å; S379-L382 PolarHBondContact N-O 2.87Å; S379-L382 PolarHBondContact O-N 3.31Å; L382-V412 HydrophobicContact CD1-CG2 4.19Å; L382-K460 HydrophobicContact CD2-CD 3.93Å; L382-Y475 HydrophobicContact CD2-CD1 4Å; L382-Y475 HydrophobicContact CD2-CD2 3.97Å; L382-Y475 HydrophobicContact CD2-CE1 4.08Å; L382-Y475 HydrophobicContact CD2-CE2 4.08Å; L382-Y475 HydrophobicContact CD2-CG 3.94Å
383	L	96.4	Very high	93.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.3	174.3	-172	152.2	0	0	0	109.3	K310 F311 I313 M365 C376 T377 L378 A385 L393	K310-L383 CarbonylContact C-O 3.58Å; K310-L383 VanDerWaalsContact CA-O 3.27Å; K310-L383 WeakPolarHBondContact CA-O 3.38Å; F311-L383 HydrophobicContact CB-CB 4.42Å; F311-L383 HydrophobicContact CD2-CD2 3.82Å; F311-L383 HydrophobicContact CE2-CD2 4.48Å; F311-L383 PolarHBondContact N-O 2.85Å; F311-L383 PolarHBondContact O-N 2.91Å; I313-L383 HydrophobicContact CD1-CB 4.42Å; I313-L383 HydrophobicContact CD1-CD1 4.47Å; M365-L383 HydrophobicContact CE-CD1 3.57Å; C376-L383 HydrophobicContact CB-CD1 4.48Å; C376-L383 HydrophobicContact CB-CD2 3.88Å; C376-L383 HydrophobicContact CB-CG 4.12Å; T377-L383 CarbonylContact O-C 3.59Å; T377-L383 WeakPolarHBondContact O-CA 3.24Å; L378-L383 HydrophobicContact CD1-CB 4.05Å; L383-A385 HydrophobicContact CD2-CB 4.37Å; L383-L393 HydrophobicContact CD2-CD2 3.36Å; L383-L393 HydrophobicContact CD2-CG 4.32Å
384	A	96	Very high	93.5	Very high	2 Å²	2	16 Å²	16	2%	0.017	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.1	174.7	0	0	0	0	0	111.5	S309 C376 T377 Y475	S309-A384 CarbonylContact O-C 3.57Å; S309-A384 VanDerWaalsContact O-CA 3.26Å; S309-A384 WeakPolarHBondContact O-CA 3.42Å; C376-A384 VanDerWaalsContact CA-O 3.31Å; C376-A384 WeakPolarHBondContact CA-O 3.02Å; C376-A384 VanDerWaalsContact CB-O 3.26Å; C376-A384 WeakPolarHBondContact CB-O 3.48Å; T377-A384 PolarHBondContact N-O 3.39Å; T377-A384 PolarHBondContact O-N 2.96Å; A384-Y475 HydrophobicContact CB-CE1 4.4Å; A384-Y475 VanDerWaalsContact CB-OH 3.27Å; A384-Y475 WeakPolarHBondContact CB-OH 3.4Å
385	A	95.5	Very high	93.3	Very high	3 Å²	3	17.8 Å²	17.8	3%	0.025	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	166.2	-178.5	0	0	0	0	0	111.3	H308 S309 C376 L383 Q389 L393	H308-A385 CarbonylContact C-O 3.56Å; H308-A385 WeakPolarHBondContact CA-O 3.46Å; H308-A385 WeakPolarHBondContact CB-O 3.45Å; S309-A385 PolarHBondContact N-O 3.06Å; S309-A385 PolarHBondContact O-N 3.2Å; C376-A385 HydrophobicContact CB-CB 4.23Å; L383-A385 HydrophobicContact CD2-CB 4.37Å; A385-Q389 HydrophobicContact CB-CB 4.01Å; A385-L393 HydrophobicContact CB-CD2 3.59Å
386	P	93.7	Very high	93.2	Very high	30 Å²	30	19 Å²	19	20%	0.195	10%	0.095	C	C	.	.			trans	-53.5	149	173.3	-26.9	36	0	0	0	112.5	S309 S388 Q389	S309-P386 PolarHBondContact OG-O 3.37Å; S309-P386 VanDerWaalsContact OG-O 3.08Å; P386-S388 PolarHBondContact O-N 2.69Å; P386-S388 VanDerWaalsContact O-N 3.13Å; P386-Q389 VanDerWaalsContact O-CB 3.3Å; P386-Q389 WeakPolarHBondContact O-CB 3.16Å; P386-Q389 PolarHBondContact O-N 3.37Å
387	S	93.1	Very high	93.2	Very high	16 Å²	16	19 Å²	19	11%	0.112	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-53.3	-37.7	-177.4	52.6	0	0	0	0	113.4	M238 A307 S309 Q389 Q390	M238-S387 WeakPolarHBondContact CG-O 3.39Å; A307-S387 WeakPolarHBondContact O-CA 3.37Å; A307-S387 WeakPolarHBondContact O-CB 3.45Å; S309-S387 PolarHBondContact OG-O 3.03Å; S387-Q389 PolarHBondContact O-N 3.49Å; S387-Q390 PolarHBondContact O-N 2.71Å
388	S	90.6	Very high	93	Very high	43 Å²	43	21.8 Å²	21.8	30%	0.301	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	-62.5	-9.4	178	60.2	0	0	0	0	114.9	M238 P386 R392	M238-S388 WeakPolarHBondContact CE-O 3.45Å; P386-S388 PolarHBondContact O-N 2.69Å; P386-S388 VanDerWaalsContact O-N 3.13Å; S388-R392 PolarHBondContact O-NH1 2.92Å
389	Q	92.5	Very high	92.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-95.8	-4.4	-179.9	-75.5	-77.1	14.1	0	0	114.2	V373 A385 P386 S387 T391 R392 L393 W517	V373-Q389 PolarHBondContact O-NE2 2.94Å; A385-Q389 HydrophobicContact CB-CB 4.01Å; P386-Q389 VanDerWaalsContact O-CB 3.3Å; P386-Q389 WeakPolarHBondContact O-CB 3.16Å; P386-Q389 PolarHBondContact O-N 3.37Å; S387-Q389 PolarHBondContact O-N 3.49Å; Q389-T391 PolarHBondContact O-N 2.97Å; Q389-R392 PolarHBondContact O-N 3.1Å; Q389-L393 HydrophobicContact CB-CB 4.15Å; Q389-L393 WeakPolarHBondContact O-CB 3.16Å; Q389-L393 PolarHBondContact O-N 3.13Å; Q389-W517 HydrophobicContact CG-CD2 4.32Å; Q389-W517 HydrophobicContact CG-CE3 3.86Å; Q389-W517 HydrophobicContact CG-CZ3 4.18Å; Q389-W517 VanDerWaalsContact NE2-CZ3 3.3Å
390	Q	93.5	Very high	92.5	Very high	11 Å²	11	29.6 Å²	29.6	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-52	-58	-168	-166.4	179.2	-11.7	0	0	112.5	V182 S309 F311 S387 F394 D411	V182-Q390 HydrophobicContact CG1-CB 4.22Å; V182-Q390 HydrophobicContact CG1-CG 4.35Å; S309-Q390 WeakPolarHBondContact OG-CA 3.41Å; S309-Q390 VanDerWaalsContact OG-CB 3.26Å; S309-Q390 WeakPolarHBondContact OG-CB 3.25Å; S309-Q390 PolarHBondContact OG-N 2.52Å; F311-Q390 VanDerWaalsContact CZ-O 3.23Å; F311-Q390 WeakPolarHBondContact CZ-O 3.17Å; S387-Q390 PolarHBondContact O-N 2.71Å; Q390-F394 WeakPolarHBondContact O-CB 3.33Å; Q390-F394 PolarHBondContact O-N 3.08Å; Q390-D411 WeakPolarHBondContact CG-OD2 3.45Å; Q390-D411 PolarHBondContact NE2-OD2 2.85Å
391	T	91.5	Very high	92.7	Very high	10 Å²	10	29.5 Å²	29.5	6%	0.061	15%	0.145	C	C	.	.	H	α-helix	trans	-73.5	-49.6	178.6	-57.7	0	0	0	0	111	F15 S179 F181 Q389 L393 F394 L395	F15-T391 HydrophobicContact CE1-CG2 4.39Å; F15-T391 HydrophobicContact CE2-CG2 4.3Å; F15-T391 HydrophobicContact CZ-CG2 3.6Å; S179-T391 VanDerWaalsContact O-CB 3.28Å; S179-T391 WeakPolarHBondContact O-CB 3.33Å; F181-T391 VanDerWaalsContact O-CB 3.3Å; F181-T391 WeakPolarHBondContact O-CB 3.35Å; F181-T391 PolarHBondContact O-OG1 2.89Å; Q389-T391 PolarHBondContact O-N 2.97Å; T391-L393 PolarHBondContact O-N 3.31Å; T391-F394 WeakPolarHBondContact O-CB 3.13Å; T391-F394 PolarHBondContact O-N 3.01Å; T391-L395 HydrophobicContact CG2-CD1 3.92Å; T391-L395 HydrophobicContact CG2-CG 4.2Å; T391-L395 VanDerWaalsContact O-CG 3.26Å; T391-L395 WeakPolarHBondContact O-CG 3.13Å; T391-L395 PolarHBondContact O-N 2.95Å
392	R	91	Very high	92.8	Very high	21 Å²	21	29.8 Å²	29.8	8%	0.079	15%	0.149	C	C	.	.	H	α-helix	trans	-53.8	-50.1	-176.6	177.7	178.2	-65.5	100.9	3	113.6	S174 E177 S179 S388 Q389 L395 W396	S174-R392 PolarHBondContact O-NH2 3.01Å; E177-R392 IonicContact OE2-CZ 3.87Å; E177-R392 VanDerWaalsContact OE2-CZ 3.29Å; E177-R392 IonicContact OE2-NE 3.95Å; E177-R392 PolarHBondContact OE2-NE 2.84Å; E177-R392 IonicContact OE2-NH2 3.1Å; E177-R392 PolarHBondContact OE2-NH2 3.07Å; S179-R392 PolarHBondContact O-N 3.19Å; S388-R392 PolarHBondContact O-NH1 2.92Å; Q389-R392 PolarHBondContact O-N 3.1Å; R392-L395 PolarHBondContact O-N 2.82Å; R392-W396 PolarHBondContact O-N 3.2Å
393	L	93.9	Very high	92.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.8	-37.9	-179.3	-177.6	50.5	0	0	0	111.5	F311 M365 A374 L383 A385 Q389 T391 L395 W396 L397	F311-L393 HydrophobicContact CD2-CD2 4.35Å; F311-L393 HydrophobicContact CD2-CG 4.44Å; F311-L393 HydrophobicContact CE2-CB 4.16Å; F311-L393 HydrophobicContact CE2-CD2 4.01Å; F311-L393 HydrophobicContact CE2-CG 4.03Å; M365-L393 HydrophobicContact CE-CD1 4.41Å; M365-L393 HydrophobicContact SD-CD1 3.69Å; A374-L393 HydrophobicContact CB-CD1 3.76Å; A374-L393 HydrophobicContact CB-CD2 4.1Å; A374-L393 HydrophobicContact CB-CG 4.46Å; L383-L393 HydrophobicContact CD2-CD2 3.36Å; L383-L393 HydrophobicContact CD2-CG 4.32Å; A385-L393 HydrophobicContact CB-CD2 3.59Å; Q389-L393 HydrophobicContact CB-CB 4.15Å; Q389-L393 WeakPolarHBondContact O-CB 3.16Å; Q389-L393 PolarHBondContact O-N 3.13Å; T391-L393 PolarHBondContact O-N 3.31Å; L393-L395 VanDerWaalsContact C-N 3.31Å; L393-L395 PolarHBondContact O-N 2.8Å; L393-W396 HydrophobicContact CD1-CB 4.5Å; L393-W396 PolarHBondContact O-N 2.97Å; L393-L397 HydrophobicContact CD1-CD1 4.35Å; L393-L397 HydrophobicContact CD1-CG 4.11Å; L393-L397 HydrophobicContact CG-CD1 4.17Å; L393-L397 HydrophobicContact CG-CG 4.43Å; L393-L397 WeakPolarHBondContact O-CB 3.03Å; L393-L397 VanDerWaalsContact O-CG 3.24Å; L393-L397 WeakPolarHBondContact O-CG 3.48Å; L393-L397 PolarHBondContact O-N 3.44Å
394	F	93.4	Very high	91.9	Very high	34 Å²	34	42 Å²	42	15%	0.149	23%	0.227	C	C	.	.	H	α-helix	trans	-56.4	-47.3	172.8	-179.2	-105.4	0	0	0	111.5	F12 F311 Q390 T391 L397 M398 V409 D411	F12-F394 HydrophobicContact CE1-CE1 4.1Å; F12-F394 HydrophobicContact CZ-CE1 4.06Å; F12-F394 HydrophobicContact CZ-CZ 4.38Å; F311-F394 HydrophobicContact CD1-CD2 4.01Å; F311-F394 HydrophobicContact CE1-CB 3.67Å; F311-F394 AromaticContact CE1-CD2 3.86Å; F311-F394 HydrophobicContact CE1-CD2 3.86Å; F311-F394 HydrophobicContact CE1-CG 4.2Å; F311-F394 HydrophobicContact CZ-CB 4.04Å; Q390-F394 WeakPolarHBondContact O-CB 3.33Å; Q390-F394 PolarHBondContact O-N 3.08Å; T391-F394 WeakPolarHBondContact O-CB 3.13Å; T391-F394 PolarHBondContact O-N 3.01Å; F394-L397 PolarHBondContact O-N 2.97Å; F394-M398 HydrophobicContact CD1-CG 4.29Å; F394-M398 HydrophobicContact CD2-CG 4.36Å; F394-M398 HydrophobicContact CE1-CG 3.88Å; F394-M398 HydrophobicContact CE2-CG 3.97Å; F394-M398 HydrophobicContact CE2-SD 4.23Å; F394-M398 HydrophobicContact CZ-CG 3.71Å; F394-M398 HydrophobicContact CZ-SD 4.1Å; F394-M398 WeakPolarHBondContact O-CB 3.18Å; F394-M398 VanDerWaalsContact O-CG 3.27Å; F394-M398 WeakPolarHBondContact O-CG 3.44Å; F394-M398 PolarHBondContact O-N 3.15Å; F394-V409 HydrophobicContact CD2-CG1 4Å; F394-V409 HydrophobicContact CE2-CB 4.35Å; F394-V409 HydrophobicContact CE2-CG1 4.09Å; F394-D411 HydrophobicContact CD2-CB 4.48Å
395	L	90.4	Very high	91.5	Very high	38 Å²	38	44 Å²	44	20%	0.199	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-43.6	177.5	-60.9	173.7	0	0	0	112.3	P134 T391 R392 L393 L397 M398 Q399	P134-L395 HydrophobicContact CB-CD1 4.44Å; P134-L395 HydrophobicContact CB-CD2 3.33Å; P134-L395 HydrophobicContact CB-CG 4.48Å; P134-L395 HydrophobicContact CG-CD1 3.59Å; P134-L395 HydrophobicContact CG-CD2 3.42Å; P134-L395 VanDerWaalsContact CG-CD2 3.42Å; P134-L395 HydrophobicContact CG-CG 4.09Å; T391-L395 HydrophobicContact CG2-CD1 3.92Å; T391-L395 HydrophobicContact CG2-CG 4.2Å; T391-L395 VanDerWaalsContact O-CG 3.26Å; T391-L395 WeakPolarHBondContact O-CG 3.13Å; T391-L395 PolarHBondContact O-N 2.95Å; R392-L395 PolarHBondContact O-N 2.82Å; L393-L395 VanDerWaalsContact C-N 3.31Å; L393-L395 PolarHBondContact O-N 2.8Å; L395-L397 VanDerWaalsContact C-N 3.31Å; L395-L397 PolarHBondContact O-N 3.35Å; L395-M398 PolarHBondContact O-N 2.82Å; L395-Q399 VanDerWaalsContact O-CB 3.23Å; L395-Q399 WeakPolarHBondContact O-CB 3.45Å; L395-Q399 PolarHBondContact O-N 3.17Å
396	W	92.3	Very high	91.2	Very high	38 Å²	38	46.7 Å²	46.7	14%	0.144	25%	0.252	C	S	.	.	H	α-helix	trans	-58.3	-46	177	-179.9	-95.5	0	0	0	111.4	Q366 V373 R392 L393 H400 I543	Q366-W396 WeakPolarHBondContact O-CZ2 3.24Å; V373-W396 HydrophobicContact CB-CD2 4.28Å; V373-W396 HydrophobicContact CB-CE3 4.4Å; V373-W396 HydrophobicContact CG1-CB 4.15Å; V373-W396 HydrophobicContact CG1-CD2 3.58Å; V373-W396 HydrophobicContact CG1-CE3 3.7Å; V373-W396 HydrophobicContact CG1-CG 3.77Å; V373-W396 HydrophobicContact CG1-CZ3 4.32Å; V373-W396 HydrophobicContact CG2-CD2 4.27Å; V373-W396 HydrophobicContact CG2-CE3 4.02Å; V373-W396 HydrophobicContact CG2-CH2 3.77Å; V373-W396 HydrophobicContact CG2-CZ2 4.01Å; V373-W396 HydrophobicContact CG2-CZ3 3.76Å; R392-W396 PolarHBondContact O-N 3.2Å; L393-W396 HydrophobicContact CD1-CB 4.5Å; L393-W396 PolarHBondContact O-N 2.97Å; W396-H400 AromaticContact CD2-CE1 3.53Å; W396-H400 AromaticContact CD2-ND1 3.72Å; W396-H400 AromaticContact CE2-CE1 3.53Å; W396-H400 AromaticContact CE2-ND1 3.75Å; W396-H400 AromaticContact CE3-CE1 3.49Å; W396-H400 VanDerWaalsContact CE3-CE1 3.49Å; W396-H400 AromaticContact CH2-CE1 3.48Å; W396-H400 VanDerWaalsContact CH2-CE1 3.48Å; W396-H400 WeakPolarHBondContact CH2-CE1 3.46Å; W396-H400 AromaticContact CH2-NE2 3.79Å; W396-H400 AromaticContact CZ2-CE1 3.52Å; W396-H400 AromaticContact CZ2-NE2 3.86Å; W396-H400 AromaticContact CZ3-CE1 3.47Å; W396-H400 VanDerWaalsContact CZ3-CE1 3.47Å; W396-H400 WeakPolarHBondContact CZ3-CE1 3.21Å; W396-H400 PolarHBondContact O-N 2.87Å; W396-H400 PolarHBondContact O-ND1 3.42Å; W396-I543 HydrophobicContact CH2-CG2 4.33Å; W396-I543 HydrophobicContact CZ2-CD1 3.95Å; W396-I543 HydrophobicContact CZ2-CG2 4.25Å
397	L	94.4	Very high	91.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-54.7	176.5	-68.7	167.8	0	0	0	110.1	F311 I313 Y344 L348 M365 L393 F394 L395 Q399 H400 V409	F311-L397 HydrophobicContact CB-CD1 4.28Å; F311-L397 HydrophobicContact CD2-CD1 4.18Å; F311-L397 HydrophobicContact CG-CD1 4.07Å; I313-L397 HydrophobicContact CD1-CD1 4.45Å; I313-L397 HydrophobicContact CD1-CD2 4.18Å; Y344-L397 HydrophobicContact CE1-CD2 4.29Å; Y344-L397 WeakPolarHBondContact OH-CA 3.35Å; Y344-L397 WeakPolarHBondContact OH-CB 3.49Å; Y344-L397 PolarHBondContact OH-O 3.2Å; L348-L397 HydrophobicContact CD2-CD2 3.77Å; M365-L397 HydrophobicContact CE-CD2 3.96Å; M365-L397 HydrophobicContact SD-CD2 4.46Å; L393-L397 HydrophobicContact CD1-CD1 4.35Å; L393-L397 HydrophobicContact CD1-CG 4.11Å; L393-L397 HydrophobicContact CG-CD1 4.17Å; L393-L397 HydrophobicContact CG-CG 4.43Å; L393-L397 WeakPolarHBondContact O-CB 3.03Å; L393-L397 VanDerWaalsContact O-CG 3.24Å; L393-L397 WeakPolarHBondContact O-CG 3.48Å; L393-L397 PolarHBondContact O-N 3.44Å; F394-L397 PolarHBondContact O-N 2.97Å; L395-L397 VanDerWaalsContact C-N 3.31Å; L395-L397 PolarHBondContact O-N 3.35Å; L397-Q399 VanDerWaalsContact C-N 3.35Å; L397-Q399 PolarHBondContact O-N 3.35Å; L397-H400 PolarHBondContact O-N 2.9Å; L397-V409 HydrophobicContact CB-CG1 4.13Å; L397-V409 HydrophobicContact CB-CG2 4.01Å; L397-V409 HydrophobicContact CD1-CG1 3.74Å
398	M	91	Very high	91	Very high	66 Å²	66	46.4 Å²	46.4	33%	0.325	25%	0.248	S	C	.	.	H	α-helix	trans	-60.2	-40.9	-177	-69.4	-61.7	-65.5	0	0	113.2	F394 L395 H400 I401 V409	F394-M398 HydrophobicContact CD1-CG 4.29Å; F394-M398 HydrophobicContact CD2-CG 4.36Å; F394-M398 HydrophobicContact CE1-CG 3.88Å; F394-M398 HydrophobicContact CE2-CG 3.97Å; F394-M398 HydrophobicContact CE2-SD 4.23Å; F394-M398 HydrophobicContact CZ-CG 3.71Å; F394-M398 HydrophobicContact CZ-SD 4.1Å; F394-M398 WeakPolarHBondContact O-CB 3.18Å; F394-M398 VanDerWaalsContact O-CG 3.27Å; F394-M398 WeakPolarHBondContact O-CG 3.44Å; F394-M398 PolarHBondContact O-N 3.15Å; L395-M398 PolarHBondContact O-N 2.82Å; M398-H400 PolarHBondContact O-N 3.17Å; M398-I401 HydrophobicContact CE-CD1 4.42Å; M398-I401 PolarHBondContact O-N 2.98Å; M398-I401 HydrophobicContact SD-CD1 3.88Å; M398-V409 HydrophobicContact SD-CB 3.82Å; M398-V409 HydrophobicContact SD-CG2 4.15Å
399	Q	88.2	Confident	91.1	Very high	149 Å²	149	44.9 Å²	44.9	70%	0.696	24%	0.237	S	C	*	.	H	α-helix	trans	-65.7	-26.3	-178.7	-179.1	178.7	-10.8	0	0	113	L395 L397	L395-Q399 VanDerWaalsContact O-CB 3.23Å; L395-Q399 WeakPolarHBondContact O-CB 3.45Å; L395-Q399 PolarHBondContact O-N 3.17Å; L397-Q399 VanDerWaalsContact C-N 3.35Å; L397-Q399 PolarHBondContact O-N 3.35Å
400	H	92.4	Very high	91.2	Very high	32 Å²	32	48.8 Å²	48.8	15%	0.148	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	8.1	-177.4	-68.5	87.5	0	0	0	113.5	R347 L348 W396 L397 M398 E402 I543	R347-H400 PolarHBondContact NH1-O 3.37Å; R347-H400 PolarHBondContact NH2-O 3.46Å; L348-H400 HydrophobicContact CD1-CB 3.98Å; L348-H400 HydrophobicContact CD2-CB 4.16Å; L348-H400 HydrophobicContact CG-CB 4.24Å; W396-H400 AromaticContact CD2-CE1 3.53Å; W396-H400 AromaticContact CD2-ND1 3.72Å; W396-H400 AromaticContact CE2-CE1 3.53Å; W396-H400 AromaticContact CE2-ND1 3.75Å; W396-H400 AromaticContact CE3-CE1 3.49Å; W396-H400 VanDerWaalsContact CE3-CE1 3.49Å; W396-H400 AromaticContact CH2-CE1 3.48Å; W396-H400 VanDerWaalsContact CH2-CE1 3.48Å; W396-H400 WeakPolarHBondContact CH2-CE1 3.46Å; W396-H400 AromaticContact CH2-NE2 3.79Å; W396-H400 AromaticContact CZ2-CE1 3.52Å; W396-H400 AromaticContact CZ2-NE2 3.86Å; W396-H400 AromaticContact CZ3-CE1 3.47Å; W396-H400 VanDerWaalsContact CZ3-CE1 3.47Å; W396-H400 WeakPolarHBondContact CZ3-CE1 3.21Å; W396-H400 PolarHBondContact O-N 2.87Å; W396-H400 PolarHBondContact O-ND1 3.42Å; L397-H400 PolarHBondContact O-N 2.9Å; M398-H400 PolarHBondContact O-N 3.17Å; H400-E402 PolarHBondContact O-N 3.06Å; H400-I543 WeakPolarHBondContact CD2-CD1 3.17Å
401	I	92.1	Very high	91.2	Very high	35 Å²	35	51.4 Å²	51.4	18%	0.179	27%	0.27	C	S	.	.			trans	-74.6	116.1	167.8	-59.8	172	0	0	0	107.4	Y344 M398 E405 I407 V409	Y344-I401 HydrophobicContact CE2-CG1 3.84Å; M398-I401 HydrophobicContact CE-CD1 4.42Å; M398-I401 PolarHBondContact O-N 2.98Å; M398-I401 HydrophobicContact SD-CD1 3.88Å; I401-E405 WeakPolarHBondContact CA-OE2 3.23Å; I401-E405 HydrophobicContact CG2-CB 4.01Å; I401-I407 HydrophobicContact CD1-CB 4.43Å; I401-I407 HydrophobicContact CD1-CG2 4.17Å; I401-I407 HydrophobicContact CG1-CB 4.39Å; I401-I407 HydrophobicContact CG1-CG2 4.27Å; I401-I407 HydrophobicContact CG2-CB 4.22Å; I401-V409 HydrophobicContact CD1-CG2 4.09Å
402	E	91.4	Very high	91.4	Very high	91 Å²	91	51.6 Å²	51.6	43%	0.425	27%	0.271	S	S	.	.			trans	-71.4	151.3	177.4	-63.6	-61.5	156.2	0	0	110.6	R347 H400 T404 E405	R347-E402 IonicContact NH1-OE1 3.95Å; R347-E402 PolarHBondContact NH1-OE1 3.4Å; H400-E402 PolarHBondContact O-N 3.06Å; E402-T404 PolarHBondContact O-N 3.12Å; E402-E405 HydrophobicContact CB-CB 4.44Å; E402-E405 HydrophobicContact CB-CG 3.97Å; E402-E405 PolarHBondContact N-OE2 2.84Å; E402-E405 WeakPolarHBondContact O-CB 3.29Å; E402-E405 PolarHBondContact O-N 2.96Å
403	P	86.1	Confident	91.6	Very high	131 Å²	131	50.6 Å²	50.6	85%	0.851	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.9	-179.6	-26.7	35.1	0	0	0	115.1
404	T	87.3	Confident	91.7	Very high	131 Å²	131	54 Å²	54	80%	0.804	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-11.7	177.8	53	0	0	0	0	113.3	E402	E402-T404 PolarHBondContact O-N 3.12Å
405	E	88	Confident	91.7	Very high	46 Å²	46	57.2 Å²	57.2	22%	0.215	31%	0.305	C	S	.	.			trans	-83.9	124	-179.6	-74.8	175.2	159.1	0	0	110.2	Y344 R347 I401 E402 I407	Y344-E405 WeakPolarHBondContact CD2-OE2 3.07Å; R347-E405 IonicContact CZ-OE1 2.88Å; R347-E405 IonicContact NE-OE1 2.65Å; R347-E405 IonicContact NH2-OE1 3.52Å; R347-E405 PolarHBondContact NH2-OE1 2.62Å; R347-E405 IonicContact NH2-OE2 3.62Å; R347-E405 PolarHBondContact NH2-OE2 2.78Å; I401-E405 WeakPolarHBondContact CA-OE2 3.23Å; I401-E405 HydrophobicContact CG2-CB 4.01Å; E402-E405 HydrophobicContact CB-CB 4.44Å; E402-E405 HydrophobicContact CB-CG 3.97Å; E402-E405 PolarHBondContact N-OE2 2.84Å; E402-E405 WeakPolarHBondContact O-CB 3.29Å; E402-E405 PolarHBondContact O-N 2.96Å; E405-I407 HydrophobicContact CB-CG1 4.01Å; E405-I407 PolarHBondContact O-N 2.94Å; E405-I407 VanDerWaalsContact O-N 3.12Å
406	V	89.4	Confident	92	Very high	58 Å²	58	56.4 Å²	56.4	35%	0.352	30%	0.299	S	S	.	.			trans	-86.2	56.5	171.2	-73.3	0	0	0	0	110	V315 F316 K340	V315-V406 CarbonylContact C-O 3.42Å; V315-V406 WeakPolarHBondContact CA-O 3.33Å; V315-V406 HydrophobicContact CG1-CB 4.24Å; V315-V406 HydrophobicContact CG1-CG2 3.72Å; V315-V406 WeakPolarHBondContact CG1-O 3.46Å; F316-V406 HydrophobicContact CB-CB 4.42Å; F316-V406 PolarHBondContact N-O 3.11Å; K340-V406 HydrophobicContact CD-CG2 3.84Å
407	I	90.9	Very high	92.3	Very high	13 Å²	13	54.6 Å²	54.6	7%	0.067	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.5	-178.4	-62.5	-67.6	0	0	0	109.9	I313 M314 V315 K340 V341 Y344 I401 E405 V409	I313-I407 HydrophobicContact CG2-CG2 3.97Å; M314-I407 WeakPolarHBondContact O-CA 3.4Å; V315-I407 HydrophobicContact CG2-CD1 4.23Å; K340-I407 HydrophobicContact CB-CD1 4.37Å; V341-I407 HydrophobicContact CB-CD1 4.43Å; V341-I407 HydrophobicContact CG2-CD1 3.79Å; Y344-I407 HydrophobicContact CD1-CG2 4.12Å; Y344-I407 HydrophobicContact CE1-CG2 4.2Å; Y344-I407 HydrophobicContact CG-CG1 4.26Å; Y344-I407 HydrophobicContact CG-CG2 4.37Å; I401-I407 HydrophobicContact CD1-CB 4.43Å; I401-I407 HydrophobicContact CD1-CG2 4.17Å; I401-I407 HydrophobicContact CG1-CB 4.39Å; I401-I407 HydrophobicContact CG1-CG2 4.27Å; I401-I407 HydrophobicContact CG2-CB 4.22Å; E405-I407 HydrophobicContact CB-CG1 4.01Å; E405-I407 PolarHBondContact O-N 2.94Å; E405-I407 VanDerWaalsContact O-N 3.12Å; I407-V409 HydrophobicContact CG2-CG2 4.48Å
408	T	91.2	Very high	92.4	Very high	28 Å²	28	54.6 Å²	54.6	17%	0.172	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.2	165.9	65.3	0	0	0	0	110.9	I313 M314 F316 H410	I313-T408 WeakPolarHBondContact CA-O 3.4Å; M314-T408 PolarHBondContact N-O 2.99Å; M314-T408 PolarHBondContact O-N 3.04Å; F316-T408 HydrophobicContact CB-CG2 3.68Å; F316-T408 HydrophobicContact CD2-CG2 3.75Å; F316-T408 HydrophobicContact CG-CG2 4.15Å; T408-H410 PolarHBondContact OG1-NE2 3.18Å
409	V	92.3	Very high	92.7	Very high	10 Å²	10	51.5 Å²	51.5	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.2	176.7	-178.4	0	0	0	0	107.2	F311 I313 F394 L397 M398 I401 I407	F311-V409 HydrophobicContact CB-CG1 4.19Å; F311-V409 HydrophobicContact CD1-CG1 4.21Å; F311-V409 HydrophobicContact CG-CG1 4.45Å; I313-V409 HydrophobicContact CG1-CG1 4.46Å; I313-V409 HydrophobicContact CG1-CG2 4.43Å; F394-V409 HydrophobicContact CD2-CG1 4Å; F394-V409 HydrophobicContact CE2-CB 4.35Å; F394-V409 HydrophobicContact CE2-CG1 4.09Å; L397-V409 HydrophobicContact CB-CG1 4.13Å; L397-V409 HydrophobicContact CB-CG2 4.01Å; L397-V409 HydrophobicContact CD1-CG1 3.74Å; M398-V409 HydrophobicContact SD-CB 3.82Å; M398-V409 HydrophobicContact SD-CG2 4.15Å; I401-V409 HydrophobicContact CD1-CG2 4.09Å; I407-V409 HydrophobicContact CG2-CG2 4.48Å
410	H	94.3	Very high	93.2	Very high	83 Å²	83	44.4 Å²	44.4	38%	0.384	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.7	179.3	-63.1	-85.6	0	0	0	109.5	F311 E312 T408 V412	F311-H410 CarbonylContact C-O 3.51Å; F311-H410 VanDerWaalsContact CA-O 3.23Å; F311-H410 WeakPolarHBondContact CA-O 3.38Å; E312-H410 PolarHBondContact N-O 3.17Å; E312-H410 PolarHBondContact O-N 2.78Å; T408-H410 PolarHBondContact OG1-NE2 3.18Å; H410-V412 HydrophobicContact CB-CG1 4.16Å; H410-V412 PolarHBondContact O-N 3.13Å; H410-V412 VanDerWaalsContact O-N 3.15Å
411	D	93.6	Very high	93.4	Very high	66 Å²	66	42.9 Å²	42.9	35%	0.353	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	106	167	-174.8	-13.4	0	0	0	109.4	F311 Q390 F394 T413	F311-D411 HydrophobicContact CD1-CB 4.07Å; F311-D411 HydrophobicContact CE1-CB 3.86Å; Q390-D411 WeakPolarHBondContact CG-OD2 3.45Å; Q390-D411 PolarHBondContact NE2-OD2 2.85Å; F394-D411 HydrophobicContact CD2-CB 4.48Å; D411-T413 WeakPolarHBondContact OD1-CB 3.1Å; D411-T413 PolarHBondContact OD1-N 3.44Å; D411-T413 PolarHBondContact OD1-OG1 2.79Å
412	V	95.9	Very high	93.6	Very high	13 Å²	13	41.2 Å²	41.2	8%	0.079	23%	0.228	C	C	.	.			trans	-107.9	19.6	179	-61.5	0	0	0	0	111.5	K310 E312 L382 H410 S414 K415 Y416	K310-V412 HydrophobicContact CB-CG2 3.83Å; K310-V412 PolarHBondContact O-N 3.31Å; E312-V412 HydrophobicContact CB-CG1 4.09Å; E312-V412 HydrophobicContact CB-CG2 4.34Å; E312-V412 HydrophobicContact CG-CG1 4.15Å; E312-V412 HydrophobicContact CG-CG2 3.86Å; L382-V412 HydrophobicContact CD1-CG2 4.19Å; H410-V412 HydrophobicContact CB-CG1 4.16Å; H410-V412 PolarHBondContact O-N 3.13Å; H410-V412 VanDerWaalsContact O-N 3.15Å; V412-S414 PolarHBondContact O-N 3.46Å; V412-K415 HydrophobicContact CB-CB 3.99Å; V412-K415 HydrophobicContact CB-CD 4.1Å; V412-K415 HydrophobicContact CG1-CD 4.09Å; V412-K415 VanDerWaalsContact O-CB 3.31Å; V412-K415 WeakPolarHBondContact O-CB 3.34Å; V412-K415 PolarHBondContact O-N 3.12Å; V412-Y416 HydrophobicContact CB-CE2 4.37Å; V412-Y416 HydrophobicContact CG2-CD2 4.28Å; V412-Y416 HydrophobicContact CG2-CE2 4.11Å
413	T	95.7	Very high	93.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-51.4	-44.9	-178.7	-60.5	0	0	0	0	111.6	F240 S309 K310 D411	F240-T413 HydrophobicContact CE2-CG2 3.86Å; F240-T413 HydrophobicContact CZ-CG2 4.27Å; S309-T413 WeakPolarHBondContact CA-OG1 3.16Å; K310-T413 PolarHBondContact N-OG1 2.9Å; K310-T413 PolarHBondContact O-N 3.08Å; D411-T413 WeakPolarHBondContact OD1-CB 3.1Å; D411-T413 PolarHBondContact OD1-N 3.44Å; D411-T413 PolarHBondContact OD1-OG1 2.79Å
414	S	94.4	Very high	93.9	Very high	71 Å²	71	30.9 Å²	30.9	50%	0.497	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-84.5	-5.5	-178.3	-54.1	0	0	0	0	114.3	V412 N478	V412-S414 PolarHBondContact O-N 3.46Å; S414-N478 PolarHBondContact O-ND2 2.82Å
415	K	95	Very high	94.2	Very high	103 Å²	103	24.7 Å²	24.7	45%	0.448	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-77.4	-28	-179.3	-174.2	179.1	174	-172.9	0	112.3	E312 V412	E312-K415 IonicContact OE1-NZ 2.61Å; E312-K415 IonicContact OE2-NZ 3.06Å; E312-K415 PolarHBondContact OE2-NZ 2.92Å; E312-K415 VanDerWaalsContact OE2-NZ 3.1Å; V412-K415 HydrophobicContact CB-CB 3.99Å; V412-K415 HydrophobicContact CB-CD 4.1Å; V412-K415 HydrophobicContact CG1-CD 4.09Å; V412-K415 VanDerWaalsContact O-CB 3.31Å; V412-K415 WeakPolarHBondContact O-CB 3.34Å; V412-K415 PolarHBondContact O-N 3.12Å
416	Y	96.1	Very high	94.5	Very high	20 Å²	20	22.6 Å²	22.6	8%	0.078	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.7	-172.9	-64.1	-74.2	0	0	0	111.8	K310 E312 V412 I476 P477	K310-Y416 HydrophobicContact CD-CD2 4.21Å; E312-Y416 PolarHBondContact OE1-OH 3.48Å; V412-Y416 HydrophobicContact CB-CE2 4.37Å; V412-Y416 HydrophobicContact CG2-CD2 4.28Å; V412-Y416 HydrophobicContact CG2-CE2 4.11Å; Y416-I476 CarbonylContact C-O 3.53Å; Y416-I476 VanDerWaalsContact CA-O 3.32Å; Y416-I476 WeakPolarHBondContact CA-O 3.24Å; Y416-P477 HydrophobicContact CE1-CG 4.3Å
417	T	97.7	Very high	94.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134.7	154.4	-59.4	0	0	0	0	107.3	P222 L223 S306 L419 I476 N478 A481	P222-T417 WeakPolarHBondContact CD-OG1 3.38Å; P222-T417 WeakPolarHBondContact CG-OG1 3.28Å; L223-T417 HydrophobicContact CD1-CG2 3.87Å; L223-T417 HydrophobicContact CG-CG2 4.25Å; S306-T417 WeakPolarHBondContact OG-CA 3.23Å; T417-L419 HydrophobicContact CG2-CG 4.49Å; T417-I476 PolarHBondContact N-O 2.78Å; T417-I476 PolarHBondContact O-N 2.77Å; T417-N478 PolarHBondContact N-OD1 2.88Å; T417-N478 PolarHBondContact OG1-OD1 2.98Å; T417-A481 HydrophobicContact CG2-CB 3.95Å; T417-A481 VanDerWaalsContact OG1-CB 3.27Å; T417-A481 WeakPolarHBondContact OG1-CB 3.43Å
418	T	97.5	Very high	94.8	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	114.5	-178.1	-53.3	0	0	0	0	110.7	I305 S306 K310 T473 L474 Y475	I305-T418 HydrophobicContact CD1-CG2 3.75Å; I305-T418 HydrophobicContact CG1-CG2 3.66Å; I305-T418 WeakPolarHBondContact CG1-O 3.48Å; I305-T418 PolarHBondContact N-O 2.54Å; S306-T418 PolarHBondContact N-O 2.92Å; S306-T418 PolarHBondContact OG-N 3.41Å; K310-T418 WeakPolarHBondContact CE-OG1 3.32Å; T418-T473 HydrophobicContact CG2-CG2 3.49Å; T418-T473 VanDerWaalsContact CG2-CG2 3.49Å; T418-L474 VanDerWaalsContact CA-O 3.27Å; T418-L474 WeakPolarHBondContact CA-O 3.38Å; T418-Y475 HydrophobicContact CG2-CD1 3.97Å; T418-Y475 HydrophobicContact CG2-CE1 3.95Å; T418-Y475 HydrophobicContact CG2-CG 4.5Å
419	L	97.5	Very high	95	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.9	178.3	-65.3	-175.4	0	0	0	109.9	L223 I302 M303 D304 T417 L474 I476 F485 L488	L223-L419 HydrophobicContact CD1-CD1 4Å; L223-L419 HydrophobicContact CD1-CD2 3.76Å; L223-L419 HydrophobicContact CD1-CG 4.24Å; I302-L419 HydrophobicContact CG2-CD1 4.19Å; I302-L419 HydrophobicContact CG2-CD2 4.24Å; M303-L419 CarbonylContact O-C 3.53Å; M303-L419 VanDerWaalsContact O-CA 3.31Å; M303-L419 WeakPolarHBondContact O-CA 3.19Å; D304-L419 HydrophobicContact CB-CD2 4.15Å; T417-L419 HydrophobicContact CG2-CG 4.49Å; L419-L474 PolarHBondContact N-O 2.81Å; L419-L474 VanDerWaalsContact N-O 3.07Å; L419-L474 PolarHBondContact O-N 3.25Å; L419-I476 HydrophobicContact CB-CD1 4.2Å; L419-I476 HydrophobicContact CD1-CD1 3.73Å; L419-I476 HydrophobicContact CG-CD1 3.83Å; L419-F485 HydrophobicContact CD1-CB 4.49Å; L419-F485 HydrophobicContact CD1-CD2 4.3Å; L419-L488 HydrophobicContact CD1-CD1 4.01Å
420	N	97.3	Very high	95.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.4	158.9	-71.6	-27.1	0	0	0	109.1	I302 M303 I305 L422 W472 T473	I302-N420 WeakPolarHBondContact CA-O 3.43Å; M303-N420 HydrophobicContact CB-CB 4.25Å; M303-N420 PolarHBondContact N-O 3.5Å; M303-N420 PolarHBondContact O-N 2.78Å; I305-N420 WeakPolarHBondContact CD1-ND2 2.98Å; I305-N420 WeakPolarHBondContact CD1-OD1 3.32Å; N420-L422 HydrophobicContact CB-CD1 4.2Å; N420-L422 HydrophobicContact CB-CD2 3.73Å; N420-L422 HydrophobicContact CB-CG 3.79Å; N420-W472 CarbonylContact C-O 3.6Å; N420-W472 VanDerWaalsContact CA-O 3.27Å; N420-W472 WeakPolarHBondContact CA-O 3.44Å; N420-T473 WeakPolarHBondContact OD1-CB 3.42Å; N420-T473 PolarHBondContact OD1-OG1 2.85Å
421	V	97.4	Very high	95.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	105	166.9	-171.4	0	0	0	0	106.4	V300 I302 S426 L429 L430 G471 W472 L474 L488	V300-V421 HydrophobicContact CG2-CG1 3.72Å; I302-V421 HydrophobicContact CD1-CB 4.07Å; I302-V421 HydrophobicContact CD1-CG1 3.68Å; I302-V421 HydrophobicContact CD1-CG2 3.83Å; V421-S426 WeakPolarHBondContact O-CB 2.95Å; V421-L429 HydrophobicContact CG1-CD2 4.43Å; V421-L430 HydrophobicContact CB-CD1 4.02Å; V421-L430 HydrophobicContact CG1-CD1 4.14Å; V421-L430 HydrophobicContact CG1-CG 4.25Å; V421-L430 HydrophobicContact CG2-CD1 4.19Å; V421-L430 HydrophobicContact CG2-CD2 4.26Å; V421-L430 HydrophobicContact CG2-CG 4.5Å; V421-G471 CarbonylContact O-C 3.58Å; V421-G471 WeakPolarHBondContact O-CA 3.25Å; V421-W472 PolarHBondContact N-O 3.47Å; V421-W472 PolarHBondContact O-N 2.87Å; V421-L474 HydrophobicContact CG2-CD1 3.97Å; V421-L474 HydrophobicContact CG2-CG 4.42Å; V421-L488 HydrophobicContact CG2-CD1 4.26Å; V421-L488 HydrophobicContact CG2-CD2 4.23Å
422	L	95.7	Very high	95.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.8	-166.7	-58.6	174.3	0	0	0	111	V300 A301 M303 N420 L470	V300-L422 CarbonylContact C-O 3.6Å; V300-L422 WeakPolarHBondContact CA-O 3.26Å; A301-L422 PolarHBondContact N-O 3.27Å; A301-L422 PolarHBondContact O-N 2.88Å; M303-L422 HydrophobicContact CB-CD1 4.36Å; N420-L422 HydrophobicContact CB-CD1 4.2Å; N420-L422 HydrophobicContact CB-CD2 3.73Å; N420-L422 HydrophobicContact CB-CG 3.79Å; L422-L470 CarbonylContact C-O 3.47Å
423	G	93.7	Very high	95.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	109.7	166.6	171.4	0	0	0	0	0	114.9	C296 R299 T425 S426 L470	C296-G423 WeakPolarHBondContact O-CA 3.33Å; R299-G423 CarbonylContact O-C 3.26Å; R299-G423 VanDerWaalsContact O-CA 3.3Å; R299-G423 WeakPolarHBondContact O-CA 3.44Å; G423-T425 VanDerWaalsContact C-N 3.25Å; G423-T425 PolarHBondContact O-N 3.07Å; G423-S426 WeakPolarHBondContact O-CB 3.33Å; G423-S426 PolarHBondContact O-N 2.97Å; G423-S426 PolarHBondContact O-OG 2.85Å; G423-L470 PolarHBondContact N-O 2.81Å
424	P	91.2	Very high	95.4	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.039	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.7	-173.9	22.5	-35.7	0	0	0	114.2	R297 E298 R299 V653 S655	R297-P424 VanDerWaalsContact O-CD 3.27Å; R297-P424 WeakPolarHBondContact O-CD 3.27Å; E298-P424 VanDerWaalsContact C-CG 3.42Å; E298-P424 WeakPolarHBondContact O-CG 3.43Å; R299-P424 WeakPolarHBondContact O-CD 3.31Å; R299-P424 VanDerWaalsContact O-N 3.15Å; P424-V653 HydrophobicContact CB-CB 3.85Å; P424-V653 HydrophobicContact CB-CG1 3.73Å; P424-V653 HydrophobicContact CG-CB 4.02Å; P424-V653 HydrophobicContact CG-CG1 4.08Å; P424-S655 WeakPolarHBondContact O-CA 3.29Å; P424-S655 WeakPolarHBondContact O-CB 3.37Å
425	T	93	Very high	95.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	2.1	179.4	60.1	0	0	0	0	113.3	R299 V300 G423 R427 L428 L429 Y495 Y661	R299-T425 PolarHBondContact O-N 2.69Å; R299-T425 VanDerWaalsContact O-N 3.13Å; R299-T425 PolarHBondContact O-OG1 3.46Å; V300-T425 WeakPolarHBondContact CB-OG1 3.42Å; V300-T425 PolarHBondContact N-OG1 2.7Å; G423-T425 VanDerWaalsContact C-N 3.25Å; G423-T425 PolarHBondContact O-N 3.07Å; T425-R427 VanDerWaalsContact C-N 3.27Å; T425-R427 PolarHBondContact O-N 3.29Å; T425-L428 PolarHBondContact O-N 2.88Å; T425-L428 VanDerWaalsContact O-N 3.13Å; T425-L429 PolarHBondContact O-N 2.78Å; T425-L429 VanDerWaalsContact O-N 3.08Å; T425-Y495 HydrophobicContact CG2-CD1 4.25Å; T425-Y661 HydrophobicContact CG2-CD1 4.4Å; T425-Y661 HydrophobicContact CG2-CD2 4.37Å; T425-Y661 HydrophobicContact CG2-CE1 4.4Å; T425-Y661 HydrophobicContact CG2-CE2 4.39Å; T425-Y661 HydrophobicContact CG2-CG 4.37Å
426	S	94.3	Very high	95.3	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-56.5	-39.5	-179.8	75.4	0	0	0	0	112.9	V421 G423 L430	V421-S426 WeakPolarHBondContact O-CB 2.95Å; G423-S426 WeakPolarHBondContact O-CB 3.33Å; G423-S426 PolarHBondContact O-N 2.97Å; G423-S426 PolarHBondContact O-OG 2.85Å; S426-L430 WeakPolarHBondContact O-CB 3.32Å; S426-L430 WeakPolarHBondContact O-CG 3.08Å; S426-L430 PolarHBondContact O-N 3.29Å
427	R	93.6	Very high	95.2	Very high	27 Å²	27	27.5 Å²	27.5	10%	0.102	14%	0.142	C	C	.	.	H	α-helix	trans	-67.3	-44	179.2	-176.7	-176.7	-67.5	117	5	111.2	T425 L430 Q431 L438 S440 S655	T425-R427 VanDerWaalsContact C-N 3.27Å; T425-R427 PolarHBondContact O-N 3.29Å; R427-L430 PolarHBondContact O-N 3.39Å; R427-Q431 VanDerWaalsContact O-CB 3.24Å; R427-Q431 WeakPolarHBondContact O-CB 3.43Å; R427-Q431 PolarHBondContact O-N 2.8Å; R427-L438 VanDerWaalsContact CD-O 3.22Å; R427-L438 WeakPolarHBondContact CD-O 3.27Å; R427-L438 HydrophobicContact CG-CB 3.96Å; R427-L438 PolarHBondContact NE-O 2.88Å; R427-S440 PolarHBondContact NH2-OG 2.67Å; R427-S655 PolarHBondContact NH1-OG 2.82Å
428	L	93.8	Very high	95	Very high	60 Å²	60	27.5 Å²	27.5	31%	0.314	14%	0.142	S	C	.	.	H	α-helix	trans	-62.4	-48.1	-178.9	-62	176.3	0	0	0	110.4	T425 L430 Q431 E432 Y495 P658	T425-L428 PolarHBondContact O-N 2.88Å; T425-L428 VanDerWaalsContact O-N 3.13Å; L428-L430 PolarHBondContact O-N 3.41Å; L428-Q431 PolarHBondContact O-N 2.76Å; L428-E432 PolarHBondContact O-N 2.77Å; L428-Y495 HydrophobicContact CB-CD1 4.5Å; L428-Y495 HydrophobicContact CB-CE1 3.61Å; L428-Y495 HydrophobicContact CD1-CE1 4.06Å; L428-P658 HydrophobicContact CD1-CG 4.39Å
429	L	95.5	Very high	94.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.5	-48.9	175.2	173.5	57	0	0	0	111.9	V300 V421 T425 Q431 E432 L488 L491 Y495	V300-L429 HydrophobicContact CG1-CD2 4.24Å; V300-L429 HydrophobicContact CG2-CD2 3.99Å; V421-L429 HydrophobicContact CG1-CD2 4.43Å; T425-L429 PolarHBondContact O-N 2.78Å; T425-L429 VanDerWaalsContact O-N 3.08Å; L429-Q431 VanDerWaalsContact C-N 3.33Å; L429-Q431 PolarHBondContact O-N 2.99Å; L429-E432 PolarHBondContact O-N 3.03Å; L429-L488 HydrophobicContact CD2-CD2 4.13Å; L429-L488 HydrophobicContact CG-CD2 4.26Å; L429-L491 HydrophobicContact CD1-CB 3.74Å; L429-Y495 HydrophobicContact CB-CD2 4.14Å; L429-Y495 HydrophobicContact CB-CE2 4.33Å; L429-Y495 HydrophobicContact CD1-CD2 4.13Å; L429-Y495 HydrophobicContact CD1-CE2 4.38Å
430	L	96	Very high	94.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-68.4	-33.9	-179	-74.6	170.2	0	0	0	112.7	V421 S426 R427 L428 E432 L433 T434 L438 I453 W472 L474 L488	V421-L430 HydrophobicContact CB-CD1 4.02Å; V421-L430 HydrophobicContact CG1-CD1 4.14Å; V421-L430 HydrophobicContact CG1-CG 4.25Å; V421-L430 HydrophobicContact CG2-CD1 4.19Å; V421-L430 HydrophobicContact CG2-CD2 4.26Å; V421-L430 HydrophobicContact CG2-CG 4.5Å; S426-L430 WeakPolarHBondContact O-CB 3.32Å; S426-L430 WeakPolarHBondContact O-CG 3.08Å; S426-L430 PolarHBondContact O-N 3.29Å; R427-L430 PolarHBondContact O-N 3.39Å; L428-L430 PolarHBondContact O-N 3.41Å; L430-E432 VanDerWaalsContact C-N 3.26Å; L430-E432 PolarHBondContact O-N 3.2Å; L430-L433 PolarHBondContact O-N 2.98Å; L430-T434 WeakPolarHBondContact O-CG2 3.26Å; L430-T434 PolarHBondContact O-N 2.94Å; L430-L438 HydrophobicContact CB-CD1 3.54Å; L430-I453 HydrophobicContact CD2-CD1 4.09Å; L430-W472 HydrophobicContact CD1-CB 3.62Å; L430-W472 HydrophobicContact CD1-CD2 3.34Å; L430-W472 HydrophobicContact CD1-CE3 3.48Å; L430-W472 VanDerWaalsContact CD1-CE3 3.48Å; L430-W472 HydrophobicContact CD1-CG 3.38Å; L430-W472 HydrophobicContact CD1-CZ3 4.41Å; L430-L474 HydrophobicContact CD2-CD1 4.07Å; L430-L488 HydrophobicContact CD2-CD2 3.78Å
431	Q	95.5	Very high	94	Very high	68 Å²	68	40.8 Å²	40.8	32%	0.318	21%	0.211	S	C	.	.	H	α-helix	trans	-64.8	-31.5	179.1	-171.8	65.2	79.7	0	0	111.6	R427 L428 L429 L433 T434 Q436 L438	R427-Q431 VanDerWaalsContact O-CB 3.24Å; R427-Q431 WeakPolarHBondContact O-CB 3.43Å; R427-Q431 PolarHBondContact O-N 2.8Å; L428-Q431 PolarHBondContact O-N 2.76Å; L429-Q431 VanDerWaalsContact C-N 3.33Å; L429-Q431 PolarHBondContact O-N 2.99Å; Q431-L433 PolarHBondContact O-N 3.02Å; Q431-T434 PolarHBondContact NE2-O 3.22Å; Q431-T434 PolarHBondContact O-N 3.2Å; Q431-Q436 PolarHBondContact NE2-O 2.78Å; Q431-L438 HydrophobicContact CB-CD1 4.15Å
432	E	95.9	Very high	93.7	Very high	97 Å²	97	43.3 Å²	43.3	45%	0.453	23%	0.226	S	C	.	.	H	α-helix	trans	-68.2	-21.1	173	-69.8	-171.9	-152.3	0	0	113.4	L428 L429 L430 L491 Y495	L428-E432 PolarHBondContact O-N 2.77Å; L429-E432 PolarHBondContact O-N 3.03Å; L430-E432 VanDerWaalsContact C-N 3.26Å; L430-E432 PolarHBondContact O-N 3.2Å; E432-L491 HydrophobicContact CB-CD1 3.89Å; E432-Y495 VanDerWaalsContact OE1-CE2 3.26Å; E432-Y495 WeakPolarHBondContact OE1-CE2 3.21Å; E432-Y495 VanDerWaalsContact OE1-CZ 3.27Å; E432-Y495 PolarHBondContact OE1-OH 3.11Å
433	L	96.5	Very high	93.6	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.058	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-0.5	-179.4	-67.8	171.7	0	0	0	113.1	L430 Q431 I453 G454 E487 L488 L491	L430-L433 PolarHBondContact O-N 2.98Å; Q431-L433 PolarHBondContact O-N 3.02Å; L433-I453 HydrophobicContact CB-CG2 3.89Å; L433-I453 HydrophobicContact CD1-CG2 3.93Å; L433-I453 HydrophobicContact CG-CG2 4.47Å; L433-I453 CarbonylContact O-C 3.58Å; L433-I453 WeakPolarHBondContact O-CA 2.95Å; L433-G454 PolarHBondContact O-N 3.21Å; L433-E487 HydrophobicContact CD1-CB 4.49Å; L433-E487 HydrophobicContact CD2-CB 3.84Å; L433-L488 HydrophobicContact CD1-CD2 3.7Å; L433-L488 HydrophobicContact CD1-CG 4.11Å; L433-L491 HydrophobicContact CD2-CD1 3.33Å; L433-L491 HydrophobicContact CD2-CG 4.28Å; L433-L491 HydrophobicContact CG-CD1 3.74Å
434	T	96.1	Very high	93.5	Very high	10 Å²	10	45.4 Å²	45.4	6%	0.061	24%	0.24	C	C	.	.			trans	-149	138.5	-175.9	-164.3	0	0	0	0	112.6	L430 Q431 Q436 L438 N452	L430-T434 WeakPolarHBondContact O-CG2 3.26Å; L430-T434 PolarHBondContact O-N 2.94Å; Q431-T434 PolarHBondContact NE2-O 3.22Å; Q431-T434 PolarHBondContact O-N 3.2Å; T434-Q436 PolarHBondContact O-N 2.59Å; T434-Q436 PolarHBondContact OG1-N 2.71Å; T434-L438 HydrophobicContact CG2-CD1 3.7Å; T434-L438 HydrophobicContact CG2-CD2 3.57Å; T434-L438 HydrophobicContact CG2-CG 3.8Å; T434-N452 WeakPolarHBondContact CB-O 3.22Å; T434-N452 PolarHBondContact OG1-O 2.88Å
435	D	93.1	Very high	93.5	Very high	171 Å²	171	48 Å²	48	91%	0.914	26%	0.263	S	S	*	.	S	Bend	trans	-77.9	-10.7	174	-57.2	-44.3	0	0	0	112.3
436	Q	94.2	Very high	93.5	Very high	58 Å²	58	52.6 Å²	52.6	27%	0.271	28%	0.282	S	S	.	.	S	Bend	trans	-76.4	137.2	177.8	-60.6	-171.1	26.8	0	0	110.2	Q431 T434 L438 E450	Q431-Q436 PolarHBondContact NE2-O 2.78Å; T434-Q436 PolarHBondContact O-N 2.59Å; T434-Q436 PolarHBondContact OG1-N 2.71Å; Q436-L438 VanDerWaalsContact O-CD2 3.26Å; Q436-L438 WeakPolarHBondContact O-CD2 3.49Å; Q436-L438 WeakPolarHBondContact O-CG 3.46Å; Q436-L438 PolarHBondContact O-N 3.27Å; Q436-E450 PolarHBondContact NE2-O 2.92Å; Q436-E450 PolarHBondContact OE1-O 3.31Å
437	P	94.2	Very high	93.6	Very high	66 Å²	66	56.8 Å²	56.8	43%	0.429	30%	0.298	S	S	.	.			trans	-70.5	133.6	178.6	28.7	-34.7	0	0	0	111.1	D439 T442	P437-D439 WeakPolarHBondContact CB-OD2 3.23Å; P437-T442 HydrophobicContact CB-CG2 4.09Å; P437-T442 WeakPolarHBondContact CB-OG1 3.49Å; P437-T442 HydrophobicContact CG-CG2 3.96Å; P437-T442 PolarHBondContact O-OG1 3.29Å
438	L	93.5	Very high	93.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.3	C	S	.	.			trans	-113	5.8	-174.9	-53.7	-167.6	0	0	0	113.4	R427 L430 Q431 T434 Q436 F443 W472	R427-L438 VanDerWaalsContact CD-O 3.22Å; R427-L438 WeakPolarHBondContact CD-O 3.27Å; R427-L438 HydrophobicContact CG-CB 3.96Å; R427-L438 PolarHBondContact NE-O 2.88Å; L430-L438 HydrophobicContact CB-CD1 3.54Å; Q431-L438 HydrophobicContact CB-CD1 4.15Å; T434-L438 HydrophobicContact CG2-CD1 3.7Å; T434-L438 HydrophobicContact CG2-CD2 3.57Å; T434-L438 HydrophobicContact CG2-CG 3.8Å; Q436-L438 VanDerWaalsContact O-CD2 3.26Å; Q436-L438 WeakPolarHBondContact O-CD2 3.49Å; Q436-L438 WeakPolarHBondContact O-CG 3.46Å; Q436-L438 PolarHBondContact O-N 3.27Å; L438-F443 HydrophobicContact CD2-CD1 4.35Å; L438-W472 HydrophobicContact CB-CH2 3.44Å; L438-W472 VanDerWaalsContact CB-CH2 3.44Å; L438-W472 HydrophobicContact CB-CZ2 3.5Å; L438-W472 VanDerWaalsContact CB-CZ2 3.5Å; L438-W472 HydrophobicContact CD1-CH2 3.42Å; L438-W472 VanDerWaalsContact CD1-CH2 3.42Å; L438-W472 HydrophobicContact CD1-CZ2 3.83Å; L438-W472 HydrophobicContact CD1-CZ3 3.74Å; L438-W472 HydrophobicContact CD2-CH2 3.12Å; L438-W472 HydrophobicContact CD2-CZ2 4.12Å; L438-W472 HydrophobicContact CD2-CZ3 3.58Å; L438-W472 HydrophobicContact CG-CH2 3.42Å; L438-W472 VanDerWaalsContact CG-CH2 3.42Å; L438-W472 HydrophobicContact CG-CZ2 3.97Å; L438-W472 HydrophobicContact CG-CZ3 4.1Å
439	D	90.5	Very high	93.7	Very high	51 Å²	51	57.1 Å²	57.1	27%	0.273	30%	0.3	S	S	.	.	S	Bend	trans	-67.6	164.3	179.2	66.9	82.3	0	0	0	112.4	P437 Q441 T442 F443	P437-D439 WeakPolarHBondContact CB-OD2 3.23Å; D439-Q441 PolarHBondContact O-N 3.15Å; D439-Q441 WeakPolarHBondContact OD1-CA 3.23Å; D439-Q441 WeakPolarHBondContact OD1-CB 3.41Å; D439-Q441 PolarHBondContact OD1-N 2.87Å; D439-T442 PolarHBondContact O-N 3Å; D439-T442 PolarHBondContact O-OG1 2.81Å; D439-T442 PolarHBondContact OD1-N 2.89Å; D439-T442 PolarHBondContact OD1-OG1 2.84Å; D439-T442 WeakPolarHBondContact OD2-CG2 3.47Å; D439-T442 PolarHBondContact OD2-OG1 3.47Å; D439-F443 CarbonylContact O-C 3.43Å; D439-F443 WeakPolarHBondContact O-CA 3.27Å; D439-F443 PolarHBondContact O-N 2.82Å
440	S	88.6	Confident	93.7	Very high	49 Å²	49	62.6 Å²	62.6	34%	0.343	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-12.9	-173.2	-54	0	0	0	0	113.6	R427 P444 E656	R427-S440 PolarHBondContact NH2-OG 2.67Å; S440-P444 WeakPolarHBondContact O-CB 3.16Å; S440-E656 WeakPolarHBondContact CB-OE1 3.38Å; S440-E656 PolarHBondContact N-OE1 2.87Å; S440-E656 PolarHBondContact OG-OE1 3.25Å
441	Q	90.9	Very high	93.7	Very high	179 Å²	179	62.6 Å²	62.6	84%	0.836	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-44.9	172.9	-172.6	-178.4	3.7	0	0	110.6	D439	D439-Q441 PolarHBondContact O-N 3.15Å; D439-Q441 WeakPolarHBondContact OD1-CA 3.23Å; D439-Q441 WeakPolarHBondContact OD1-CB 3.41Å; D439-Q441 PolarHBondContact OD1-N 2.87Å
442	T	91.9	Very high	93.7	Very high	53 Å²	53	62.6 Å²	62.6	33%	0.325	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-36.2	-176.6	63.2	0	0	0	0	113	P437 D439 K449	P437-T442 HydrophobicContact CB-CG2 4.09Å; P437-T442 WeakPolarHBondContact CB-OG1 3.49Å; P437-T442 HydrophobicContact CG-CG2 3.96Å; P437-T442 PolarHBondContact O-OG1 3.29Å; D439-T442 PolarHBondContact O-N 3Å; D439-T442 PolarHBondContact O-OG1 2.81Å; D439-T442 PolarHBondContact OD1-N 2.89Å; D439-T442 PolarHBondContact OD1-OG1 2.84Å; D439-T442 WeakPolarHBondContact OD2-CG2 3.47Å; D439-T442 PolarHBondContact OD2-OG1 3.47Å; T442-K449 WeakPolarHBondContact O-CE 3.4Å; T442-K449 PolarHBondContact O-NZ 3.18Å
443	F	93.8	Very high	93.7	Very high	1 Å²	1	58 Å²	58	0%	0.004	31%	0.306	C	S	.	.	S	Bend	trans	-130.7	68	-179.3	-155.5	156.5	0	0	0	111.4	L438 D439 R447 K449 V451 A461 W472	L438-F443 HydrophobicContact CD2-CD1 4.35Å; D439-F443 CarbonylContact O-C 3.43Å; D439-F443 WeakPolarHBondContact O-CA 3.27Å; D439-F443 PolarHBondContact O-N 2.82Å; F443-R447 HydrophobicContact CD2-CB 3.73Å; F443-R447 HydrophobicContact CE2-CB 3.58Å; F443-R447 WeakPolarHBondContact CE2-O 3.41Å; F443-K449 HydrophobicContact CD1-CB 4.47Å; F443-K449 HydrophobicContact CD1-CD 3.73Å; F443-K449 HydrophobicContact CD1-CG 4.25Å; F443-K449 HydrophobicContact CD2-CD 4.38Å; F443-K449 HydrophobicContact CD2-CG 4.44Å; F443-K449 HydrophobicContact CE1-CB 3.67Å; F443-K449 HydrophobicContact CE1-CD 3.77Å; F443-K449 HydrophobicContact CE1-CG 3.81Å; F443-K449 HydrophobicContact CE2-CB 4.46Å; F443-K449 HydrophobicContact CE2-CD 4.39Å; F443-K449 HydrophobicContact CE2-CG 4.01Å; F443-K449 HydrophobicContact CG-CD 4.05Å; F443-K449 HydrophobicContact CZ-CB 3.65Å; F443-K449 HydrophobicContact CZ-CD 4.1Å; F443-K449 HydrophobicContact CZ-CG 3.68Å; F443-V451 HydrophobicContact CE1-CG1 3.99Å; F443-A461 HydrophobicContact CE1-CB 4.42Å; F443-A461 HydrophobicContact CZ-CB 4.36Å; F443-A461 WeakPolarHBondContact CZ-O 2.92Å; F443-W472 AromaticContact CD1-CH2 3.62Å; F443-W472 HydrophobicContact CD1-CH2 3.62Å; F443-W472 HydrophobicContact CD1-CZ2 4.41Å; F443-W472 HydrophobicContact CD1-CZ3 4.23Å; F443-W472 AromaticContact CE1-CH2 3.82Å; F443-W472 HydrophobicContact CE1-CH2 3.82Å; F443-W472 AromaticContact CE1-CZ3 3.97Å; F443-W472 HydrophobicContact CE1-CZ3 3.97Å; F443-W472 HydrophobicContact CG-CH2 4.3Å
444	P	92	Very high	93.4	Very high	43 Å²	43	59.1 Å²	59.1	28%	0.279	32%	0.32	S	S	.	.			trans	-63.9	164.1	-179.3	24.2	-31	0	0	0	112.5	S440 R447 S463	S440-P444 WeakPolarHBondContact O-CB 3.16Å; P444-R447 HydrophobicContact CG-CG 3.76Å; P444-R447 WeakPolarHBondContact O-CB 3.03Å; P444-R447 VanDerWaalsContact O-CG 3.28Å; P444-R447 WeakPolarHBondContact O-CG 3.37Å; P444-S463 WeakPolarHBondContact O-CB 2.98Å
445	A	91.2	Very high	93.3	Very high	62 Å²	62	63.9 Å²	63.9	51%	0.512	35%	0.353	S	S	.	.	S	Bend	trans	-54.9	151.8	174.7	0	0	0	0	0	112.1	R447 S463	A445-R447 VanDerWaalsContact C-N 3.29Å; A445-R447 PolarHBondContact O-N 3.32Å; A445-S463 CarbonylContact C-O 3.57Å; A445-S463 VanDerWaalsContact CA-O 3.3Å; A445-S463 WeakPolarHBondContact CA-O 3.41Å
446	F	92.8	Very high	93.5	Very high	96 Å²	96	55.7 Å²	55.7	42%	0.421	31%	0.309	S	S	.	.	S	Bend	trans	58.1	40.1	-176.5	-63.3	-88.1	0	0	0	113.3	T360 F362 S463 V464	T360-F446 PolarHBondContact N-O 3.43Å; F362-F446 HydrophobicContact CB-CE1 4.34Å; F446-S463 PolarHBondContact N-O 3.24Å; F446-V464 HydrophobicContact CD1-CG2 4.32Å; F446-V464 HydrophobicContact CE1-CG2 3.85Å; F446-V464 HydrophobicContact CE2-CG2 4.29Å; F446-V464 HydrophobicContact CZ-CG2 3.83Å
447	R	95.2	Very high	93.4	Very high	90 Å²	90	56 Å²	56	34%	0.34	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-119.1	154.3	167.8	-66.1	-66.1	177.9	-103.6	7	110.9	G358 F443 P444 A445 V462 S463	G358-R447 CarbonylContact O-C 3.57Å; G358-R447 VanDerWaalsContact O-CA 3.22Å; G358-R447 WeakPolarHBondContact O-CA 3.47Å; G358-R447 VanDerWaalsContact O-CD 3.25Å; G358-R447 WeakPolarHBondContact O-CD 3.08Å; F443-R447 HydrophobicContact CD2-CB 3.73Å; F443-R447 HydrophobicContact CE2-CB 3.58Å; F443-R447 WeakPolarHBondContact CE2-O 3.41Å; P444-R447 HydrophobicContact CG-CG 3.76Å; P444-R447 WeakPolarHBondContact O-CB 3.03Å; P444-R447 VanDerWaalsContact O-CG 3.28Å; P444-R447 WeakPolarHBondContact O-CG 3.37Å; A445-R447 VanDerWaalsContact C-N 3.29Å; A445-R447 PolarHBondContact O-N 3.32Å; R447-V462 CarbonylContact O-C 3.55Å; R447-V462 VanDerWaalsContact O-CA 3.31Å; R447-V462 WeakPolarHBondContact O-CA 3.41Å; R447-S463 PolarHBondContact O-N 2.97Å
448	C	95.6	Very high	93.3	Very high	22 Å²	22	56.1 Å²	56.1	15%	0.149	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.5	171.1	-176.9	0	0	0	0	108.7	G358 T360 A461 V462	G358-C448 WeakPolarHBondContact CA-O 3.33Å; G358-C448 PolarHBondContact O-N 3.33Å; T360-C448 WeakPolarHBondContact OG1-CB 3.41Å; C448-A461 CarbonylContact C-O 3.55Å; C448-A461 VanDerWaalsContact CA-O 3.25Å; C448-A461 WeakPolarHBondContact CA-O 3.25Å; C448-V462 HydrophobicContact CB-CG2 4.07Å
449	K	95.2	Very high	93.4	Very high	73 Å²	73	56.1 Å²	56.1	32%	0.317	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.9	172.9	-62.8	-171.8	-174.8	177.7	0	110.4	T442 F443 V451 A461	T442-K449 WeakPolarHBondContact O-CE 3.4Å; T442-K449 PolarHBondContact O-NZ 3.18Å; F443-K449 HydrophobicContact CD1-CB 4.47Å; F443-K449 HydrophobicContact CD1-CD 3.73Å; F443-K449 HydrophobicContact CD1-CG 4.25Å; F443-K449 HydrophobicContact CD2-CD 4.38Å; F443-K449 HydrophobicContact CD2-CG 4.44Å; F443-K449 HydrophobicContact CE1-CB 3.67Å; F443-K449 HydrophobicContact CE1-CD 3.77Å; F443-K449 HydrophobicContact CE1-CG 3.81Å; F443-K449 HydrophobicContact CE2-CB 4.46Å; F443-K449 HydrophobicContact CE2-CD 4.39Å; F443-K449 HydrophobicContact CE2-CG 4.01Å; F443-K449 HydrophobicContact CG-CD 4.05Å; F443-K449 HydrophobicContact CZ-CB 3.65Å; F443-K449 HydrophobicContact CZ-CD 4.1Å; F443-K449 HydrophobicContact CZ-CG 3.68Å; K449-V451 HydrophobicContact CB-CG1 4.36Å; K449-A461 PolarHBondContact N-O 2.91Å; K449-A461 PolarHBondContact O-N 2.95Å
450	E	95.2	Very high	93.6	Very high	115 Å²	115	55.6 Å²	55.6	54%	0.537	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.6	163.2	-70.5	-174	-176.4	0	0	109.4	Q436 L459	Q436-E450 PolarHBondContact NE2-O 2.92Å; Q436-E450 PolarHBondContact OE1-O 3.31Å; E450-L459 CarbonylContact C-O 3.6Å; E450-L459 VanDerWaalsContact CA-O 3.27Å; E450-L459 WeakPolarHBondContact CA-O 2.85Å
451	V	95	Very high	94	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.8	-178.7	-60.6	0	0	0	0	110.1	F443 K449 I453 S458 L459 A461	F443-V451 HydrophobicContact CE1-CG1 3.99Å; K449-V451 HydrophobicContact CB-CG1 4.36Å; V451-I453 HydrophobicContact CG2-CD1 3.99Å; V451-I453 HydrophobicContact CG2-CG1 3.96Å; V451-S458 PolarHBondContact O-N 3.33Å; V451-L459 HydrophobicContact CG2-CB 4.34Å; V451-L459 PolarHBondContact N-O 2.81Å; V451-L459 PolarHBondContact O-N 3.38Å; V451-A461 HydrophobicContact CB-CB 4.42Å; V451-A461 HydrophobicContact CG1-CB 4.05Å; V451-A461 HydrophobicContact CG2-CB 3.45Å; V451-A461 VanDerWaalsContact CG2-CB 3.45Å
452	N	96.2	Very high	94.2	Very high	68 Å²	68	44.9 Å²	44.9	36%	0.364	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.7	167	-57.8	-25.3	0	0	0	107.8	T434 A456 S457 S458	T434-N452 WeakPolarHBondContact CB-O 3.22Å; T434-N452 PolarHBondContact OG1-O 2.88Å; N452-A456 CarbonylContact C-O 3.52Å; N452-A456 VanDerWaalsContact CA-O 3.28Å; N452-A456 WeakPolarHBondContact CA-O 3.41Å; N452-S457 VanDerWaalsContact OD1-CA 3.31Å; N452-S457 WeakPolarHBondContact OD1-CA 3.48Å; N452-S458 PolarHBondContact OD1-N 3.27Å
453	I	95	Very high	94.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	111	178.7	-59.2	-65.5	0	0	0	108	L430 L433 V451 C455 A456 L459 V484	L430-I453 HydrophobicContact CD2-CD1 4.09Å; L433-I453 HydrophobicContact CB-CG2 3.89Å; L433-I453 HydrophobicContact CD1-CG2 3.93Å; L433-I453 HydrophobicContact CG-CG2 4.47Å; L433-I453 CarbonylContact O-C 3.58Å; L433-I453 WeakPolarHBondContact O-CA 2.95Å; V451-I453 HydrophobicContact CG2-CD1 3.99Å; V451-I453 HydrophobicContact CG2-CG1 3.96Å; I453-C455 PolarHBondContact O-N 2.99Å; I453-A456 PolarHBondContact N-O 2.85Å; I453-A456 WeakPolarHBondContact O-CB 3.02Å; I453-A456 PolarHBondContact O-N 3.22Å; I453-L459 HydrophobicContact CB-CD2 4.13Å; I453-L459 HydrophobicContact CG1-CD2 4Å; I453-V484 HydrophobicContact CG2-CG1 3.96Å
454	G	91.8	Very high	94	Very high	34 Å²	34	44.1 Å²	44.1	35%	0.351	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	-130.4	-166.4	0	0	0	0	0	110.4	L433 A456	L433-G454 PolarHBondContact O-N 3.21Å; G454-A456 VanDerWaalsContact C-N 3.31Å
455	C	93.8	Very high	93.7	Very high	110 Å²	110	42.3 Å²	42.3	74%	0.743	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	1.7	175.5	-55.3	0	0	0	0	114.2	I453 H483	I453-C455 PolarHBondContact O-N 2.99Å; C455-H483 PolarHBondContact N-NE2 2.82Å
456	A	96	Very high	93	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.1	178.8	0	0	0	0	0	110.5	N452 I453 G454 L459 F480 V484	N452-A456 CarbonylContact C-O 3.52Å; N452-A456 VanDerWaalsContact CA-O 3.28Å; N452-A456 WeakPolarHBondContact CA-O 3.41Å; I453-A456 PolarHBondContact N-O 2.85Å; I453-A456 WeakPolarHBondContact O-CB 3.02Å; I453-A456 PolarHBondContact O-N 3.22Å; G454-A456 VanDerWaalsContact C-N 3.31Å; A456-L459 HydrophobicContact CB-CD1 3.73Å; A456-L459 WeakPolarHBondContact O-CD1 3.04Å; A456-F480 HydrophobicContact CB-CB 3.7Å; A456-F480 HydrophobicContact CB-CD1 3.91Å; A456-F480 HydrophobicContact CB-CD2 4.27Å; A456-F480 HydrophobicContact CB-CG 3.7Å; A456-V484 HydrophobicContact CB-CG2 3.5Å; A456-V484 VanDerWaalsContact CB-CG2 3.5Å
457	S	93.1	Very high	92.5	Very high	64 Å²	64	36.6 Å²	36.6	45%	0.448	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	150.4	-173.4	-59.2	0	0	0	0	112.8	N452 L459	N452-S457 VanDerWaalsContact OD1-CA 3.31Å; N452-S457 WeakPolarHBondContact OD1-CA 3.48Å; S457-L459 PolarHBondContact O-N 3.42Å
458	S	91.3	Very high	91.8	Very high	68 Å²	68	33.3 Å²	33.3	48%	0.476	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.2	40.8	168.9	-60.5	0	0	0	0	115.1	V451 N452	V451-S458 PolarHBondContact O-N 3.33Å; N452-S458 PolarHBondContact OD1-N 3.27Å
459	L	95.7	Very high	91.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	141.3	169.2	-74.4	67.6	0	0	0	109.6	E450 V451 I453 A456 S457 A461 I476 V484	E450-L459 CarbonylContact C-O 3.6Å; E450-L459 VanDerWaalsContact CA-O 3.27Å; E450-L459 WeakPolarHBondContact CA-O 2.85Å; V451-L459 HydrophobicContact CG2-CB 4.34Å; V451-L459 PolarHBondContact N-O 2.81Å; V451-L459 PolarHBondContact O-N 3.38Å; I453-L459 HydrophobicContact CB-CD2 4.13Å; I453-L459 HydrophobicContact CG1-CD2 4Å; A456-L459 HydrophobicContact CB-CD1 3.73Å; A456-L459 WeakPolarHBondContact O-CD1 3.04Å; S457-L459 PolarHBondContact O-N 3.42Å; L459-A461 PolarHBondContact O-N 3.33Å; L459-I476 HydrophobicContact CD2-CB 4.28Å; L459-I476 HydrophobicContact CD2-CG1 3.8Å; L459-I476 HydrophobicContact CD2-CG2 3.99Å; L459-I476 HydrophobicContact CG-CG2 4.31Å; L459-V484 HydrophobicContact CD2-CG1 4.31Å; L459-V484 HydrophobicContact CD2-CG2 3.96Å
460	K	95.9	Very high	91.1	Very high	41 Å²	41	31.8 Å²	31.8	18%	0.178	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.8	170.5	-61	170.5	-177.6	169.4	0	108.5	E312 L382 Y475	E312-K460 IonicContact OE1-NZ 3.81Å; E312-K460 PolarHBondContact OE1-NZ 2.95Å; L382-K460 HydrophobicContact CD2-CD 3.93Å; K460-Y475 HydrophobicContact CB-CD2 4.29Å; K460-Y475 PolarHBondContact N-O 3.14Å; K460-Y475 PolarHBondContact O-N 3.05Å
461	A	96.5	Very high	91	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.9	171.7	0	0	0	0	0	110.3	F443 C448 K449 V451 L459 W472 L474	F443-A461 HydrophobicContact CE1-CB 4.42Å; F443-A461 HydrophobicContact CZ-CB 4.36Å; F443-A461 WeakPolarHBondContact CZ-O 2.92Å; C448-A461 CarbonylContact C-O 3.55Å; C448-A461 VanDerWaalsContact CA-O 3.25Å; C448-A461 WeakPolarHBondContact CA-O 3.25Å; K449-A461 PolarHBondContact N-O 2.91Å; K449-A461 PolarHBondContact O-N 2.95Å; V451-A461 HydrophobicContact CB-CB 4.42Å; V451-A461 HydrophobicContact CG1-CB 4.05Å; V451-A461 HydrophobicContact CG2-CB 3.45Å; V451-A461 VanDerWaalsContact CG2-CB 3.45Å; L459-A461 PolarHBondContact O-N 3.33Å; A461-W472 HydrophobicContact CB-CE3 4.01Å; A461-W472 HydrophobicContact CB-CZ3 4.14Å; A461-L474 HydrophobicContact CB-CD2 3.68Å
462	V	95.7	Very high	91	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.2	174.4	-175.1	0	0	0	0	109.3	T360 R447 C448 V464 W472 T473 Y475	T360-V462 HydrophobicContact CG2-CG1 3.84Å; R447-V462 CarbonylContact O-C 3.55Å; R447-V462 VanDerWaalsContact O-CA 3.31Å; R447-V462 WeakPolarHBondContact O-CA 3.41Å; C448-V462 HydrophobicContact CB-CG2 4.07Å; V462-V464 HydrophobicContact CG1-CG1 3.77Å; V462-V464 PolarHBondContact O-N 3.13Å; V462-W472 CarbonylContact O-C 3.56Å; V462-W472 WeakPolarHBondContact O-CA 3.46Å; V462-T473 PolarHBondContact N-O 3.43Å; V462-T473 PolarHBondContact O-N 3.35Å; V462-Y475 HydrophobicContact CG2-CD2 4.28Å; V462-Y475 HydrophobicContact CG2-CE2 3.72Å
463	S	94	Very high	91	Very high	10 Å²	10	23.6 Å²	23.6	7%	0.07	16%	0.157	C	C	.	.	S	Bend	trans	-81.3	60.3	179.4	-172.7	0	0	0	0	111	P444 A445 F446 R447	P444-S463 WeakPolarHBondContact O-CB 2.98Å; A445-S463 CarbonylContact C-O 3.57Å; A445-S463 VanDerWaalsContact CA-O 3.3Å; A445-S463 WeakPolarHBondContact CA-O 3.41Å; F446-S463 PolarHBondContact N-O 3.24Å; R447-S463 PolarHBondContact O-N 2.97Å
464	V	87.2	Confident	91.1	Very high	28 Å²	28	23.6 Å²	23.6	17%	0.17	16%	0.157	C	C	.	.			trans	-160.4	150.8	169.9	78.5	0	0	0	0	108.8	F446 V462 G471 T473	F446-V464 HydrophobicContact CD1-CG2 4.32Å; F446-V464 HydrophobicContact CE1-CG2 3.85Å; F446-V464 HydrophobicContact CE2-CG2 4.29Å; F446-V464 HydrophobicContact CZ-CG2 3.83Å; V462-V464 HydrophobicContact CG1-CG1 3.77Å; V462-V464 PolarHBondContact O-N 3.13Å; V464-G471 PolarHBondContact N-O 3.32Å; V464-T473 PolarHBondContact O-OG1 2.81Å; V464-T473 VanDerWaalsContact O-OG1 3.09Å
465	S	84.4	Confident	91.4	Very high	6 Å²	6	22.3 Å²	22.3	4%	0.042	14%	0.142	C	C	.	.			trans	-112.9	153.4	168.2	74.9	0	0	0	0	111.4	C467 G468 E469	S465-C467 VanDerWaalsContact C-N 3.28Å; S465-C467 PolarHBondContact O-N 2.81Å; S465-G468 PolarHBondContact O-N 2.77Å; S465-G468 PolarHBondContact OG-N 2.69Å; S465-E469 PolarHBondContact OG-N 3.2Å; S465-E469 VanDerWaalsContact OG-N 3.1Å; S465-E469 PolarHBondContact OG-O 3.41Å
466	H	78.4	Confident	91.6	Very high	37 Å²	37	17 Å²	17	17%	0.171	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-12.8	179.1	-62.2	-69.6	0	0	0	114	H308 F505	H308-H466 AromaticContact CE1-CD2 3.82Å; H308-H466 AromaticContact ND1-CD2 3.86Å; H308-H466 AromaticContact ND1-NE2 3.82Å; H466-F505 HydrophobicContact CB-CE2 3.81Å; H466-F505 HydrophobicContact CB-CZ 3.59Å
467	C	82.1	Confident	91.6	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-3.9	174.6	55.6	0	0	0	0	113.3	S465 E469 F505 L508 K512	S465-C467 VanDerWaalsContact C-N 3.28Å; S465-C467 PolarHBondContact O-N 2.81Å; C467-E469 VanDerWaalsContact C-N 3.31Å; C467-E469 PolarHBondContact O-N 2.89Å; C467-F505 HydrophobicContact CB-CD2 3.6Å; C467-F505 HydrophobicContact CB-CE2 3.5Å; C467-F505 HydrophobicContact CB-CG 4.41Å; C467-F505 HydrophobicContact CB-CZ 4.24Å; C467-L508 HydrophobicContact CB-CB 3.88Å; C467-L508 HydrophobicContact CB-CD1 4.29Å; C467-K512 WeakPolarHBondContact O-CD 3.35Å
468	G	80.4	Confident	91.8	Very high	22 Å²	22	17.7 Å²	17.7	23%	0.227	11%	0.106	C	C	.	.	S	Bend	trans	80.7	3.9	178.8	0	0	0	0	0	114.7	S465 K512 F514	S465-G468 PolarHBondContact O-N 2.77Å; S465-G468 PolarHBondContact OG-N 2.69Å; G468-K512 PolarHBondContact O-NZ 2.87Å; G468-F514 VanDerWaalsContact CA-CE2 3.42Å
469	E	87.9	Confident	92	Very high	11 Å²	11	21.1 Å²	21.1	5%	0.051	11%	0.114	C	C	.	.	S	Bend	trans	-69.1	154.5	166	-68.4	-50.5	134	0	0	111.1	C296 R297 S465 C467 G471 L508 K512	C296-E469 HydrophobicContact CB-CG 4.45Å; R297-E469 VanDerWaalsContact CD-CD 3.48Å; R297-E469 WeakPolarHBondContact CD-OE1 3.39Å; R297-E469 IonicContact CZ-OE1 2.94Å; R297-E469 IonicContact NE-OE1 2.75Å; R297-E469 IonicContact NH1-OE1 3.05Å; R297-E469 PolarHBondContact NH1-OE1 3.3Å; R297-E469 IonicContact NH1-OE2 3.77Å; R297-E469 PolarHBondContact NH1-OE2 3.24Å; S465-E469 PolarHBondContact OG-N 3.2Å; S465-E469 VanDerWaalsContact OG-N 3.1Å; S465-E469 PolarHBondContact OG-O 3.41Å; C467-E469 VanDerWaalsContact C-N 3.31Å; C467-E469 PolarHBondContact O-N 2.89Å; E469-G471 PolarHBondContact O-N 3.31Å; E469-L508 HydrophobicContact CG-CD1 4.2Å; E469-L508 HydrophobicContact CG-CD2 3.95Å; E469-L508 WeakPolarHBondContact OE1-CD2 3.34Å; E469-K512 WeakPolarHBondContact OE1-CE 3.17Å; E469-K512 IonicContact OE1-NZ 3.98Å; E469-K512 PolarHBondContact OE1-NZ 2.8Å; E469-K512 IonicContact OE2-NZ 3.43Å; E469-K512 PolarHBondContact OE2-NZ 2.89Å
470	L	87.5	Confident	92.1	Very high	51 Å²	51	24.2 Å²	24.2	27%	0.267	13%	0.128	S	C	.	.	S	Bend	trans	-54	132.8	163.6	-68.6	170.5	0	0	0	107.8	L422 G423 V653	L422-L470 CarbonylContact C-O 3.47Å; G423-L470 PolarHBondContact N-O 2.81Å; L470-V653 WeakPolarHBondContact CD1-O 3.36Å
471	G	92.9	Very high	92.1	Very high	8 Å²	8	22.2 Å²	22.2	8%	0.082	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.8	173.4	-171.1	0	0	0	0	0	113.8	V421 V464 E469	V421-G471 CarbonylContact O-C 3.58Å; V421-G471 WeakPolarHBondContact O-CA 3.25Å; V464-G471 PolarHBondContact N-O 3.32Å; E469-G471 PolarHBondContact O-N 3.31Å
472	W	95.1	Very high	92.2	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.011	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.4	-167.3	-69.9	46.7	0	0	0	108.4	N420 V421 L430 L438 F443 A461 V462 L474	N420-W472 CarbonylContact C-O 3.6Å; N420-W472 VanDerWaalsContact CA-O 3.27Å; N420-W472 WeakPolarHBondContact CA-O 3.44Å; V421-W472 PolarHBondContact N-O 3.47Å; V421-W472 PolarHBondContact O-N 2.87Å; L430-W472 HydrophobicContact CD1-CB 3.62Å; L430-W472 HydrophobicContact CD1-CD2 3.34Å; L430-W472 HydrophobicContact CD1-CE3 3.48Å; L430-W472 VanDerWaalsContact CD1-CE3 3.48Å; L430-W472 HydrophobicContact CD1-CG 3.38Å; L430-W472 HydrophobicContact CD1-CZ3 4.41Å; L438-W472 HydrophobicContact CB-CH2 3.44Å; L438-W472 VanDerWaalsContact CB-CH2 3.44Å; L438-W472 HydrophobicContact CB-CZ2 3.5Å; L438-W472 VanDerWaalsContact CB-CZ2 3.5Å; L438-W472 HydrophobicContact CD1-CH2 3.42Å; L438-W472 VanDerWaalsContact CD1-CH2 3.42Å; L438-W472 HydrophobicContact CD1-CZ2 3.83Å; L438-W472 HydrophobicContact CD1-CZ3 3.74Å; L438-W472 HydrophobicContact CD2-CH2 3.12Å; L438-W472 HydrophobicContact CD2-CZ2 4.12Å; L438-W472 HydrophobicContact CD2-CZ3 3.58Å; L438-W472 HydrophobicContact CG-CH2 3.42Å; L438-W472 VanDerWaalsContact CG-CH2 3.42Å; L438-W472 HydrophobicContact CG-CZ2 3.97Å; L438-W472 HydrophobicContact CG-CZ3 4.1Å; F443-W472 AromaticContact CD1-CH2 3.62Å; F443-W472 HydrophobicContact CD1-CH2 3.62Å; F443-W472 HydrophobicContact CD1-CZ2 4.41Å; F443-W472 HydrophobicContact CD1-CZ3 4.23Å; F443-W472 AromaticContact CE1-CH2 3.82Å; F443-W472 HydrophobicContact CE1-CH2 3.82Å; F443-W472 AromaticContact CE1-CZ3 3.97Å; F443-W472 HydrophobicContact CE1-CZ3 3.97Å; F443-W472 HydrophobicContact CG-CH2 4.3Å; A461-W472 HydrophobicContact CB-CE3 4.01Å; A461-W472 HydrophobicContact CB-CZ3 4.14Å; V462-W472 CarbonylContact O-C 3.56Å; V462-W472 WeakPolarHBondContact O-CA 3.46Å; W472-L474 HydrophobicContact CB-CD2 4.37Å; W472-L474 HydrophobicContact CE3-CD2 4.3Å
473	T	96.7	Very high	92.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.6	167.1	-59.7	0	0	0	0	108.7	I305 T418 N420 V462 V464 Y475	I305-T473 HydrophobicContact CD1-CG2 4.1Å; T418-T473 HydrophobicContact CG2-CG2 3.49Å; T418-T473 VanDerWaalsContact CG2-CG2 3.49Å; N420-T473 WeakPolarHBondContact OD1-CB 3.42Å; N420-T473 PolarHBondContact OD1-OG1 2.85Å; V462-T473 PolarHBondContact N-O 3.43Å; V462-T473 PolarHBondContact O-N 3.35Å; V464-T473 PolarHBondContact O-OG1 2.81Å; V464-T473 VanDerWaalsContact O-OG1 3.09Å; T473-Y475 HydrophobicContact CG2-CD2 4.35Å; T473-Y475 HydrophobicContact CG2-CE2 3.73Å
474	L	97.2	Very high	92.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.3	178.3	-53.8	-177.7	0	0	0	109.3	T418 L419 V421 L430 A461 W472 I476 L488	T418-L474 VanDerWaalsContact CA-O 3.27Å; T418-L474 WeakPolarHBondContact CA-O 3.38Å; L419-L474 PolarHBondContact N-O 2.81Å; L419-L474 VanDerWaalsContact N-O 3.07Å; L419-L474 PolarHBondContact O-N 3.25Å; V421-L474 HydrophobicContact CG2-CD1 3.97Å; V421-L474 HydrophobicContact CG2-CG 4.42Å; L430-L474 HydrophobicContact CD2-CD1 4.07Å; A461-L474 HydrophobicContact CB-CD2 3.68Å; W472-L474 HydrophobicContact CB-CD2 4.37Å; W472-L474 HydrophobicContact CE3-CD2 4.3Å; L474-I476 HydrophobicContact CB-CD1 4.26Å; L474-I476 HydrophobicContact CB-CG1 3.94Å; L474-L488 HydrophobicContact CD1-CD1 4.45Å
475	Y	97.2	Very high	92.9	Very high	6 Å²	6	27 Å²	27	2%	0.024	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	105	168	-58.8	-92.5	0	0	0	108.4	K310 L382 A384 T418 K460 V462 T473	K310-Y475 HydrophobicContact CD-CD1 4.05Å; K310-Y475 HydrophobicContact CD-CE1 4.16Å; K310-Y475 HydrophobicContact CG-CE1 4.24Å; L382-Y475 HydrophobicContact CD2-CD1 4Å; L382-Y475 HydrophobicContact CD2-CD2 3.97Å; L382-Y475 HydrophobicContact CD2-CE1 4.08Å; L382-Y475 HydrophobicContact CD2-CE2 4.08Å; L382-Y475 HydrophobicContact CD2-CG 3.94Å; A384-Y475 HydrophobicContact CB-CE1 4.4Å; A384-Y475 VanDerWaalsContact CB-OH 3.27Å; A384-Y475 WeakPolarHBondContact CB-OH 3.4Å; T418-Y475 HydrophobicContact CG2-CD1 3.97Å; T418-Y475 HydrophobicContact CG2-CE1 3.95Å; T418-Y475 HydrophobicContact CG2-CG 4.5Å; K460-Y475 HydrophobicContact CB-CD2 4.29Å; K460-Y475 PolarHBondContact N-O 3.14Å; K460-Y475 PolarHBondContact O-N 3.05Å; V462-Y475 HydrophobicContact CG2-CD2 4.28Å; V462-Y475 HydrophobicContact CG2-CE2 3.72Å; T473-Y475 HydrophobicContact CG2-CD2 4.35Å; T473-Y475 HydrophobicContact CG2-CE2 3.73Å
476	I	98	Very high	93.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.2	-170.1	-47.9	167.8	0	0	0	108.1	Y416 T417 L419 L459 L474 N478 F480 V484	Y416-I476 CarbonylContact C-O 3.53Å; Y416-I476 VanDerWaalsContact CA-O 3.32Å; Y416-I476 WeakPolarHBondContact CA-O 3.24Å; T417-I476 PolarHBondContact N-O 2.78Å; T417-I476 PolarHBondContact O-N 2.77Å; L419-I476 HydrophobicContact CB-CD1 4.2Å; L419-I476 HydrophobicContact CD1-CD1 3.73Å; L419-I476 HydrophobicContact CG-CD1 3.83Å; L459-I476 HydrophobicContact CD2-CB 4.28Å; L459-I476 HydrophobicContact CD2-CG1 3.8Å; L459-I476 HydrophobicContact CD2-CG2 3.99Å; L459-I476 HydrophobicContact CG-CG2 4.31Å; L474-I476 HydrophobicContact CB-CD1 4.26Å; L474-I476 HydrophobicContact CB-CG1 3.94Å; I476-N478 PolarHBondContact O-N 3.39Å; I476-F480 HydrophobicContact CG2-CB 3.92Å; I476-V484 HydrophobicContact CD1-CB 4.22Å; I476-V484 HydrophobicContact CD1-CG1 3.72Å; I476-V484 HydrophobicContact CG1-CG1 4.45Å; I476-V484 HydrophobicContact CG2-CB 4.36Å; I476-V484 HydrophobicContact CG2-CG2 4.07Å
477	P	96.6	Very high	94.5	Very high	21 Å²	21	31.7 Å²	31.7	14%	0.136	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	134.5	167.1	-24.6	34.3	0	0	0	110.3	Y416 E479 F480 A481	Y416-P477 HydrophobicContact CE1-CG 4.3Å; P477-E479 HydrophobicContact CB-CG 4.37Å; P477-E479 VanDerWaalsContact CB-OE1 3.28Å; P477-E479 WeakPolarHBondContact CB-OE1 3.39Å; P477-E479 VanDerWaalsContact CB-OE2 3.24Å; P477-E479 WeakPolarHBondContact CB-OE2 3.34Å; P477-E479 PolarHBondContact O-N 3.12Å; P477-F480 HydrophobicContact CB-CD2 4Å; P477-F480 HydrophobicContact CB-CE2 4.49Å; P477-F480 HydrophobicContact CG-CD2 4.12Å; P477-F480 PolarHBondContact O-N 2.74Å; P477-A481 PolarHBondContact O-N 3.38Å
478	N	96.5	Very high	95.2	Very high	56 Å²	56	31.7 Å²	31.7	30%	0.299	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-57.6	-29.1	-168.7	-75.7	-24.5	0	0	0	113.9	P222 S414 T417 I476 F480 A481	P222-N478 HydrophobicContact CG-CB 3.96Å; S414-N478 PolarHBondContact O-ND2 2.82Å; T417-N478 PolarHBondContact N-OD1 2.88Å; T417-N478 PolarHBondContact OG1-OD1 2.98Å; I476-N478 PolarHBondContact O-N 3.39Å; N478-F480 PolarHBondContact O-N 2.88Å; N478-A481 WeakPolarHBondContact O-CB 3.42Å; N478-A481 PolarHBondContact O-N 2.9Å
479	E	95.8	Very high	96	Very high	140 Å²	140	33 Å²	33	65%	0.654	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-61.7	-25.6	175.5	65.1	-87.9	-154.1	0	0	113.5	P477	P477-E479 HydrophobicContact CB-CG 4.37Å; P477-E479 VanDerWaalsContact CB-OE1 3.28Å; P477-E479 WeakPolarHBondContact CB-OE1 3.39Å; P477-E479 VanDerWaalsContact CB-OE2 3.24Å; P477-E479 WeakPolarHBondContact CB-OE2 3.34Å; P477-E479 PolarHBondContact O-N 3.12Å
480	F	97.4	Very high	96.5	Very high	65 Å²	65	38.5 Å²	38.5	29%	0.285	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-101.4	-7.7	179.2	-60.1	-52	0	0	0	113.6	A456 I476 P477 N478 L482 H483 V484	A456-F480 HydrophobicContact CB-CB 3.7Å; A456-F480 HydrophobicContact CB-CD1 3.91Å; A456-F480 HydrophobicContact CB-CD2 4.27Å; A456-F480 HydrophobicContact CB-CG 3.7Å; I476-F480 HydrophobicContact CG2-CB 3.92Å; P477-F480 HydrophobicContact CB-CD2 4Å; P477-F480 HydrophobicContact CB-CE2 4.49Å; P477-F480 HydrophobicContact CG-CD2 4.12Å; P477-F480 PolarHBondContact O-N 2.74Å; N478-F480 PolarHBondContact O-N 2.88Å; F480-L482 PolarHBondContact O-N 2.77Å; F480-H483 PolarHBondContact O-N 3.3Å; F480-V484 HydrophobicContact CB-CG2 4.21Å; F480-V484 WeakPolarHBondContact O-CB 3.28Å; F480-V484 VanDerWaalsContact O-CG2 3.31Å; F480-V484 WeakPolarHBondContact O-CG2 3.5Å; F480-V484 PolarHBondContact O-N 3.25Å
481	A	97.3	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-54.1	-49.9	-171.5	0	0	0	0	0	112.8	P222 T417 P477 N478 F485	P222-A481 HydrophobicContact CB-CB 3.81Å; P222-A481 HydrophobicContact CG-CB 3.96Å; T417-A481 HydrophobicContact CG2-CB 3.95Å; T417-A481 VanDerWaalsContact OG1-CB 3.27Å; T417-A481 WeakPolarHBondContact OG1-CB 3.43Å; P477-A481 PolarHBondContact O-N 3.38Å; N478-A481 WeakPolarHBondContact O-CB 3.42Å; N478-A481 PolarHBondContact O-N 2.9Å; A481-F485 VanDerWaalsContact O-CB 3.27Å; A481-F485 WeakPolarHBondContact O-CB 3.34Å; A481-F485 PolarHBondContact O-N 2.66Å
482	L	96.9	Very high	97	Very high	66 Å²	66	37 Å²	37	35%	0.346	17%	0.173	S	C	.	.	H	α-helix	trans	-65.5	-45.3	-178.6	-178.4	57.7	0	0	0	112.2	L223 Q226 F480 F485 Q486	L223-L482 HydrophobicContact CD2-CD1 4.36Å; Q226-L482 HydrophobicContact CG-CD1 4.02Å; F480-L482 PolarHBondContact O-N 2.77Å; L482-F485 PolarHBondContact O-N 2.68Å; L482-Q486 HydrophobicContact CD1-CG 4.08Å; L482-Q486 HydrophobicContact CG-CG 4.44Å; L482-Q486 WeakPolarHBondContact O-CB 3.05Å; L482-Q486 VanDerWaalsContact O-CG 3.26Å; L482-Q486 WeakPolarHBondContact O-CG 3.2Å; L482-Q486 PolarHBondContact O-N 2.82Å
483	H	97.3	Very high	97	Very high	60 Å²	60	44.8 Å²	44.8	28%	0.278	21%	0.207	S	C	.	.	H	α-helix	trans	-59	-51.9	178.5	176.6	76.5	0	0	0	111.2	C455 F480 F485 Q486 E487	C455-H483 PolarHBondContact N-NE2 2.82Å; F480-H483 PolarHBondContact O-N 3.3Å; H483-F485 VanDerWaalsContact C-N 3.32Å; H483-F485 PolarHBondContact O-N 3.03Å; H483-Q486 PolarHBondContact O-N 3.17Å; H483-E487 PolarHBondContact O-N 3.49Å
484	V	98.1	Very high	96.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-43.1	-179.3	172.7	0	0	0	0	110.9	I453 A456 L459 I476 F480 E487 L488	I453-V484 HydrophobicContact CG2-CG1 3.96Å; A456-V484 HydrophobicContact CB-CG2 3.5Å; A456-V484 VanDerWaalsContact CB-CG2 3.5Å; L459-V484 HydrophobicContact CD2-CG1 4.31Å; L459-V484 HydrophobicContact CD2-CG2 3.96Å; I476-V484 HydrophobicContact CD1-CB 4.22Å; I476-V484 HydrophobicContact CD1-CG1 3.72Å; I476-V484 HydrophobicContact CG1-CG1 4.45Å; I476-V484 HydrophobicContact CG2-CB 4.36Å; I476-V484 HydrophobicContact CG2-CG2 4.07Å; F480-V484 HydrophobicContact CB-CG2 4.21Å; F480-V484 WeakPolarHBondContact O-CB 3.28Å; F480-V484 VanDerWaalsContact O-CG2 3.31Å; F480-V484 WeakPolarHBondContact O-CG2 3.5Å; F480-V484 PolarHBondContact O-N 3.25Å; V484-E487 PolarHBondContact O-N 3.43Å; V484-L488 HydrophobicContact CG1-CD1 4Å; V484-L488 WeakPolarHBondContact O-CB 3.44Å; V484-L488 VanDerWaalsContact O-CG 3.3Å; V484-L488 WeakPolarHBondContact O-CG 3.43Å; V484-L488 PolarHBondContact O-N 3.29Å
485	F	98	Very high	96.8	Very high	14 Å²	14	50.1 Å²	50.1	6%	0.061	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-45.8	176.3	176.7	-103	0	0	0	112.3	L223 Q226 F227 L419 A481 L482 H483 E487 L488 M489 L499	L223-F485 HydrophobicContact CD1-CB 3.85Å; L223-F485 HydrophobicContact CD1-CD2 3.89Å; L223-F485 HydrophobicContact CD1-CG 3.93Å; L223-F485 HydrophobicContact CD2-CB 3.49Å; L223-F485 VanDerWaalsContact CD2-CB 3.49Å; L223-F485 HydrophobicContact CD2-CD1 3.97Å; L223-F485 HydrophobicContact CD2-CD2 4.48Å; L223-F485 HydrophobicContact CD2-CG 3.72Å; L223-F485 HydrophobicContact CG-CB 4.33Å; L223-F485 HydrophobicContact CG-CG 4.41Å; Q226-F485 HydrophobicContact CB-CD1 4.28Å; Q226-F485 HydrophobicContact CB-CE1 3.67Å; Q226-F485 HydrophobicContact CB-CZ 4.34Å; Q226-F485 HydrophobicContact CG-CD1 4.25Å; Q226-F485 HydrophobicContact CG-CE1 4.02Å; F227-F485 HydrophobicContact CD2-CE2 4.33Å; F227-F485 HydrophobicContact CD2-CZ 4.24Å; F227-F485 HydrophobicContact CE2-CD2 4.14Å; F227-F485 AromaticContact CE2-CE2 3.49Å; F227-F485 HydrophobicContact CE2-CE2 3.49Å; F227-F485 VanDerWaalsContact CE2-CE2 3.49Å; F227-F485 AromaticContact CE2-CZ 3.84Å; F227-F485 HydrophobicContact CE2-CZ 3.84Å; F227-F485 HydrophobicContact CZ-CE2 4.27Å; L419-F485 HydrophobicContact CD1-CB 4.49Å; L419-F485 HydrophobicContact CD1-CD2 4.3Å; A481-F485 VanDerWaalsContact O-CB 3.27Å; A481-F485 WeakPolarHBondContact O-CB 3.34Å; A481-F485 PolarHBondContact O-N 2.66Å; L482-F485 PolarHBondContact O-N 2.68Å; H483-F485 VanDerWaalsContact C-N 3.32Å; H483-F485 PolarHBondContact O-N 3.03Å; F485-E487 VanDerWaalsContact C-N 3.33Å; F485-E487 PolarHBondContact O-N 2.91Å; F485-L488 PolarHBondContact O-N 2.72Å; F485-M489 HydrophobicContact CD1-CG 4.3Å; F485-M489 HydrophobicContact CD2-CG 4.17Å; F485-M489 HydrophobicContact CE1-CG 3.84Å; F485-M489 HydrophobicContact CE2-CG 3.7Å; F485-M489 HydrophobicContact CE2-SD 3.99Å; F485-M489 HydrophobicContact CG-CG 4.45Å; F485-M489 HydrophobicContact CZ-CG 3.53Å; F485-M489 HydrophobicContact CZ-SD 4.09Å; F485-M489 VanDerWaalsContact O-CG 3.3Å; F485-M489 WeakPolarHBondContact O-CG 3.3Å; F485-M489 PolarHBondContact O-N 3.08Å; F485-L499 HydrophobicContact CE2-CD2 3.75Å; F485-L499 HydrophobicContact CZ-CD1 4.45Å; F485-L499 HydrophobicContact CZ-CD2 4.01Å
486	Q	97.2	Very high	96.6	Very high	101 Å²	101	53.3 Å²	53.3	47%	0.472	26%	0.256	S	S	.	.	H	α-helix	trans	-61.5	-41.9	178.7	-76	173.2	-18.7	0	0	111.8	L482 H483 M489 R490	L482-Q486 HydrophobicContact CD1-CG 4.08Å; L482-Q486 HydrophobicContact CG-CG 4.44Å; L482-Q486 WeakPolarHBondContact O-CB 3.05Å; L482-Q486 VanDerWaalsContact O-CG 3.26Å; L482-Q486 WeakPolarHBondContact O-CG 3.2Å; L482-Q486 PolarHBondContact O-N 2.82Å; H483-Q486 PolarHBondContact O-N 3.17Å; Q486-M489 PolarHBondContact O-N 2.97Å; Q486-R490 WeakPolarHBondContact O-CB 3.47Å; Q486-R490 PolarHBondContact O-N 3.25Å
487	E	97.8	Very high	96.5	Very high	41 Å²	41	54.2 Å²	54.2	19%	0.192	26%	0.262	C	S	.	.	H	α-helix	trans	-66.9	-42.4	177.5	-74.9	-57.2	112.1	0	0	112.5	L433 H483 V484 F485 M489 R490 L491	L433-E487 HydrophobicContact CD1-CB 4.49Å; L433-E487 HydrophobicContact CD2-CB 3.84Å; H483-E487 PolarHBondContact O-N 3.49Å; V484-E487 PolarHBondContact O-N 3.43Å; F485-E487 VanDerWaalsContact C-N 3.33Å; F485-E487 PolarHBondContact O-N 2.91Å; E487-M489 VanDerWaalsContact C-N 3.34Å; E487-M489 PolarHBondContact O-N 3.19Å; E487-R490 PolarHBondContact O-N 3.16Å; E487-R490 IonicContact OE1-CZ 3.8Å; E487-R490 IonicContact OE1-NE 3.96Å; E487-R490 PolarHBondContact OE1-NE 2.76Å; E487-R490 VanDerWaalsContact OE1-NE 3.08Å; E487-R490 IonicContact OE1-NH2 3.24Å; E487-R490 IonicContact OE2-CZ 2.97Å; E487-R490 IonicContact OE2-NE 3.4Å; E487-R490 PolarHBondContact OE2-NE 3.23Å; E487-R490 IonicContact OE2-NH2 2.61Å; E487-R490 PolarHBondContact OE2-NH2 3.4Å; E487-L491 PolarHBondContact O-N 3.22Å
488	L	97.7	Very high	96.5	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58	-46.1	172.5	-75.6	168.2	0	0	0	111.5	I302 L419 V421 L429 L430 L433 L474 V484 F485 G492	I302-L488 HydrophobicContact CD1-CD1 4.42Å; L419-L488 HydrophobicContact CD1-CD1 4.01Å; V421-L488 HydrophobicContact CG2-CD1 4.26Å; V421-L488 HydrophobicContact CG2-CD2 4.23Å; L429-L488 HydrophobicContact CD2-CD2 4.13Å; L429-L488 HydrophobicContact CG-CD2 4.26Å; L430-L488 HydrophobicContact CD2-CD2 3.78Å; L433-L488 HydrophobicContact CD1-CD2 3.7Å; L433-L488 HydrophobicContact CD1-CG 4.11Å; L474-L488 HydrophobicContact CD1-CD1 4.45Å; V484-L488 HydrophobicContact CG1-CD1 4Å; V484-L488 WeakPolarHBondContact O-CB 3.44Å; V484-L488 VanDerWaalsContact O-CG 3.3Å; V484-L488 WeakPolarHBondContact O-CG 3.43Å; V484-L488 PolarHBondContact O-N 3.29Å; F485-L488 PolarHBondContact O-N 2.72Å; L488-G492 VanDerWaalsContact O-CA 3.25Å; L488-G492 WeakPolarHBondContact O-CA 3.42Å; L488-G492 PolarHBondContact O-N 2.68Å
489	M	97.2	Very high	96.6	Very high	48 Å²	48	53 Å²	53	24%	0.236	25%	0.253	C	S	.	.	H	α-helix	trans	-71.1	-31.8	179.2	-66.4	-54	-64	0	0	112.5	I302 F485 Q486 E487 K493 V497 L499	I302-M489 HydrophobicContact CG1-SD 4.32Å; F485-M489 HydrophobicContact CD1-CG 4.3Å; F485-M489 HydrophobicContact CD2-CG 4.17Å; F485-M489 HydrophobicContact CE1-CG 3.84Å; F485-M489 HydrophobicContact CE2-CG 3.7Å; F485-M489 HydrophobicContact CE2-SD 3.99Å; F485-M489 HydrophobicContact CG-CG 4.45Å; F485-M489 HydrophobicContact CZ-CG 3.53Å; F485-M489 HydrophobicContact CZ-SD 4.09Å; F485-M489 VanDerWaalsContact O-CG 3.3Å; F485-M489 WeakPolarHBondContact O-CG 3.3Å; F485-M489 PolarHBondContact O-N 3.08Å; Q486-M489 PolarHBondContact O-N 2.97Å; E487-M489 VanDerWaalsContact C-N 3.34Å; E487-M489 PolarHBondContact O-N 3.19Å; M489-K493 WeakPolarHBondContact O-CG 3.28Å; M489-V497 HydrophobicContact CE-CG1 4.01Å; M489-V497 HydrophobicContact SD-CG1 4.2Å; M489-V497 HydrophobicContact SD-CG2 4.28Å; M489-L499 HydrophobicContact CE-CD2 4.12Å; M489-L499 HydrophobicContact CE-CG 4.35Å; M489-L499 HydrophobicContact SD-CD2 3.73Å
490	R	97.2	Very high	96.7	Very high	128 Å²	128	46.4 Å²	46.4	48%	0.483	22%	0.222	S	C	.	.	H	α-helix	trans	-70.9	-54.3	-179.9	-174.6	-173.9	67.6	71.2	2.3	111.3	Q486 E487	Q486-R490 WeakPolarHBondContact O-CB 3.47Å; Q486-R490 PolarHBondContact O-N 3.25Å; E487-R490 PolarHBondContact O-N 3.16Å; E487-R490 IonicContact OE1-CZ 3.8Å; E487-R490 IonicContact OE1-NE 3.96Å; E487-R490 PolarHBondContact OE1-NE 2.76Å; E487-R490 VanDerWaalsContact OE1-NE 3.08Å; E487-R490 IonicContact OE1-NH2 3.24Å; E487-R490 IonicContact OE2-CZ 2.97Å; E487-R490 IonicContact OE2-NE 3.4Å; E487-R490 PolarHBondContact OE2-NE 3.23Å; E487-R490 IonicContact OE2-NH2 2.61Å; E487-R490 PolarHBondContact OE2-NH2 3.4Å
491	L	96.4	Very high	96.6	Very high	28 Å²	28	43.3 Å²	43.3	15%	0.147	21%	0.209	C	C	.	.	H	α-helix	trans	-73.8	-33.5	178.2	-69.2	-174.7	0	0	0	111.8	L429 E432 L433 E487 K493 S494	L429-L491 HydrophobicContact CD1-CB 3.74Å; E432-L491 HydrophobicContact CB-CD1 3.89Å; L433-L491 HydrophobicContact CD2-CD1 3.33Å; L433-L491 HydrophobicContact CD2-CG 4.28Å; L433-L491 HydrophobicContact CG-CD1 3.74Å; E487-L491 PolarHBondContact O-N 3.22Å; L491-K493 PolarHBondContact O-N 3.47Å; L491-S494 PolarHBondContact O-N 3.11Å; L491-S494 PolarHBondContact O-OG 3.26Å
492	G	95.9	Very high	96.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-61.4	-15.6	179.2	0	0	0	0	0	114.4	L488 S494 Y495 D496 V497	L488-G492 VanDerWaalsContact O-CA 3.25Å; L488-G492 WeakPolarHBondContact O-CA 3.42Å; L488-G492 PolarHBondContact O-N 2.68Å; G492-S494 VanDerWaalsContact C-N 3.28Å; G492-S494 PolarHBondContact O-N 3.16Å; G492-Y495 CarbonylContact O-C 3.54Å; G492-Y495 WeakPolarHBondContact O-CA 3.25Å; G492-Y495 PolarHBondContact O-N 3.23Å; G492-D496 PolarHBondContact O-N 3.33Å; G492-D496 VanDerWaalsContact O-N 3.14Å; G492-V497 VanDerWaalsContact O-CB 3.32Å; G492-V497 WeakPolarHBondContact O-CB 3.43Å; G492-V497 WeakPolarHBondContact O-CG1 3.23Å; G492-V497 PolarHBondContact O-N 2.93Å
493	K	95.2	Very high	96.5	Very high	166 Å²	166	42.9 Å²	42.9	72%	0.722	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-56.4	-39.7	174.6	-72.6	-178.3	-177.8	-179.6	0	112.9	M489 L491 Y495 D496	M489-K493 WeakPolarHBondContact O-CG 3.28Å; L491-K493 PolarHBondContact O-N 3.47Å; K493-Y495 PolarHBondContact O-N 2.94Å; K493-D496 PolarHBondContact O-N 2.79Å
494	S	94.7	Very high	96.4	Very high	78 Å²	78	40 Å²	40	55%	0.545	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-68.1	-18.5	177.7	56.8	0	0	0	0	112.8	L491 G492	L491-S494 PolarHBondContact O-N 3.11Å; L491-S494 PolarHBondContact O-OG 3.26Å; G492-S494 VanDerWaalsContact C-N 3.28Å; G492-S494 PolarHBondContact O-N 3.16Å
495	Y	94.4	Very high	96.3	Very high	34 Å²	34	41 Å²	41	13%	0.133	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-101.8	5.3	178.2	-62.4	-80	0	0	0	113.1	T425 L428 L429 E432 G492 K493 Y661	T425-Y495 HydrophobicContact CG2-CD1 4.25Å; L428-Y495 HydrophobicContact CB-CD1 4.5Å; L428-Y495 HydrophobicContact CB-CE1 3.61Å; L428-Y495 HydrophobicContact CD1-CE1 4.06Å; L429-Y495 HydrophobicContact CB-CD2 4.14Å; L429-Y495 HydrophobicContact CB-CE2 4.33Å; L429-Y495 HydrophobicContact CD1-CD2 4.13Å; L429-Y495 HydrophobicContact CD1-CE2 4.38Å; E432-Y495 VanDerWaalsContact OE1-CE2 3.26Å; E432-Y495 WeakPolarHBondContact OE1-CE2 3.21Å; E432-Y495 VanDerWaalsContact OE1-CZ 3.27Å; E432-Y495 PolarHBondContact OE1-OH 3.11Å; G492-Y495 CarbonylContact O-C 3.54Å; G492-Y495 WeakPolarHBondContact O-CA 3.25Å; G492-Y495 PolarHBondContact O-N 3.23Å; K493-Y495 PolarHBondContact O-N 2.94Å; Y495-Y661 PolarHBondContact O-OH 2.9Å
496	D	93.8	Very high	96.1	Very high	74 Å²	74	41.9 Å²	41.9	40%	0.396	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	53	-172.1	-172.2	38.7	0	0	0	112.4	R299 G492 K493	R299-D496 WeakPolarHBondContact CD-OD2 3.4Å; R299-D496 IonicContact CZ-OD2 2.84Å; R299-D496 IonicContact NE-OD2 3.8Å; R299-D496 PolarHBondContact NE-OD2 2.59Å; R299-D496 IonicContact NH1-OD2 2.81Å; R299-D496 IonicContact NH2-OD2 2.82Å; R299-D496 PolarHBondContact NH2-OD2 2.95Å; G492-D496 PolarHBondContact O-N 3.33Å; G492-D496 VanDerWaalsContact O-N 3.14Å; K493-D496 PolarHBondContact O-N 2.79Å
497	V	96.2	Very high	96	Very high	19 Å²	19	37.3 Å²	37.3	12%	0.115	18%	0.181	C	C	.	.			trans	-62.2	135.6	178.4	69.2	0	0	0	0	111.9	V300 I302 M489 G492	V300-V497 HydrophobicContact CG1-CB 3.9Å; V300-V497 HydrophobicContact CG1-CG2 4.04Å; V300-V497 WeakPolarHBondContact O-CA 3.34Å; I302-V497 HydrophobicContact CD1-CG2 4.21Å; I302-V497 HydrophobicContact CG1-CG2 3.61Å; M489-V497 HydrophobicContact CE-CG1 4.01Å; M489-V497 HydrophobicContact SD-CG1 4.2Å; M489-V497 HydrophobicContact SD-CG2 4.28Å; G492-V497 VanDerWaalsContact O-CB 3.32Å; G492-V497 WeakPolarHBondContact O-CB 3.43Å; G492-V497 WeakPolarHBondContact O-CG1 3.23Å; G492-V497 PolarHBondContact O-N 2.93Å
498	Q	96.6	Very high	95.9	Very high	37 Å²	37	35.4 Å²	35.4	17%	0.173	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149.4	176.5	-164.1	173.5	-39.6	0	0	111.4	S291 A295 V300 A301 I302	S291-Q498 PolarHBondContact OG-NE2 3.43Å; S291-Q498 PolarHBondContact OG-OE1 3.13Å; A295-Q498 HydrophobicContact CB-CB 3.71Å; A295-Q498 HydrophobicContact CB-CG 4.42Å; V300-Q498 PolarHBondContact O-N 3.12Å; V300-Q498 VanDerWaalsContact O-N 3.17Å; A301-Q498 CarbonylContact C-O 3.49Å; A301-Q498 WeakPolarHBondContact CA-O 3.28Å; I302-Q498 PolarHBondContact N-O 2.89Å
499	L	98	Very high	95.7	Very high	15 Å²	15	35.8 Å²	35.8	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	144.5	167.6	-56.8	-179.4	0	0	0	109.9	F227 A230 F246 I302 F485 M489	F227-L499 HydrophobicContact CD2-CD1 4.49Å; F227-L499 HydrophobicContact CE2-CD2 4.38Å; F227-L499 HydrophobicContact CZ-CD2 4.27Å; A230-L499 HydrophobicContact CB-CD1 3.5Å; F246-L499 HydrophobicContact CD1-CB 4.01Å; F246-L499 HydrophobicContact CD1-CD1 4.05Å; F246-L499 HydrophobicContact CD2-CB 3.95Å; F246-L499 HydrophobicContact CE1-CB 3.64Å; F246-L499 HydrophobicContact CE1-CD1 3.39Å; F246-L499 HydrophobicContact CE1-CG 4.16Å; F246-L499 HydrophobicContact CE2-CB 3.59Å; F246-L499 HydrophobicContact CG-CB 4.15Å; F246-L499 HydrophobicContact CZ-CB 3.42Å; F246-L499 VanDerWaalsContact CZ-CB 3.42Å; F246-L499 HydrophobicContact CZ-CD1 3.82Å; F246-L499 HydrophobicContact CZ-CG 4.23Å; I302-L499 HydrophobicContact CB-CD2 4.01Å; I302-L499 WeakPolarHBondContact O-CA 3.47Å; F485-L499 HydrophobicContact CE2-CD2 3.75Å; F485-L499 HydrophobicContact CZ-CD1 4.45Å; F485-L499 HydrophobicContact CZ-CD2 4.01Å; M489-L499 HydrophobicContact CE-CD2 4.12Å; M489-L499 HydrophobicContact CE-CG 4.35Å; M489-L499 HydrophobicContact SD-CD2 3.73Å
500	C	97.2	Very high	95.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.			trans	-134.1	147.3	175.3	64.5	0	0	0	0	112.8	E292 A301 I302 M303	E292-C500 HydrophobicContact CB-CB 3.85Å; E292-C500 HydrophobicContact CG-CB 4.16Å; A301-C500 HydrophobicContact CB-CB 4.08Å; A301-C500 VanDerWaalsContact CB-SG 3.56Å; I302-C500 PolarHBondContact O-N 2.67Å; M303-C500 HydrophobicContact CE-CB 4.34Å; M303-C500 VanDerWaalsContact CE-SG 3.56Å
501	G	96.5	Very high	95.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	14%	0.14	C	C	.	.			trans	-109.7	174.5	-175.6	0	0	0	0	0	113.7	A243 L244 E292 M303 Y503 A504 F505	A243-G501 VanDerWaalsContact O-CA 3.3Å; A243-G501 WeakPolarHBondContact O-CA 3.35Å; L244-G501 CarbonylContact O-C 3.59Å; L244-G501 WeakPolarHBondContact O-CA 3.45Å; E292-G501 PolarHBondContact OE2-N 3.23Å; M303-G501 WeakPolarHBondContact CE-O 3.2Å; G501-Y503 PolarHBondContact O-N 3.18Å; G501-Y503 VanDerWaalsContact O-N 3.12Å; G501-A504 PolarHBondContact O-N 2.79Å; G501-F505 PolarHBondContact O-N 2.8Å
502	L	95.3	Very high	95.2	Very high	28 Å²	28	27 Å²	27	15%	0.147	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-22.6	-173.7	-68.8	176.5	0	0	0	114.8	Q242 A243 L244 F505 N506	Q242-L502 HydrophobicContact CB-CD1 3.72Å; Q242-L502 HydrophobicContact CG-CD1 4.44Å; A243-L502 PolarHBondContact O-N 2.67Å; L244-L502 HydrophobicContact CD2-CB 4.5Å; L244-L502 HydrophobicContact CD2-CD1 4.34Å; L244-L502 PolarHBondContact O-N 3.05Å; L502-F505 WeakPolarHBondContact O-CB 3.12Å; L502-N506 WeakPolarHBondContact O-CB 3.27Å; L502-N506 VanDerWaalsContact O-CG 3.32Å; L502-N506 PolarHBondContact O-N 3.48Å; L502-N506 PolarHBondContact O-ND2 3.19Å
503	Y	95.6	Very high	95.1	Very high	28 Å²	28	27.1 Å²	27.1	11%	0.11	14%	0.137	C	C	.	.	H	α-helix	trans	-73.2	-40.6	177	-69.2	-6.3	0	0	0	112.1	L209 L244 Y245 W285 V289 G501 F505 N506 S507	L209-Y503 HydrophobicContact CD2-CE1 4.46Å; L244-Y503 HydrophobicContact CB-CD1 4.35Å; L244-Y503 HydrophobicContact CB-CD2 4.41Å; L244-Y503 HydrophobicContact CB-CE1 4.1Å; L244-Y503 HydrophobicContact CB-CE2 4.16Å; L244-Y503 HydrophobicContact CD1-CE1 4.47Å; L244-Y503 HydrophobicContact CD2-CD1 4.45Å; L244-Y503 HydrophobicContact CD2-CE1 3.88Å; L244-Y503 HydrophobicContact CG-CE1 4.37Å; L244-Y503 WeakPolarHBondContact O-CB 3.17Å; L244-Y503 PolarHBondContact O-N 3.36Å; Y245-Y503 AromaticContact CD1-CD2 3.84Å; Y245-Y503 HydrophobicContact CD1-CD2 3.84Å; Y245-Y503 AromaticContact CD1-CE2 3.85Å; Y245-Y503 HydrophobicContact CD1-CE2 3.85Å; Y245-Y503 HydrophobicContact CE1-CE2 4.22Å; W285-Y503 AromaticContact CD1-CE2 3.86Å; W285-Y503 AromaticContact CD2-CD2 3.64Å; W285-Y503 HydrophobicContact CD2-CD2 3.64Å; W285-Y503 AromaticContact CD2-CE2 3.87Å; W285-Y503 HydrophobicContact CD2-CE2 3.87Å; W285-Y503 AromaticContact CE2-CD2 3.65Å; W285-Y503 AromaticContact CE2-CE2 3.53Å; W285-Y503 AromaticContact CE3-CD2 3.91Å; W285-Y503 HydrophobicContact CE3-CD2 3.91Å; W285-Y503 HydrophobicContact CG-CD2 4.11Å; W285-Y503 HydrophobicContact CG-CE2 4.07Å; W285-Y503 HydrophobicContact CH2-CD2 4.21Å; W285-Y503 AromaticContact CZ2-CD2 3.95Å; W285-Y503 HydrophobicContact CZ2-CD2 3.95Å; W285-Y503 AromaticContact CZ2-CE2 3.99Å; W285-Y503 HydrophobicContact CZ2-CE2 3.99Å; W285-Y503 HydrophobicContact CZ3-CD2 4.19Å; W285-Y503 AromaticContact NE1-CE2 3.52Å; V289-Y503 HydrophobicContact CG2-CD2 4.13Å; V289-Y503 HydrophobicContact CG2-CG 4.4Å; G501-Y503 PolarHBondContact O-N 3.18Å; G501-Y503 VanDerWaalsContact O-N 3.12Å; Y503-F505 VanDerWaalsContact C-N 3.34Å; Y503-N506 PolarHBondContact O-N 3.32Å; Y503-S507 PolarHBondContact O-N 3.1Å; Y503-S507 PolarHBondContact O-OG 3.39Å
504	A	96.3	Very high	95	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64	-43.1	171	0	0	0	0	0	110.5	V289 E292 G501 N506 S507 L508	V289-A504 HydrophobicContact CG1-CB 4.21Å; E292-A504 HydrophobicContact CB-CB 3.67Å; G501-A504 PolarHBondContact O-N 2.79Å; A504-N506 VanDerWaalsContact C-N 3.33Å; A504-N506 PolarHBondContact O-N 2.93Å; A504-S507 PolarHBondContact O-N 2.75Å; A504-S507 VanDerWaalsContact O-N 3.16Å; A504-L508 WeakPolarHBondContact O-CG 3.49Å; A504-L508 PolarHBondContact O-N 3.07Å
505	F	95.3	Very high	94.9	Very high	21 Å²	21	19.7 Å²	19.7	9%	0.092	10%	0.096	C	C	.	.	H	α-helix	trans	-54.2	-46.9	173.1	-176.4	-96.5	0	0	0	112.8	M303 H466 C467 G501 L502 Y503 S507 L508 R509	M303-F505 HydrophobicContact CE-CB 3.52Å; M303-F505 HydrophobicContact CE-CD2 4.19Å; M303-F505 HydrophobicContact CE-CG 4.26Å; M303-F505 HydrophobicContact SD-CB 3.95Å; M303-F505 HydrophobicContact SD-CD2 3.64Å; M303-F505 HydrophobicContact SD-CG 4.06Å; H466-F505 HydrophobicContact CB-CE2 3.81Å; H466-F505 HydrophobicContact CB-CZ 3.59Å; C467-F505 HydrophobicContact CB-CD2 3.6Å; C467-F505 HydrophobicContact CB-CE2 3.5Å; C467-F505 HydrophobicContact CB-CG 4.41Å; C467-F505 HydrophobicContact CB-CZ 4.24Å; G501-F505 PolarHBondContact O-N 2.8Å; L502-F505 WeakPolarHBondContact O-CB 3.12Å; Y503-F505 VanDerWaalsContact C-N 3.34Å; F505-S507 VanDerWaalsContact C-N 3.34Å; F505-S507 PolarHBondContact O-N 2.86Å; F505-L508 PolarHBondContact O-N 3.21Å; F505-R509 HydrophobicContact CE1-CG 4.45Å; F505-R509 WeakPolarHBondContact O-CG 3.33Å; F505-R509 PolarHBondContact O-N 3.23Å
506	N	94.2	Very high	94.8	Very high	32 Å²	32	22.4 Å²	22.4	17%	0.171	11%	0.106	C	C	.	.	H	α-helix	trans	-64.7	-38.4	179	-80.2	-31.9	0	0	0	111.8	L502 Y503 A504 R509 I510 R516	L502-N506 WeakPolarHBondContact O-CB 3.27Å; L502-N506 VanDerWaalsContact O-CG 3.32Å; L502-N506 PolarHBondContact O-N 3.48Å; L502-N506 PolarHBondContact O-ND2 3.19Å; Y503-N506 PolarHBondContact O-N 3.32Å; A504-N506 VanDerWaalsContact C-N 3.33Å; A504-N506 PolarHBondContact O-N 2.93Å; N506-R509 WeakPolarHBondContact O-CG 3.16Å; N506-I510 VanDerWaalsContact O-CB 3.3Å; N506-I510 WeakPolarHBondContact O-CB 3.25Å; N506-I510 WeakPolarHBondContact O-CD1 3.46Å; N506-I510 WeakPolarHBondContact O-CG1 3.35Å; N506-I510 PolarHBondContact O-N 3.05Å; N506-R516 PolarHBondContact ND2-NH1 2.98Å; N506-R516 PolarHBondContact OD1-NH1 3.25Å
507	S	95.6	Very high	94.8	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.042	9%	0.089	C	C	.	.	H	α-helix	trans	-63.7	-49.3	175.9	-59.6	0	0	0	0	111.3	Y503 A504 F505 R509 I510 E511	Y503-S507 PolarHBondContact O-N 3.1Å; Y503-S507 PolarHBondContact O-OG 3.39Å; A504-S507 PolarHBondContact O-N 2.75Å; A504-S507 VanDerWaalsContact O-N 3.16Å; F505-S507 VanDerWaalsContact C-N 3.34Å; F505-S507 PolarHBondContact O-N 2.86Å; S507-R509 PolarHBondContact O-N 2.73Å; S507-I510 PolarHBondContact O-N 3.03Å; S507-E511 WeakPolarHBondContact O-CB 3.16Å; S507-E511 PolarHBondContact O-N 2.75Å
508	L	95	Very high	94.5	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-55.4	-49.4	178.2	-67.5	163.3	0	0	0	112.1	Y293 C296 R297 C467 E469 A504 F505 K512	Y293-L508 HydrophobicContact CD2-CD2 3.56Å; Y293-L508 HydrophobicContact CD2-CG 3.75Å; Y293-L508 HydrophobicContact CE2-CD2 3.35Å; Y293-L508 HydrophobicContact CE2-CG 3.85Å; Y293-L508 HydrophobicContact CG-CD2 4.32Å; C296-L508 HydrophobicContact CB-CD1 3.68Å; C296-L508 HydrophobicContact CB-CD2 4.27Å; R297-L508 HydrophobicContact CG-CD2 3.93Å; C467-L508 HydrophobicContact CB-CB 3.88Å; C467-L508 HydrophobicContact CB-CD1 4.29Å; E469-L508 HydrophobicContact CG-CD1 4.2Å; E469-L508 HydrophobicContact CG-CD2 3.95Å; E469-L508 WeakPolarHBondContact OE1-CD2 3.34Å; A504-L508 WeakPolarHBondContact O-CG 3.49Å; A504-L508 PolarHBondContact O-N 3.07Å; F505-L508 PolarHBondContact O-N 3.21Å; L508-K512 PolarHBondContact O-N 2.85Å; L508-K512 VanDerWaalsContact O-N 3.11Å
509	R	94	Very high	94.3	Very high	7 Å²	7	20.3 Å²	20.3	3%	0.026	10%	0.103	C	C	.	.	H	α-helix	trans	-70	-36	-177.1	76.2	85.2	-176.8	171.6	-1.2	111.9	F505 N506 S507 K512 F513 F514 D520 S592	F505-R509 HydrophobicContact CE1-CG 4.45Å; F505-R509 WeakPolarHBondContact O-CG 3.33Å; F505-R509 PolarHBondContact O-N 3.23Å; N506-R509 WeakPolarHBondContact O-CG 3.16Å; S507-R509 PolarHBondContact O-N 2.73Å; R509-K512 PolarHBondContact O-N 3.37Å; R509-F513 PolarHBondContact O-N 3.3Å; R509-F513 VanDerWaalsContact O-N 3.14Å; R509-F514 HydrophobicContact CB-CB 4.02Å; R509-F514 WeakPolarHBondContact CD-O 3.35Å; R509-F514 PolarHBondContact NH1-O 3.37Å; R509-F514 WeakPolarHBondContact O-CB 3.45Å; R509-F514 PolarHBondContact O-N 2.92Å; R509-D520 IonicContact CZ-OD2 3.14Å; R509-D520 IonicContact NH1-OD1 3.69Å; R509-D520 IonicContact NH1-OD2 2.78Å; R509-D520 PolarHBondContact NH1-OD2 3.21Å; R509-D520 IonicContact NH2-OD2 2.67Å; R509-S592 PolarHBondContact NH1-OG 2.86Å; R509-S592 VanDerWaalsContact NH2-CB 3.27Å; R509-S592 PolarHBondContact NH2-OG 3.41Å
510	I	95.2	Very high	94.1	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.015	10%	0.099	C	C	.	.	H	α-helix	trans	-67.5	-43.1	179.1	-75.5	167.6	0	0	0	110.4	N506 S507 K512 F513 Q560 A593 A594 V603 L605	N506-I510 VanDerWaalsContact O-CB 3.3Å; N506-I510 WeakPolarHBondContact O-CB 3.25Å; N506-I510 WeakPolarHBondContact O-CD1 3.46Å; N506-I510 WeakPolarHBondContact O-CG1 3.35Å; N506-I510 PolarHBondContact O-N 3.05Å; S507-I510 PolarHBondContact O-N 3.03Å; I510-K512 VanDerWaalsContact C-N 3.32Å; I510-K512 PolarHBondContact O-N 3.05Å; I510-F513 WeakPolarHBondContact O-CA 3.43Å; I510-F513 PolarHBondContact O-N 3.38Å; I510-Q560 PolarHBondContact O-NE2 3.02Å; I510-Q560 VanDerWaalsContact O-NE2 3.11Å; I510-A593 WeakPolarHBondContact CD1-O 3.28Å; I510-A594 HydrophobicContact CB-CB 4.34Å; I510-A594 HydrophobicContact CD1-CB 3.55Å; I510-A594 HydrophobicContact CG2-CB 4.39Å; I510-V603 HydrophobicContact CG2-CB 4.07Å; I510-V603 HydrophobicContact CG2-CG1 3.71Å; I510-L605 HydrophobicContact CG1-CD1 4.3Å; I510-L605 HydrophobicContact CG1-CG 4.44Å; I510-L605 HydrophobicContact CG2-CD2 4.18Å; I510-L605 HydrophobicContact CG2-CG 4.13Å
511	E	93.6	Very high	93.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-63.1	-40	178.4	-165.8	163.9	-161.5	0	0	111.9	Y293 S507 F513 Q560 A596 T598 L599 L650	Y293-E511 WeakPolarHBondContact CE2-OE2 3.47Å; Y293-E511 VanDerWaalsContact OH-CD 3.27Å; Y293-E511 PolarHBondContact OH-OE2 2.56Å; S507-E511 WeakPolarHBondContact O-CB 3.16Å; S507-E511 PolarHBondContact O-N 2.75Å; E511-F513 PolarHBondContact O-N 3.37Å; E511-Q560 PolarHBondContact O-NE2 3.14Å; E511-Q560 VanDerWaalsContact O-NE2 3.1Å; E511-A596 HydrophobicContact CB-CB 4.18Å; E511-A596 HydrophobicContact CG-CB 3.77Å; E511-T598 WeakPolarHBondContact OE1-CA 3.24Å; E511-T598 WeakPolarHBondContact OE1-CB 3.16Å; E511-T598 PolarHBondContact OE1-N 3.09Å; E511-L599 HydrophobicContact CG-CD1 3.92Å; E511-L599 HydrophobicContact CG-CG 4.09Å; E511-L599 WeakPolarHBondContact OE1-CG 3.47Å; E511-L599 PolarHBondContact OE1-N 3.38Å; E511-L650 HydrophobicContact CB-CD1 4.42Å; E511-L650 HydrophobicContact CG-CD1 3.8Å; E511-L650 HydrophobicContact CG-CD2 4.01Å
512	K	91.8	Very high	93.7	Very high	16 Å²	16	20.5 Å²	20.5	7%	0.07	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	0.6	172.2	-76.6	177.1	171.4	170.7	0	114.6	C467 G468 E469 L508 R509 I510 F514 S647 L650	C467-K512 WeakPolarHBondContact O-CD 3.35Å; G468-K512 PolarHBondContact O-NZ 2.87Å; E469-K512 WeakPolarHBondContact OE1-CE 3.17Å; E469-K512 IonicContact OE1-NZ 3.98Å; E469-K512 PolarHBondContact OE1-NZ 2.8Å; E469-K512 IonicContact OE2-NZ 3.43Å; E469-K512 PolarHBondContact OE2-NZ 2.89Å; L508-K512 PolarHBondContact O-N 2.85Å; L508-K512 VanDerWaalsContact O-N 3.11Å; R509-K512 PolarHBondContact O-N 3.37Å; I510-K512 VanDerWaalsContact C-N 3.32Å; I510-K512 PolarHBondContact O-N 3.05Å; K512-F514 VanDerWaalsContact C-N 3.31Å; K512-F514 HydrophobicContact CB-CD1 4.03Å; K512-F514 HydrophobicContact CB-CE1 4.07Å; K512-F514 HydrophobicContact CB-CG 4.42Å; K512-F514 WeakPolarHBondContact O-CD1 3.35Å; K512-F514 PolarHBondContact O-N 3.09Å; K512-S647 WeakPolarHBondContact O-CB 3.29Å; K512-S647 PolarHBondContact O-OG 2.67Å; K512-L650 HydrophobicContact CG-CD1 3.67Å
513	F	93.4	Very high	93.4	Very high	3 Å²	3	20.1 Å²	20.1	1%	0.013	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	34.4	179.6	-165.6	-151.3	0	0	0	114.1	R509 I510 E511 R532 F558 V559 Q560 L605 L645	R509-F513 PolarHBondContact O-N 3.3Å; R509-F513 VanDerWaalsContact O-N 3.14Å; I510-F513 WeakPolarHBondContact O-CA 3.43Å; I510-F513 PolarHBondContact O-N 3.38Å; E511-F513 PolarHBondContact O-N 3.37Å; F513-R532 PolarHBondContact O-NH2 3.28Å; F513-F558 HydrophobicContact CD2-CD1 4.21Å; F513-F558 AromaticContact CD2-CE1 3.64Å; F513-F558 HydrophobicContact CD2-CE1 3.64Å; F513-F558 HydrophobicContact CD2-CZ 4.45Å; F513-F558 HydrophobicContact CE1-CD1 4.47Å; F513-F558 AromaticContact CE2-CD1 3.31Å; F513-F558 HydrophobicContact CE2-CD1 3.31Å; F513-F558 AromaticContact CE2-CE1 3.1Å; F513-F558 HydrophobicContact CE2-CE1 3.1Å; F513-F558 HydrophobicContact CE2-CG 4.28Å; F513-F558 AromaticContact CE2-CZ 3.96Å; F513-F558 HydrophobicContact CE2-CZ 3.96Å; F513-F558 AromaticContact CZ-CD1 3.47Å; F513-F558 HydrophobicContact CZ-CD1 3.47Å; F513-F558 VanDerWaalsContact CZ-CD1 3.47Å; F513-F558 AromaticContact CZ-CE1 3.79Å; F513-F558 HydrophobicContact CZ-CE1 3.79Å; F513-F558 HydrophobicContact CZ-CG 4.36Å; F513-V559 VanDerWaalsContact CE2-C 3.45Å; F513-Q560 HydrophobicContact CD2-CB 3.78Å; F513-Q560 HydrophobicContact CE2-CB 3.76Å; F513-Q560 HydrophobicContact CG-CB 4.19Å; F513-Q560 HydrophobicContact CZ-CB 4.2Å; F513-L605 HydrophobicContact CD2-CD1 4.15Å; F513-L605 HydrophobicContact CD2-CD2 3.51Å; F513-L605 HydrophobicContact CD2-CG 4.39Å; F513-L605 HydrophobicContact CE2-CD2 3.92Å; F513-L645 WeakPolarHBondContact CE1-O 3.42Å
514	F	91.9	Very high	93.1	Very high	67 Å²	67	20.8 Å²	20.8	29%	0.294	11%	0.113	S	C	.	.			trans	-84.5	135.9	176.3	-73.9	11.4	0	0	0	110.9	G468 R509 K512	G468-F514 VanDerWaalsContact CA-CE2 3.42Å; R509-F514 HydrophobicContact CB-CB 4.02Å; R509-F514 WeakPolarHBondContact CD-O 3.35Å; R509-F514 PolarHBondContact NH1-O 3.37Å; R509-F514 WeakPolarHBondContact O-CB 3.45Å; R509-F514 PolarHBondContact O-N 2.92Å; K512-F514 VanDerWaalsContact C-N 3.31Å; K512-F514 HydrophobicContact CB-CD1 4.03Å; K512-F514 HydrophobicContact CB-CE1 4.07Å; K512-F514 HydrophobicContact CB-CG 4.42Å; K512-F514 WeakPolarHBondContact O-CD1 3.35Å; K512-F514 PolarHBondContact O-N 3.09Å
515	V	92.9	Very high	92.9	Very high	20 Å²	20	20.8 Å²	20.8	12%	0.121	11%	0.113	C	C	.	.			trans	-82	148.9	178.2	-66.4	0	0	0	0	110.7	D520 I521 F558	V515-D520 HydrophobicContact CB-CB 3.98Å; V515-D520 HydrophobicContact CG1-CB 4.1Å; V515-I521 HydrophobicContact CB-CD1 4.39Å; V515-I521 HydrophobicContact CB-CG2 3.99Å; V515-I521 HydrophobicContact CG1-CG2 3.99Å; V515-I521 HydrophobicContact CG2-CD1 3.88Å; V515-I521 HydrophobicContact CG2-CG2 4.31Å; V515-F558 HydrophobicContact CG1-CD1 4Å; V515-F558 HydrophobicContact CG1-CE1 3.43Å; V515-F558 VanDerWaalsContact CG1-CE1 3.43Å; V515-F558 HydrophobicContact CG1-CZ 3.76Å
516	R	92.6	Very high	92.8	Very high	91 Å²	91	20 Å²	20	34%	0.343	11%	0.109	S	C	.	.			trans	-117.8	126.9	169.2	-178.2	172.8	67.8	-178.3	2.3	109.7	N506 V519 D520 I521	N506-R516 PolarHBondContact ND2-NH1 2.98Å; N506-R516 PolarHBondContact OD1-NH1 3.25Å; R516-V519 HydrophobicContact CB-CB 4.45Å; R516-V519 HydrophobicContact CG-CG2 4.5Å; R516-V519 VanDerWaalsContact NE-CG2 3.31Å; R516-V519 PolarHBondContact O-N 3.3Å; R516-D520 PolarHBondContact N-OD2 3.16Å; R516-D520 PolarHBondContact O-N 3.27Å; R516-I521 PolarHBondContact O-N 3.2Å
517	W	93.8	Very high	92.7	Very high	10 Å²	10	18.4 Å²	18.4	4%	0.038	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-64	141	174.2	-169.3	99.7	0	0	0	111.5	Y372 V373 D375 Q389 V519 I521	Y372-W517 PolarHBondContact O-NE1 2.98Å; V373-W517 WeakPolarHBondContact O-CZ2 3.41Å; V373-W517 PolarHBondContact O-NE1 3.42Å; D375-W517 HydrophobicContact CB-CB 4.28Å; Q389-W517 HydrophobicContact CG-CD2 4.32Å; Q389-W517 HydrophobicContact CG-CE3 3.86Å; Q389-W517 HydrophobicContact CG-CZ3 4.18Å; Q389-W517 VanDerWaalsContact NE2-CZ3 3.3Å; W517-V519 PolarHBondContact O-N 3.39Å; W517-I521 CarbonylContact C-O 3.54Å; W517-I521 WeakPolarHBondContact CA-O 3.4Å; W517-I521 HydrophobicContact CB-CD1 4.36Å; W517-I521 HydrophobicContact CB-CG1 4.06Å; W517-I521 HydrophobicContact CG-CG1 4.33Å
518	G	89.3	Confident	92.5	Very high	27 Å²	27	19 Å²	19	28%	0.278	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-1.7	-176	0	0	0	0	0	113.5	I521	G518-I521 PolarHBondContact N-O 3.15Å
519	V	92.1	Very high	92.4	Very high	49 Å²	49	19.1 Å²	19.1	30%	0.297	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.5	-64.9	-179.4	-177.8	0	0	0	0	110.7	R516 W517 T591 S592	R516-V519 HydrophobicContact CB-CB 4.45Å; R516-V519 HydrophobicContact CG-CG2 4.5Å; R516-V519 VanDerWaalsContact NE-CG2 3.31Å; R516-V519 PolarHBondContact O-N 3.3Å; W517-V519 PolarHBondContact O-N 3.39Å; V519-T591 WeakPolarHBondContact CG1-O 3.36Å; V519-T591 WeakPolarHBondContact O-CB 3.49Å; V519-T591 WeakPolarHBondContact O-CG2 3.1Å; V519-S592 WeakPolarHBondContact CG1-OG 3.15Å
520	D	94.3	Very high	92.2	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.011	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-31.1	179.3	-54.8	-57	0	0	0	112.5	R509 V515 R516 F558 T591 S592 H607	R509-D520 IonicContact CZ-OD2 3.14Å; R509-D520 IonicContact NH1-OD1 3.69Å; R509-D520 IonicContact NH1-OD2 2.78Å; R509-D520 PolarHBondContact NH1-OD2 3.21Å; R509-D520 IonicContact NH2-OD2 2.67Å; V515-D520 HydrophobicContact CB-CB 3.98Å; V515-D520 HydrophobicContact CG1-CB 4.1Å; R516-D520 PolarHBondContact N-OD2 3.16Å; R516-D520 PolarHBondContact O-N 3.27Å; D520-F558 HydrophobicContact CB-CE2 3.77Å; D520-F558 HydrophobicContact CB-CZ 3.75Å; D520-T591 WeakPolarHBondContact OD1-CB 3.1Å; D520-T591 PolarHBondContact OD1-OG1 3.18Å; D520-S592 VanDerWaalsContact CG-OG 3.32Å; D520-S592 WeakPolarHBondContact OD1-CB 3.35Å; D520-S592 PolarHBondContact OD1-OG 3.35Å; D520-S592 PolarHBondContact OD2-OG 3.01Å; D520-H607 PolarHBondContact O-NE2 3.48Å
521	I	93.3	Very high	91.9	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-130.5	142.2	178.1	63.1	178.1	0	0	0	110.3	Y372 D375 V515 R516 W517 G518 A525 C530	Y372-I521 HydrophobicContact CD1-CD1 4.1Å; Y372-I521 HydrophobicContact CD2-CB 3.98Å; Y372-I521 HydrophobicContact CD2-CD1 3.97Å; Y372-I521 HydrophobicContact CD2-CG1 4.42Å; Y372-I521 HydrophobicContact CD2-CG2 4.35Å; Y372-I521 HydrophobicContact CE1-CD1 4.3Å; Y372-I521 HydrophobicContact CE2-CB 4.5Å; Y372-I521 HydrophobicContact CE2-CD1 4.21Å; Y372-I521 HydrophobicContact CE2-CG2 4.39Å; Y372-I521 HydrophobicContact CG-CB 4.49Å; Y372-I521 HydrophobicContact CG-CD1 3.92Å; D375-I521 HydrophobicContact CB-CD1 3.77Å; V515-I521 HydrophobicContact CB-CD1 4.39Å; V515-I521 HydrophobicContact CB-CG2 3.99Å; V515-I521 HydrophobicContact CG1-CG2 3.99Å; V515-I521 HydrophobicContact CG2-CD1 3.88Å; V515-I521 HydrophobicContact CG2-CG2 4.31Å; R516-I521 PolarHBondContact O-N 3.2Å; W517-I521 CarbonylContact C-O 3.54Å; W517-I521 WeakPolarHBondContact CA-O 3.4Å; W517-I521 HydrophobicContact CB-CD1 4.36Å; W517-I521 HydrophobicContact CB-CG1 4.06Å; W517-I521 HydrophobicContact CG-CG1 4.33Å; G518-I521 PolarHBondContact N-O 3.15Å; I521-A525 HydrophobicContact CB-CB 4.32Å; I521-A525 HydrophobicContact CG2-CB 4.47Å; I521-C530 HydrophobicContact CG2-CB 4.34Å; I521-C530 WeakPolarHBondContact CG2-SG 3.18Å
522	T	91.5	Very high	91.8	Very high	18 Å²	18	20.6 Å²	20.6	11%	0.11	12%	0.116	C	C	.	.			trans	-144.5	-173.2	178.8	76.5	0	0	0	0	110.3	D172 Y372 S524 A525	D172-T522 WeakPolarHBondContact OD2-CB 3.31Å; D172-T522 VanDerWaalsContact OD2-CG2 3.23Å; D172-T522 WeakPolarHBondContact OD2-CG2 3.1Å; D172-T522 PolarHBondContact OD2-OG1 3.32Å; Y372-T522 PolarHBondContact N-O 2.92Å; Y372-T522 VanDerWaalsContact N-O 3.17Å; Y372-T522 CarbonylContact O-C 3.58Å; Y372-T522 VanDerWaalsContact O-C 3.23Å; T522-S524 PolarHBondContact O-N 2.9Å; T522-S524 PolarHBondContact OG1-N 3.03Å; T522-S524 PolarHBondContact OG1-OG 2.73Å; T522-S524 VanDerWaalsContact OG1-OG 3.07Å; T522-A525 PolarHBondContact O-N 3.08Å
523	S	90.6	Very high	91.7	Very high	19 Å²	19	22.3 Å²	22.3	13%	0.133	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-17.3	175.9	62.1	0	0	0	0	114.2	D172 N367 G371 Y372	D172-S523 PolarHBondContact OD1-OG 2.85Å; N367-S523 PolarHBondContact ND2-O 2.96Å; G371-S523 WeakPolarHBondContact CA-O 3.27Å; Y372-S523 VanDerWaalsContact O-CA 3.3Å; Y372-S523 WeakPolarHBondContact O-CA 3.42Å; Y372-S523 PolarHBondContact O-N 2.98Å; Y372-S523 VanDerWaalsContact O-N 3.15Å
524	S	89	Confident	91.6	Very high	42 Å²	42	29.6 Å²	29.6	29%	0.294	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-16.3	179.5	68.7	0	0	0	0	114.5	T522 R556	T522-S524 PolarHBondContact O-N 2.9Å; T522-S524 PolarHBondContact OG1-N 3.03Å; T522-S524 PolarHBondContact OG1-OG 2.73Å; T522-S524 VanDerWaalsContact OG1-OG 3.07Å; S524-R556 PolarHBondContact O-NH2 3.02Å; S524-R556 PolarHBondContact OG-NH2 3.36Å
525	A	91.2	Very high	91.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.008	16%	0.156	C	C	.	.			trans	-95.7	129.5	-174.6	0	0	0	0	0	110.2	G371 Y372 I521 T522	G371-A525 WeakPolarHBondContact CA-O 3.45Å; Y372-A525 WeakPolarHBondContact CD2-O 3.23Å; Y372-A525 PolarHBondContact N-O 3.12Å; I521-A525 HydrophobicContact CB-CB 4.32Å; I521-A525 HydrophobicContact CG2-CB 4.47Å; T522-A525 PolarHBondContact O-N 3.08Å
526	T	92.8	Very high	91.7	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	16%	0.155	C	C	.	.			trans	-96.5	155.8	179.8	65.7	0	0	0	0	112.5	S528 E529 C530 L548 K551	T526-S528 PolarHBondContact O-N 3.43Å; T526-E529 PolarHBondContact N-OE2 3.32Å; T526-E529 PolarHBondContact O-N 3.06Å; T526-E529 VanDerWaalsContact OG1-CG 3.23Å; T526-E529 WeakPolarHBondContact OG1-CG 3.45Å; T526-E529 PolarHBondContact OG1-N 3.43Å; T526-E529 PolarHBondContact OG1-OE2 3.26Å; T526-C530 PolarHBondContact O-N 2.86Å; T526-C530 PolarHBondContact O-SG 2.87Å; T526-L548 HydrophobicContact CG2-CD2 4.42Å; T526-K551 HydrophobicContact CG2-CD 4.22Å
527	P	93.6	Very high	91.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-52.5	-35.6	170.8	-26.5	32.5	0	0	0	113.7	G370 Y372 C530 G531 R532 L533 V536 L548	G370-P527 VanDerWaalsContact O-CD 3.31Å; G370-P527 WeakPolarHBondContact O-CD 3.38Å; Y372-P527 HydrophobicContact CE1-CG 4.39Å; Y372-P527 HydrophobicContact CE2-CB 4.45Å; Y372-P527 HydrophobicContact CE2-CG 3.94Å; P527-C530 PolarHBondContact O-N 2.96Å; P527-G531 PolarHBondContact O-N 2.86Å; P527-G531 VanDerWaalsContact O-N 3.11Å; P527-R532 CarbonylContact O-C 3.43Å; P527-R532 PolarHBondContact O-N 3.14Å; P527-L533 HydrophobicContact CB-CD1 4.39Å; P527-L533 PolarHBondContact O-N 3.1Å; P527-V536 HydrophobicContact CB-CG2 3.72Å; P527-V536 HydrophobicContact CG-CG2 3.77Å; P527-L548 HydrophobicContact CG-CD1 4.26Å; P527-L548 HydrophobicContact CG-CD2 4.39Å
528	S	91	Very high	91.9	Very high	17 Å²	17	29.1 Å²	29.1	12%	0.119	16%	0.16	C	C	.	.	H	α-helix	trans	-66.5	-49.8	176.9	-55.6	0	0	0	0	111.9	T526 C530 G531	T526-S528 PolarHBondContact O-N 3.43Å; S528-C530 PolarHBondContact O-N 2.76Å; S528-G531 PolarHBondContact O-N 2.91Å; S528-G531 VanDerWaalsContact O-N 3.08Å
529	E	91.8	Very high	92.2	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.023	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-30.3	177.8	-70.3	171.4	145.3	0	0	112.2	T526 V554 R556 R557 F558	T526-E529 PolarHBondContact N-OE2 3.32Å; T526-E529 PolarHBondContact O-N 3.06Å; T526-E529 VanDerWaalsContact OG1-CG 3.23Å; T526-E529 WeakPolarHBondContact OG1-CG 3.45Å; T526-E529 PolarHBondContact OG1-N 3.43Å; T526-E529 PolarHBondContact OG1-OE2 3.26Å; E529-V554 HydrophobicContact CG-CB 3.99Å; E529-V554 HydrophobicContact CG-CG1 3.85Å; E529-R556 HydrophobicContact CB-CG 4.37Å; E529-R556 WeakPolarHBondContact CB-O 3.15Å; E529-R556 HydrophobicContact CG-CG 4.26Å; E529-R556 WeakPolarHBondContact CG-O 3.28Å; E529-R556 IonicContact OE2-NE 3.56Å; E529-R557 WeakPolarHBondContact O-CA 3.42Å; E529-R557 PolarHBondContact O-NH1 3.02Å; E529-F558 PolarHBondContact O-N 3.28Å
530	C	91.2	Very high	92.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-86.6	-11.5	179.1	-55.2	0	0	0	0	113.3	I521 T526 P527 S528 R532 F558	I521-C530 HydrophobicContact CG2-CB 4.34Å; I521-C530 WeakPolarHBondContact CG2-SG 3.18Å; T526-C530 PolarHBondContact O-N 2.86Å; T526-C530 PolarHBondContact O-SG 2.87Å; P527-C530 PolarHBondContact O-N 2.96Å; S528-C530 PolarHBondContact O-N 2.76Å; C530-R532 WeakPolarHBondContact O-CD 3.23Å; C530-R532 PolarHBondContact O-NE 2.98Å; C530-R532 PolarHBondContact O-NH1 3.47Å; C530-F558 HydrophobicContact CB-CB 4.41Å
531	G	88.4	Confident	92.5	Very high	16 Å²	16	39.9 Å²	39.9	17%	0.165	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	36.6	-172.6	0	0	0	0	0	112.8	P527 S528	P527-G531 PolarHBondContact O-N 2.86Å; P527-G531 VanDerWaalsContact O-N 3.11Å; S528-G531 PolarHBondContact O-N 2.91Å; S528-G531 VanDerWaalsContact O-N 3.08Å
532	R	90.8	Very high	92.7	Very high	24 Å²	24	40.2 Å²	40.2	9%	0.091	21%	0.21	C	C	.	.			trans	-122.6	15.5	-179.9	-77.2	80.6	-174.8	114.2	-15.3	112	F513 P527 C530 F534 R535	F513-R532 PolarHBondContact O-NH2 3.28Å; P527-R532 CarbonylContact O-C 3.43Å; P527-R532 PolarHBondContact O-N 3.14Å; C530-R532 WeakPolarHBondContact O-CD 3.23Å; C530-R532 PolarHBondContact O-NE 2.98Å; C530-R532 PolarHBondContact O-NH1 3.47Å; R532-F534 HydrophobicContact CG-CE1 4.42Å; R532-F534 PolarHBondContact O-N 3.26Å; R532-F534 VanDerWaalsContact O-N 3.15Å; R532-R535 WeakPolarHBondContact O-CB 3.29Å; R532-R535 PolarHBondContact O-N 3.36Å
533	L	90.9	Very high	92.9	Very high	52 Å²	52	40.5 Å²	40.5	27%	0.272	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-58.5	-27.5	177.9	-168.2	64.1	0	0	0	112.8	P527 R535 V536 L538	P527-L533 HydrophobicContact CB-CD1 4.39Å; P527-L533 PolarHBondContact O-N 3.1Å; L533-R535 PolarHBondContact O-N 2.88Å; L533-R535 VanDerWaalsContact O-N 3.1Å; L533-V536 HydrophobicContact CD1-CB 4.21Å; L533-V536 HydrophobicContact CD1-CG2 4.31Å; L533-V536 WeakPolarHBondContact O-CB 3.3Å; L533-V536 PolarHBondContact O-N 3.45Å; L533-L538 HydrophobicContact CD1-CD1 4.33Å
534	F	89.9	Confident	93	Very high	156 Å²	156	39.9 Å²	39.9	68%	0.684	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-61.4	-16.6	174.4	74.3	-90.1	0	0	0	114.2	R532	R532-F534 HydrophobicContact CG-CE1 4.42Å; R532-F534 PolarHBondContact O-N 3.26Å; R532-F534 VanDerWaalsContact O-N 3.15Å
535	R	91.9	Very high	93.3	Very high	67 Å²	67	39.9 Å²	39.9	25%	0.253	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-87.2	-6.6	174.4	-61.3	-178.1	172.2	174	-5.3	113	A351 R532 L533	A351-R535 WeakPolarHBondContact CB-O 3.44Å; R532-R535 WeakPolarHBondContact O-CB 3.29Å; R532-R535 PolarHBondContact O-N 3.36Å; L533-R535 PolarHBondContact O-N 2.88Å; L533-R535 VanDerWaalsContact O-N 3.1Å
536	V	95.4	Very high	93.4	Very high	16 Å²	16	46.8 Å²	46.8	10%	0.097	23%	0.232	C	C	.	.			trans	-101.2	126.6	-178	177.7	0	0	0	0	109.1	P527 L533 L538 F542 L548	P527-V536 HydrophobicContact CB-CG2 3.72Å; P527-V536 HydrophobicContact CG-CG2 3.77Å; L533-V536 HydrophobicContact CD1-CB 4.21Å; L533-V536 HydrophobicContact CD1-CG2 4.31Å; L533-V536 WeakPolarHBondContact O-CB 3.3Å; L533-V536 PolarHBondContact O-N 3.45Å; V536-L538 HydrophobicContact CG1-CD2 3.71Å; V536-L538 HydrophobicContact CG1-CG 4.04Å; V536-L538 PolarHBondContact O-N 3.5Å; V536-F542 HydrophobicContact CG1-CE1 4.07Å; V536-F542 HydrophobicContact CG1-CE2 4.26Å; V536-F542 HydrophobicContact CG1-CZ 3.47Å; V536-F542 VanDerWaalsContact CG1-CZ 3.47Å; V536-L548 HydrophobicContact CG1-CD1 4.12Å
537	N	96.5	Very high	93.4	Very high	46 Å²	46	47.4 Å²	47.4	25%	0.246	24%	0.238	C	C	.	.			trans	-89.5	92.8	170.6	-177.2	3.9	0	0	0	109.6	S350 N539 K540 F542	S350-N537 PolarHBondContact O-N 2.83Å; N537-N539 PolarHBondContact O-N 3.27Å; N537-N539 VanDerWaalsContact O-N 3.16Å; N537-N539 WeakPolarHBondContact OD1-CB 3.34Å; N537-N539 PolarHBondContact OD1-N 3.03Å; N537-N539 VanDerWaalsContact OD1-N 3.08Å; N537-K540 HydrophobicContact CB-CD 4.11Å; N537-K540 HydrophobicContact CB-CG 4.36Å; N537-K540 WeakPolarHBondContact O-CG 3.46Å; N537-K540 PolarHBondContact O-N 3.47Å; N537-F542 WeakPolarHBondContact O-CE1 3.14Å
538	L	94.7	Very high	93.3	Very high	49 Å²	49	48 Å²	48	26%	0.257	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.3	179.2	-66.5	172.9	0	0	0	113.9	L533 V536 F542 K545 L548 L549	L533-L538 HydrophobicContact CD1-CD1 4.33Å; V536-L538 HydrophobicContact CG1-CD2 3.71Å; V536-L538 HydrophobicContact CG1-CG 4.04Å; V536-L538 PolarHBondContact O-N 3.5Å; L538-F542 HydrophobicContact CD2-CZ 4.31Å; L538-K545 WeakPolarHBondContact O-CE 3.35Å; L538-K545 PolarHBondContact O-NZ 3.45Å; L538-L548 HydrophobicContact CD2-CB 4.19Å; L538-L549 HydrophobicContact CB-CD2 4.41Å; L538-L549 HydrophobicContact CD1-CD2 4.15Å; L538-L549 HydrophobicContact CD2-CD2 4.18Å; L538-L549 HydrophobicContact CG-CD2 4.49Å
539	N	95.6	Very high	93.2	Very high	154 Å²	154	52.1 Å²	52.1	82%	0.824	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-19.2	-179.7	-61.9	-31	0	0	0	113.3	N537	N537-N539 PolarHBondContact O-N 3.27Å; N537-N539 VanDerWaalsContact O-N 3.16Å; N537-N539 WeakPolarHBondContact OD1-CB 3.34Å; N537-N539 PolarHBondContact OD1-N 3.03Å; N537-N539 VanDerWaalsContact OD1-N 3.08Å
540	K	95.5	Very high	92.6	Very high	23 Å²	23	57.7 Å²	57.7	10%	0.1	29%	0.289	C	S	.	.	S	Bend	trans	-94.8	167.8	175.1	81.2	-171	-168.2	117.9	0	110.9	Q346 C349 S350 A351 N537 F542 K545	Q346-K540 PolarHBondContact O-NZ 2.93Å; C349-K540 WeakPolarHBondContact O-CE 3.14Å; C349-K540 PolarHBondContact O-NZ 3.41Å; S350-K540 VanDerWaalsContact O-CE 3.27Å; S350-K540 WeakPolarHBondContact O-CE 3.33Å; A351-K540 WeakPolarHBondContact O-CE 3.2Å; A351-K540 PolarHBondContact O-NZ 3.16Å; N537-K540 HydrophobicContact CB-CD 4.11Å; N537-K540 HydrophobicContact CB-CG 4.36Å; N537-K540 WeakPolarHBondContact O-CG 3.46Å; N537-K540 PolarHBondContact O-N 3.47Å; K540-F542 HydrophobicContact CG-CD1 3.96Å; K540-K545 VanDerWaalsContact O-CD 3.22Å; K540-K545 WeakPolarHBondContact O-CD 3.33Å; K540-K545 WeakPolarHBondContact O-CE 3.31Å; K540-K545 PolarHBondContact O-NZ 3.33Å
541	D	96.4	Very high	91.4	Very high	127 Å²	127	61.6 Å²	61.6	68%	0.679	31%	0.306	S	S	*	.			trans	-91.3	139.9	171.6	-158.4	26.1	0	0	0	111.5
542	F	97.2	Very high	89.7	Confident	8 Å²	8	65.7 Å²	65.7	4%	0.035	33%	0.332	C	S	.	.			trans	-167.1	160	179.7	64.7	-83.9	0	0	0	110.9	R347 V536 N537 L538 K540 G544 K545 L548	R347-F542 VanDerWaalsContact O-CA 3.26Å; R347-F542 WeakPolarHBondContact O-CA 3.39Å; R347-F542 WeakPolarHBondContact O-CB 3.5Å; V536-F542 HydrophobicContact CG1-CE1 4.07Å; V536-F542 HydrophobicContact CG1-CE2 4.26Å; V536-F542 HydrophobicContact CG1-CZ 3.47Å; V536-F542 VanDerWaalsContact CG1-CZ 3.47Å; N537-F542 WeakPolarHBondContact O-CE1 3.14Å; L538-F542 HydrophobicContact CD2-CZ 4.31Å; K540-F542 HydrophobicContact CG-CD1 3.96Å; F542-G544 PolarHBondContact O-N 2.9Å; F542-K545 HydrophobicContact CD1-CB 3.97Å; F542-K545 HydrophobicContact CD1-CG 4.44Å; F542-K545 HydrophobicContact CD2-CB 4.37Å; F542-K545 HydrophobicContact CE1-CB 3.71Å; F542-K545 HydrophobicContact CE1-CD 4.37Å; F542-K545 HydrophobicContact CE1-CG 3.95Å; F542-K545 HydrophobicContact CE2-CB 4.12Å; F542-K545 HydrophobicContact CG-CB 4.28Å; F542-K545 HydrophobicContact CZ-CB 3.78Å; F542-K545 HydrophobicContact CZ-CG 4.27Å; F542-K545 VanDerWaalsContact O-CB 3.28Å; F542-K545 WeakPolarHBondContact O-CB 3.35Å; F542-K545 PolarHBondContact O-N 3.44Å; F542-K545 VanDerWaalsContact O-N 3.16Å; F542-L548 HydrophobicContact CE2-CD1 4.02Å; F542-L548 HydrophobicContact CZ-CD1 4.04Å
543	I	95.8	Very high	88.5	Confident	24 Å²	24	65.9 Å²	65.9	12%	0.123	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	128.5	179.2	-56	169	0	0	0	110.3	R347 Q366 W396 H400	R347-I543 PolarHBondContact O-N 3.22Å; R347-I543 VanDerWaalsContact O-N 3.15Å; Q366-I543 WeakPolarHBondContact O-CG2 3.28Å; W396-I543 HydrophobicContact CH2-CG2 4.33Å; W396-I543 HydrophobicContact CZ2-CD1 3.95Å; W396-I543 HydrophobicContact CZ2-CG2 4.25Å; H400-I543 WeakPolarHBondContact CD2-CD1 3.17Å
544	G	94.4	Very high	88.2	Confident	7 Å²	7	63.9 Å²	63.9	7%	0.072	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-6.3	-178.6	0	0	0	0	0	115.9	N367 F542 K546 A547 L548	N367-G544 WeakPolarHBondContact O-CA 3.33Å; F542-G544 PolarHBondContact O-N 2.9Å; G544-K546 VanDerWaalsContact C-N 3.32Å; G544-K546 PolarHBondContact O-N 3.48Å; G544-A547 PolarHBondContact O-N 3.39Å; G544-L548 WeakPolarHBondContact O-CG 3.36Å; G544-L548 PolarHBondContact O-N 2.88Å; G544-L548 VanDerWaalsContact O-N 3.13Å
545	K	95.2	Very high	88.1	Confident	41 Å²	41	63.9 Å²	63.9	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-51.1	-49.3	176.5	176.4	-175	-177.7	164.5	0	112.6	L538 K540 F542 A547 L548 L549	L538-K545 WeakPolarHBondContact O-CE 3.35Å; L538-K545 PolarHBondContact O-NZ 3.45Å; K540-K545 VanDerWaalsContact O-CD 3.22Å; K540-K545 WeakPolarHBondContact O-CD 3.33Å; K540-K545 WeakPolarHBondContact O-CE 3.31Å; K540-K545 PolarHBondContact O-NZ 3.33Å; F542-K545 HydrophobicContact CD1-CB 3.97Å; F542-K545 HydrophobicContact CD1-CG 4.44Å; F542-K545 HydrophobicContact CD2-CB 4.37Å; F542-K545 HydrophobicContact CE1-CB 3.71Å; F542-K545 HydrophobicContact CE1-CD 4.37Å; F542-K545 HydrophobicContact CE1-CG 3.95Å; F542-K545 HydrophobicContact CE2-CB 4.12Å; F542-K545 HydrophobicContact CG-CB 4.28Å; F542-K545 HydrophobicContact CZ-CB 3.78Å; F542-K545 HydrophobicContact CZ-CG 4.27Å; F542-K545 VanDerWaalsContact O-CB 3.28Å; F542-K545 WeakPolarHBondContact O-CB 3.35Å; F542-K545 PolarHBondContact O-N 3.44Å; F542-K545 VanDerWaalsContact O-N 3.16Å; K545-A547 VanDerWaalsContact C-N 3.31Å; K545-A547 PolarHBondContact O-N 2.88Å; K545-L548 PolarHBondContact O-N 3.04Å; K545-L548 VanDerWaalsContact O-N 3.09Å; K545-L549 HydrophobicContact CG-CD1 4.01Å; K545-L549 HydrophobicContact CG-CG 4.44Å; K545-L549 PolarHBondContact O-N 3.19Å
546	K	93.4	Very high	88.2	Confident	146 Å²	146	63.9 Å²	63.9	64%	0.635	33%	0.326	S	S	*	.	H	α-helix	trans	-56.1	-45.9	-177.5	-174.7	-179.2	177.2	-177.4	0	111.3	G544 L548 L549 M550	G544-K546 VanDerWaalsContact C-N 3.32Å; G544-K546 PolarHBondContact O-N 3.48Å; K546-L548 PolarHBondContact O-N 2.84Å; K546-L549 PolarHBondContact O-N 3.41Å; K546-M550 HydrophobicContact CD-CE 3.97Å; K546-M550 HydrophobicContact CD-SD 4.36Å; K546-M550 HydrophobicContact CG-CE 3.6Å; K546-M550 HydrophobicContact CG-CG 4.41Å; K546-M550 HydrophobicContact CG-SD 3.81Å; K546-M550 WeakPolarHBondContact O-CB 3.34Å; K546-M550 VanDerWaalsContact O-CG 3.29Å; K546-M550 WeakPolarHBondContact O-CG 3.37Å; K546-M550 PolarHBondContact O-N 3.22Å
547	A	91.4	Very high	88.2	Confident	16 Å²	16	63.2 Å²	63.2	13%	0.132	32%	0.322	C	S	.	.	H	α-helix	trans	-66.5	-36.1	178	0	0	0	0	0	112.8	D368 R369 G544 K545 L549 M550 K551	D368-A547 WeakPolarHBondContact O-CB 3.26Å; R369-A547 VanDerWaalsContact C-CB 3.43Å; G544-A547 PolarHBondContact O-N 3.39Å; K545-A547 VanDerWaalsContact C-N 3.31Å; K545-A547 PolarHBondContact O-N 2.88Å; A547-L549 VanDerWaalsContact C-N 3.33Å; A547-M550 PolarHBondContact O-N 3.18Å; A547-K551 WeakPolarHBondContact O-CB 3.45Å; A547-K551 WeakPolarHBondContact O-CG 3.45Å; A547-K551 PolarHBondContact O-N 3.43Å
548	L	91.7	Very high	88.2	Confident	13 Å²	13	61 Å²	61	7%	0.068	31%	0.31	C	S	.	.	H	α-helix	trans	-68.6	-31	176.3	-64.6	-179.8	0	0	0	113.1	T526 P527 V536 L538 F542 G544 K545 K546	T526-L548 HydrophobicContact CG2-CD2 4.42Å; P527-L548 HydrophobicContact CG-CD1 4.26Å; P527-L548 HydrophobicContact CG-CD2 4.39Å; V536-L548 HydrophobicContact CG1-CD1 4.12Å; L538-L548 HydrophobicContact CD2-CB 4.19Å; F542-L548 HydrophobicContact CE2-CD1 4.02Å; F542-L548 HydrophobicContact CZ-CD1 4.04Å; G544-L548 WeakPolarHBondContact O-CG 3.36Å; G544-L548 PolarHBondContact O-N 2.88Å; G544-L548 VanDerWaalsContact O-N 3.13Å; K545-L548 PolarHBondContact O-N 3.04Å; K545-L548 VanDerWaalsContact O-N 3.09Å; K546-L548 PolarHBondContact O-N 2.84Å
549	L	90	Very high	88.3	Confident	104 Å²	104	58.7 Å²	58.7	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-78.5	-37.5	173.8	-68.3	175.6	0	0	0	112.6	L538 K545 K546 A547	L538-L549 HydrophobicContact CB-CD2 4.41Å; L538-L549 HydrophobicContact CD1-CD2 4.15Å; L538-L549 HydrophobicContact CD2-CD2 4.18Å; L538-L549 HydrophobicContact CG-CD2 4.49Å; K545-L549 HydrophobicContact CG-CD1 4.01Å; K545-L549 HydrophobicContact CG-CG 4.44Å; K545-L549 PolarHBondContact O-N 3.19Å; K546-L549 PolarHBondContact O-N 3.41Å; A547-L549 VanDerWaalsContact C-N 3.33Å
550	M	79.3	Confident	88.5	Confident	122 Å²	122	51.3 Å²	51.3	60%	0.601	26%	0.259	S	S	*	.	H	α-helix	trans	-80.8	-26.4	-175.9	-74	-176.6	177.6	0	0	114.5	K546 A547 S552	K546-M550 HydrophobicContact CD-CE 3.97Å; K546-M550 HydrophobicContact CD-SD 4.36Å; K546-M550 HydrophobicContact CG-CE 3.6Å; K546-M550 HydrophobicContact CG-CG 4.41Å; K546-M550 HydrophobicContact CG-SD 3.81Å; K546-M550 WeakPolarHBondContact O-CB 3.34Å; K546-M550 VanDerWaalsContact O-CG 3.29Å; K546-M550 WeakPolarHBondContact O-CG 3.37Å; K546-M550 PolarHBondContact O-N 3.22Å; A547-M550 PolarHBondContact O-N 3.18Å; M550-S552 PolarHBondContact O-N 2.73Å; M550-S552 PolarHBondContact O-OG 3.31Å
551	K	64.2	Low	88.6	Confident	83 Å²	83	50.2 Å²	50.2	36%	0.361	25%	0.254	S	S	.	.			trans	-69.5	80.3	177	-81.3	178.5	172.1	172.7	0	109.9	R369 T526 A547 G553	R369-K551 PolarHBondContact O-NZ 3.34Å; T526-K551 HydrophobicContact CG2-CD 4.22Å; A547-K551 WeakPolarHBondContact O-CB 3.45Å; A547-K551 WeakPolarHBondContact O-CG 3.45Å; A547-K551 PolarHBondContact O-N 3.43Å; K551-G553 PolarHBondContact O-N 3.26Å
552	S	54.5	Low	88.6	Confident	102 Å²	102	45 Å²	45	71%	0.713	23%	0.226	S	C	*	.			trans	-72.8	44.2	170.7	45.3	0	0	0	0	111.8	M550 K614	M550-S552 PolarHBondContact O-N 2.73Å; M550-S552 PolarHBondContact O-OG 3.31Å; S552-K614 CarbonylContact C-O 3.58Å; S552-K614 VanDerWaalsContact C-O 3.31Å; S552-K614 CarbonylContact O-C 3.38Å; S552-K614 VanDerWaalsContact O-C 3.27Å; S552-K614 WeakPolarHBondContact O-CA 3.23Å
553	G	64.6	Low	88.7	Confident	28 Å²	28	44.9 Å²	44.9	29%	0.289	23%	0.226	S	C	.	.	S	Bend	trans	169.9	143.3	-176.8	0	0	0	0	0	111.2	K551	K551-G553 PolarHBondContact O-N 3.26Å
554	V	84.2	Confident	88.8	Confident	10 Å²	10	48.8 Å²	48.8	6%	0.061	24%	0.242	C	C	.	.			trans	-107.2	140.3	171.7	-73.7	0	0	0	0	107.4	E529 R557 V610 L616 A619	E529-V554 HydrophobicContact CG-CB 3.99Å; E529-V554 HydrophobicContact CG-CG1 3.85Å; V554-R557 HydrophobicContact CG2-CG 4.49Å; V554-V610 HydrophobicContact CB-CG2 4.45Å; V554-V610 HydrophobicContact CG2-CG2 3.87Å; V554-V610 WeakPolarHBondContact O-CG2 3.43Å; V554-L616 HydrophobicContact CG1-CD1 4.34Å; V554-A619 HydrophobicContact CG2-CB 3.3Å
555	R	89.1	Confident	88.8	Confident	155 Å²	155	56.1 Å²	56.1	59%	0.585	28%	0.279	S	S	*	.	S	Bend	trans	-91.6	-26.4	176.8	-66.1	-178.8	-65.1	177.7	2.1	112.1	V610	R555-V610 PolarHBondContact O-N 2.97Å
556	R	93.8	Very high	88.9	Confident	67 Å²	67	55.4 Å²	55.4	25%	0.253	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	156.9	179	58.9	-176.8	172.6	-179.7	-2.3	111.5	S524 E529 H607 V608	S524-R556 PolarHBondContact O-NH2 3.02Å; S524-R556 PolarHBondContact OG-NH2 3.36Å; E529-R556 HydrophobicContact CB-CG 4.37Å; E529-R556 WeakPolarHBondContact CB-O 3.15Å; E529-R556 HydrophobicContact CG-CG 4.26Å; E529-R556 WeakPolarHBondContact CG-O 3.28Å; E529-R556 IonicContact OE2-NE 3.56Å; R556-H607 HydrophobicContact CB-CB 4.3Å; R556-H607 HydrophobicContact CG-CB 4.47Å; R556-V608 CarbonylContact C-O 3.59Å; R556-V608 WeakPolarHBondContact CA-O 3.32Å; R556-V608 WeakPolarHBondContact CB-O 3.37Å
557	R	95.2	Very high	89	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132	172.2	-72.4	-65.3	-71.3	114.5	0.7	110.7	E529 V554 H607 V608 V610 A619 D620 V623	E529-R557 WeakPolarHBondContact O-CA 3.42Å; E529-R557 PolarHBondContact O-NH1 3.02Å; V554-R557 HydrophobicContact CG2-CG 4.49Å; R557-H607 WeakPolarHBondContact O-CA 3.19Å; R557-V608 HydrophobicContact CB-CG2 4.37Å; R557-V608 PolarHBondContact N-O 2.91Å; R557-V608 PolarHBondContact O-N 3.03Å; R557-V610 HydrophobicContact CB-CG1 4.24Å; R557-V610 HydrophobicContact CG-CG1 3.86Å; R557-V610 HydrophobicContact CG-CG2 4.06Å; R557-A619 HydrophobicContact CG-CB 3.94Å; R557-D620 IonicContact CZ-OD1 2.72Å; R557-D620 VanDerWaalsContact CZ-OD1 3.24Å; R557-D620 IonicContact NE-OD1 3.08Å; R557-D620 PolarHBondContact NE-OD1 3.29Å; R557-D620 IonicContact NH2-OD1 3.24Å; R557-D620 PolarHBondContact NH2-OD1 3.39Å; R557-D620 IonicContact NH2-OD2 3.95Å; R557-V623 HydrophobicContact CB-CG2 4.22Å; R557-V623 HydrophobicContact CG-CG2 4.35Å
558	F	96.5	Very high	89.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	130.3	170.7	-169.2	-116	0	0	0	110.4	F513 V515 D520 E529 C530 L605 G606 H607	F513-F558 HydrophobicContact CD2-CD1 4.21Å; F513-F558 AromaticContact CD2-CE1 3.64Å; F513-F558 HydrophobicContact CD2-CE1 3.64Å; F513-F558 HydrophobicContact CD2-CZ 4.45Å; F513-F558 HydrophobicContact CE1-CD1 4.47Å; F513-F558 AromaticContact CE2-CD1 3.31Å; F513-F558 HydrophobicContact CE2-CD1 3.31Å; F513-F558 AromaticContact CE2-CE1 3.1Å; F513-F558 HydrophobicContact CE2-CE1 3.1Å; F513-F558 HydrophobicContact CE2-CG 4.28Å; F513-F558 AromaticContact CE2-CZ 3.96Å; F513-F558 HydrophobicContact CE2-CZ 3.96Å; F513-F558 AromaticContact CZ-CD1 3.47Å; F513-F558 HydrophobicContact CZ-CD1 3.47Å; F513-F558 VanDerWaalsContact CZ-CD1 3.47Å; F513-F558 AromaticContact CZ-CE1 3.79Å; F513-F558 HydrophobicContact CZ-CE1 3.79Å; F513-F558 HydrophobicContact CZ-CG 4.36Å; V515-F558 HydrophobicContact CG1-CD1 4Å; V515-F558 HydrophobicContact CG1-CE1 3.43Å; V515-F558 VanDerWaalsContact CG1-CE1 3.43Å; V515-F558 HydrophobicContact CG1-CZ 3.76Å; D520-F558 HydrophobicContact CB-CE2 3.77Å; D520-F558 HydrophobicContact CB-CZ 3.75Å; E529-F558 PolarHBondContact O-N 3.28Å; C530-F558 HydrophobicContact CB-CB 4.41Å; F558-L605 HydrophobicContact CE1-CB 4.48Å; F558-L605 HydrophobicContact CE1-CD1 4.21Å; F558-L605 HydrophobicContact CE2-CB 3.91Å; F558-L605 HydrophobicContact CZ-CB 3.58Å; F558-L605 HydrophobicContact CZ-CD1 3.69Å; F558-L605 HydrophobicContact CZ-CG 4.2Å; F558-G606 CarbonylContact C-O 3.45Å; F558-G606 VanDerWaalsContact CA-O 3.27Å; F558-G606 WeakPolarHBondContact CA-O 3.49Å; F558-G606 WeakPolarHBondContact CD2-O 3.37Å; F558-H607 AromaticContact CD2-CD2 3.85Å; F558-H607 AromaticContact CD2-CE1 3.6Å; F558-H607 AromaticContact CD2-NE2 3.45Å; F558-H607 WeakPolarHBondContact CD2-NE2 3.43Å
559	V	97.5	Very high	89.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.8	-173.1	-66.1	0	0	0	0	110.9	F513 L561 L605 G606 V608 V623 L643 L645	F513-V559 VanDerWaalsContact CE2-C 3.45Å; V559-L561 HydrophobicContact CB-CD2 4.49Å; V559-L561 HydrophobicContact CG2-CD1 4.29Å; V559-L561 HydrophobicContact CG2-CD2 3.93Å; V559-L561 HydrophobicContact CG2-CG 4.06Å; V559-L605 WeakPolarHBondContact O-CA 3.36Å; V559-G606 PolarHBondContact N-O 3.06Å; V559-G606 PolarHBondContact O-N 3.38Å; V559-V608 HydrophobicContact CG1-CG2 3.83Å; V559-V608 HydrophobicContact CG2-CG1 3.88Å; V559-V608 HydrophobicContact CG2-CG2 4.33Å; V559-V623 HydrophobicContact CG1-CG1 4.05Å; V559-L643 HydrophobicContact CB-CD1 4.33Å; V559-L643 HydrophobicContact CB-CD2 4.29Å; V559-L643 HydrophobicContact CB-CG 4.12Å; V559-L643 HydrophobicContact CG1-CD1 4.13Å; V559-L643 HydrophobicContact CG1-CD2 3.92Å; V559-L643 HydrophobicContact CG1-CG 4.16Å; V559-L643 HydrophobicContact CG2-CD1 4.49Å; V559-L645 HydrophobicContact CG1-CD2 3.96Å
560	Q	97.8	Very high	89.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.2	166.4	-177.9	-172	60.3	0	0	108.6	I510 E511 F513 L562 V603 C604 L605 L643 N644 P648	I510-Q560 PolarHBondContact O-NE2 3.02Å; I510-Q560 VanDerWaalsContact O-NE2 3.11Å; E511-Q560 PolarHBondContact O-NE2 3.14Å; E511-Q560 VanDerWaalsContact O-NE2 3.1Å; F513-Q560 HydrophobicContact CD2-CB 3.78Å; F513-Q560 HydrophobicContact CE2-CB 3.76Å; F513-Q560 HydrophobicContact CG-CB 4.19Å; F513-Q560 HydrophobicContact CZ-CB 4.2Å; Q560-L562 HydrophobicContact CG-CD1 3.76Å; Q560-V603 HydrophobicContact CG-CG1 3.53Å; Q560-C604 CarbonylContact C-O 3.23Å; Q560-C604 WeakPolarHBondContact CA-O 3.42Å; Q560-L605 HydrophobicContact CB-CD2 3.88Å; Q560-L605 HydrophobicContact CG-CD2 3.74Å; Q560-L643 CarbonylContact O-C 3.45Å; Q560-L643 WeakPolarHBondContact O-CA 3.49Å; Q560-N644 HydrophobicContact CB-CB 4.24Å; Q560-N644 PolarHBondContact N-O 3.44Å; Q560-N644 PolarHBondContact O-N 2.98Å; Q560-N644 PolarHBondContact OE1-ND2 3.3Å; Q560-P648 VanDerWaalsContact OE1-CD 3.31Å
561	L	98.1	Very high	89.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	107.7	-173	-55	165.9	0	0	0	107.9	V559 I580 T590 V603 C604 V632 V641 L643	V559-L561 HydrophobicContact CB-CD2 4.49Å; V559-L561 HydrophobicContact CG2-CD1 4.29Å; V559-L561 HydrophobicContact CG2-CD2 3.93Å; V559-L561 HydrophobicContact CG2-CG 4.06Å; L561-I580 HydrophobicContact CD1-CD1 3.62Å; L561-I580 HydrophobicContact CD1-CG1 3.9Å; L561-I580 HydrophobicContact CD1-CG2 4.32Å; L561-T590 HydrophobicContact CD1-CG2 4.38Å; L561-V603 WeakPolarHBondContact O-CA 2.93Å; L561-C604 HydrophobicContact CB-CB 4.36Å; L561-C604 PolarHBondContact N-O 2.57Å; L561-C604 PolarHBondContact O-N 3.06Å; L561-V632 HydrophobicContact CB-CG2 4.38Å; L561-V632 HydrophobicContact CD1-CG2 3.76Å; L561-V641 HydrophobicContact CB-CB 4.31Å; L561-V641 HydrophobicContact CB-CG1 4.29Å; L561-V641 HydrophobicContact CB-CG2 4.38Å; L561-V641 HydrophobicContact CD2-CG2 3.87Å; L561-L643 HydrophobicContact CD2-CB 4.12Å; L561-L643 HydrophobicContact CD2-CD1 3.84Å; L561-L643 HydrophobicContact CD2-CG 3.86Å
562	L	97.7	Very high	91.2	Very high	16 Å²	16	49.6 Å²	49.6	8%	0.084	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.4	175.2	-77.4	57.5	0	0	0	107.4	Q560 L599 V603 V641 Q642 N644	Q560-L562 HydrophobicContact CG-CD1 3.76Å; L562-L599 HydrophobicContact CD2-CD1 4.14Å; L562-L599 HydrophobicContact CG-CD1 4.37Å; L562-V603 HydrophobicContact CD1-CG1 4.37Å; L562-V603 HydrophobicContact CD1-CG2 4.14Å; L562-V603 HydrophobicContact CG-CG2 3.93Å; L562-V641 CarbonylContact O-C 3.22Å; L562-V641 WeakPolarHBondContact O-CA 3.32Å; L562-V641 WeakPolarHBondContact O-CB 3.26Å; L562-Q642 HydrophobicContact CB-CB 4.22Å; L562-Q642 PolarHBondContact N-O 3.11Å; L562-Q642 PolarHBondContact O-N 3.08Å; L562-N644 WeakPolarHBondContact CD1-ND2 3.31Å
563	L	98	Very high	93.1	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.037	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	132.8	179.5	-78.7	62.1	0	0	0	109.9	H566 P574 Q602 I634 F639 V641	L563-H566 HydrophobicContact CB-CB 4.06Å; L563-H566 HydrophobicContact CD2-CB 4.23Å; L563-P574 HydrophobicContact CD2-CG 4.41Å; L563-Q602 HydrophobicContact CB-CB 4.12Å; L563-Q602 HydrophobicContact CD1-CB 4.16Å; L563-Q602 HydrophobicContact CD2-CB 3.72Å; L563-Q602 HydrophobicContact CD2-CG 4.35Å; L563-Q602 HydrophobicContact CG-CB 4.2Å; L563-Q602 PolarHBondContact N-O 3.15Å; L563-I634 HydrophobicContact CD2-CD1 3.34Å; L563-I634 HydrophobicContact CG-CD1 4.47Å; L563-F639 HydrophobicContact CD2-CB 4.35Å; L563-F639 HydrophobicContact CD2-CG 4.33Å; L563-F639 HydrophobicContact CG-CB 4.26Å; L563-V641 HydrophobicContact CD1-CG1 4.44Å
564	K	97.6	Very high	94.5	Very high	106 Å²	106	44.7 Å²	44.7	46%	0.461	22%	0.216	S	C	.	.	S	Bend	trans	-92.9	144.6	171.8	-63.7	172.3	176.3	162.1	0	109.4	H566 G640 V641	K564-H566 PolarHBondContact O-N 2.84Å; K564-G640 WeakPolarHBondContact CB-O 3.17Å; K564-G640 PolarHBondContact N-O 2.89Å; K564-V641 WeakPolarHBondContact CE-O 3.2Å; K564-V641 PolarHBondContact NZ-O 3.38Å; K564-V641 VanDerWaalsContact NZ-O 3.08Å
565	D	95.7	Very high	94.7	Very high	160 Å²	160	46.3 Å²	46.3	86%	0.856	22%	0.223	S	C	*	.	S	Bend	trans	55.1	26.3	171.6	-46.6	-48.1	0	0	0	114.7
566	H	97.1	Very high	94.9	Very high	26 Å²	26	39.5 Å²	39.5	12%	0.12	20%	0.2	C	C	.	.			trans	-80.4	121.3	174.3	-179.1	-86.8	0	0	0	110.4	L563 K564 I568 D571 P572 Q602 F639	L563-H566 HydrophobicContact CB-CB 4.06Å; L563-H566 HydrophobicContact CD2-CB 4.23Å; K564-H566 PolarHBondContact O-N 2.84Å; H566-I568 PolarHBondContact O-N 2.89Å; H566-D571 WeakPolarHBondContact NE2-CB 3.38Å; H566-P572 PolarHBondContact NE2-O 2.94Å; H566-Q602 WeakPolarHBondContact ND1-CG 3.09Å; H566-F639 HydrophobicContact CB-CD1 4.23Å; H566-F639 HydrophobicContact CB-CE1 4.3Å; H566-F639 AromaticContact CD2-CE1 3.65Å; H566-F639 AromaticContact CD2-CZ 3.78Å
567	D	95.3	Very high	94.9	Very high	63 Å²	63	41.6 Å²	41.6	34%	0.337	22%	0.217	S	C	.	.			trans	-85.9	108.4	172.9	-176.1	-22	0	0	0	110.6	N569 N570 D571	D567-N569 PolarHBondContact O-N 3.27Å; D567-N569 PolarHBondContact OD1-N 3.35Å; D567-N570 HydrophobicContact CB-CB 4.34Å; D567-N570 PolarHBondContact O-N 3.15Å; D567-N570 PolarHBondContact OD1-N 2.9Å; D567-N570 PolarHBondContact OD2-ND2 3.46Å; D567-D571 PolarHBondContact N-OD2 2.92Å; D567-D571 VanDerWaalsContact O-CB 3.26Å; D567-D571 WeakPolarHBondContact O-CB 3.37Å; D567-D571 PolarHBondContact O-N 2.85Å
568	I	93.1	Very high	94.9	Very high	38 Å²	38	42.6 Å²	42.6	20%	0.195	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-24.4	-178.1	67.6	172.2	0	0	0	114.4	K282 H566 W573 Y595	K282-I568 WeakPolarHBondContact CB-O 3.42Å; H566-I568 PolarHBondContact O-N 2.89Å; I568-W573 HydrophobicContact CB-CZ2 4.15Å; I568-W573 PolarHBondContact O-NE1 3.14Å; I568-Y595 HydrophobicContact CG2-CD2 4.06Å; I568-Y595 HydrophobicContact CG2-CE2 3.44Å; I568-Y595 VanDerWaalsContact CG2-CE2 3.44Å
569	N	91.6	Very high	95	Very high	98 Å²	98	45.3 Å²	45.3	52%	0.524	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-27.6	-175.3	-56.6	-57.6	0	0	0	113.1	K282 D567	K282-N569 WeakPolarHBondContact CD-OD1 3.49Å; K282-N569 PolarHBondContact NZ-OD1 3.24Å; K282-N569 VanDerWaalsContact NZ-OD1 3.08Å; D567-N569 PolarHBondContact O-N 3.27Å; D567-N569 PolarHBondContact OD1-N 3.35Å
570	N	92	Very high	95	Very high	130 Å²	130	45.3 Å²	45.3	70%	0.695	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.3	-23.4	-172.1	-63.5	-56.9	0	0	0	113.3	D567	D567-N570 HydrophobicContact CB-CB 4.34Å; D567-N570 PolarHBondContact O-N 3.15Å; D567-N570 PolarHBondContact OD1-N 2.9Å; D567-N570 PolarHBondContact OD2-ND2 3.46Å
571	D	94.2	Very high	95.1	Very high	18 Å²	18	46.7 Å²	46.7	10%	0.096	24%	0.241	C	C	.	.	S	Bend	trans	-92.6	155.9	-177.2	-75.7	-33.2	0	0	0	113.6	H566 D567 K637 F639	H566-D571 WeakPolarHBondContact NE2-CB 3.38Å; D567-D571 PolarHBondContact N-OD2 2.92Å; D567-D571 VanDerWaalsContact O-CB 3.26Å; D567-D571 WeakPolarHBondContact O-CB 3.37Å; D567-D571 PolarHBondContact O-N 2.85Å; D571-K637 VanDerWaalsContact CG-NZ 3.35Å; D571-K637 IonicContact OD1-NZ 3.4Å; D571-K637 PolarHBondContact OD1-NZ 2.81Å; D571-K637 IonicContact OD2-NZ 3.38Å; D571-K637 PolarHBondContact OD2-NZ 3.45Å; D571-F639 HydrophobicContact CB-CE1 4.1Å; D571-F639 HydrophobicContact CB-CZ 3.84Å; D571-F639 WeakPolarHBondContact OD2-CE1 3.36Å
572	P	92.6	Very high	95.1	Very high	16 Å²	16	48.5 Å²	48.5	10%	0.104	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-65.4	136.9	176.1	27.6	-37.1	0	0	0	112.2	V280 H566 I634 A635 K637 F639	V280-P572 HydrophobicContact CG1-CB 3.49Å; V280-P572 VanDerWaalsContact CG1-CB 3.49Å; V280-P572 CarbonylContact O-C 3.51Å; V280-P572 VanDerWaalsContact O-C 3.27Å; V280-P572 WeakPolarHBondContact O-CA 3.49Å; H566-P572 PolarHBondContact NE2-O 2.94Å; P572-I634 HydrophobicContact CB-CB 4.38Å; P572-I634 HydrophobicContact CB-CG2 3.84Å; P572-I634 HydrophobicContact CG-CB 4.12Å; P572-I634 HydrophobicContact CG-CG2 4.13Å; P572-I634 VanDerWaalsContact CG-O 3.3Å; P572-I634 WeakPolarHBondContact CG-O 3.33Å; P572-A635 HydrophobicContact CB-CB 3.78Å; P572-A635 HydrophobicContact CG-CB 4.24Å; P572-K637 HydrophobicContact CG-CB 4.38Å; P572-F639 HydrophobicContact CG-CE2 4.1Å; P572-F639 HydrophobicContact CG-CZ 4.2Å
573	W	93.4	Very high	95	Very high	20 Å²	20	51.9 Å²	51.9	8%	0.076	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-89.3	131.7	-179.9	-82.8	49.2	0	0	0	110.8	V280 G281 K282 P283 F286 I568 Y595 Q602	V280-W573 PolarHBondContact O-N 2.76Å; G281-W573 VanDerWaalsContact C-CD1 3.43Å; K282-W573 HydrophobicContact CB-CZ2 4.01Å; K282-W573 HydrophobicContact CD-CZ2 4.16Å; K282-W573 HydrophobicContact CG-CH2 4.28Å; K282-W573 HydrophobicContact CG-CZ2 3.6Å; P283-W573 HydrophobicContact CG-CE3 4.05Å; P283-W573 HydrophobicContact CG-CH2 4.49Å; P283-W573 HydrophobicContact CG-CZ3 3.93Å; F286-W573 AromaticContact CD2-CH2 3.36Å; F286-W573 HydrophobicContact CD2-CH2 3.36Å; F286-W573 HydrophobicContact CD2-CZ2 4.22Å; F286-W573 HydrophobicContact CD2-CZ3 4.11Å; F286-W573 AromaticContact CE2-CH2 3.55Å; F286-W573 HydrophobicContact CE2-CH2 3.55Å; F286-W573 HydrophobicContact CE2-CZ2 4.34Å; F286-W573 HydrophobicContact CE2-CZ3 4.47Å; F286-W573 HydrophobicContact CG-CH2 4.31Å; I568-W573 HydrophobicContact CB-CZ2 4.15Å; I568-W573 PolarHBondContact O-NE1 3.14Å; W573-Y595 HydrophobicContact CH2-CD2 4.46Å; W573-Y595 HydrophobicContact CH2-CG 4.4Å; W573-Q602 VanDerWaalsContact CZ3-NE2 3.33Å
574	P	94.1	Very high	95	Very high	7 Å²	7	53.1 Å²	53.1	5%	0.045	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-74	148.2	172.6	30.2	-30.5	0	0	0	111	L563 E578 A593 Q602 C604 I634	L563-P574 HydrophobicContact CD2-CG 4.41Å; P574-E578 VanDerWaalsContact CA-OE1 3.29Å; P574-E578 WeakPolarHBondContact CA-OE1 3.27Å; P574-E578 HydrophobicContact CB-CG 4.34Å; P574-A593 VanDerWaalsContact C-CB 3.47Å; P574-A593 HydrophobicContact CB-CB 3.67Å; P574-A593 HydrophobicContact CG-CB 3.9Å; P574-A593 WeakPolarHBondContact O-CB 3.14Å; P574-Q602 HydrophobicContact CG-CB 4.26Å; P574-Q602 HydrophobicContact CG-CG 4.38Å; P574-C604 VanDerWaalsContact CB-SG 3.54Å; P574-I634 HydrophobicContact CB-CD1 3.87Å; P574-I634 HydrophobicContact CB-CG1 4.43Å; P574-I634 HydrophobicContact CB-CG2 4.44Å; P574-I634 HydrophobicContact CG-CD1 3.98Å
575	Q	89.2	Confident	95	Very high	44 Å²	44	54.9 Å²	54.9	21%	0.206	29%	0.291	C	S	.	.			trans	-129	-14.4	178.6	-53.9	-166.5	10.6	0	0	112.8	P279 E578	P279-Q575 PolarHBondContact O-NE2 2.6Å; Q575-E578 PolarHBondContact N-OE1 3.31Å
576	G	91.7	Very high	95.1	Very high	11 Å²	11	52.9 Å²	52.9	11%	0.113	27%	0.274	C	S	.	.	S	Bend	trans	115	150.8	-175.5	0	0	0	0	0	112.2	E578 T590	G576-E578 VanDerWaalsContact C-N 3.32Å; G576-E578 WeakPolarHBondContact CA-OE2 3.02Å; G576-E578 VanDerWaalsContact N-CD 3.33Å; G576-E578 PolarHBondContact N-OE1 2.85Å; G576-E578 PolarHBondContact N-OE2 3.23Å; G576-T590 WeakPolarHBondContact CA-OG1 3.37Å
577	N	93.5	Very high	95.1	Very high	112 Å²	112	51.9 Å²	51.9	60%	0.599	27%	0.27	S	S	*	.			trans	71.7	16.9	-170.1	-44.7	-74.7	0	0	0	115.1	T590	N577-T590 VanDerWaalsContact CA-O 3.23Å; N577-T590 WeakPolarHBondContact CA-O 3.41Å; N577-T590 PolarHBondContact N-O 3.35Å; N577-T590 PolarHBondContact N-OG1 3.48Å
578	E	96.1	Very high	95.2	Very high	22 Å²	22	49.3 Å²	49.3	10%	0.103	26%	0.259	C	S	.	.			trans	-67.2	148.6	167.5	-64.6	83.7	-158.8	0	0	111.6	P574 Q575 G576 L589 T590 V632 E633 I634	P574-E578 VanDerWaalsContact CA-OE1 3.29Å; P574-E578 WeakPolarHBondContact CA-OE1 3.27Å; P574-E578 HydrophobicContact CB-CG 4.34Å; Q575-E578 PolarHBondContact N-OE1 3.31Å; G576-E578 VanDerWaalsContact C-N 3.32Å; G576-E578 WeakPolarHBondContact CA-OE2 3.02Å; G576-E578 VanDerWaalsContact N-CD 3.33Å; G576-E578 PolarHBondContact N-OE1 2.85Å; G576-E578 PolarHBondContact N-OE2 3.23Å; E578-L589 CarbonylContact O-C 3.49Å; E578-L589 VanDerWaalsContact O-CA 3.31Å; E578-L589 WeakPolarHBondContact O-CA 3.43Å; E578-T590 HydrophobicContact CB-CG2 3.98Å; E578-T590 PolarHBondContact N-OG1 3.34Å; E578-T590 PolarHBondContact O-N 3.33Å; E578-T590 WeakPolarHBondContact OE2-CB 3.36Å; E578-T590 PolarHBondContact OE2-OG1 2.77Å; E578-V632 HydrophobicContact CB-CG1 3.75Å; E578-V632 HydrophobicContact CG-CG1 4.42Å; E578-E633 WeakPolarHBondContact CB-O 3.38Å; E578-I634 HydrophobicContact CG-CG1 4.27Å; E578-I634 HydrophobicContact CG-CG2 4.45Å
579	L	98.3	Very high	95.4	Very high	58 Å²	58	51 Å²	51	30%	0.304	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	134.3	178.4	-54.6	179	0	0	0	110.4	Y581 F586 L589 V632 E633	L579-Y581 HydrophobicContact CB-CD2 4.35Å; L579-Y581 HydrophobicContact CB-CE2 3.6Å; L579-Y581 HydrophobicContact CD1-CE2 4.25Å; L579-Y581 VanDerWaalsContact CD1-OH 3.29Å; L579-Y581 WeakPolarHBondContact CD1-OH 3.43Å; L579-F586 HydrophobicContact CB-CD2 4.42Å; L579-F586 HydrophobicContact CD2-CD2 4.12Å; L579-F586 HydrophobicContact CD2-CE2 3.82Å; L579-L589 HydrophobicContact CD2-CD2 3.64Å; L579-V632 WeakPolarHBondContact O-CA 3.24Å; L579-E633 HydrophobicContact CB-CB 4.36Å; L579-E633 PolarHBondContact O-N 2.89Å
580	I	98.7	Very high	95.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.7	171.9	-51.9	166.8	0	0	0	108.4	L561 C587 G588 L589 T590 V608 Y630 E631 V632	L561-I580 HydrophobicContact CD1-CD1 3.62Å; L561-I580 HydrophobicContact CD1-CG1 3.9Å; L561-I580 HydrophobicContact CD1-CG2 4.32Å; I580-C587 PolarHBondContact O-N 3.01Å; I580-G588 PolarHBondContact N-O 3.44Å; I580-G588 PolarHBondContact O-N 3.2Å; I580-L589 WeakPolarHBondContact CD1-O 3.43Å; I580-T590 HydrophobicContact CD1-CG2 4.28Å; I580-T590 HydrophobicContact CG1-CG2 4.02Å; I580-V608 HydrophobicContact CD1-CG1 4.09Å; I580-V608 HydrophobicContact CG2-CG1 3.91Å; I580-Y630 HydrophobicContact CG2-CD1 4.41Å; I580-E631 WeakPolarHBondContact CA-O 3.45Å; I580-V632 HydrophobicContact CG1-CG2 4.44Å
581	Y	98.6	Very high	95.9	Very high	29 Å²	29	41.3 Å²	41.3	11%	0.114	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146.5	175.9	-66.7	-92.6	0	0	0	111.2	L579 G584 Q585 F586 Y630 E631 E633	L579-Y581 HydrophobicContact CB-CD2 4.35Å; L579-Y581 HydrophobicContact CB-CE2 3.6Å; L579-Y581 HydrophobicContact CD1-CE2 4.25Å; L579-Y581 VanDerWaalsContact CD1-OH 3.29Å; L579-Y581 WeakPolarHBondContact CD1-OH 3.43Å; Y581-G584 WeakPolarHBondContact CD1-O 3.5Å; Y581-Q585 CarbonylContact C-O 3.59Å; Y581-Q585 VanDerWaalsContact CA-O 3.27Å; Y581-Q585 WeakPolarHBondContact CA-O 3.25Å; Y581-Q585 VanDerWaalsContact CD1-C 3.5Å; Y581-F586 HydrophobicContact CD1-CB 4.44Å; Y581-F586 HydrophobicContact CE1-CB 4.15Å; Y581-Y630 VanDerWaalsContact O-CA 3.3Å; Y581-Y630 WeakPolarHBondContact O-CA 3.4Å; Y581-E631 PolarHBondContact N-O 3.37Å; Y581-E631 PolarHBondContact O-N 2.77Å; Y581-E633 HydrophobicContact CD2-CB 4.29Å; Y581-E633 HydrophobicContact CE2-CB 3.78Å
582	R	97.9	Very high	96	Very high	38 Å²	38	40.6 Å²	40.6	14%	0.143	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.2	167.6	174	176.1	60.9	-142.8	-2.6	108.1	G584 Q585 C587 S609 F622 F628 V629 Y630	R582-G584 PolarHBondContact O-N 2.87Å; R582-Q585 PolarHBondContact N-O 2.99Å; R582-Q585 PolarHBondContact O-N 3.21Å; R582-C587 HydrophobicContact CB-CB 4.1Å; R582-S609 PolarHBondContact NH1-O 3.37Å; R582-S609 VanDerWaalsContact NH1-O 3.07Å; R582-S609 PolarHBondContact NH2-O 3Å; R582-F622 VanDerWaalsContact CZ-CE1 3.48Å; R582-F628 HydrophobicContact CG-CB 4.07Å; R582-F628 HydrophobicContact CG-CD1 4.24Å; R582-F628 HydrophobicContact CG-CD2 4.25Å; R582-F628 HydrophobicContact CG-CG 3.96Å; R582-V629 CarbonylContact C-O 3.48Å; R582-V629 WeakPolarHBondContact CA-O 3.23Å; R582-Y630 HydrophobicContact CB-CD1 4.07Å; R582-Y630 HydrophobicContact CB-CE1 3.82Å; R582-Y630 HydrophobicContact CG-CE1 4.08Å
583	N	97.1	Very high	96.2	Very high	86 Å²	86	40.8 Å²	40.8	46%	0.46	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	44.5	-176.6	-64.6	-6.2	0	0	0	112.1	Q585 N627 F628 V629	N583-Q585 PolarHBondContact O-N 3.28Å; N583-N627 PolarHBondContact ND2-O 2.95Å; N583-F628 WeakPolarHBondContact ND2-CD1 3.27Å; N583-F628 WeakPolarHBondContact OD1-CA 3.26Å; N583-V629 PolarHBondContact N-O 2.81Å; N583-V629 PolarHBondContact OD1-N 3.01Å
584	G	96.8	Very high	96.2	Very high	33 Å²	33	40.5 Å²	40.5	34%	0.34	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	-5.9	-179	0	0	0	0	0	115.9	Y581 R582	Y581-G584 WeakPolarHBondContact CD1-O 3.5Å; R582-G584 PolarHBondContact O-N 2.87Å
585	Q	97.7	Very high	96.3	Very high	144 Å²	144	41.7 Å²	41.7	67%	0.673	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	136.7	178.3	-63.5	-62.5	-40.4	0	0	111.1	Y581 R582 N583 C587	Y581-Q585 CarbonylContact C-O 3.59Å; Y581-Q585 VanDerWaalsContact CA-O 3.27Å; Y581-Q585 WeakPolarHBondContact CA-O 3.25Å; Y581-Q585 VanDerWaalsContact CD1-C 3.5Å; R582-Q585 PolarHBondContact N-O 2.99Å; R582-Q585 PolarHBondContact O-N 3.21Å; N583-Q585 PolarHBondContact O-N 3.28Å; Q585-C587 PolarHBondContact O-N 3.14Å
586	F	97.9	Very high	96.6	Very high	117 Å²	117	39.7 Å²	39.7	51%	0.513	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	131.2	175.4	168.8	-97.7	0	0	0	110.1	L579 Y581 G588 L589	L579-F586 HydrophobicContact CB-CD2 4.42Å; L579-F586 HydrophobicContact CD2-CD2 4.12Å; L579-F586 HydrophobicContact CD2-CE2 3.82Å; Y581-F586 HydrophobicContact CD1-CB 4.44Å; Y581-F586 HydrophobicContact CE1-CB 4.15Å; F586-G588 WeakPolarHBondContact CE2-O 3.33Å; F586-L589 HydrophobicContact CE2-CD2 4.31Å; F586-L589 HydrophobicContact CE2-CG 4.36Å; F586-L589 HydrophobicContact CZ-CG 4.41Å
587	C	97.7	Very high	96.8	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.034	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	0.3	178.2	71.5	0	0	0	0	114.1	I580 R582 Q585 V608 S609	I580-C587 PolarHBondContact O-N 3.01Å; R582-C587 HydrophobicContact CB-CB 4.1Å; Q585-C587 PolarHBondContact O-N 3.14Å; C587-V608 CarbonylContact O-C 3.57Å; C587-V608 WeakPolarHBondContact O-CA 3.48Å; C587-S609 PolarHBondContact O-N 3.35Å; C587-S609 PolarHBondContact O-OG 3.47Å
588	G	97.6	Very high	96.8	Very high	9 Å²	9	38 Å²	38	9%	0.093	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.6	-177.9	-176.2	0	0	0	0	0	115.2	I580 F586 H607	I580-G588 PolarHBondContact N-O 3.44Å; I580-G588 PolarHBondContact O-N 3.2Å; F586-G588 WeakPolarHBondContact CE2-O 3.33Å; G588-H607 WeakPolarHBondContact CA-O 3.27Å
589	L	97.6	Very high	96.7	Very high	74 Å²	74	39.8 Å²	39.8	39%	0.387	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.5	177.5	-70.4	167.7	0	0	0	109.9	E578 L579 I580 F586 G606 H607	E578-L589 CarbonylContact O-C 3.49Å; E578-L589 VanDerWaalsContact O-CA 3.31Å; E578-L589 WeakPolarHBondContact O-CA 3.43Å; L579-L589 HydrophobicContact CD2-CD2 3.64Å; I580-L589 WeakPolarHBondContact CD1-O 3.43Å; F586-L589 HydrophobicContact CE2-CD2 4.31Å; F586-L589 HydrophobicContact CE2-CG 4.36Å; F586-L589 HydrophobicContact CZ-CG 4.41Å; L589-G606 VanDerWaalsContact O-CA 3.27Å; L589-G606 WeakPolarHBondContact O-CA 3.23Å; L589-H607 PolarHBondContact N-O 3.39Å; L589-H607 PolarHBondContact O-N 2.85Å
590	T	97.9	Very high	96.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	153.3	162.3	68.5	0	0	0	0	109.2	L561 G576 N577 E578 I580 C604 L605 V632	L561-T590 HydrophobicContact CD1-CG2 4.38Å; G576-T590 WeakPolarHBondContact CA-OG1 3.37Å; N577-T590 VanDerWaalsContact CA-O 3.23Å; N577-T590 WeakPolarHBondContact CA-O 3.41Å; N577-T590 PolarHBondContact N-O 3.35Å; N577-T590 PolarHBondContact N-OG1 3.48Å; E578-T590 HydrophobicContact CB-CG2 3.98Å; E578-T590 PolarHBondContact N-OG1 3.34Å; E578-T590 PolarHBondContact O-N 3.33Å; E578-T590 WeakPolarHBondContact OE2-CB 3.36Å; E578-T590 PolarHBondContact OE2-OG1 2.77Å; I580-T590 HydrophobicContact CD1-CG2 4.28Å; I580-T590 HydrophobicContact CG1-CG2 4.02Å; T590-C604 HydrophobicContact CG2-CB 3.64Å; T590-L605 CarbonylContact C-O 3.58Å; T590-L605 WeakPolarHBondContact CA-O 3.27Å; T590-L605 WeakPolarHBondContact CB-O 3.33Å; T590-V632 HydrophobicContact CG2-CG1 4.06Å; T590-V632 HydrophobicContact CG2-CG2 4.4Å
591	T	96.4	Very high	96.4	Very high	24 Å²	24	40.4 Å²	40.4	15%	0.147	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-36.3	177	49.6	0	0	0	0	111.6	V519 D520 L605	V519-T591 WeakPolarHBondContact CG1-O 3.36Å; V519-T591 WeakPolarHBondContact O-CB 3.49Å; V519-T591 WeakPolarHBondContact O-CG2 3.1Å; D520-T591 WeakPolarHBondContact OD1-CB 3.1Å; D520-T591 PolarHBondContact OD1-OG1 3.18Å; T591-L605 PolarHBondContact N-O 3.37Å; T591-L605 PolarHBondContact OG1-O 2.73Å
592	S	96	Very high	96.3	Very high	3 Å²	3	39 Å²	39	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.1	-177.4	-63.2	0	0	0	0	110	R509 V519 D520 C604 L605	R509-S592 PolarHBondContact NH1-OG 2.86Å; R509-S592 VanDerWaalsContact NH2-CB 3.27Å; R509-S592 PolarHBondContact NH2-OG 3.41Å; V519-S592 WeakPolarHBondContact CG1-OG 3.15Å; D520-S592 VanDerWaalsContact CG-OG 3.32Å; D520-S592 WeakPolarHBondContact OD1-CB 3.35Å; D520-S592 PolarHBondContact OD1-OG 3.35Å; D520-S592 PolarHBondContact OD2-OG 3.01Å; S592-C604 CarbonylContact O-C 3.6Å; S592-C604 VanDerWaalsContact O-CA 3.26Å; S592-C604 WeakPolarHBondContact O-CA 3.39Å; S592-L605 PolarHBondContact N-O 2.78Å; S592-L605 PolarHBondContact O-N 3.08Å
593	A	95.6	Very high	96.3	Very high	21 Å²	21	37.2 Å²	37.2	17%	0.174	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	147.1	173.9	0	0	0	0	0	111.2	I510 P574 V603	I510-A593 WeakPolarHBondContact CD1-O 3.28Å; P574-A593 VanDerWaalsContact C-CB 3.47Å; P574-A593 HydrophobicContact CB-CB 3.67Å; P574-A593 HydrophobicContact CG-CB 3.9Å; P574-A593 WeakPolarHBondContact O-CB 3.14Å; A593-V603 WeakPolarHBondContact CA-O 3.35Å
594	A	94.9	Very high	96.3	Very high	13 Å²	13	33.1 Å²	33.1	11%	0.107	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	162.7	169.2	0	0	0	0	0	110.5	I510 Q602 V603	I510-A594 HydrophobicContact CB-CB 4.34Å; I510-A594 HydrophobicContact CD1-CB 3.55Å; I510-A594 HydrophobicContact CG2-CB 4.39Å; A594-Q602 VanDerWaalsContact C-OE1 3.3Å; A594-Q602 PolarHBondContact O-OE1 2.99Å; A594-V603 PolarHBondContact N-O 3.21Å; A594-V603 PolarHBondContact O-N 3.23Å; A594-V603 VanDerWaalsContact O-O 3.13Å
595	Y	96	Very high	96.4	Very high	33 Å²	33	31.5 Å²	31.5	13%	0.129	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	122.9	166.3	-168.5	-99.3	0	0	0	109.9	F286 I568 W573 F597 G600 Q602	F286-Y595 AromaticContact CE2-CD1 3.63Å; F286-Y595 HydrophobicContact CE2-CD1 3.63Å; F286-Y595 HydrophobicContact CE2-CE1 4.24Å; F286-Y595 AromaticContact CE2-CG 3.78Å; F286-Y595 HydrophobicContact CE2-CG 3.78Å; F286-Y595 AromaticContact CZ-CD1 3.82Å; F286-Y595 HydrophobicContact CZ-CD1 3.82Å; F286-Y595 AromaticContact CZ-CE1 3.96Å; F286-Y595 HydrophobicContact CZ-CE1 3.96Å; F286-Y595 HydrophobicContact CZ-CG 4.31Å; I568-Y595 HydrophobicContact CG2-CD2 4.06Å; I568-Y595 HydrophobicContact CG2-CE2 3.44Å; I568-Y595 VanDerWaalsContact CG2-CE2 3.44Å; W573-Y595 HydrophobicContact CH2-CD2 4.46Å; W573-Y595 HydrophobicContact CH2-CG 4.4Å; Y595-F597 AromaticContact CD1-CD1 3.63Å; Y595-F597 HydrophobicContact CD1-CD1 3.63Å; Y595-F597 HydrophobicContact CD1-CD2 4.35Å; Y595-F597 AromaticContact CD1-CE1 3.74Å; Y595-F597 HydrophobicContact CD1-CE1 3.74Å; Y595-F597 HydrophobicContact CD1-CE2 4.47Å; Y595-F597 AromaticContact CD1-CG 3.95Å; Y595-F597 HydrophobicContact CD1-CG 3.95Å; Y595-F597 HydrophobicContact CD1-CZ 4.18Å; Y595-F597 AromaticContact CE1-CD1 3.94Å; Y595-F597 HydrophobicContact CE1-CD1 3.94Å; Y595-F597 HydrophobicContact CE1-CE1 4.33Å; Y595-F597 HydrophobicContact CE1-CG 4.4Å; Y595-F597 WeakPolarHBondContact O-CD2 3.35Å; Y595-F597 PolarHBondContact O-N 2.86Å; Y595-G600 PolarHBondContact OH-O 3.35Å; Y595-Q602 HydrophobicContact CD2-CG 4.35Å
596	A	95.3	Very high	96.4	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	99.8	177.1	0	0	0	0	0	109.3	E511 T598 L599 G600 C601 V603	E511-A596 HydrophobicContact CB-CB 4.18Å; E511-A596 HydrophobicContact CG-CB 3.77Å; A596-T598 PolarHBondContact O-N 3.15Å; A596-L599 HydrophobicContact CB-CB 3.88Å; A596-L599 HydrophobicContact CB-CD1 4.03Å; A596-L599 HydrophobicContact CB-CG 4.26Å; A596-L599 CarbonylContact O-C 3.58Å; A596-L599 PolarHBondContact O-N 2.71Å; A596-G600 PolarHBondContact O-N 3.25Å; A596-C601 PolarHBondContact N-O 3.34Å; A596-C601 PolarHBondContact O-N 3.36Å; A596-V603 HydrophobicContact CB-CB 4.1Å; A596-V603 HydrophobicContact CB-CG2 3.38Å
597	F	94.9	Very high	96.3	Very high	36 Å²	36	19.9 Å²	19.9	16%	0.158	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-29.8	-170.8	-64.1	-88.7	0	0	0	113.7	F286 V289 A290 Y293 Y595	F286-F597 HydrophobicContact CD2-CE1 4.24Å; F286-F597 HydrophobicContact CD2-CZ 4.25Å; F286-F597 HydrophobicContact CE1-CE1 4.33Å; F286-F597 HydrophobicContact CE2-CD1 4.49Å; F286-F597 AromaticContact CE2-CE1 3.49Å; F286-F597 HydrophobicContact CE2-CE1 3.49Å; F286-F597 VanDerWaalsContact CE2-CE1 3.49Å; F286-F597 AromaticContact CE2-CZ 3.81Å; F286-F597 HydrophobicContact CE2-CZ 3.81Å; F286-F597 HydrophobicContact CZ-CD1 4.33Å; F286-F597 AromaticContact CZ-CE1 3.57Å; F286-F597 HydrophobicContact CZ-CE1 3.57Å; F286-F597 HydrophobicContact CZ-CZ 4.35Å; V289-F597 HydrophobicContact CG1-CE2 4.1Å; V289-F597 HydrophobicContact CG1-CZ 4.09Å; A290-F597 VanDerWaalsContact CA-CE1 3.44Å; A290-F597 HydrophobicContact CB-CD1 3.92Å; A290-F597 HydrophobicContact CB-CE1 3.35Å; A290-F597 HydrophobicContact CB-CZ 4.02Å; Y293-F597 HydrophobicContact CD1-CB 3.47Å; Y293-F597 VanDerWaalsContact CD1-CB 3.47Å; Y293-F597 AromaticContact CD1-CD2 3.92Å; Y293-F597 HydrophobicContact CD1-CD2 3.92Å; Y293-F597 AromaticContact CD1-CG 3.87Å; Y293-F597 HydrophobicContact CD1-CG 3.87Å; Y293-F597 HydrophobicContact CD2-CB 4.31Å; Y293-F597 AromaticContact CD2-CD2 3.47Å; Y293-F597 HydrophobicContact CD2-CD2 3.47Å; Y293-F597 VanDerWaalsContact CD2-CD2 3.47Å; Y293-F597 HydrophobicContact CD2-CE2 4.2Å; Y293-F597 HydrophobicContact CD2-CG 4.25Å; Y293-F597 HydrophobicContact CE1-CB 3.43Å; Y293-F597 VanDerWaalsContact CE1-CB 3.43Å; Y293-F597 HydrophobicContact CE1-CD2 4.41Å; Y293-F597 HydrophobicContact CE1-CG 4.28Å; Y293-F597 HydrophobicContact CE2-CB 4.24Å; Y293-F597 AromaticContact CE2-CD2 3.97Å; Y293-F597 HydrophobicContact CE2-CD2 3.97Å; Y293-F597 HydrophobicContact CG-CB 3.96Å; Y293-F597 AromaticContact CG-CD2 3.45Å; Y293-F597 HydrophobicContact CG-CD2 3.45Å; Y293-F597 VanDerWaalsContact CG-CD2 3.45Å; Y293-F597 HydrophobicContact CG-CE2 4.18Å; Y293-F597 AromaticContact CG-CG 3.89Å; Y293-F597 HydrophobicContact CG-CG 3.89Å; Y595-F597 AromaticContact CD1-CD1 3.63Å; Y595-F597 HydrophobicContact CD1-CD1 3.63Å; Y595-F597 HydrophobicContact CD1-CD2 4.35Å; Y595-F597 AromaticContact CD1-CE1 3.74Å; Y595-F597 HydrophobicContact CD1-CE1 3.74Å; Y595-F597 HydrophobicContact CD1-CE2 4.47Å; Y595-F597 AromaticContact CD1-CG 3.95Å; Y595-F597 HydrophobicContact CD1-CG 3.95Å; Y595-F597 HydrophobicContact CD1-CZ 4.18Å; Y595-F597 AromaticContact CE1-CD1 3.94Å; Y595-F597 HydrophobicContact CE1-CD1 3.94Å; Y595-F597 HydrophobicContact CE1-CE1 4.33Å; Y595-F597 HydrophobicContact CE1-CG 4.4Å; Y595-F597 WeakPolarHBondContact O-CD2 3.35Å; Y595-F597 PolarHBondContact O-N 2.86Å
598	T	93.8	Very high	96.3	Very high	53 Å²	53	19.6 Å²	19.6	33%	0.325	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-36.7	174	-57.7	0	0	0	0	110.8	Y293 E511 A596 L650 P651	Y293-T598 PolarHBondContact OH-OG1 3.31Å; E511-T598 WeakPolarHBondContact OE1-CA 3.24Å; E511-T598 WeakPolarHBondContact OE1-CB 3.16Å; E511-T598 PolarHBondContact OE1-N 3.09Å; A596-T598 PolarHBondContact O-N 3.15Å; T598-L650 HydrophobicContact CG2-CD2 4.36Å; T598-P651 HydrophobicContact CG2-CG 3.89Å
599	L	93.3	Very high	96.3	Very high	59 Å²	59	20.8 Å²	20.8	31%	0.309	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-16.8	178.1	-62.5	175.1	0	0	0	114	E511 L562 A596 C601 V603 P648 L650	E511-L599 HydrophobicContact CG-CD1 3.92Å; E511-L599 HydrophobicContact CG-CG 4.09Å; E511-L599 WeakPolarHBondContact OE1-CG 3.47Å; E511-L599 PolarHBondContact OE1-N 3.38Å; L562-L599 HydrophobicContact CD2-CD1 4.14Å; L562-L599 HydrophobicContact CG-CD1 4.37Å; A596-L599 HydrophobicContact CB-CB 3.88Å; A596-L599 HydrophobicContact CB-CD1 4.03Å; A596-L599 HydrophobicContact CB-CG 4.26Å; A596-L599 CarbonylContact O-C 3.58Å; A596-L599 PolarHBondContact O-N 2.71Å; L599-C601 PolarHBondContact O-N 3.36Å; L599-V603 HydrophobicContact CD1-CG2 4.22Å; L599-P648 HydrophobicContact CD1-CG 4.25Å; L599-L650 HydrophobicContact CD1-CD2 4.47Å; L599-L650 HydrophobicContact CD2-CD2 3.75Å; L599-L650 HydrophobicContact CG-CD2 3.97Å
600	G	95.1	Very high	96.1	Very high	45 Å²	45	17.2 Å²	17.2	46%	0.464	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	20.5	177.4	0	0	0	0	0	115.5	Y595 A596	Y595-G600 PolarHBondContact OH-O 3.35Å; A596-G600 PolarHBondContact O-N 3.25Å
601	C	96.3	Very high	95.5	Very high	25 Å²	25	22.6 Å²	22.6	17%	0.169	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	167.1	-176.8	60.5	0	0	0	0	113	A596 L599	A596-C601 PolarHBondContact N-O 3.34Å; A596-C601 PolarHBondContact O-N 3.36Å; L599-C601 PolarHBondContact O-N 3.36Å
602	Q	96.7	Very high	94.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	135.8	167.6	-69.7	-66.1	0.2	0	0	110.5	L563 H566 W573 P574 A594 Y595	L563-Q602 HydrophobicContact CB-CB 4.12Å; L563-Q602 HydrophobicContact CD1-CB 4.16Å; L563-Q602 HydrophobicContact CD2-CB 3.72Å; L563-Q602 HydrophobicContact CD2-CG 4.35Å; L563-Q602 HydrophobicContact CG-CB 4.2Å; L563-Q602 PolarHBondContact N-O 3.15Å; H566-Q602 WeakPolarHBondContact ND1-CG 3.09Å; W573-Q602 VanDerWaalsContact CZ3-NE2 3.33Å; P574-Q602 HydrophobicContact CG-CB 4.26Å; P574-Q602 HydrophobicContact CG-CG 4.38Å; A594-Q602 VanDerWaalsContact C-OE1 3.3Å; A594-Q602 PolarHBondContact O-OE1 2.99Å; Y595-Q602 HydrophobicContact CD2-CG 4.35Å
603	V	97.5	Very high	94.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.6	178.2	176.8	0	0	0	0	109.8	I510 Q560 L561 L562 A593 A594 A596 L599 L605	I510-V603 HydrophobicContact CG2-CB 4.07Å; I510-V603 HydrophobicContact CG2-CG1 3.71Å; Q560-V603 HydrophobicContact CG-CG1 3.53Å; L561-V603 WeakPolarHBondContact O-CA 2.93Å; L562-V603 HydrophobicContact CD1-CG1 4.37Å; L562-V603 HydrophobicContact CD1-CG2 4.14Å; L562-V603 HydrophobicContact CG-CG2 3.93Å; A593-V603 WeakPolarHBondContact CA-O 3.35Å; A594-V603 PolarHBondContact N-O 3.21Å; A594-V603 PolarHBondContact O-N 3.23Å; A594-V603 VanDerWaalsContact O-O 3.13Å; A596-V603 HydrophobicContact CB-CB 4.1Å; A596-V603 HydrophobicContact CB-CG2 3.38Å; L599-V603 HydrophobicContact CD1-CG2 4.22Å; V603-L605 HydrophobicContact CG1-CD2 4.43Å
604	C	98	Very high	94.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	145.8	169.8	-58.8	0	0	0	0	110.4	Q560 L561 P574 T590 S592	Q560-C604 CarbonylContact C-O 3.23Å; Q560-C604 WeakPolarHBondContact CA-O 3.42Å; L561-C604 HydrophobicContact CB-CB 4.36Å; L561-C604 PolarHBondContact N-O 2.57Å; L561-C604 PolarHBondContact O-N 3.06Å; P574-C604 VanDerWaalsContact CB-SG 3.54Å; T590-C604 HydrophobicContact CG2-CB 3.64Å; S592-C604 CarbonylContact O-C 3.6Å; S592-C604 VanDerWaalsContact O-CA 3.26Å; S592-C604 WeakPolarHBondContact O-CA 3.39Å
605	L	98.1	Very high	93.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	153.3	161.2	-50.5	-169.6	0	0	0	108.2	I510 F513 F558 V559 Q560 T590 T591 S592 V603	I510-L605 HydrophobicContact CG1-CD1 4.3Å; I510-L605 HydrophobicContact CG1-CG 4.44Å; I510-L605 HydrophobicContact CG2-CD2 4.18Å; I510-L605 HydrophobicContact CG2-CG 4.13Å; F513-L605 HydrophobicContact CD2-CD1 4.15Å; F513-L605 HydrophobicContact CD2-CD2 3.51Å; F513-L605 HydrophobicContact CD2-CG 4.39Å; F513-L605 HydrophobicContact CE2-CD2 3.92Å; F558-L605 HydrophobicContact CE1-CB 4.48Å; F558-L605 HydrophobicContact CE1-CD1 4.21Å; F558-L605 HydrophobicContact CE2-CB 3.91Å; F558-L605 HydrophobicContact CZ-CB 3.58Å; F558-L605 HydrophobicContact CZ-CD1 3.69Å; F558-L605 HydrophobicContact CZ-CG 4.2Å; V559-L605 WeakPolarHBondContact O-CA 3.36Å; Q560-L605 HydrophobicContact CB-CD2 3.88Å; Q560-L605 HydrophobicContact CG-CD2 3.74Å; T590-L605 CarbonylContact C-O 3.58Å; T590-L605 WeakPolarHBondContact CA-O 3.27Å; T590-L605 WeakPolarHBondContact CB-O 3.33Å; T591-L605 PolarHBondContact N-O 3.37Å; T591-L605 PolarHBondContact OG1-O 2.73Å; S592-L605 PolarHBondContact N-O 2.78Å; S592-L605 PolarHBondContact O-N 3.08Å; V603-L605 HydrophobicContact CG1-CD2 4.43Å
606	G	97.5	Very high	93.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	-177.4	-179.9	0	0	0	0	0	113.7	F558 V559 L589	F558-G606 CarbonylContact C-O 3.45Å; F558-G606 VanDerWaalsContact CA-O 3.27Å; F558-G606 WeakPolarHBondContact CA-O 3.49Å; F558-G606 WeakPolarHBondContact CD2-O 3.37Å; V559-G606 PolarHBondContact N-O 3.06Å; V559-G606 PolarHBondContact O-N 3.38Å; L589-G606 VanDerWaalsContact O-CA 3.27Å; L589-G606 WeakPolarHBondContact O-CA 3.23Å
607	H	96.6	Very high	93.1	Very high	16 Å²	16	44.4 Å²	44.4	7%	0.074	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.4	176.8	-67.9	-95	0	0	0	110.5	D520 R556 R557 F558 G588 L589	D520-H607 PolarHBondContact O-NE2 3.48Å; R556-H607 HydrophobicContact CB-CB 4.3Å; R556-H607 HydrophobicContact CG-CB 4.47Å; R557-H607 WeakPolarHBondContact O-CA 3.19Å; F558-H607 AromaticContact CD2-CD2 3.85Å; F558-H607 AromaticContact CD2-CE1 3.6Å; F558-H607 AromaticContact CD2-NE2 3.45Å; F558-H607 WeakPolarHBondContact CD2-NE2 3.43Å; G588-H607 WeakPolarHBondContact CA-O 3.27Å; L589-H607 PolarHBondContact N-O 3.39Å; L589-H607 PolarHBondContact O-N 2.85Å
608	V	97.4	Very high	93	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.8	173.7	-64.3	0	0	0	0	111.2	R556 R557 V559 I580 C587 V623 Y630	R556-V608 CarbonylContact C-O 3.59Å; R556-V608 WeakPolarHBondContact CA-O 3.32Å; R556-V608 WeakPolarHBondContact CB-O 3.37Å; R557-V608 HydrophobicContact CB-CG2 4.37Å; R557-V608 PolarHBondContact N-O 2.91Å; R557-V608 PolarHBondContact O-N 3.03Å; V559-V608 HydrophobicContact CG1-CG2 3.83Å; V559-V608 HydrophobicContact CG2-CG1 3.88Å; V559-V608 HydrophobicContact CG2-CG2 4.33Å; I580-V608 HydrophobicContact CD1-CG1 4.09Å; I580-V608 HydrophobicContact CG2-CG1 3.91Å; C587-V608 CarbonylContact O-C 3.57Å; C587-V608 WeakPolarHBondContact O-CA 3.48Å; V608-V623 HydrophobicContact CG2-CG1 4.32Å; V608-V623 HydrophobicContact CG2-CG2 3.89Å; V608-Y630 HydrophobicContact CG1-CE1 4.28Å
609	S	96.5	Very high	92.9	Very high	33 Å²	33	44 Å²	44	23%	0.231	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	138.2	178.4	68	0	0	0	0	111.6	R582 C587	R582-S609 PolarHBondContact NH1-O 3.37Å; R582-S609 VanDerWaalsContact NH1-O 3.07Å; R582-S609 PolarHBondContact NH2-O 3Å; C587-S609 PolarHBondContact O-N 3.35Å; C587-S609 PolarHBondContact O-OG 3.47Å
610	V	95.1	Very high	93	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.			trans	-133.9	29.1	179.5	-60.9	0	0	0	0	110.5	V554 R555 R557 G612 C613 A619 F622 V623	V554-V610 HydrophobicContact CB-CG2 4.45Å; V554-V610 HydrophobicContact CG2-CG2 3.87Å; V554-V610 WeakPolarHBondContact O-CG2 3.43Å; R555-V610 PolarHBondContact O-N 2.97Å; R557-V610 HydrophobicContact CB-CG1 4.24Å; R557-V610 HydrophobicContact CG-CG1 3.86Å; R557-V610 HydrophobicContact CG-CG2 4.06Å; V610-G612 PolarHBondContact O-N 3.06Å; V610-C613 VanDerWaalsContact O-CB 3.28Å; V610-C613 WeakPolarHBondContact O-CB 3.3Å; V610-C613 PolarHBondContact O-N 3.08Å; V610-C613 VanDerWaalsContact O-N 3.09Å; V610-C613 PolarHBondContact O-SG 2.88Å; V610-A619 HydrophobicContact CB-CB 4.11Å; V610-A619 HydrophobicContact CG1-CB 4.34Å; V610-A619 HydrophobicContact CG2-CB 3.92Å; V610-F622 HydrophobicContact CB-CD1 4.17Å; V610-F622 HydrophobicContact CG1-CD1 3.98Å; V610-F622 HydrophobicContact CG1-CE1 4.44Å; V610-V623 HydrophobicContact CG1-CG2 3.41Å; V610-V623 VanDerWaalsContact CG1-CG2 3.41Å
611	D	84.6	Confident	92.9	Very high	113 Å²	113	43.3 Å²	43.3	60%	0.604	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	136.8	-178.6	-64.5	-48.7	0	0	0	111.3
612	G	84.8	Confident	92.9	Very high	69 Å²	69	45 Å²	45	71%	0.711	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.2	-19.1	-173.7	0	0	0	0	0	114.6	V610 K614	V610-G612 PolarHBondContact O-N 3.06Å; G612-K614 PolarHBondContact O-N 2.96Å
613	C	90	Very high	92.9	Very high	11 Å²	11	45.2 Å²	45.2	7%	0.074	24%	0.242	C	C	.	.			trans	-71.8	127.2	176	-63.3	0	0	0	0	111.5	V610 E618 A619	V610-C613 VanDerWaalsContact O-CB 3.28Å; V610-C613 WeakPolarHBondContact O-CB 3.3Å; V610-C613 PolarHBondContact O-N 3.08Å; V610-C613 VanDerWaalsContact O-N 3.09Å; V610-C613 PolarHBondContact O-SG 2.88Å; C613-E618 HydrophobicContact CB-CB 4.35Å; C613-E618 HydrophobicContact CB-CG 4.14Å; C613-A619 HydrophobicContact CB-CB 3.96Å
614	K	86	Confident	92.8	Very high	163 Å²	163	50.5 Å²	50.5	71%	0.709	27%	0.266	S	S	*	.			trans	-93.1	-2.1	-178.4	-58.3	-179.3	-177.9	177.4	0	113.5	S552 G612 E618	S552-K614 CarbonylContact C-O 3.58Å; S552-K614 VanDerWaalsContact C-O 3.31Å; S552-K614 CarbonylContact O-C 3.38Å; S552-K614 VanDerWaalsContact O-C 3.27Å; S552-K614 WeakPolarHBondContact O-CA 3.23Å; G612-K614 PolarHBondContact O-N 2.96Å; K614-E618 WeakPolarHBondContact CB-OE2 3.3Å; K614-E618 PolarHBondContact N-OE2 3.06Å
615	S	86.9	Confident	92.6	Very high	49 Å²	49	53.6 Å²	53.6	34%	0.343	28%	0.283	S	S	.	.	S	Bend	trans	-152.9	160.4	177.2	70.1	0	0	0	0	111.7	R617 E618 A619	S615-R617 VanDerWaalsContact C-N 3.27Å; S615-R617 PolarHBondContact O-N 2.91Å; S615-E618 PolarHBondContact O-N 3.46Å; S615-E618 VanDerWaalsContact OG-CB 3.3Å; S615-E618 WeakPolarHBondContact OG-CB 3.06Å; S615-E618 PolarHBondContact OG-N 3.01Å; S615-E618 VanDerWaalsContact OG-N 3.09Å; S615-A619 WeakPolarHBondContact O-CB 3.49Å; S615-A619 PolarHBondContact O-N 2.93Å
616	L	86.5	Confident	92.4	Very high	55 Å²	55	63.3 Å²	63.3	29%	0.288	33%	0.325	S	S	.	.	H	α-helix	trans	-60.4	-38.5	173.7	-177.4	61	0	0	0	111.7	V554 A619 D620	V554-L616 HydrophobicContact CG1-CD1 4.34Å; L616-A619 PolarHBondContact O-N 2.83Å; L616-D620 WeakPolarHBondContact O-CB 3.36Å; L616-D620 PolarHBondContact O-N 3.02Å
617	R	89.4	Confident	92.4	Very high	205 Å²	205	69.4 Å²	69.4	77%	0.774	36%	0.358	S	S	*	.	H	α-helix	trans	-65	-41	178.4	-175.4	178.9	180	179.5	0.6	112.2	S615 S621	S615-R617 VanDerWaalsContact C-N 3.27Å; S615-R617 PolarHBondContact O-N 2.91Å; R617-S621 WeakPolarHBondContact O-CB 3.35Å; R617-S621 PolarHBondContact O-N 3.31Å; R617-S621 PolarHBondContact O-OG 3.31Å
618	E	92.7	Very high	92.4	Very high	81 Å²	81	70.8 Å²	70.8	38%	0.379	36%	0.364	S	S	.	.	H	α-helix	trans	-64.9	-44.9	174.8	-174	-178.5	176.7	0	0	110.8	C613 K614 S615 D620 S621 F622	C613-E618 HydrophobicContact CB-CB 4.35Å; C613-E618 HydrophobicContact CB-CG 4.14Å; K614-E618 WeakPolarHBondContact CB-OE2 3.3Å; K614-E618 PolarHBondContact N-OE2 3.06Å; S615-E618 PolarHBondContact O-N 3.46Å; S615-E618 VanDerWaalsContact OG-CB 3.3Å; S615-E618 WeakPolarHBondContact OG-CB 3.06Å; S615-E618 PolarHBondContact OG-N 3.01Å; S615-E618 VanDerWaalsContact OG-N 3.09Å; E618-D620 PolarHBondContact O-N 2.91Å; E618-S621 PolarHBondContact O-N 3.37Å; E618-F622 VanDerWaalsContact O-CB 3.3Å; E618-F622 WeakPolarHBondContact O-CB 3.37Å; E618-F622 PolarHBondContact O-N 3.35Å
619	A	93.1	Very high	92.3	Very high	0 Å²	0	75 Å²	75	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-61.2	-43.4	176.3	0	0	0	0	0	112.9	V554 R557 V610 C613 S615 L616 F622 V623	V554-A619 HydrophobicContact CG2-CB 3.3Å; R557-A619 HydrophobicContact CG-CB 3.94Å; V610-A619 HydrophobicContact CB-CB 4.11Å; V610-A619 HydrophobicContact CG1-CB 4.34Å; V610-A619 HydrophobicContact CG2-CB 3.92Å; C613-A619 HydrophobicContact CB-CB 3.96Å; S615-A619 WeakPolarHBondContact O-CB 3.49Å; S615-A619 PolarHBondContact O-N 2.93Å; L616-A619 PolarHBondContact O-N 2.83Å; A619-F622 PolarHBondContact O-N 3.4Å; A619-V623 WeakPolarHBondContact O-CG2 3.48Å; A619-V623 PolarHBondContact O-N 3.47Å
620	D	93.7	Very high	92.4	Very high	18 Å²	18	74.2 Å²	74.2	10%	0.096	38%	0.381	C	S	.	.	H	α-helix	trans	-62.1	-44.8	176.1	-74.9	-9.3	0	0	0	110.7	R557 L616 E618 F622 V623 Q624 L645 Y646	R557-D620 IonicContact CZ-OD1 2.72Å; R557-D620 VanDerWaalsContact CZ-OD1 3.24Å; R557-D620 IonicContact NE-OD1 3.08Å; R557-D620 PolarHBondContact NE-OD1 3.29Å; R557-D620 IonicContact NH2-OD1 3.24Å; R557-D620 PolarHBondContact NH2-OD1 3.39Å; R557-D620 IonicContact NH2-OD2 3.95Å; L616-D620 WeakPolarHBondContact O-CB 3.36Å; L616-D620 PolarHBondContact O-N 3.02Å; E618-D620 PolarHBondContact O-N 2.91Å; D620-F622 VanDerWaalsContact C-N 3.33Å; D620-F622 PolarHBondContact O-N 2.75Å; D620-V623 PolarHBondContact O-N 2.68Å; D620-Q624 WeakPolarHBondContact O-CB 3.31Å; D620-Q624 WeakPolarHBondContact O-CG 3.44Å; D620-Q624 PolarHBondContact O-N 2.86Å; D620-L645 HydrophobicContact CB-CD1 3.74Å; D620-Y646 PolarHBondContact OD2-OH 2.9Å; D620-Y646 VanDerWaalsContact OD2-OH 3.07Å
621	S	94.6	Very high	92.6	Very high	72 Å²	72	76.5 Å²	76.5	50%	0.503	39%	0.392	S	S	.	.	H	α-helix	trans	-64	-38.4	177.3	-54.9	0	0	0	0	112.3	R617 E618 Q624 N625	R617-S621 WeakPolarHBondContact O-CB 3.35Å; R617-S621 PolarHBondContact O-N 3.31Å; R617-S621 PolarHBondContact O-OG 3.31Å; E618-S621 PolarHBondContact O-N 3.37Å; S621-Q624 PolarHBondContact O-N 3.19Å; S621-N625 PolarHBondContact O-N 3.49Å
622	F	95.4	Very high	93.3	Very high	61 Å²	61	71.1 Å²	71.1	27%	0.268	36%	0.363	S	S	.	.	H	α-helix	trans	-66	-47.5	177.7	177.6	-107.6	0	0	0	111.5	R582 V610 E618 A619 D620 Q624 N625 F628	R582-F622 VanDerWaalsContact CZ-CE1 3.48Å; V610-F622 HydrophobicContact CB-CD1 4.17Å; V610-F622 HydrophobicContact CG1-CD1 3.98Å; V610-F622 HydrophobicContact CG1-CE1 4.44Å; E618-F622 VanDerWaalsContact O-CB 3.3Å; E618-F622 WeakPolarHBondContact O-CB 3.37Å; E618-F622 PolarHBondContact O-N 3.35Å; A619-F622 PolarHBondContact O-N 3.4Å; D620-F622 VanDerWaalsContact C-N 3.33Å; D620-F622 PolarHBondContact O-N 2.75Å; F622-Q624 VanDerWaalsContact C-N 3.25Å; F622-Q624 PolarHBondContact O-N 3.41Å; F622-N625 VanDerWaalsContact O-CB 3.3Å; F622-N625 WeakPolarHBondContact O-CB 3.17Å; F622-N625 PolarHBondContact O-N 3.15Å; F622-F628 HydrophobicContact CD1-CE2 4.34Å; F622-F628 AromaticContact CD2-CE2 3.79Å; F622-F628 HydrophobicContact CD2-CE2 3.79Å; F622-F628 HydrophobicContact CD2-CZ 4.03Å; F622-F628 HydrophobicContact CE1-CE2 4.2Å; F622-F628 AromaticContact CE2-CE2 3.59Å; F622-F628 HydrophobicContact CE2-CE2 3.59Å; F622-F628 AromaticContact CE2-CZ 3.5Å; F622-F628 HydrophobicContact CE2-CZ 3.5Å; F622-F628 VanDerWaalsContact CE2-CZ 3.5Å; F622-F628 HydrophobicContact CG-CE2 4.16Å; F622-F628 AromaticContact CZ-CE2 3.81Å; F622-F628 HydrophobicContact CZ-CE2 3.81Å; F622-F628 AromaticContact CZ-CZ 3.89Å; F622-F628 HydrophobicContact CZ-CZ 3.89Å; F622-F628 VanDerWaalsContact O-CD2 3.22Å; F622-F628 WeakPolarHBondContact O-CD2 3.15Å; F622-F628 WeakPolarHBondContact O-CE2 3.48Å
623	V	96.2	Very high	93.9	Very high	3 Å²	3	70.1 Å²	70.1	2%	0.018	34%	0.34	C	S	.	.	H	α-helix	trans	-63.5	-32.7	177.7	172.7	0	0	0	0	111.9	R557 V559 V608 V610 A619 D620 N625 Y630 L643 L645	R557-V623 HydrophobicContact CB-CG2 4.22Å; R557-V623 HydrophobicContact CG-CG2 4.35Å; V559-V623 HydrophobicContact CG1-CG1 4.05Å; V608-V623 HydrophobicContact CG2-CG1 4.32Å; V608-V623 HydrophobicContact CG2-CG2 3.89Å; V610-V623 HydrophobicContact CG1-CG2 3.41Å; V610-V623 VanDerWaalsContact CG1-CG2 3.41Å; A619-V623 WeakPolarHBondContact O-CG2 3.48Å; A619-V623 PolarHBondContact O-N 3.47Å; D620-V623 PolarHBondContact O-N 2.68Å; V623-N625 VanDerWaalsContact C-N 3.33Å; V623-Y630 WeakPolarHBondContact O-CE2 3.27Å; V623-Y630 PolarHBondContact O-OH 3.19Å; V623-L643 HydrophobicContact CG1-CD1 3.83Å; V623-L643 HydrophobicContact CG1-CD2 3.47Å; V623-L643 VanDerWaalsContact CG1-CD2 3.47Å; V623-L643 HydrophobicContact CG1-CG 4.34Å; V623-L645 HydrophobicContact CB-CD2 4.37Å; V623-L645 HydrophobicContact CG1-CD2 3.95Å; V623-L645 HydrophobicContact CG1-CG 4.34Å
624	Q	95	Very high	94.1	Very high	112 Å²	112	69.9 Å²	69.9	52%	0.523	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	8.4	178.8	-68.3	-177.5	-40.5	0	0	114.4	D620 S621 F622 K626 L645	D620-Q624 WeakPolarHBondContact O-CB 3.31Å; D620-Q624 WeakPolarHBondContact O-CG 3.44Å; D620-Q624 PolarHBondContact O-N 2.86Å; S621-Q624 PolarHBondContact O-N 3.19Å; F622-Q624 VanDerWaalsContact C-N 3.25Å; F622-Q624 PolarHBondContact O-N 3.41Å; Q624-K626 PolarHBondContact O-N 2.88Å; Q624-L645 HydrophobicContact CG-CD1 3.58Å; Q624-L645 HydrophobicContact CG-CG 4.27Å
625	N	95.5	Very high	94.3	Very high	64 Å²	64	65.9 Å²	65.9	34%	0.342	34%	0.335	S	S	.	.			trans	-61	122.3	179.2	-173	-26.8	0	0	0	110.5	S621 F622 V623 N627 F628	S621-N625 PolarHBondContact O-N 3.49Å; F622-N625 VanDerWaalsContact O-CB 3.3Å; F622-N625 WeakPolarHBondContact O-CB 3.17Å; F622-N625 PolarHBondContact O-N 3.15Å; V623-N625 VanDerWaalsContact C-N 3.33Å; N625-N627 PolarHBondContact O-N 3.21Å; N625-N627 VanDerWaalsContact O-N 3.12Å; N625-N627 WeakPolarHBondContact OD1-CB 3.44Å; N625-N627 PolarHBondContact OD1-N 3.37Å; N625-F628 HydrophobicContact CB-CD2 3.71Å; N625-F628 HydrophobicContact CB-CE2 3.91Å; N625-F628 HydrophobicContact CB-CG 4.09Å; N625-F628 HydrophobicContact CB-CZ 4.43Å; N625-F628 WeakPolarHBondContact O-CB 3.14Å; N625-F628 PolarHBondContact O-N 2.8Å
626	K	94.1	Very high	94.6	Very high	205 Å²	205	66.5 Å²	66.5	89%	0.891	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.2	-177	-63.9	-175.4	179.3	-178.6	0	114.1	Q624 F628	Q624-K626 PolarHBondContact O-N 2.88Å; K626-F628 VanDerWaalsContact C-N 3.26Å
627	N	95.7	Very high	95	Very high	128 Å²	128	68.3 Å²	68.3	68%	0.684	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-4.5	175.8	-62.2	-18.9	0	0	0	112.8	N583 N625	N583-N627 PolarHBondContact ND2-O 2.95Å; N625-N627 PolarHBondContact O-N 3.21Å; N625-N627 VanDerWaalsContact O-N 3.12Å; N625-N627 WeakPolarHBondContact OD1-CB 3.44Å; N625-N627 PolarHBondContact OD1-N 3.37Å
628	F	96.6	Very high	95.4	Very high	45 Å²	45	63.1 Å²	63.1	20%	0.197	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-92.5	125.5	177.1	-66.8	-17	0	0	0	111.1	R582 N583 F622 N625 K626 Y630	R582-F628 HydrophobicContact CG-CB 4.07Å; R582-F628 HydrophobicContact CG-CD1 4.24Å; R582-F628 HydrophobicContact CG-CD2 4.25Å; R582-F628 HydrophobicContact CG-CG 3.96Å; N583-F628 WeakPolarHBondContact ND2-CD1 3.27Å; N583-F628 WeakPolarHBondContact OD1-CA 3.26Å; F622-F628 HydrophobicContact CD1-CE2 4.34Å; F622-F628 AromaticContact CD2-CE2 3.79Å; F622-F628 HydrophobicContact CD2-CE2 3.79Å; F622-F628 HydrophobicContact CD2-CZ 4.03Å; F622-F628 HydrophobicContact CE1-CE2 4.2Å; F622-F628 AromaticContact CE2-CE2 3.59Å; F622-F628 HydrophobicContact CE2-CE2 3.59Å; F622-F628 AromaticContact CE2-CZ 3.5Å; F622-F628 HydrophobicContact CE2-CZ 3.5Å; F622-F628 VanDerWaalsContact CE2-CZ 3.5Å; F622-F628 HydrophobicContact CG-CE2 4.16Å; F622-F628 AromaticContact CZ-CE2 3.81Å; F622-F628 HydrophobicContact CZ-CE2 3.81Å; F622-F628 AromaticContact CZ-CZ 3.89Å; F622-F628 HydrophobicContact CZ-CZ 3.89Å; F622-F628 VanDerWaalsContact O-CD2 3.22Å; F622-F628 WeakPolarHBondContact O-CD2 3.15Å; F622-F628 WeakPolarHBondContact O-CE2 3.48Å; N625-F628 HydrophobicContact CB-CD2 3.71Å; N625-F628 HydrophobicContact CB-CE2 3.91Å; N625-F628 HydrophobicContact CB-CG 4.09Å; N625-F628 HydrophobicContact CB-CZ 4.43Å; N625-F628 WeakPolarHBondContact O-CB 3.14Å; N625-F628 PolarHBondContact O-N 2.8Å; K626-F628 VanDerWaalsContact C-N 3.26Å; F628-Y630 HydrophobicContact CB-CD2 4.24Å; F628-Y630 HydrophobicContact CB-CE2 3.67Å; F628-Y630 HydrophobicContact CD2-CE2 4.41Å
629	V	97.2	Very high	95.6	Very high	89 Å²	89	59.6 Å²	59.6	54%	0.539	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-101.7	120	170.2	-177.5	0	0	0	0	107.5	R582 N583	R582-V629 CarbonylContact C-O 3.48Å; R582-V629 WeakPolarHBondContact CA-O 3.23Å; N583-V629 PolarHBondContact N-O 2.81Å; N583-V629 PolarHBondContact OD1-N 3.01Å
630	Y	98.5	Very high	95.9	Very high	15 Å²	15	61 Å²	61	6%	0.059	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140.8	177.9	-72.6	-88	0	0	0	110.7	I580 Y581 R582 V608 V623 F628 V641 L643	I580-Y630 HydrophobicContact CG2-CD1 4.41Å; Y581-Y630 VanDerWaalsContact O-CA 3.3Å; Y581-Y630 WeakPolarHBondContact O-CA 3.4Å; R582-Y630 HydrophobicContact CB-CD1 4.07Å; R582-Y630 HydrophobicContact CB-CE1 3.82Å; R582-Y630 HydrophobicContact CG-CE1 4.08Å; V608-Y630 HydrophobicContact CG1-CE1 4.28Å; V623-Y630 WeakPolarHBondContact O-CE2 3.27Å; V623-Y630 PolarHBondContact O-OH 3.19Å; F628-Y630 HydrophobicContact CB-CD2 4.24Å; F628-Y630 HydrophobicContact CB-CE2 3.67Å; F628-Y630 HydrophobicContact CD2-CE2 4.41Å; Y630-V641 PolarHBondContact O-N 3.05Å; Y630-L643 HydrophobicContact CD1-CD1 3.92Å; Y630-L643 HydrophobicContact CD2-CD1 3.84Å; Y630-L643 HydrophobicContact CE1-CD1 3.88Å; Y630-L643 HydrophobicContact CE2-CD1 3.82Å; Y630-L643 HydrophobicContact CG-CD1 3.88Å
631	E	98.6	Very high	96.1	Very high	49 Å²	49	60.7 Å²	60.7	23%	0.229	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.3	177.2	-56.6	174.5	110.2	0	0	110.3	I580 Y581 R638 F639	I580-E631 WeakPolarHBondContact CA-O 3.45Å; Y581-E631 PolarHBondContact N-O 3.37Å; Y581-E631 PolarHBondContact O-N 2.77Å; E631-R638 IonicContact OE2-NH1 3.62Å; E631-F639 CarbonylContact C-O 3.44Å; E631-F639 WeakPolarHBondContact CA-O 3.28Å
632	V	98.6	Very high	96.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.7	168.8	176.4	0	0	0	0	108.2	L561 E578 L579 I580 T590 I634 F639 V641	L561-V632 HydrophobicContact CB-CG2 4.38Å; L561-V632 HydrophobicContact CD1-CG2 3.76Å; E578-V632 HydrophobicContact CB-CG1 3.75Å; E578-V632 HydrophobicContact CG-CG1 4.42Å; L579-V632 WeakPolarHBondContact O-CA 3.24Å; I580-V632 HydrophobicContact CG1-CG2 4.44Å; T590-V632 HydrophobicContact CG2-CG1 4.06Å; T590-V632 HydrophobicContact CG2-CG2 4.4Å; V632-I634 HydrophobicContact CG1-CD1 4.39Å; V632-I634 HydrophobicContact CG1-CG1 3.93Å; V632-F639 PolarHBondContact N-O 2.86Å; V632-F639 PolarHBondContact O-N 2.71Å; V632-V641 HydrophobicContact CB-CG1 4.31Å; V632-V641 HydrophobicContact CG2-CG1 3.8Å
633	E	97.7	Very high	96.2	Very high	48 Å²	48	60.7 Å²	60.7	22%	0.224	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.8	177	-170.6	178.6	109.4	0	0	110.8	E578 L579 Y581 K637 R638	E578-E633 WeakPolarHBondContact CB-O 3.38Å; L579-E633 HydrophobicContact CB-CB 4.36Å; L579-E633 PolarHBondContact O-N 2.89Å; Y581-E633 HydrophobicContact CD2-CB 4.29Å; Y581-E633 HydrophobicContact CE2-CB 3.78Å; E633-K637 CarbonylContact C-O 3.53Å; E633-K637 WeakPolarHBondContact CA-O 3.49Å; E633-R638 HydrophobicContact CB-CG 4.15Å; E633-R638 HydrophobicContact CG-CG 4.13Å; E633-R638 IonicContact OE2-CZ 3.19Å; E633-R638 IonicContact OE2-NE 3.29Å; E633-R638 PolarHBondContact OE2-NE 3.23Å; E633-R638 IonicContact OE2-NH2 3.74Å
634	I	94.9	Very high	96.2	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.026	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	115.6	-176.8	-43	176.8	0	0	0	107.5	L563 P572 P574 E578 V632 G636 K637 F639	L563-I634 HydrophobicContact CD2-CD1 3.34Å; L563-I634 HydrophobicContact CG-CD1 4.47Å; P572-I634 HydrophobicContact CB-CB 4.38Å; P572-I634 HydrophobicContact CB-CG2 3.84Å; P572-I634 HydrophobicContact CG-CB 4.12Å; P572-I634 HydrophobicContact CG-CG2 4.13Å; P572-I634 VanDerWaalsContact CG-O 3.3Å; P572-I634 WeakPolarHBondContact CG-O 3.33Å; P574-I634 HydrophobicContact CB-CD1 3.87Å; P574-I634 HydrophobicContact CB-CG1 4.43Å; P574-I634 HydrophobicContact CB-CG2 4.44Å; P574-I634 HydrophobicContact CG-CD1 3.98Å; E578-I634 HydrophobicContact CG-CG1 4.27Å; E578-I634 HydrophobicContact CG-CG2 4.45Å; V632-I634 HydrophobicContact CG1-CD1 4.39Å; V632-I634 HydrophobicContact CG1-CG1 3.93Å; I634-G636 PolarHBondContact O-N 2.71Å; I634-G636 VanDerWaalsContact O-N 3.15Å; I634-K637 PolarHBondContact N-O 3.31Å; I634-K637 PolarHBondContact O-N 3.12Å; I634-F639 HydrophobicContact CB-CD2 4.31Å; I634-F639 HydrophobicContact CB-CE2 4.03Å; I634-F639 HydrophobicContact CD1-CD2 3.75Å; I634-F639 HydrophobicContact CD1-CE2 3.98Å; I634-F639 HydrophobicContact CG1-CD2 3.92Å; I634-F639 HydrophobicContact CG1-CE2 4.12Å
635	A	90.2	Very high	96.1	Very high	79 Å²	79	56.7 Å²	56.7	65%	0.653	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	43.3	-177.5	0	0	0	0	0	113.4	V280 P572 K637	V280-A635 HydrophobicContact CG1-CB 3.79Å; P572-A635 HydrophobicContact CB-CB 3.78Å; P572-A635 HydrophobicContact CG-CB 4.24Å; A635-K637 VanDerWaalsContact C-N 3.33Å; A635-K637 PolarHBondContact O-N 2.8Å
636	G	92.5	Very high	95.8	Very high	63 Å²	63	60 Å²	60	65%	0.649	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-4.6	179.1	0	0	0	0	0	115.9	I634	I634-G636 PolarHBondContact O-N 2.71Å; I634-G636 VanDerWaalsContact O-N 3.15Å
637	K	95.4	Very high	95.3	Very high	93 Å²	93	53.1 Å²	53.1	40%	0.404	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.2	173.8	-176.3	171.5	171.1	-176.4	0	110.8	D571 P572 E633 I634 A635 F639	D571-K637 VanDerWaalsContact CG-NZ 3.35Å; D571-K637 IonicContact OD1-NZ 3.4Å; D571-K637 PolarHBondContact OD1-NZ 2.81Å; D571-K637 IonicContact OD2-NZ 3.38Å; D571-K637 PolarHBondContact OD2-NZ 3.45Å; P572-K637 HydrophobicContact CG-CB 4.38Å; E633-K637 CarbonylContact C-O 3.53Å; E633-K637 WeakPolarHBondContact CA-O 3.49Å; I634-K637 PolarHBondContact N-O 3.31Å; I634-K637 PolarHBondContact O-N 3.12Å; A635-K637 VanDerWaalsContact C-N 3.33Å; A635-K637 PolarHBondContact O-N 2.8Å; K637-F639 HydrophobicContact CB-CE2 3.91Å; K637-F639 HydrophobicContact CB-CZ 4.24Å; K637-F639 HydrophobicContact CD-CE1 4.1Å; K637-F639 HydrophobicContact CD-CE2 4.06Å; K637-F639 HydrophobicContact CD-CZ 3.5Å; K637-F639 HydrophobicContact CG-CD2 4.47Å; K637-F639 HydrophobicContact CG-CE1 4.42Å; K637-F639 HydrophobicContact CG-CE2 3.74Å; K637-F639 HydrophobicContact CG-CZ 3.72Å; K637-F639 WeakPolarHBondContact O-CD2 3.16Å
638	R	97.1	Very high	94.8	Very high	95 Å²	95	48.3 Å²	48.3	36%	0.358	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.2	177.3	-67	-170.6	178.9	-172.4	4.3	111.9	E631 E633	E631-R638 IonicContact OE2-NH1 3.62Å; E633-R638 HydrophobicContact CB-CG 4.15Å; E633-R638 HydrophobicContact CG-CG 4.13Å; E633-R638 IonicContact OE2-CZ 3.19Å; E633-R638 IonicContact OE2-NE 3.29Å; E633-R638 PolarHBondContact OE2-NE 3.23Å; E633-R638 IonicContact OE2-NH2 3.74Å
639	F	98.4	Very high	94.1	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.035	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.5	176.7	-62.6	-90.2	0	0	0	109.6	L563 H566 D571 P572 E631 V632 I634 K637	L563-F639 HydrophobicContact CD2-CB 4.35Å; L563-F639 HydrophobicContact CD2-CG 4.33Å; L563-F639 HydrophobicContact CG-CB 4.26Å; H566-F639 HydrophobicContact CB-CD1 4.23Å; H566-F639 HydrophobicContact CB-CE1 4.3Å; H566-F639 AromaticContact CD2-CE1 3.65Å; H566-F639 AromaticContact CD2-CZ 3.78Å; D571-F639 HydrophobicContact CB-CE1 4.1Å; D571-F639 HydrophobicContact CB-CZ 3.84Å; D571-F639 WeakPolarHBondContact OD2-CE1 3.36Å; P572-F639 HydrophobicContact CG-CE2 4.1Å; P572-F639 HydrophobicContact CG-CZ 4.2Å; E631-F639 CarbonylContact C-O 3.44Å; E631-F639 WeakPolarHBondContact CA-O 3.28Å; V632-F639 PolarHBondContact N-O 2.86Å; V632-F639 PolarHBondContact O-N 2.71Å; I634-F639 HydrophobicContact CB-CD2 4.31Å; I634-F639 HydrophobicContact CB-CE2 4.03Å; I634-F639 HydrophobicContact CD1-CD2 3.75Å; I634-F639 HydrophobicContact CD1-CE2 3.98Å; I634-F639 HydrophobicContact CG1-CD2 3.92Å; I634-F639 HydrophobicContact CG1-CE2 4.12Å; K637-F639 HydrophobicContact CB-CE2 3.91Å; K637-F639 HydrophobicContact CB-CZ 4.24Å; K637-F639 HydrophobicContact CD-CE1 4.1Å; K637-F639 HydrophobicContact CD-CE2 4.06Å; K637-F639 HydrophobicContact CD-CZ 3.5Å; K637-F639 HydrophobicContact CG-CD2 4.47Å; K637-F639 HydrophobicContact CG-CE1 4.42Å; K637-F639 HydrophobicContact CG-CE2 3.74Å; K637-F639 HydrophobicContact CG-CZ 3.72Å; K637-F639 WeakPolarHBondContact O-CD2 3.16Å
640	G	98.3	Very high	93.5	Very high	30 Å²	30	53.4 Å²	53.4	31%	0.309	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	149.4	168.9	0	0	0	0	0	110.5	K564	K564-G640 WeakPolarHBondContact CB-O 3.17Å; K564-G640 PolarHBondContact N-O 2.89Å
641	V	98	Very high	92.5	Very high	11 Å²	11	56.9 Å²	56.9	7%	0.067	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	158.4	-178	-56.3	0	0	0	0	113.2	L561 L562 L563 K564 Y630 V632	L561-V641 HydrophobicContact CB-CB 4.31Å; L561-V641 HydrophobicContact CB-CG1 4.29Å; L561-V641 HydrophobicContact CB-CG2 4.38Å; L561-V641 HydrophobicContact CD2-CG2 3.87Å; L562-V641 CarbonylContact O-C 3.22Å; L562-V641 WeakPolarHBondContact O-CA 3.32Å; L562-V641 WeakPolarHBondContact O-CB 3.26Å; L563-V641 HydrophobicContact CD1-CG1 4.44Å; K564-V641 WeakPolarHBondContact CE-O 3.2Å; K564-V641 PolarHBondContact NZ-O 3.38Å; K564-V641 VanDerWaalsContact NZ-O 3.08Å; Y630-V641 PolarHBondContact O-N 3.05Å; V632-V641 HydrophobicContact CB-CG1 4.31Å; V632-V641 HydrophobicContact CG2-CG1 3.8Å
642	Q	96	Very high	91.2	Very high	97 Å²	97	60 Å²	60	45%	0.453	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.5	154.4	173.2	-176.3	-35.7	0	0	108.3	L562 N644	L562-Q642 HydrophobicContact CB-CB 4.22Å; L562-Q642 PolarHBondContact N-O 3.11Å; L562-Q642 PolarHBondContact O-N 3.08Å; Q642-N644 PolarHBondContact NE2-OD1 3.06Å; Q642-N644 VanDerWaalsContact NE2-OD1 3.13Å
643	L	96.6	Very high	89.8	Confident	36 Å²	36	61.5 Å²	61.5	19%	0.188	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.6	179.5	-172.9	156.2	0	0	0	110.6	V559 Q560 L561 V623 Y630 L645	V559-L643 HydrophobicContact CB-CD1 4.33Å; V559-L643 HydrophobicContact CB-CD2 4.29Å; V559-L643 HydrophobicContact CB-CG 4.12Å; V559-L643 HydrophobicContact CG1-CD1 4.13Å; V559-L643 HydrophobicContact CG1-CD2 3.92Å; V559-L643 HydrophobicContact CG1-CG 4.16Å; V559-L643 HydrophobicContact CG2-CD1 4.49Å; Q560-L643 CarbonylContact O-C 3.45Å; Q560-L643 WeakPolarHBondContact O-CA 3.49Å; L561-L643 HydrophobicContact CD2-CB 4.12Å; L561-L643 HydrophobicContact CD2-CD1 3.84Å; L561-L643 HydrophobicContact CD2-CG 3.86Å; V623-L643 HydrophobicContact CG1-CD1 3.83Å; V623-L643 HydrophobicContact CG1-CD2 3.47Å; V623-L643 VanDerWaalsContact CG1-CD2 3.47Å; V623-L643 HydrophobicContact CG1-CG 4.34Å; Y630-L643 HydrophobicContact CD1-CD1 3.92Å; Y630-L643 HydrophobicContact CD2-CD1 3.84Å; Y630-L643 HydrophobicContact CE1-CD1 3.88Å; Y630-L643 HydrophobicContact CE2-CD1 3.82Å; Y630-L643 HydrophobicContact CG-CD1 3.88Å; L643-L645 HydrophobicContact CD2-CG 4.41Å
644	N	95.1	Very high	88.3	Confident	27 Å²	27	61.6 Å²	61.6	14%	0.144	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.1	172	-57.5	-30.9	0	0	0	110.6	Q560 L562 Q642	Q560-N644 HydrophobicContact CB-CB 4.24Å; Q560-N644 PolarHBondContact N-O 3.44Å; Q560-N644 PolarHBondContact O-N 2.98Å; Q560-N644 PolarHBondContact OE1-ND2 3.3Å; L562-N644 WeakPolarHBondContact CD1-ND2 3.31Å; Q642-N644 PolarHBondContact NE2-OD1 3.06Å; Q642-N644 VanDerWaalsContact NE2-OD1 3.13Å
645	L	93.2	Very high	86.7	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.021	34%	0.344	C	S	.	.	S	Bend	trans	-89.4	-13.7	171.7	-80.2	178.3	0	0	0	113.6	F513 V559 D620 V623 Q624 L643	F513-L645 WeakPolarHBondContact CE1-O 3.42Å; V559-L645 HydrophobicContact CG1-CD2 3.96Å; D620-L645 HydrophobicContact CB-CD1 3.74Å; V623-L645 HydrophobicContact CB-CD2 4.37Å; V623-L645 HydrophobicContact CG1-CD2 3.95Å; V623-L645 HydrophobicContact CG1-CG 4.34Å; Q624-L645 HydrophobicContact CG-CD1 3.58Å; Q624-L645 HydrophobicContact CG-CG 4.27Å; L643-L645 HydrophobicContact CD2-CG 4.41Å
646	Y	89.6	Confident	85.6	Confident	132 Å²	132	62.5 Å²	62.5	52%	0.518	33%	0.334	S	S	.	.	S	Bend	trans	-138.4	163.3	-176.9	-51.5	-70.6	0	0	0	109.7	D620	D620-Y646 PolarHBondContact OD2-OH 2.9Å; D620-Y646 VanDerWaalsContact OD2-OH 3.07Å
647	S	83.7	Confident	83.8	Confident	62 Å²	62	66 Å²	66	43%	0.434	33%	0.333	S	S	.	.			trans	-60.9	134.6	-179	-168.7	0	0	0	0	110	K512	K512-S647 WeakPolarHBondContact O-CB 3.29Å; K512-S647 PolarHBondContact O-OG 2.67Å
648	P	84.7	Confident	81.6	Confident	27 Å²	27	63.6 Å²	63.6	18%	0.175	33%	0.326	C	S	.	.			trans	-65.9	151.7	175.1	27.1	-31.2	0	0	0	110	Q560 L599 L650	Q560-P648 VanDerWaalsContact OE1-CD 3.31Å; L599-P648 HydrophobicContact CD1-CG 4.25Å; P648-L650 HydrophobicContact CG-CD2 4.24Å; P648-L650 HydrophobicContact CG-CG 4.34Å; P648-L650 PolarHBondContact O-N 3.25Å; P648-L650 VanDerWaalsContact O-N 3.08Å
649	K	82.7	Confident	79.2	Confident	214 Å²	214	68.2 Å²	68.2	93%	0.93	35%	0.352	S	S	*	.			trans	-73	102.7	170.3	-72.7	-173.7	179.9	-178.9	0	108.6
650	L	84.3	Confident	76.5	Confident	27 Å²	27	76.1 Å²	76.1	14%	0.141	39%	0.389	C	S	.	.			trans	-92.2	139.5	173.7	-59.4	169.8	0	0	0	109.4	E511 K512 T598 L599 P648	E511-L650 HydrophobicContact CB-CD1 4.42Å; E511-L650 HydrophobicContact CG-CD1 3.8Å; E511-L650 HydrophobicContact CG-CD2 4.01Å; K512-L650 HydrophobicContact CG-CD1 3.67Å; T598-L650 HydrophobicContact CG2-CD2 4.36Å; L599-L650 HydrophobicContact CD1-CD2 4.47Å; L599-L650 HydrophobicContact CD2-CD2 3.75Å; L599-L650 HydrophobicContact CG-CD2 3.97Å; P648-L650 HydrophobicContact CG-CD2 4.24Å; P648-L650 HydrophobicContact CG-CG 4.34Å; P648-L650 PolarHBondContact O-N 3.25Å; P648-L650 VanDerWaalsContact O-N 3.08Å
651	P	77.8	Confident	73.7	Confident	87 Å²	87	77.1 Å²	77.1	57%	0.565	38%	0.383	S	S	*	.			trans	-58	144	170.6	24.7	-32.1	0	0	0	109.5	R297 T598	R297-P651 PolarHBondContact NH2-O 3.42Å; T598-P651 HydrophobicContact CG2-CG 3.89Å
652	M	70.1	Confident	70.8	Confident	115 Å²	115	87 Å²	87	57%	0.567	42%	0.42	S	S	*	.			trans	-133.1	130.1	170.8	-79.1	-166.8	-58.9	0	0	109.1	S654	M652-S654 PolarHBondContact O-N 3.4Å
653	V	69.4	Low	67.8	Low	32 Å²	32	86.3 Å²	86.3	19%	0.194	42%	0.424	C	S	.	.			trans	-71.7	123.9	170.2	-177.4	0	0	0	0	107.7	P424 L470	P424-V653 HydrophobicContact CB-CB 3.85Å; P424-V653 HydrophobicContact CB-CG1 3.73Å; P424-V653 HydrophobicContact CG-CB 4.02Å; P424-V653 HydrophobicContact CG-CG1 4.08Å; L470-V653 WeakPolarHBondContact CD1-O 3.36Å
654	S	65.5	Low	64.5	Low	49 Å²	49	90.5 Å²	90.5	34%	0.343	45%	0.451	S	S	.	.			trans	-70.9	136.5	178.5	176.8	0	0	0	0	110.5	M652 E656 H657	M652-S654 PolarHBondContact O-N 3.4Å; S654-E656 VanDerWaalsContact C-N 3.29Å; S654-E656 PolarHBondContact OG-N 3.47Å; S654-E656 VanDerWaalsContact OG-N 3.12Å; S654-H657 PolarHBondContact OG-N 3.29Å
655	S	62.6	Low	61.3	Low	10 Å²	10	101.7 Å²	101.7	7%	0.07	50%	0.502	C	S	.	.	S	Bend	trans	-76.8	-12.5	172.1	45.3	0	0	0	0	113.7	P424 R427	P424-S655 WeakPolarHBondContact O-CA 3.29Å; P424-S655 WeakPolarHBondContact O-CB 3.37Å; R427-S655 PolarHBondContact NH1-OG 2.82Å
656	E	65.9	Low	59.7	Low	94 Å²	94	106.6 Å²	106.6	44%	0.439	53%	0.526	S	S	.	.	S	Bend	trans	-99.5	-18.3	177.5	-62.2	-172.1	163.2	0	0	112.8	S440 S654 P658	S440-E656 WeakPolarHBondContact CB-OE1 3.38Å; S440-E656 PolarHBondContact N-OE1 2.87Å; S440-E656 PolarHBondContact OG-OE1 3.25Å; S654-E656 VanDerWaalsContact C-N 3.29Å; S654-E656 PolarHBondContact OG-N 3.47Å; S654-E656 VanDerWaalsContact OG-N 3.12Å; E656-P658 VanDerWaalsContact C-CD 3.44Å
657	H	55.3	Low	58.1	Low	137 Å²	137	105.2 Å²	105.2	63%	0.634	53%	0.526	S	S	*	.			trans	-129	66.8	178.9	-59.8	-39.4	0	0	0	111.2	S654 Q659	S654-H657 PolarHBondContact OG-N 3.29Å; H657-Q659 PolarHBondContact O-N 3.29Å; H657-Q659 VanDerWaalsContact O-N 3.09Å
658	P	50.4	Low	56.7	Low	41 Å²	41	107.6 Å²	107.6	27%	0.266	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-77	13.4	-175.1	33.5	-37.2	0	0	0	113.5	L428 E656 H660 Y661	L428-P658 HydrophobicContact CD1-CG 4.39Å; E656-P658 VanDerWaalsContact C-CD 3.44Å; P658-H660 PolarHBondContact O-N 3.05Å; P658-Y661 WeakPolarHBondContact O-CA 3.47Å; P658-Y661 VanDerWaalsContact O-CB 3.26Å; P658-Y661 WeakPolarHBondContact O-CB 3.42Å; P658-Y661 PolarHBondContact O-N 2.78Å
659	Q	45	Very low	55.1	Low	192 Å²	192	112.4 Å²	112.4	90%	0.897	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-62.1	-7.3	-179.3	-67.4	-164.1	-2.1	0	0	114.2	H657	H657-Q659 PolarHBondContact O-N 3.29Å; H657-Q659 VanDerWaalsContact O-N 3.09Å
660	H	42.8	Very low	53.3	Low	175 Å²	175	106 Å²	106	81%	0.81	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-82.9	-17	167	-69.7	-59.5	0	0	0	114.3	P658 R662	P658-H660 PolarHBondContact O-N 3.05Å; H660-R662 PolarHBondContact O-N 2.91Å
661	Y	38.9	Very low	51.3	Low	50 Å²	50	111.3 Å²	111.3	20%	0.196	56%	0.555	C	S	.	*			trans	-80.6	110.9	173.4	177.9	-104.7	0	0	0	109.4	R299 T425 Y495 P658 P663	R299-Y661 HydrophobicContact CB-CE2 4.44Å; R299-Y661 HydrophobicContact CG-CE2 3.86Å; T425-Y661 HydrophobicContact CG2-CD1 4.4Å; T425-Y661 HydrophobicContact CG2-CD2 4.37Å; T425-Y661 HydrophobicContact CG2-CE1 4.4Å; T425-Y661 HydrophobicContact CG2-CE2 4.39Å; T425-Y661 HydrophobicContact CG2-CG 4.37Å; Y495-Y661 PolarHBondContact O-OH 2.9Å; P658-Y661 WeakPolarHBondContact O-CA 3.47Å; P658-Y661 VanDerWaalsContact O-CB 3.26Å; P658-Y661 WeakPolarHBondContact O-CB 3.42Å; P658-Y661 PolarHBondContact O-N 2.78Å; Y661-P663 HydrophobicContact CE1-CB 3.92Å; Y661-P663 HydrophobicContact CE1-CG 4.25Å
662	R	36.7	Very low	49.4	Very low	220 Å²	220	113 Å²	113	83%	0.83	55%	0.554	S	S	*	*			trans	-100	111.5	164	-72.7	-172.2	179.1	-171.6	0.2	107.4	H660 T664	H660-R662 PolarHBondContact O-N 2.91Å; R662-T664 PolarHBondContact O-N 2.71Å
663	P	33	Very low	47.8	Very low	82 Å²	82	112.8 Å²	112.8	53%	0.532	55%	0.553	S	S	.	*			trans	-59	114	169.3	22.5	-28.7	0	0	0	107.4	Y661 Q665	Y661-P663 HydrophobicContact CE1-CB 3.92Å; Y661-P663 HydrophobicContact CE1-CG 4.25Å; P663-Q665 PolarHBondContact O-N 3.3Å; P663-Q665 VanDerWaalsContact O-N 3.17Å
664	T	28.4	Very low	46	Very low	123 Å²	123	119.6 Å²	119.6	76%	0.755	58%	0.583	S	S	*	*			trans	-71.3	105.5	167.7	41.7	0	0	0	0	106.4	R662	R662-T664 PolarHBondContact O-N 2.71Å
665	Q	27.2	Very low	44.2	Very low	262 Å²	262	126 Å²	126	100%	1.224	61%	0.605	S	S	*	*			trans	-62	0	166.7	-76.3	-171.4	-18.2	0	0	110.9	P663	P663-Q665 PolarHBondContact O-N 3.3Å; P663-Q665 VanDerWaalsContact O-N 3.17Å

Retrieved 665 of 665 residues in 1120.1 ms (Link to these results)

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