A0A3Q0KLV0_SCHMA Loading...

Harp (Smarcal1)-related

AlphaFold DB , UniProt , Accession A0A3Q0KLV0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 910 aa.

						>A0A3Q0KLV0_SCHMA|A0A3Q0KLV0
MSSDALTEEERSLIEAKRRKALESRNRNTAGGLVSSVPIVQKQNVVAKQPLCYEGGYDSMHTEKVGDFVHMARKWVESGKPTTVKPTGNLVKQQISQLKQNFIPKSSTNSFPSRTPQSTPNDAFRPKTSLANVLCTLCSANRFEVHARYHVGLTQLFKSMDSKQYDSQTRRWSFDLSEYNEFVKKVKNIDELHLEELPYAVIKIFRKRISMKPGADDLKDHDNNDEIDHSTLKDRIPDDLLATLFPFQKDGVCLALKRSGRVLLADDMGLGKTIQSLAIASAYYSEWPLLIITPSSVRFSWRDQIIRWLGKPLNLNLTHITVVNSGKDIMDDWDSFNSSPITIISYDLMSRYGKELLKRRYGVVIADESHFIKNIKAARTKAATPILKWAKRVILLSGTPAMSRPAELFPQISAISPNLFQGGFHEFGLRYCSAKECPWGWDYSGCSNMTELQLVLEKSIMIRRVKADVLSQLPPKRRELVVLDPSVIKKGNLGRHAKTMLTDKLSSKEKRSALFEYFHETGSVKLPAIEQYVLDLIECGHKFLLFAHHTDVLDSLDKLLSEKSIRFIRIDGRTNSEQRSVVCQIFQKEDDCRVALLSITAAGTGLHLTAANLVIFAELFWNPGALVQAEDRAYRIGQMDSVLIRYLIAEQTADDFIWPLVERKLDVLSKAGLNRETFRMADSTTRLGVCSLFSRSILLPFIVYCTGDIILFSNTLEQQKILDYFKKELNDFEEWENVDSVTSIINEQSNNTQSRNNKKNDNNNDHQNKFQTQNDSLMNQINPNQPKMTTSLFKSKSQSSVVNNTTPNKNNSKKRLLVPSSPESNHSEIFSNELNDNIDEDDLIWVDDVDDDDFVEQIDESDITDNNIEEFSGNDEYLLSEAVKIAEAVEVDWLTEGLIKEDTDDIEINL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	60.8	Low	232 Å²	232	131 Å²	131	100%	1.143	70%	0.7	S	S	*	*				0	130.3	0	-67.5	-176.9	82.7	0	0	106.8	S3	M1-S3 PolarHBondContact O-N 3.1Å
2	S	37	Very low	62.4	Low	122 Å²	122	126.8 Å²	126.8	85%	0.853	69%	0.688	S	S	*	*			trans	-69.5	111.7	178.1	163.9	0	0	0	0	108.4
3	S	37.5	Very low	64.1	Low	98 Å²	98	125.1 Å²	125.1	69%	0.685	68%	0.677	S	S	*	*			trans	-144.6	58	178.9	64.7	0	0	0	0	110.8	M1	M1-S3 PolarHBondContact O-N 3.1Å
4	D	50.2	Low	65.2	Low	167 Å²	167	121.9 Å²	121.9	89%	0.893	66%	0.658	S	S	*	*			trans	-140.2	19	166.1	-79.2	-40.4	0	0	0	111.7
5	A	56.5	Low	66.2	Low	73 Å²	73	121.1 Å²	121.1	60%	0.603	65%	0.649	S	S	*	*	S	Bend	trans	-90.9	108.3	167.2	0	0	0	0	0	107.7	T7	A5-T7 PolarHBondContact O-N 2.88Å; A5-T7 VanDerWaalsContact O-N 3.12Å
6	L	63.8	Low	67.5	Low	88 Å²	88	116.8 Å²	116.8	46%	0.461	64%	0.635	S	S	.	*			trans	-44.5	122.1	170.8	-73.6	162.7	0	0	0	109.2	E10 R11 I14	L6-E10 VanDerWaalsContact CA-OE2 3.31Å; L6-E10 WeakPolarHBondContact CA-OE2 3.29Å; L6-E10 HydrophobicContact CB-CB 4.3Å; L6-E10 HydrophobicContact CD2-CB 3.89Å; L6-E10 HydrophobicContact CD2-CG 4.41Å; L6-R11 HydrophobicContact CB-CG 4.08Å; L6-R11 PolarHBondContact O-NE 3Å; L6-I14 HydrophobicContact CD1-CD1 4.17Å
7	T	78.5	Confident	68.6	Low	75 Å²	75	118.6 Å²	118.6	46%	0.46	64%	0.636	S	S	.	*			trans	-58.8	155.7	176.8	59	0	0	0	0	109.9	A5 E9 E10 R11	A5-T7 PolarHBondContact O-N 2.88Å; A5-T7 VanDerWaalsContact O-N 3.12Å; T7-E9 PolarHBondContact O-N 2.85Å; T7-E10 PolarHBondContact N-OE2 2.85Å; T7-E10 PolarHBondContact O-N 2.83Å; T7-E10 VanDerWaalsContact OG1-CG 3.27Å; T7-E10 WeakPolarHBondContact OG1-CG 3Å; T7-E10 PolarHBondContact OG1-N 2.64Å; T7-E10 PolarHBondContact OG1-OE2 3.35Å; T7-R11 PolarHBondContact O-N 3.41Å
8	E	73.3	Confident	69	Low	173 Å²	173	120.9 Å²	120.9	81%	0.808	63%	0.634	S	S	*	*	H	α-helix	trans	-62.2	-27.8	-178.8	-160.2	146.9	-160.5	0	0	111.9	S12	E8-S12 VanDerWaalsContact O-CB 3.27Å; E8-S12 WeakPolarHBondContact O-CB 3.4Å; E8-S12 PolarHBondContact O-N 3.11Å
9	E	76.9	Confident	69.5	Low	166 Å²	166	124.1 Å²	124.1	78%	0.776	64%	0.636	S	S	*	*	H	α-helix	trans	-64.7	-45.6	168.8	-94.3	-175.6	150.3	0	0	112.9	T7 R11 S12 L13	T7-E9 PolarHBondContact O-N 2.85Å; E9-R11 PolarHBondContact O-N 3.49Å; E9-S12 PolarHBondContact O-N 3.22Å; E9-L13 WeakPolarHBondContact O-CB 3.44Å; E9-L13 PolarHBondContact O-N 3.4Å
10	E	82.4	Confident	70.1	Confident	89 Å²	89	125.7 Å²	125.7	42%	0.416	64%	0.639	S	S	.	*	H	α-helix	trans	-64.2	-41.4	177.5	-72.7	166.7	140.7	0	0	111.7	L6 T7 S12 L13 I14	L6-E10 VanDerWaalsContact CA-OE2 3.31Å; L6-E10 WeakPolarHBondContact CA-OE2 3.29Å; L6-E10 HydrophobicContact CB-CB 4.3Å; L6-E10 HydrophobicContact CD2-CB 3.89Å; L6-E10 HydrophobicContact CD2-CG 4.41Å; T7-E10 PolarHBondContact N-OE2 2.85Å; T7-E10 PolarHBondContact O-N 2.83Å; T7-E10 VanDerWaalsContact OG1-CG 3.27Å; T7-E10 WeakPolarHBondContact OG1-CG 3Å; T7-E10 PolarHBondContact OG1-N 2.64Å; T7-E10 PolarHBondContact OG1-OE2 3.35Å; E10-S12 PolarHBondContact O-N 3.24Å; E10-L13 PolarHBondContact O-N 3.09Å; E10-I14 VanDerWaalsContact O-CG1 3.27Å; E10-I14 WeakPolarHBondContact O-CG1 3.4Å; E10-I14 PolarHBondContact O-N 2.99Å
11	R	80.4	Confident	70.2	Confident	158 Å²	158	122.7 Å²	122.7	60%	0.596	63%	0.633	S	S	*	*	H	α-helix	trans	-61.3	-44.3	174.1	-68.6	-178	-177.4	-168.7	-3.7	111.5	L6 T7 E9 L13 I14 E15	L6-R11 HydrophobicContact CB-CG 4.08Å; L6-R11 PolarHBondContact O-NE 3Å; T7-R11 PolarHBondContact O-N 3.41Å; E9-R11 PolarHBondContact O-N 3.49Å; R11-L13 VanDerWaalsContact C-N 3.34Å; R11-L13 PolarHBondContact O-N 3.31Å; R11-I14 PolarHBondContact O-N 3.46Å; R11-E15 PolarHBondContact O-N 3.48Å
12	S	79.8	Confident	72.1	Confident	80 Å²	80	117 Å²	117	56%	0.559	61%	0.607	S	S	*	*	H	α-helix	trans	-62.7	-39.6	176.6	-173.8	0	0	0	0	112	E8 E9 E10 E15 A16	E8-S12 VanDerWaalsContact O-CB 3.27Å; E8-S12 WeakPolarHBondContact O-CB 3.4Å; E8-S12 PolarHBondContact O-N 3.11Å; E9-S12 PolarHBondContact O-N 3.22Å; E10-S12 PolarHBondContact O-N 3.24Å; S12-E15 PolarHBondContact O-N 3.29Å; S12-A16 WeakPolarHBondContact O-CB 3.33Å; S12-A16 PolarHBondContact O-N 3.33Å
13	L	85.1	Confident	73.9	Confident	105 Å²	105	115.5 Å²	115.5	55%	0.55	59%	0.586	S	S	.	*	H	α-helix	trans	-67.1	-41.2	177.5	-165.4	76.6	0	0	0	112.2	E9 E10 R11 E15 A16 K17	E9-L13 WeakPolarHBondContact O-CB 3.44Å; E9-L13 PolarHBondContact O-N 3.4Å; E10-L13 PolarHBondContact O-N 3.09Å; R11-L13 VanDerWaalsContact C-N 3.34Å; R11-L13 PolarHBondContact O-N 3.31Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-A16 PolarHBondContact O-N 3.06Å; L13-K17 WeakPolarHBondContact O-CG 3.26Å; L13-K17 PolarHBondContact O-N 2.99Å
14	I	79.5	Confident	75.5	Confident	80 Å²	80	113.6 Å²	113.6	41%	0.41	57%	0.573	S	S	.	*	H	α-helix	trans	-61.3	-45.2	174.9	-69.7	165.1	0	0	0	110.1	L6 E10 R11 K17 R18	L6-I14 HydrophobicContact CD1-CD1 4.17Å; E10-I14 VanDerWaalsContact O-CG1 3.27Å; E10-I14 WeakPolarHBondContact O-CG1 3.4Å; E10-I14 PolarHBondContact O-N 2.99Å; R11-I14 PolarHBondContact O-N 3.46Å; I14-K17 PolarHBondContact O-N 3.04Å; I14-R18 PolarHBondContact O-N 3.37Å
15	E	79.7	Confident	75.8	Confident	110 Å²	110	114.7 Å²	114.7	51%	0.514	56%	0.564	S	S	.	*	H	α-helix	trans	-67.3	-38.7	179.8	-160.3	61.3	-155.9	0	0	111.7	R11 S12 L13 R18 R19	R11-E15 PolarHBondContact O-N 3.48Å; S12-E15 PolarHBondContact O-N 3.29Å; L13-E15 VanDerWaalsContact C-N 3.34Å; E15-R18 WeakPolarHBondContact O-CB 3.45Å; E15-R18 PolarHBondContact O-N 3.3Å; E15-R19 WeakPolarHBondContact O-CB 3.42Å; E15-R19 PolarHBondContact O-N 2.59Å
16	A	86.9	Confident	76.1	Confident	53 Å²	53	116 Å²	116	44%	0.438	56%	0.562	S	S	.	*	H	α-helix	trans	-63.6	-40.7	173.9	0	0	0	0	0	112.5	S12 L13 R19 K20	S12-A16 WeakPolarHBondContact O-CB 3.33Å; S12-A16 PolarHBondContact O-N 3.33Å; L13-A16 PolarHBondContact O-N 3.06Å; A16-R19 PolarHBondContact O-N 3.48Å; A16-K20 PolarHBondContact O-N 2.83Å
17	K	86	Confident	75.8	Confident	147 Å²	147	120.1 Å²	120.1	64%	0.639	57%	0.571	S	S	*	*	H	α-helix	trans	-64	-42.9	174	-77.7	-177.9	179.4	179.5	0	111.6	L13 I14 R19 K20 A21	L13-K17 WeakPolarHBondContact O-CG 3.26Å; L13-K17 PolarHBondContact O-N 2.99Å; I14-K17 PolarHBondContact O-N 3.04Å; K17-R19 VanDerWaalsContact C-N 3.33Å; K17-R19 PolarHBondContact O-N 3.28Å; K17-K20 PolarHBondContact O-N 3.13Å; K17-A21 PolarHBondContact O-N 2.94Å
18	R	76.7	Confident	74.3	Confident	161 Å²	161	122.7 Å²	122.7	61%	0.608	58%	0.582	S	S	*	*	H	α-helix	trans	-57.3	-45.6	173.6	-97	-177.5	167.8	175.1	-2.3	111.9	I14 E15 A21 L22	I14-R18 PolarHBondContact O-N 3.37Å; E15-R18 WeakPolarHBondContact O-CB 3.45Å; E15-R18 PolarHBondContact O-N 3.3Å; R18-A21 PolarHBondContact O-N 3.32Å; R18-L22 PolarHBondContact O-N 2.9Å
19	R	78.4	Confident	72.9	Confident	180 Å²	180	119.7 Å²	119.7	68%	0.679	58%	0.575	S	S	*	*	H	α-helix	trans	-65.8	-42.4	-178.8	-153.4	171.2	171.3	161.5	-0.7	112.1	E15 A16 K17 A21 L22 E23	E15-R19 WeakPolarHBondContact O-CB 3.42Å; E15-R19 PolarHBondContact O-N 2.59Å; A16-R19 PolarHBondContact O-N 3.48Å; K17-R19 VanDerWaalsContact C-N 3.33Å; K17-R19 PolarHBondContact O-N 3.28Å; R19-A21 PolarHBondContact O-N 2.93Å; R19-L22 PolarHBondContact O-N 3.29Å; R19-E23 WeakPolarHBondContact O-CG 3.47Å; R19-E23 PolarHBondContact O-N 3.36Å
20	K	81.1	Confident	71.3	Confident	157 Å²	157	115.9 Å²	115.9	68%	0.683	57%	0.572	S	S	*	*	H	α-helix	trans	-61.1	-41.8	172	-92.3	-174.4	175.5	179.6	0	112.9	A16 K17 L22 E23 S24	A16-K20 PolarHBondContact O-N 2.83Å; K17-K20 PolarHBondContact O-N 3.13Å; K20-L22 VanDerWaalsContact C-N 3.34Å; K20-E23 PolarHBondContact O-N 3.11Å; K20-S24 WeakPolarHBondContact O-CB 3.44Å; K20-S24 PolarHBondContact O-N 3.49Å
21	A	72.5	Confident	68.8	Low	63 Å²	63	114.8 Å²	114.8	52%	0.521	59%	0.585	S	S	.	*	H	α-helix	trans	-64.1	-40.1	177.3	0	0	0	0	0	111.6	K17 R18 R19 S24 R25	K17-A21 PolarHBondContact O-N 2.94Å; R18-A21 PolarHBondContact O-N 3.32Å; R19-A21 PolarHBondContact O-N 2.93Å; A21-S24 PolarHBondContact O-N 2.96Å; A21-R25 WeakPolarHBondContact O-CB 3.43Å; A21-R25 PolarHBondContact O-N 3.25Å
22	L	70.8	Confident	66.6	Low	112 Å²	112	110.2 Å²	110.2	59%	0.586	59%	0.587	S	S	*	*	H	α-helix	trans	-64.9	-42.5	175.7	-151.7	88.3	0	0	0	111.8	R18 R19 K20 R25 N26	R18-L22 PolarHBondContact O-N 2.9Å; R19-L22 PolarHBondContact O-N 3.29Å; K20-L22 VanDerWaalsContact C-N 3.34Å; L22-R25 PolarHBondContact O-N 3.47Å; L22-N26 PolarHBondContact O-N 2.87Å
23	E	75.2	Confident	64.2	Low	91 Å²	91	115.1 Å²	115.1	43%	0.425	61%	0.606	S	S	.	*	H	α-helix	trans	-66.1	-38.2	176.1	-74.9	174.7	-170.2	0	0	112.7	R19 K20 R25 N26 R27	R19-E23 WeakPolarHBondContact O-CG 3.47Å; R19-E23 PolarHBondContact O-N 3.36Å; K20-E23 PolarHBondContact O-N 3.11Å; E23-R25 VanDerWaalsContact C-N 3.32Å; E23-N26 PolarHBondContact O-N 3.07Å; E23-R27 PolarHBondContact O-N 2.89Å
24	S	71.4	Confident	61.6	Low	58 Å²	58	116.4 Å²	116.4	41%	0.406	62%	0.618	S	S	.	*	H	α-helix	trans	-62.9	-41.6	172.9	-174.9	0	0	0	0	111.1	K20 A21 R27 N28	K20-S24 WeakPolarHBondContact O-CB 3.44Å; K20-S24 PolarHBondContact O-N 3.49Å; A21-S24 PolarHBondContact O-N 2.96Å; S24-R27 PolarHBondContact O-N 3.41Å; S24-N28 PolarHBondContact O-N 3.19Å; S24-N28 PolarHBondContact O-OD1 3.35Å
25	R	56.4	Low	59.2	Low	189 Å²	189	117.3 Å²	117.3	71%	0.713	63%	0.631	S	S	*	*	H	α-helix	trans	-65.9	-39.4	178.6	-165.7	173.3	173.7	165.1	-1.2	111.7	A21 L22 E23 N28 T29	A21-R25 WeakPolarHBondContact O-CB 3.43Å; A21-R25 PolarHBondContact O-N 3.25Å; L22-R25 PolarHBondContact O-N 3.47Å; E23-R25 VanDerWaalsContact C-N 3.32Å; R25-N28 PolarHBondContact O-N 3.4Å; R25-T29 PolarHBondContact O-N 3.27Å; R25-T29 PolarHBondContact O-OG1 3.13Å; R25-T29 VanDerWaalsContact O-OG1 3.09Å
26	N	62.9	Low	56.7	Low	102 Å²	102	117.3 Å²	117.3	55%	0.545	64%	0.644	S	S	.	*	H	α-helix	trans	-70.8	-30.5	175.3	-71.7	-15.2	0	0	0	113.1	L22 E23 T29 A30	L22-N26 PolarHBondContact O-N 2.87Å; E23-N26 PolarHBondContact O-N 3.07Å; N26-T29 WeakPolarHBondContact CA-OG1 3.45Å; N26-T29 PolarHBondContact O-OG1 2.97Å; N26-A30 PolarHBondContact O-N 2.56Å
27	R	56.9	Low	53.9	Low	173 Å²	173	121 Å²	121	65%	0.653	66%	0.661	S	S	*	*	H	α-helix	trans	-70	-40.7	172	-85.1	-174	-99.3	175.4	-9.6	112	E23 S24 T29 A30	E23-R27 PolarHBondContact O-N 2.89Å; S24-R27 PolarHBondContact O-N 3.41Å; R27-T29 VanDerWaalsContact C-N 3.3Å; R27-T29 PolarHBondContact O-N 3.04Å; R27-A30 PolarHBondContact O-N 3.24Å; R27-A30 VanDerWaalsContact O-N 3.14Å
28	N	47.2	Very low	51.1	Low	129 Å²	129	119.7 Å²	119.7	69%	0.69	67%	0.667	S	S	*	*	H	α-helix	trans	-69.4	-27.1	179.9	-72.4	0.9	0	0	0	112.8	S24 R25	S24-N28 PolarHBondContact O-N 3.19Å; S24-N28 PolarHBondContact O-OD1 3.35Å; R25-N28 PolarHBondContact O-N 3.4Å
29	T	45.2	Very low	48.7	Very low	110 Å²	110	119.6 Å²	119.6	68%	0.675	68%	0.677	S	S	*	*	H	α-helix	trans	-79.8	-15.9	172.4	42.5	0	0	0	0	113.9	R25 N26 R27	R25-T29 PolarHBondContact O-N 3.27Å; R25-T29 PolarHBondContact O-OG1 3.13Å; R25-T29 VanDerWaalsContact O-OG1 3.09Å; N26-T29 WeakPolarHBondContact CA-OG1 3.45Å; N26-T29 PolarHBondContact O-OG1 2.97Å; R27-T29 VanDerWaalsContact C-N 3.3Å; R27-T29 PolarHBondContact O-N 3.04Å
30	A	42.3	Very low	46.3	Very low	86 Å²	86	117.3 Å²	117.3	71%	0.711	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-8.2	177.8	0	0	0	0	0	114.1	N26 R27	N26-A30 PolarHBondContact O-N 2.56Å; R27-A30 PolarHBondContact O-N 3.24Å; R27-A30 VanDerWaalsContact O-N 3.14Å
31	G	31.2	Very low	43.8	Very low	66 Å²	66	118 Å²	118	68%	0.68	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-4.9	-176.9	0	0	0	0	0	116.3	L33	G31-L33 PolarHBondContact O-N 3.13Å
32	G	33.4	Very low	41.7	Very low	63 Å²	63	124.9 Å²	124.9	65%	0.649	71%	0.707	S	S	*	*			trans	-93.4	88.4	-179.6	0	0	0	0	0	112.3	V34	G32-V34 PolarHBondContact O-N 2.95Å
33	L	29	Very low	39.8	Very low	182 Å²	182	128.1 Å²	128.1	95%	0.953	72%	0.718	S	S	*	*			trans	-62.4	95.6	165.8	-88.9	149.6	0	0	0	109.7	G31	G31-L33 PolarHBondContact O-N 3.13Å
34	V	31.9	Very low	37.5	Very low	132 Å²	132	131.3 Å²	131.3	80%	0.8	74%	0.739	S	S	*	*			trans	-122.7	121.7	159	-176.8	0	0	0	0	108	G32 S36	G32-V34 PolarHBondContact O-N 2.95Å; V34-S36 PolarHBondContact O-N 3.14Å
35	S	29.1	Very low	35.4	Very low	99 Å²	99	135.3 Å²	135.3	69%	0.692	76%	0.76	S	S	*	*			trans	-53.4	122.1	-172.9	51.3	0	0	0	0	114.3
36	S	26.4	Very low	34	Very low	111 Å²	111	132.1 Å²	132.1	78%	0.776	76%	0.761	S	S	*	*			trans	33.7	97.7	140.1	61.3	0	0	0	0	118.7	V34	V34-S36 PolarHBondContact O-N 3.14Å
37	V	28	Very low	32.3	Very low	131 Å²	131	131.6 Å²	131.6	79%	0.794	77%	0.772	S	S	*	*			trans	-125.5	131.2	147.7	-179.7	0	0	0	0	106.8	I39	V37-I39 PolarHBondContact O-N 3.21Å
38	P	27.9	Very low	30.8	Very low	118 Å²	118	132.8 Å²	132.8	77%	0.766	78%	0.781	S	S	*	*			trans	-71.7	130.2	-157.4	21.8	-24.8	0	0	0	112.8	V40	P38-V40 PolarHBondContact O-N 3.04Å
39	I	26.1	Very low	29.7	Very low	160 Å²	160	135.1 Å²	135.1	82%	0.821	79%	0.788	S	S	*	*			trans	-64.7	102	177	-63.1	168.2	0	0	0	108.9	V37 Q41	V37-I39 PolarHBondContact O-N 3.21Å; I39-Q41 PolarHBondContact O-N 3.27Å
40	V	27.7	Very low	28.8	Very low	131 Å²	131	135.6 Å²	135.6	79%	0.794	79%	0.793	S	S	*	*			trans	-71.3	115.9	161.2	176.9	0	0	0	0	107.3	P38 K42	P38-V40 PolarHBondContact O-N 3.04Å; V40-K42 PolarHBondContact O-N 3.07Å; V40-K42 VanDerWaalsContact O-N 3.09Å
41	Q	29	Very low	28	Very low	172 Å²	172	139.4 Å²	139.4	80%	0.804	80%	0.801	S	S	*	*			trans	-54.5	111.2	-179.9	-73	175.1	-20.8	0	0	111	I39 Q43	I39-Q41 PolarHBondContact O-N 3.27Å; Q41-Q43 PolarHBondContact O-N 2.75Å
42	K	28.5	Very low	27.5	Very low	208 Å²	208	142 Å²	142	90%	0.904	81%	0.807	S	S	*	*			trans	-64.9	101.5	169.2	-78.3	-179.4	175.6	177.2	0	109	V40	V40-K42 PolarHBondContact O-N 3.07Å; V40-K42 VanDerWaalsContact O-N 3.09Å
43	Q	29.2	Very low	27	Very low	179 Å²	179	149.6 Å²	149.6	84%	0.836	82%	0.818	S	S	*	*			trans	-67.7	136.5	165.2	-77.5	-178.5	-14.3	0	0	110.1	Q41 V45	Q41-Q43 PolarHBondContact O-N 2.75Å; Q43-V45 PolarHBondContact O-N 3.08Å; Q43-V45 VanDerWaalsContact O-N 3.16Å
44	N	27.5	Very low	26.8	Very low	159 Å²	159	150.3 Å²	150.3	85%	0.85	82%	0.816	S	S	*	*			trans	-44.9	110.4	179.7	-74.2	-32.7	0	0	0	113.1	V46	N44-V46 PolarHBondContact O-N 3.24Å
45	V	26.7	Very low	26.4	Very low	141 Å²	141	146.4 Å²	146.4	86%	0.855	80%	0.803	S	S	*	*			trans	-82.4	94.1	164.6	-179.3	0	0	0	0	107.4	Q43 A47	Q43-V45 PolarHBondContact O-N 3.08Å; Q43-V45 VanDerWaalsContact O-N 3.16Å; V45-A47 PolarHBondContact O-N 2.82Å
46	V	29.1	Very low	26.2	Very low	122 Å²	122	145.2 Å²	145.2	74%	0.739	81%	0.806	S	S	*	*			trans	-65.2	123.8	163.2	175	0	0	0	0	107.4	N44 K48	N44-V46 PolarHBondContact O-N 3.24Å; V46-K48 PolarHBondContact O-N 2.83Å
47	A	25.4	Very low	26.1	Very low	92 Å²	92	151.1 Å²	151.1	76%	0.76	81%	0.813	S	S	*	*			trans	-50.5	108.4	177.5	0	0	0	0	0	110.7	V45 Q49	V45-A47 PolarHBondContact O-N 2.82Å; A47-Q49 PolarHBondContact O-N 2.94Å
48	K	26.6	Very low	26.1	Very low	197 Å²	197	152.8 Å²	152.8	86%	0.857	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-74.2	119.5	168.2	-80	-176.4	176	178.8	0	107.9	V46	V46-K48 PolarHBondContact O-N 2.83Å
49	Q	24.5	Very low	26.3	Very low	178 Å²	178	152.3 Å²	152.3	83%	0.832	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-50.9	143.6	166.2	-76.6	173.5	-27.5	0	0	110.3	A47 L51	A47-Q49 PolarHBondContact O-N 2.94Å; Q49-L51 PolarHBondContact O-N 3.39Å
50	P	25.6	Very low	26.3	Very low	121 Å²	121	152.6 Å²	152.6	79%	0.786	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-63.7	123.6	-173.8	26.5	-33.7	0	0	0	110	C52	P50-C52 PolarHBondContact O-N 3.38Å
51	L	25	Very low	26.3	Very low	165 Å²	165	155.3 Å²	155.3	86%	0.864	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-62.4	118.6	170.7	-84.8	150.1	0	0	0	108.7	Q49 Y53	Q49-L51 PolarHBondContact O-N 3.39Å; L51-Y53 PolarHBondContact O-N 3.36Å; L51-Y53 VanDerWaalsContact O-N 3.09Å
52	C	21.7	Very low	26.3	Very low	122 Å²	122	152.6 Å²	152.6	82%	0.824	82%	0.816	S	S	*	*			trans	-52.9	112.3	165.7	-62.2	0	0	0	0	109	P50 E54	P50-C52 PolarHBondContact O-N 3.38Å; C52-E54 PolarHBondContact O-N 3.38Å
53	Y	23.1	Very low	26.4	Very low	222 Å²	222	151.6 Å²	151.6	87%	0.871	81%	0.814	S	S	*	*			trans	-84	93.6	171.8	-149.4	-95.3	0	0	0	107.7	L51 G55	L51-Y53 PolarHBondContact O-N 3.36Å; L51-Y53 VanDerWaalsContact O-N 3.09Å; Y53-G55 PolarHBondContact O-N 3.46Å
54	E	24.2	Very low	26.7	Very low	196 Å²	196	152 Å²	152	92%	0.916	81%	0.814	S	S	*	*			trans	-80	89	161.2	-74.4	-175	166.7	0	0	107.6	C52	C52-E54 PolarHBondContact O-N 3.38Å
55	G	23.5	Very low	27.1	Very low	51 Å²	51	148.9 Å²	148.9	53%	0.526	80%	0.8	S	S	.	*			trans	-133.2	117.2	175.3	0	0	0	0	0	109	Y53	Y53-G55 PolarHBondContact O-N 3.46Å
56	G	25	Very low	27.7	Very low	73 Å²	73	145 Å²	145	75%	0.753	79%	0.789	S	S	*	*			trans	-63.3	159	-167.9	0	0	0	0	0	115.7	D58	G56-D58 PolarHBondContact O-N 3.28Å
57	Y	24	Very low	28.4	Very low	235 Å²	235	145.1 Å²	145.1	92%	0.922	79%	0.785	S	S	*	*			trans	-43	114.5	171.7	-74.4	-99.3	0	0	0	113.4
58	D	27.9	Very low	28.8	Very low	166 Å²	166	148.2 Å²	148.2	89%	0.888	78%	0.782	S	S	*	*			trans	-108.1	102.3	152.7	-94.3	-30.1	0	0	0	108.4	G56 M60	G56-D58 PolarHBondContact O-N 3.28Å; D58-M60 PolarHBondContact O-N 2.9Å
59	S	32.4	Very low	29.6	Very low	108 Å²	108	142.6 Å²	142.6	76%	0.755	76%	0.764	S	S	*	*			trans	-76.3	103.3	174.9	56.5	0	0	0	0	110	H61	S59-H61 PolarHBondContact O-N 3.45Å
60	M	25.1	Very low	30.5	Very low	166 Å²	166	140.6 Å²	140.6	82%	0.818	75%	0.754	S	S	*	*			trans	-76	98.9	165.4	-69.8	-176.6	97.5	0	0	110	D58	D58-M60 PolarHBondContact O-N 2.9Å
61	H	29.1	Very low	31.2	Very low	189 Å²	189	141.2 Å²	141.2	88%	0.875	75%	0.748	S	S	*	*			trans	-150.7	75.9	153.7	-80.1	-44.3	0	0	0	108.3	S59	S59-H61 PolarHBondContact O-N 3.45Å
62	T	28.2	Very low	31.9	Very low	114 Å²	114	135.6 Å²	135.6	70%	0.699	73%	0.725	S	S	*	*			trans	-100.9	72.9	-179	50.6	0	0	0	0	111.4
63	E	30.8	Very low	32.9	Very low	187 Å²	187	137.6 Å²	137.6	87%	0.874	72%	0.715	S	S	*	*	S	Bend	trans	-142.2	96.9	153.3	-82.8	-166	160.6	0	0	107.9
64	K	35.3	Very low	33.8	Very low	189 Å²	189	134 Å²	134	82%	0.822	70%	0.704	S	S	*	*	S	Bend	trans	144.9	22	168.5	-80.4	172.4	-176.2	-174.2	0	114.2	G66	K64-G66 VanDerWaalsContact C-N 3.3Å; K64-G66 PolarHBondContact O-N 2.88Å
65	V	35.3	Very low	34.2	Very low	92 Å²	92	135 Å²	135	56%	0.558	70%	0.7	S	S	*	*	H	α-helix	trans	-76.9	-12	177	-179.4	0	0	0	0	113.3	D67 V69	V65-D67 PolarHBondContact O-N 2.91Å; V65-V69 HydrophobicContact CG1-CG2 4.15Å
66	G	39.7	Very low	35.1	Very low	61 Å²	61	138.2 Å²	138.2	63%	0.629	71%	0.709	S	S	*	*	H	α-helix	trans	-59.8	-40.9	178	0	0	0	0	0	114.2	K64	K64-G66 VanDerWaalsContact C-N 3.3Å; K64-G66 PolarHBondContact O-N 2.88Å
67	D	44.1	Very low	36	Very low	124 Å²	124	142 Å²	142	66%	0.663	71%	0.707	S	S	*	*	H	α-helix	trans	-77.9	-28.8	-174	-68	-22.5	0	0	0	112.9	V65 M71	V65-D67 PolarHBondContact O-N 2.91Å; D67-M71 PolarHBondContact O-N 3.14Å
68	F	34.4	Very low	36.8	Very low	157 Å²	157	134.8 Å²	134.8	69%	0.689	69%	0.691	S	S	*	*	H	α-helix	trans	-77.1	-33.2	-177	-147.1	-93.3	0	0	0	112.3	H70 M71 A72	F68-H70 VanDerWaalsContact C-N 3.34Å; F68-M71 PolarHBondContact O-N 3.44Å; F68-A72 VanDerWaalsContact O-CB 3.28Å; F68-A72 WeakPolarHBondContact O-CB 3.42Å; F68-A72 PolarHBondContact O-N 2.76Å
69	V	43.4	Very low	36.9	Very low	78 Å²	78	129.9 Å²	129.9	47%	0.473	68%	0.679	S	S	.	*	H	α-helix	trans	-68.9	-34.7	176.6	178.3	0	0	0	0	111.2	V65 R73	V65-V69 HydrophobicContact CG1-CG2 4.15Å; V69-R73 PolarHBondContact O-N 2.9Å; V69-R73 VanDerWaalsContact O-N 3.12Å
70	H	42.3	Very low	36.8	Very low	136 Å²	136	133.8 Å²	133.8	63%	0.63	68%	0.683	S	S	*	*	H	α-helix	trans	-70.5	-40.3	176.5	-166.1	74.8	0	0	0	112.2	F68 K74	F68-H70 VanDerWaalsContact C-N 3.34Å; H70-K74 PolarHBondContact O-N 3.36Å
71	M	40.3	Very low	37	Very low	135 Å²	135	132 Å²	132	67%	0.665	68%	0.683	S	S	*	*	H	α-helix	trans	-67.7	-41.2	174.3	-75.8	-165	-160.7	0	0	112.6	D67 F68 R73 K74 W75	D67-M71 PolarHBondContact O-N 3.14Å; F68-M71 PolarHBondContact O-N 3.44Å; M71-R73 VanDerWaalsContact C-N 3.33Å; M71-R73 PolarHBondContact O-N 2.88Å; M71-K74 PolarHBondContact O-N 3.19Å; M71-W75 PolarHBondContact O-N 3.47Å; M71-W75 VanDerWaalsContact O-N 3.08Å
72	A	40.5	Very low	37.1	Very low	46 Å²	46	129.1 Å²	129.1	38%	0.38	68%	0.679	S	S	.	*	H	α-helix	trans	-64.4	-37.7	-179.9	0	0	0	0	0	112	F68 W75 V76	F68-A72 VanDerWaalsContact O-CB 3.28Å; F68-A72 WeakPolarHBondContact O-CB 3.42Å; F68-A72 PolarHBondContact O-N 2.76Å; A72-W75 PolarHBondContact O-N 3.03Å; A72-V76 WeakPolarHBondContact O-CG2 3.24Å; A72-V76 PolarHBondContact O-N 2.96Å; A72-V76 VanDerWaalsContact O-N 3.09Å
73	R	41.5	Very low	37	Very low	164 Å²	164	130.3 Å²	130.3	62%	0.619	69%	0.687	S	S	*	*	H	α-helix	trans	-66.3	-39	177.1	-159.1	176.6	-71.5	174.7	-2.4	111.9	V69 M71 W75 V76 E77	V69-R73 PolarHBondContact O-N 2.9Å; V69-R73 VanDerWaalsContact O-N 3.12Å; M71-R73 VanDerWaalsContact C-N 3.33Å; M71-R73 PolarHBondContact O-N 2.88Å; R73-W75 VanDerWaalsContact C-N 3.29Å; R73-W75 PolarHBondContact O-N 2.82Å; R73-V76 PolarHBondContact O-N 2.66Å; R73-E77 WeakPolarHBondContact O-CG 3.43Å; R73-E77 PolarHBondContact O-N 2.94Å
74	K	41.9	Very low	36.9	Very low	148 Å²	148	127.7 Å²	127.7	64%	0.643	68%	0.683	S	S	*	*	H	α-helix	trans	-67.6	-29.5	176.4	-140.5	177.5	-172.6	177	0	113	H70 M71 S78	H70-K74 PolarHBondContact O-N 3.36Å; M71-K74 PolarHBondContact O-N 3.19Å; K74-S78 PolarHBondContact O-OG 3.25Å; K74-S78 VanDerWaalsContact O-OG 3.06Å
75	W	33.6	Very low	36.7	Very low	217 Å²	217	127.6 Å²	127.6	82%	0.822	68%	0.683	S	S	*	*	H	α-helix	trans	-78.9	-32.7	178.4	-151.5	64.7	0	0	0	112.8	M71 A72 R73 S78	M71-W75 PolarHBondContact O-N 3.47Å; M71-W75 VanDerWaalsContact O-N 3.08Å; A72-W75 PolarHBondContact O-N 3.03Å; R73-W75 VanDerWaalsContact C-N 3.29Å; R73-W75 PolarHBondContact O-N 2.82Å; W75-S78 PolarHBondContact O-OG 2.92Å
76	V	42.3	Very low	36.4	Very low	118 Å²	118	129.3 Å²	129.3	72%	0.715	70%	0.696	S	S	*	*	H	α-helix	trans	-74.6	-31.2	175.4	175.1	0	0	0	0	112.1	A72 R73	A72-V76 WeakPolarHBondContact O-CG2 3.24Å; A72-V76 PolarHBondContact O-N 2.96Å; A72-V76 VanDerWaalsContact O-N 3.09Å; R73-V76 PolarHBondContact O-N 2.66Å
77	E	44.1	Very low	35.8	Very low	152 Å²	152	133.5 Å²	133.5	71%	0.71	71%	0.709	S	S	*	*	H	α-helix	trans	-75.6	-21.2	178.7	-74.8	174.5	-175.8	0	0	113.9	R73 G79	R73-E77 WeakPolarHBondContact O-CG 3.43Å; R73-E77 PolarHBondContact O-N 2.94Å; E77-G79 VanDerWaalsContact C-N 3.25Å; E77-G79 PolarHBondContact O-N 3.14Å; E77-G79 VanDerWaalsContact O-N 3.12Å
78	S	40.3	Very low	35	Very low	84 Å²	84	130.7 Å²	130.7	59%	0.587	71%	0.71	S	S	*	*	S	Bend	trans	-90.6	55.1	178.1	48.9	0	0	0	0	112	K74 W75 K80	K74-S78 PolarHBondContact O-OG 3.25Å; K74-S78 VanDerWaalsContact O-OG 3.06Å; W75-S78 PolarHBondContact O-OG 2.92Å; S78-K80 PolarHBondContact O-N 2.74Å
79	G	29.5	Very low	34.8	Very low	62 Å²	62	130.5 Å²	130.5	64%	0.639	72%	0.716	S	S	*	*			trans	-64	114.3	172.5	0	0	0	0	0	112.3	E77	E77-G79 VanDerWaalsContact C-N 3.25Å; E77-G79 PolarHBondContact O-N 3.14Å; E77-G79 VanDerWaalsContact O-N 3.12Å
80	K	31.2	Very low	34.3	Very low	190 Å²	190	134.6 Å²	134.6	83%	0.826	73%	0.734	S	S	*	*			trans	-173.8	118.5	143	-102.9	164.3	-170	-177.1	0	110.3	S78 T82	S78-K80 PolarHBondContact O-N 2.74Å; K80-T82 PolarHBondContact O-N 2.96Å
81	P	28.5	Very low	33.7	Very low	128 Å²	128	134.2 Å²	134.2	83%	0.831	74%	0.741	S	S	*	*			trans	-82.7	108	-179.9	31.8	-29.3	0	0	0	109.8	T83	P81-T83 PolarHBondContact O-N 3.48Å
82	T	31.3	Very low	33.3	Very low	129 Å²	129	137.4 Å²	137.4	79%	0.791	75%	0.751	S	S	*	*			trans	-83.9	103.9	167.8	30.8	0	0	0	0	109.7	K80 V84	K80-T82 PolarHBondContact O-N 2.96Å; T82-V84 PolarHBondContact O-N 3.45Å
83	T	27.2	Very low	33	Very low	140 Å²	140	143 Å²	143	86%	0.859	77%	0.769	S	S	*	*			trans	-57	110.9	166	41.1	0	0	0	0	110.9	P81	P81-T83 PolarHBondContact O-N 3.48Å
84	V	29.1	Very low	32.6	Very low	132 Å²	132	143.5 Å²	143.5	80%	0.8	78%	0.779	S	S	*	*			trans	-116.1	117.7	166.2	-177.4	0	0	0	0	108.5	T82	T82-V84 PolarHBondContact O-N 3.45Å
85	K	30	Very low	32.1	Very low	187 Å²	187	143.5 Å²	143.5	81%	0.813	79%	0.785	S	S	*	*			trans	-64	141	179.8	-73.6	178.3	175.9	177.3	0	110.8	T87	K85-T87 PolarHBondContact O-N 3.19Å
86	P	28.3	Very low	32.2	Very low	127 Å²	127	137.7 Å²	137.7	83%	0.825	78%	0.777	S	S	*	*			trans	-78.4	114.1	-172.5	30.9	-33.4	0	0	0	111.5	G88	P86-G88 PolarHBondContact O-N 3.12Å
87	T	28.3	Very low	31.8	Very low	149 Å²	149	140.1 Å²	140.1	91%	0.914	78%	0.781	S	S	*	*			trans	-76.5	74.1	165.2	36.8	0	0	0	0	109.9	K85 N89	K85-T87 PolarHBondContact O-N 3.19Å; T87-N89 PolarHBondContact O-N 2.65Å
88	G	27.7	Very low	31.1	Very low	65 Å²	65	140.5 Å²	140.5	67%	0.67	79%	0.786	S	S	*	*			trans	-94.1	77.8	173.1	0	0	0	0	0	111.5	P86	P86-G88 PolarHBondContact O-N 3.12Å
89	N	30.3	Very low	30.5	Very low	154 Å²	154	146.2 Å²	146.2	82%	0.824	80%	0.801	S	S	*	*			trans	-154	90.9	167.1	-94.2	-21.5	0	0	0	109.2	T87	T87-N89 PolarHBondContact O-N 2.65Å
90	L	31.4	Very low	30.4	Very low	164 Å²	164	151.7 Å²	151.7	86%	0.859	81%	0.81	S	S	*	*	S	Bend	trans	-177.1	1.6	149.4	-103.7	149.4	0	0	0	116.5
91	V	31.3	Very low	30.2	Very low	127 Å²	127	149.8 Å²	149.8	77%	0.77	81%	0.808	S	S	*	*	S	Bend	trans	-108.4	7.2	-178.6	-169.5	0	0	0	0	114.4
92	K	31.5	Very low	30.1	Very low	202 Å²	202	153.4 Å²	153.4	88%	0.878	81%	0.811	S	S	*	*	S	Bend	trans	-98.3	3	173.9	-91.6	-172.4	178	-179.7	0	116.1
93	Q	33.7	Very low	30	Very low	163 Å²	163	155 Å²	155	76%	0.762	81%	0.814	S	S	*	*	S	Bend	trans	-105.5	3	179.8	-93.4	-175.5	-5.5	0	0	116.4
94	Q	32.9	Very low	30.1	Very low	175 Å²	175	154 Å²	154	82%	0.818	81%	0.81	S	S	*	*	S	Bend	trans	-112.3	2	174.9	-86.9	178.5	-15	0	0	115.7
95	I	32	Very low	30	Very low	149 Å²	149	158.1 Å²	158.1	76%	0.764	82%	0.817	S	S	*	*	S	Bend	trans	-102.1	-6.4	174.8	-61.6	178.7	0	0	0	112.5
96	S	35.2	Very low	30	Very low	94 Å²	94	154.6 Å²	154.6	66%	0.657	82%	0.816	S	S	*	*	S	Bend	trans	-89.5	-0.2	175.6	59.7	0	0	0	0	115.3
97	Q	33.7	Very low	29.8	Very low	170 Å²	170	153.9 Å²	153.9	79%	0.794	81%	0.814	S	S	*	*	S	Bend	trans	-110.8	10.6	-178.9	-75.5	-168.5	-9.6	0	0	116
98	L	29.8	Very low	29.8	Very low	159 Å²	159	153.5 Å²	153.5	83%	0.832	81%	0.812	S	S	*	*	S	Bend	trans	-122.8	31.9	178.4	-77.2	169.9	0	0	0	115.1
99	K	27.7	Very low	29.9	Very low	205 Å²	205	157.4 Å²	157.4	89%	0.891	82%	0.817	S	S	*	*			trans	-138.7	35.7	169	-75.6	-164.9	178.1	-176.1	0	114.4
100	Q	28	Very low	29.6	Very low	176 Å²	176	155.4 Å²	155.4	82%	0.822	82%	0.815	S	S	*	*			trans	-117.6	102.2	163.5	-77.2	-172.1	-10.4	0	0	108.6
101	N	27.4	Very low	29.5	Very low	150 Å²	150	157 Å²	157	80%	0.802	82%	0.815	S	S	*	*	S	Bend	trans	161.1	138.8	147.1	-78.9	-19.7	0	0	0	107.3
102	F	25.8	Very low	29.7	Very low	204 Å²	204	156 Å²	156	90%	0.895	81%	0.812	S	S	*	*			trans	90.8	71.9	-174.8	-64.5	-84.9	0	0	0	117.3
103	I	28.9	Very low	29.3	Very low	163 Å²	163	152.1 Å²	152.1	84%	0.836	81%	0.81	S	S	*	*			trans	-141.2	123.8	130.6	-55	-177.1	0	0	0	107.6
104	P	30.2	Very low	29	Very low	120 Å²	120	155.6 Å²	155.6	78%	0.779	82%	0.816	S	S	*	*			trans	-80.4	141.2	-174.5	15.9	-3.9	0	0	0	112.5	S106	P104-S106 PolarHBondContact O-N 3.15Å
105	K	26	Very low	28.6	Very low	217 Å²	217	153.4 Å²	153.4	94%	0.943	82%	0.815	S	S	*	*			trans	-67.3	121.3	176.1	-64.3	174.6	178.3	176.6	0	110.1
106	S	29.7	Very low	28.5	Very low	113 Å²	113	151.9 Å²	151.9	79%	0.79	81%	0.814	S	S	*	*			trans	-125.8	121.9	155.8	57	0	0	0	0	109.1	P104	P104-S106 PolarHBondContact O-N 3.15Å
107	S	24.4	Very low	28.1	Very low	113 Å²	113	157 Å²	157	79%	0.79	83%	0.828	S	S	*	*			trans	-69.7	130.2	-178.9	47.4	0	0	0	0	111.5
108	T	29	Very low	27.9	Very low	141 Å²	141	154.3 Å²	154.3	87%	0.865	83%	0.828	S	S	*	*			trans	-135.7	125.5	157.8	41	0	0	0	0	110
109	N	28.6	Very low	27.7	Very low	146 Å²	146	153 Å²	153	78%	0.781	83%	0.827	S	S	*	*			trans	-66.3	142.5	-172.4	-77.9	-34.4	0	0	0	112.6
110	S	24.5	Very low	28.3	Very low	113 Å²	113	149.1 Å²	149.1	79%	0.79	82%	0.823	S	S	*	*			trans	-60.3	128.8	161.8	42.7	0	0	0	0	111.5
111	F	30.2	Very low	28.6	Very low	197 Å²	197	148.4 Å²	148.4	86%	0.864	83%	0.825	S	S	*	*			trans	-133.7	145.3	157.6	-102	-90	0	0	0	110
112	P	33.8	Very low	28.8	Very low	107 Å²	107	147 Å²	147	70%	0.695	82%	0.817	S	S	*	*			trans	-96.7	154.2	-145	36.3	-32.2	0	0	0	113.7	R114	P112-R114 PolarHBondContact O-N 3.25Å
113	S	24.3	Very low	29.4	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	81%	0.81	S	S	*	*			trans	-47.4	122.5	169.1	53.5	0	0	0	0	113.3
114	R	26.9	Very low	29.7	Very low	236 Å²	236	143.7 Å²	143.7	89%	0.891	81%	0.813	S	S	*	*			trans	-131.5	111.6	149.7	-155.8	176	-171.5	-162.4	2.1	108.5	P112 P116	P112-R114 PolarHBondContact O-N 3.25Å; R114-P116 WeakPolarHBondContact O-CD 3.44Å
115	T	25.1	Very low	29.7	Very low	130 Å²	130	147.6 Å²	147.6	80%	0.798	81%	0.813	S	S	*	*			trans	-65.1	136.7	168.3	36	0	0	0	0	110
116	P	30.3	Very low	30.3	Very low	116 Å²	116	142.4 Å²	142.4	75%	0.753	80%	0.801	S	S	*	*			trans	-125.1	131.5	139.1	20.5	-2.4	0	0	0	110.3	R114 S118	R114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-S118 PolarHBondContact O-N 3.46Å
117	Q	26.7	Very low	30.9	Very low	202 Å²	202	147 Å²	147	94%	0.944	81%	0.807	S	S	*	*			trans	-49.6	121.5	174.8	-65.6	160.1	-23.8	0	0	110.8
118	S	28.9	Very low	32.1	Very low	114 Å²	114	147.8 Å²	147.8	80%	0.797	81%	0.807	S	S	*	*			trans	-134	139.9	156.5	56.3	0	0	0	0	108.6	P116	P116-S118 PolarHBondContact O-N 3.46Å
119	T	26.1	Very low	33.9	Very low	130 Å²	130	146.5 Å²	146.5	80%	0.798	80%	0.804	S	S	*	*			trans	-64.2	146.9	-158	43.5	0	0	0	0	114.5	N121	T119-N121 PolarHBondContact O-N 3.07Å; T119-N121 VanDerWaalsContact O-N 3.08Å
120	P	40	Very low	36.4	Very low	125 Å²	125	143.7 Å²	143.7	81%	0.812	79%	0.788	S	S	*	*	S	Bend	trans	-80	97.5	-173.4	32.2	-30.8	0	0	0	110
121	N	33.8	Very low	39.2	Very low	161 Å²	161	139.9 Å²	139.9	86%	0.861	76%	0.764	S	S	*	*			trans	-151.4	7.1	160.2	-101.3	-13.1	0	0	0	115.3	T119	T119-N121 PolarHBondContact O-N 3.07Å; T119-N121 VanDerWaalsContact O-N 3.08Å
122	D	32.4	Very low	42.1	Very low	119 Å²	119	135 Å²	135	64%	0.636	75%	0.747	S	S	*	*			trans	-98.8	10.9	-179.7	-107.8	-34.8	0	0	0	114.7	F124 R125	D122-F124 PolarHBondContact O-N 3.47Å; D122-F124 VanDerWaalsContact O-N 3.08Å; D122-R125 IonicContact OD1-NE 3.86Å; D122-R125 PolarHBondContact OD1-NE 2.73Å; D122-R125 IonicContact OD1-NH2 3.28Å
123	A	37.2	Very low	45	Very low	92 Å²	92	129.9 Å²	129.9	76%	0.76	71%	0.714	S	S	*	*	S	Bend	trans	-84.9	37.8	-177.7	0	0	0	0	0	114.2
124	F	35.9	Very low	48.4	Very low	206 Å²	206	125.9 Å²	125.9	90%	0.904	68%	0.683	S	S	*	*			trans	-157.1	59.5	165.7	-89.9	-77.2	0	0	0	110.6	D122 P126	D122-F124 PolarHBondContact O-N 3.47Å; D122-F124 VanDerWaalsContact O-N 3.08Å; F124-P126 WeakPolarHBondContact O-CD 3.23Å
125	R	30.4	Very low	51.7	Low	202 Å²	202	114.7 Å²	114.7	76%	0.762	64%	0.641	S	S	*	*			trans	-90.6	101.6	157.7	-73.9	-168.6	-170.5	-159	2	108.6	D122 K127	D122-R125 IonicContact OD1-NE 3.86Å; D122-R125 PolarHBondContact OD1-NE 2.73Å; D122-R125 IonicContact OD1-NH2 3.28Å; R125-K127 PolarHBondContact O-N 3.05Å
126	P	38.4	Very low	55.2	Low	109 Å²	109	108.8 Å²	108.8	71%	0.708	60%	0.604	S	S	*	*			trans	-59.3	131.7	169.6	25.4	-30.7	0	0	0	107.5	F124 T128	F124-P126 WeakPolarHBondContact O-CD 3.23Å; P126-T128 PolarHBondContact O-N 3.21Å
127	K	42.9	Very low	58.3	Low	209 Å²	209	103.4 Å²	103.4	91%	0.909	57%	0.569	S	S	*	*			trans	-52.6	105.6	171.3	-73.3	-180	177.6	179.7	0	107.2	R125 S129	R125-K127 PolarHBondContact O-N 3.05Å; K127-S129 PolarHBondContact O-N 2.69Å
128	T	48.8	Very low	61.5	Low	130 Å²	130	95.9 Å²	95.9	80%	0.798	54%	0.538	S	S	*	.			trans	-59.2	111.3	176.5	33.4	0	0	0	0	107.5	P126 L130	P126-T128 PolarHBondContact O-N 3.21Å; T128-L130 PolarHBondContact O-N 3.49Å
129	S	67.8	Low	64.6	Low	114 Å²	114	92.5 Å²	92.5	80%	0.797	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-62.5	118.5	174.5	57	0	0	0	0	108.1	K127	K127-S129 PolarHBondContact O-N 2.69Å
130	L	79.3	Confident	67.7	Low	86 Å²	86	87.3 Å²	87.3	45%	0.45	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-54	139.6	175	-63.1	172.2	0	0	0	109.9	T128 N132 D190 E191 H193	T128-L130 PolarHBondContact O-N 3.49Å; L130-N132 PolarHBondContact O-N 3.17Å; L130-D190 WeakPolarHBondContact CD2-O 3.37Å; L130-E191 WeakPolarHBondContact CA-O 3.43Å; L130-E191 VanDerWaalsContact CD2-C 3.47Å; L130-H193 HydrophobicContact CB-CB 4.04Å; L130-H193 HydrophobicContact CD1-CB 4.31Å
131	A	84.4	Confident	70.2	Confident	33 Å²	33	83.8 Å²	83.8	27%	0.273	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123.5	175.9	0	0	0	0	0	109.6	E191 L192 H193	A131-E191 PolarHBondContact N-O 3.43Å; A131-L192 HydrophobicContact CB-CD2 3.83Å; A131-L192 WeakPolarHBondContact O-CA 3.49Å; A131-H193 PolarHBondContact O-N 2.94Å
132	N	91.1	Very high	73.1	Confident	94 Å²	94	77.8 Å²	77.8	50%	0.503	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134.1	179.9	-67.8	-7.4	0	0	0	111.2	L130 H193	L130-N132 PolarHBondContact O-N 3.17Å; N132-H193 WeakPolarHBondContact CA-O 3.47Å
133	V	94.4	Very high	76.2	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.006	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	115.9	175.6	-178	0	0	0	0	107.6	V145 A147 L153 L192 H193 L194 E195	V133-V145 HydrophobicContact CG1-CG1 3.47Å; V133-V145 VanDerWaalsContact CG1-CG1 3.47Å; V133-A147 HydrophobicContact CB-CB 4.39Å; V133-A147 HydrophobicContact CG1-CB 4.34Å; V133-A147 HydrophobicContact CG2-CB 3.99Å; V133-L153 HydrophobicContact CG1-CD2 4.37Å; V133-L153 HydrophobicContact CG2-CD2 3.87Å; V133-L192 HydrophobicContact CG2-CB 4.24Å; V133-L192 HydrophobicContact CG2-CD1 4.19Å; V133-L192 HydrophobicContact CG2-CD2 4.11Å; V133-L192 HydrophobicContact CG2-CG 4.41Å; V133-H193 PolarHBondContact N-O 3.38Å; V133-L194 HydrophobicContact CB-CD1 4.14Å; V133-L194 HydrophobicContact CG1-CD1 3.87Å; V133-L194 CarbonylContact O-C 3.58Å; V133-L194 WeakPolarHBondContact O-CA 3.09Å; V133-E195 PolarHBondContact O-N 2.85Å
134	L	95.2	Very high	79	Confident	35 Å²	35	68.9 Å²	68.9	18%	0.183	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.9	-179.7	165.3	70.4	0	0	0	110	T136 H146 E195	L134-T136 HydrophobicContact CD1-CG2 4.31Å; L134-T136 HydrophobicContact CD2-CG2 4.01Å; L134-T136 HydrophobicContact CG-CG2 3.89Å; L134-H146 HydrophobicContact CB-CB 4.11Å; L134-H146 HydrophobicContact CD2-CB 4.42Å; L134-H146 HydrophobicContact CG-CB 4.47Å; L134-H146 PolarHBondContact N-O 3.27Å; L134-H146 PolarHBondContact O-N 2.76Å; L134-E195 HydrophobicContact CB-CB 4.37Å; L134-E195 HydrophobicContact CD1-CB 3.84Å
135	C	97.5	Very high	81.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134.1	171.4	-61.3	0	0	0	0	110.2	F143 E144 Y179 F182 E195 L197 R430	C135-F143 HydrophobicContact CB-CD2 4.39Å; C135-E144 WeakPolarHBondContact CA-O 3.34Å; C135-Y179 HydrophobicContact CB-CE2 4.3Å; C135-F182 VanDerWaalsContact SG-CE1 3.54Å; C135-E195 PolarHBondContact N-O 3.32Å; C135-L197 HydrophobicContact CB-CD2 4.11Å; C135-L197 HydrophobicContact CB-CG 4.18Å; C135-R430 PolarHBondContact O-NH2 3.42Å
136	T	97	Very high	84.9	Confident	6 Å²	6	52 Å²	52	4%	0.037	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157.2	174.9	68.2	0	0	0	0	110.8	L134 F143 E144 H146 N448 E451	L134-T136 HydrophobicContact CD1-CG2 4.31Å; L134-T136 HydrophobicContact CD2-CG2 4.01Å; L134-T136 HydrophobicContact CG-CG2 3.89Å; T136-F143 CarbonylContact O-C 3.47Å; T136-F143 WeakPolarHBondContact O-CA 3.46Å; T136-F143 WeakPolarHBondContact O-CB 3.37Å; T136-E144 PolarHBondContact N-O 3.34Å; T136-E144 PolarHBondContact O-N 2.75Å; T136-H146 PolarHBondContact OG1-NE2 3.12Å; T136-N448 WeakPolarHBondContact CG2-OD1 3.46Å; T136-E451 VanDerWaalsContact CA-OE2 3.31Å; T136-E451 WeakPolarHBondContact CA-OE2 3.43Å
137	L	96.4	Very high	87.5	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.016	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.5	172.5	-161.3	71.3	0	0	0	111	S139 R142 L176 V201 F205 E451 L454	L137-S139 WeakPolarHBondContact CD1-O 3.45Å; L137-S139 WeakPolarHBondContact CG-O 3.38Å; L137-R142 WeakPolarHBondContact CD1-O 3.47Å; L137-L176 HydrophobicContact CD1-CD1 3.99Å; L137-L176 HydrophobicContact CD1-CD2 4.07Å; L137-V201 HydrophobicContact CD2-CG1 4.47Å; L137-F205 HydrophobicContact CD2-CD2 4.15Å; L137-F205 HydrophobicContact CD2-CE1 4.29Å; L137-F205 HydrophobicContact CD2-CE2 3.66Å; L137-F205 HydrophobicContact CD2-CZ 3.75Å; L137-E451 HydrophobicContact CB-CB 3.9Å; L137-E451 HydrophobicContact CB-CG 3.82Å; L137-E451 PolarHBondContact N-OE2 3.36Å; L137-L454 HydrophobicContact CD2-CB 3.95Å; L137-L454 HydrophobicContact CD2-CD1 3.53Å; L137-L454 HydrophobicContact CD2-CG 4.37Å; L137-L454 HydrophobicContact CG-CD1 3.86Å
138	C	94	Very high	89.6	Confident	44 Å²	44	49.4 Å²	49.4	30%	0.297	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-18.7	176.1	64.7	0	0	0	0	113.3	R142 E144 T450	C138-R142 PolarHBondContact N-O 3Å; C138-R142 VanDerWaalsContact N-O 3.11Å; C138-R142 PolarHBondContact SG-O 3.08Å; C138-R142 VanDerWaalsContact SG-O 3.34Å; C138-E144 HydrophobicContact CB-CB 4.06Å; C138-T450 WeakPolarHBondContact O-CG2 3.36Å
139	S	93.6	Very high	91.5	Very high	43 Å²	43	52.4 Å²	52.4	30%	0.301	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	171.1	170.4	68.5	0	0	0	0	109.8	L137 N141 R142	L137-S139 WeakPolarHBondContact CD1-O 3.45Å; L137-S139 WeakPolarHBondContact CG-O 3.38Å; S139-N141 PolarHBondContact O-N 3.2Å; S139-N141 PolarHBondContact OG-N 3.36Å; S139-R142 PolarHBondContact N-O 3.21Å; S139-R142 PolarHBondContact O-N 2.91Å; S139-R142 WeakPolarHBondContact OG-CB 3.37Å; S139-R142 PolarHBondContact OG-N 2.99Å; S139-R142 VanDerWaalsContact OG-N 3.12Å
140	A	91	Very high	92.5	Very high	21 Å²	21	48.5 Å²	48.5	17%	0.174	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-22	177.5	0	0	0	0	0	114.1	F205 L454	A140-F205 HydrophobicContact CB-CE1 4.25Å; A140-L454 HydrophobicContact CB-CD2 4.4Å
141	N	92.5	Very high	93	Very high	51 Å²	51	48.4 Å²	48.4	27%	0.273	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-3.6	-173.8	-60.1	-26.5	0	0	0	113.5	S139 L176 R208	S139-N141 PolarHBondContact O-N 3.2Å; S139-N141 PolarHBondContact OG-N 3.36Å; N141-L176 WeakPolarHBondContact O-CB 3.33Å; N141-L176 PolarHBondContact O-N 2.96Å; N141-R208 PolarHBondContact OD1-NE 3.2Å
142	R	95.6	Very high	93.2	Very high	35 Å²	35	47.7 Å²	47.7	13%	0.132	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	140.7	-174.8	-57	-175.2	67.2	77.8	-0.9	112.6	L137 C138 S139 S162 Q164 S173 F174	L137-R142 WeakPolarHBondContact CD1-O 3.47Å; C138-R142 PolarHBondContact N-O 3Å; C138-R142 VanDerWaalsContact N-O 3.11Å; C138-R142 PolarHBondContact SG-O 3.08Å; C138-R142 VanDerWaalsContact SG-O 3.34Å; S139-R142 PolarHBondContact N-O 3.21Å; S139-R142 PolarHBondContact O-N 2.91Å; S139-R142 WeakPolarHBondContact OG-CB 3.37Å; S139-R142 PolarHBondContact OG-N 2.99Å; S139-R142 VanDerWaalsContact OG-N 3.12Å; R142-S162 PolarHBondContact NH1-O 3.48Å; R142-S162 PolarHBondContact NH2-O 2.98Å; R142-Q164 VanDerWaalsContact NH2-CG 3.33Å; R142-S173 PolarHBondContact NE-OG 3Å; R142-S173 PolarHBondContact NH2-O 2.82Å; R142-S173 PolarHBondContact NH2-OG 3.12Å; R142-S173 VanDerWaalsContact NH2-OG 3.14Å; R142-F174 CarbonylContact C-O 3.53Å; R142-F174 WeakPolarHBondContact CA-O 3.2Å; R142-F174 WeakPolarHBondContact CB-O 3.17Å
143	F	97.3	Very high	93.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	150.1	169.6	75.5	-82.4	0	0	0	110.7	C135 T136 V145 S173 F174 D175 L176 Y179 F182	C135-F143 HydrophobicContact CB-CD2 4.39Å; T136-F143 CarbonylContact O-C 3.47Å; T136-F143 WeakPolarHBondContact O-CA 3.46Å; T136-F143 WeakPolarHBondContact O-CB 3.37Å; F143-V145 HydrophobicContact CD2-CG2 4.1Å; F143-V145 HydrophobicContact CE2-CG2 3.75Å; F143-S173 CarbonylContact O-C 3.19Å; F143-S173 WeakPolarHBondContact O-CA 3.42Å; F143-S173 WeakPolarHBondContact O-CB 3.46Å; F143-F174 HydrophobicContact CD1-CB 4.28Å; F143-F174 HydrophobicContact CE1-CB 3.63Å; F143-F174 HydrophobicContact CE2-CB 4.49Å; F143-F174 AromaticContact CE2-CD2 3.99Å; F143-F174 HydrophobicContact CE2-CD2 3.99Å; F143-F174 HydrophobicContact CZ-CB 3.74Å; F143-F174 AromaticContact CZ-CD2 3.94Å; F143-F174 HydrophobicContact CZ-CD2 3.94Å; F143-F174 HydrophobicContact CZ-CG 4.17Å; F143-F174 PolarHBondContact N-O 2.74Å; F143-F174 PolarHBondContact O-N 2.99Å; F143-D175 WeakPolarHBondContact CE1-O 3.13Å; F143-L176 HydrophobicContact CB-CD1 4.19Å; F143-L176 HydrophobicContact CD1-CD1 4.2Å; F143-Y179 HydrophobicContact CD1-CD2 4.21Å; F143-Y179 HydrophobicContact CD2-CD2 4.21Å; F143-Y179 HydrophobicContact CE1-CD2 4.16Å; F143-Y179 HydrophobicContact CE2-CD2 4.18Å; F143-Y179 HydrophobicContact CG-CD2 4.23Å; F143-Y179 HydrophobicContact CZ-CD2 4.15Å; F143-F182 HydrophobicContact CE2-CB 4.42Å; F143-F182 AromaticContact CE2-CD1 3.74Å; F143-F182 HydrophobicContact CE2-CD1 3.74Å; F143-F182 HydrophobicContact CE2-CD2 4.42Å; F143-F182 HydrophobicContact CE2-CE1 4.12Å; F143-F182 AromaticContact CE2-CG 3.91Å; F143-F182 HydrophobicContact CE2-CG 3.91Å; F143-F182 HydrophobicContact CZ-CB 3.76Å; F143-F182 AromaticContact CZ-CD1 3.96Å; F143-F182 HydrophobicContact CZ-CD1 3.96Å; F143-F182 HydrophobicContact CZ-CD2 4.28Å; F143-F182 AromaticContact CZ-CG 3.71Å; F143-F182 HydrophobicContact CZ-CG 3.71Å
144	E	96.5	Very high	93	Very high	24 Å²	24	44.4 Å²	44.4	11%	0.112	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	147	179.7	180	169.4	-96.9	0	0	110.3	C135 T136 C138 H146 R171 W172	C135-E144 WeakPolarHBondContact CA-O 3.34Å; T136-E144 PolarHBondContact N-O 3.34Å; T136-E144 PolarHBondContact O-N 2.75Å; C138-E144 HydrophobicContact CB-CB 4.06Å; E144-H146 IonicContact OE2-CE1 2.82Å; E144-H146 PolarHBondContact OE2-CE1 2.91Å; E144-H146 IonicContact OE2-NE2 3.7Å; E144-H146 PolarHBondContact OE2-NE2 2.95Å; E144-R171 HydrophobicContact CG-CB 3.89Å; E144-R171 VanDerWaalsContact OE1-CB 3.29Å; E144-R171 WeakPolarHBondContact OE1-CB 3.13Å; E144-R171 WeakPolarHBondContact OE1-CD 3.21Å; E144-R171 WeakPolarHBondContact OE2-CD 3.36Å; E144-R171 IonicContact OE2-CZ 2.94Å; E144-R171 IonicContact OE2-NE 3.2Å; E144-R171 IonicContact OE2-NH1 3.68Å; E144-R171 PolarHBondContact OE2-NH1 2.82Å; E144-W172 WeakPolarHBondContact CA-O 3.2Å
145	V	96.3	Very high	92.9	Very high	5 Å²	5	49 Å²	49	3%	0.03	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122	-179.4	-175	0	0	0	0	110.5	V133 F143 F157 W172 F174 F182	V133-V145 HydrophobicContact CG1-CG1 3.47Å; V133-V145 VanDerWaalsContact CG1-CG1 3.47Å; F143-V145 HydrophobicContact CD2-CG2 4.1Å; F143-V145 HydrophobicContact CE2-CG2 3.75Å; V145-F157 HydrophobicContact CB-CE1 4.12Å; V145-F157 HydrophobicContact CB-CZ 3.95Å; V145-F157 HydrophobicContact CG1-CE1 3.91Å; V145-F157 HydrophobicContact CG1-CZ 3.63Å; V145-F157 HydrophobicContact CG2-CE1 4.29Å; V145-W172 PolarHBondContact N-O 3.37Å; V145-F174 HydrophobicContact CB-CE2 4.47Å; V145-F174 HydrophobicContact CG2-CD2 3.99Å; V145-F174 HydrophobicContact CG2-CE2 3.75Å; V145-F182 HydrophobicContact CB-CZ 4.4Å; V145-F182 HydrophobicContact CG1-CZ 3.97Å; V145-F182 HydrophobicContact CG2-CE1 4.02Å; V145-F182 HydrophobicContact CG2-CE2 3.98Å; V145-F182 HydrophobicContact CG2-CZ 3.53Å
146	H	93.6	Very high	92.7	Very high	48 Å²	48	49.7 Å²	49.7	22%	0.222	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	106.7	179.5	-59.4	-125.8	0	0	0	108.8	L134 T136 E144 R171	L134-H146 HydrophobicContact CB-CB 4.11Å; L134-H146 HydrophobicContact CD2-CB 4.42Å; L134-H146 HydrophobicContact CG-CB 4.47Å; L134-H146 PolarHBondContact N-O 3.27Å; L134-H146 PolarHBondContact O-N 2.76Å; T136-H146 PolarHBondContact OG1-NE2 3.12Å; E144-H146 IonicContact OE2-CE1 2.82Å; E144-H146 PolarHBondContact OE2-CE1 2.91Å; E144-H146 IonicContact OE2-NE2 3.7Å; E144-H146 PolarHBondContact OE2-NE2 2.95Å; H146-R171 PolarHBondContact CE1-NH1 2.64Å
147	A	92.2	Very high	92.6	Very high	44 Å²	44	49.9 Å²	49.9	36%	0.364	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	156.3	178.4	0	0	0	0	0	110.6	V133 L153	V133-A147 HydrophobicContact CB-CB 4.39Å; V133-A147 HydrophobicContact CG1-CB 4.34Å; V133-A147 HydrophobicContact CG2-CB 3.99Å; A147-L153 HydrophobicContact CB-CD2 3.43Å; A147-L153 VanDerWaalsContact CB-CD2 3.43Å
148	R	87.8	Confident	92.4	Very high	221 Å²	221	55.9 Å²	55.9	83%	0.834	28%	0.276	S	S	*	.			trans	-70	160.1	164.6	-67.7	-175.7	179.4	-177.6	0.8	109.5	H150	R148-H150 PolarHBondContact O-N 3.31Å; R148-H150 VanDerWaalsContact O-N 3.17Å
149	Y	87.2	Confident	92.3	Very high	193 Å²	193	57 Å²	57	76%	0.757	28%	0.284	S	S	*	.			trans	-55.3	124.3	176.5	176.8	-98.2	0	0	0	110.7
150	H	90.6	Very high	92.3	Very high	32 Å²	32	55.1 Å²	55.1	15%	0.148	27%	0.271	C	S	.	.			trans	-140.3	132.4	174.5	-172.3	-102.4	0	0	0	108.4	R148 G152 L153 T154 E191 L192	R148-H150 PolarHBondContact O-N 3.31Å; R148-H150 VanDerWaalsContact O-N 3.17Å; H150-G152 PolarHBondContact ND1-N 3Å; H150-L153 HydrophobicContact CB-CB 3.85Å; H150-L153 PolarHBondContact ND1-N 3.25Å; H150-L153 PolarHBondContact O-N 3.11Å; H150-T154 WeakPolarHBondContact O-CB 3.24Å; H150-T154 PolarHBondContact O-N 3.13Å; H150-T154 PolarHBondContact O-OG1 2.93Å; H150-E191 IonicContact CE1-OE2 3.38Å; H150-E191 PolarHBondContact CE1-OE2 3.44Å; H150-E191 IonicContact NE2-OE2 3.74Å; H150-E191 PolarHBondContact NE2-OE2 2.91Å; H150-L192 HydrophobicContact CB-CD2 4.42Å
151	V	88.5	Confident	92.3	Very high	83 Å²	83	60.9 Å²	60.9	50%	0.503	30%	0.299	S	S	.	.	H	α-helix	trans	-65.2	-46.5	-173.1	63.3	0	0	0	0	111.6	L153 T154 Q155	V151-L153 VanDerWaalsContact C-N 3.3Å; V151-L153 PolarHBondContact O-N 3.31Å; V151-T154 PolarHBondContact O-N 3.07Å; V151-Q155 WeakPolarHBondContact O-CG 3.36Å; V151-Q155 PolarHBondContact O-N 3.26Å
152	G	89.4	Confident	92.3	Very high	19 Å²	19	59.7 Å²	59.7	20%	0.196	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-36.3	178.5	0	0	0	0	0	112.4	H150 Q155 L156	H150-G152 PolarHBondContact ND1-N 3Å; G152-Q155 PolarHBondContact O-N 3.02Å; G152-L156 WeakPolarHBondContact O-CB 3.39Å; G152-L156 PolarHBondContact O-N 3.29Å
153	L	91.5	Very high	92.3	Very high	2 Å²	2	62 Å²	62	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-70.7	-38.3	177.8	-168.6	64.5	0	0	0	111.3	V133 A147 H150 V151 L156 F157 V186 L192	V133-L153 HydrophobicContact CG1-CD2 4.37Å; V133-L153 HydrophobicContact CG2-CD2 3.87Å; A147-L153 HydrophobicContact CB-CD2 3.43Å; A147-L153 VanDerWaalsContact CB-CD2 3.43Å; H150-L153 HydrophobicContact CB-CB 3.85Å; H150-L153 PolarHBondContact ND1-N 3.25Å; H150-L153 PolarHBondContact O-N 3.11Å; V151-L153 VanDerWaalsContact C-N 3.3Å; V151-L153 PolarHBondContact O-N 3.31Å; L153-L156 WeakPolarHBondContact O-CB 3.5Å; L153-L156 PolarHBondContact O-N 3.45Å; L153-F157 HydrophobicContact CD1-CD1 4.31Å; L153-F157 HydrophobicContact CD1-CE1 3.61Å; L153-F157 HydrophobicContact CD1-CZ 3.87Å; L153-F157 HydrophobicContact CD2-CE1 4.17Å; L153-F157 HydrophobicContact CD2-CE2 4.05Å; L153-F157 HydrophobicContact CD2-CZ 3.53Å; L153-F157 HydrophobicContact CG-CD1 4.27Å; L153-F157 HydrophobicContact CG-CD2 4.48Å; L153-F157 HydrophobicContact CG-CE1 3.59Å; L153-F157 HydrophobicContact CG-CE2 3.83Å; L153-F157 HydrophobicContact CG-CZ 3.36Å; L153-F157 WeakPolarHBondContact O-CD1 3.38Å; L153-F157 WeakPolarHBondContact O-CG 3.38Å; L153-F157 PolarHBondContact O-N 2.98Å; L153-V186 HydrophobicContact CD1-CG2 4.05Å; L153-L192 HydrophobicContact CB-CD1 4.27Å; L153-L192 HydrophobicContact CD1-CD1 4.01Å
154	T	89.9	Confident	92.1	Very high	24 Å²	24	67.2 Å²	67.2	15%	0.147	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-38.3	176.5	-54.9	0	0	0	0	111.8	H150 V151 F157 K158	H150-T154 WeakPolarHBondContact O-CB 3.24Å; H150-T154 PolarHBondContact O-N 3.13Å; H150-T154 PolarHBondContact O-OG1 2.93Å; V151-T154 PolarHBondContact O-N 3.07Å; T154-F157 PolarHBondContact O-N 3.01Å; T154-K158 WeakPolarHBondContact O-CG 3.34Å; T154-K158 PolarHBondContact O-N 2.83Å; T154-K158 VanDerWaalsContact O-N 3.09Å
155	Q	92	Very high	92	Very high	132 Å²	132	71.6 Å²	71.6	62%	0.617	35%	0.346	S	S	*	.	H	α-helix	trans	-65.4	-42.1	173.6	-72.4	176.4	-7.9	0	0	111.4	V151 G152 K158 S159	V151-Q155 WeakPolarHBondContact O-CG 3.36Å; V151-Q155 PolarHBondContact O-N 3.26Å; G152-Q155 PolarHBondContact O-N 3.02Å; Q155-K158 PolarHBondContact O-N 3.33Å; Q155-S159 PolarHBondContact O-N 2.83Å; Q155-S159 VanDerWaalsContact O-N 3.11Å
156	L	93.3	Very high	91.8	Very high	13 Å²	13	74.3 Å²	74.3	7%	0.068	36%	0.36	C	S	.	.	H	α-helix	trans	-59.5	-49.4	173	-176.9	162.4	0	0	0	111	G152 L153 K158 S159 M160 F182 K185 V186 I189	G152-L156 WeakPolarHBondContact O-CB 3.39Å; G152-L156 PolarHBondContact O-N 3.29Å; L153-L156 WeakPolarHBondContact O-CB 3.5Å; L153-L156 PolarHBondContact O-N 3.45Å; L156-K158 PolarHBondContact O-N 3.42Å; L156-S159 PolarHBondContact O-N 2.72Å; L156-S159 PolarHBondContact O-OG 2.9Å; L156-M160 HydrophobicContact CD2-CG 4.18Å; L156-M160 HydrophobicContact CD2-SD 4.38Å; L156-M160 WeakPolarHBondContact O-CG 3.02Å; L156-M160 PolarHBondContact O-N 2.86Å; L156-F182 HydrophobicContact CD2-CD2 3.7Å; L156-F182 HydrophobicContact CD2-CE2 3.62Å; L156-K185 HydrophobicContact CD1-CB 3.54Å; L156-K185 HydrophobicContact CG-CB 4.11Å; L156-K185 HydrophobicContact CG-CD 4.43Å; L156-V186 HydrophobicContact CD1-CG2 3.68Å; L156-V186 HydrophobicContact CD2-CG2 4.46Å; L156-I189 HydrophobicContact CD1-CD1 4.02Å
157	F	94.6	Very high	91.6	Very high	10 Å²	10	76.4 Å²	76.4	4%	0.044	38%	0.381	C	S	.	.	H	α-helix	trans	-55.9	-41.5	177.5	-64.6	-19.7	0	0	0	112.1	V145 L153 T154 S159 M160 K163 W172 F174 F182	V145-F157 HydrophobicContact CB-CE1 4.12Å; V145-F157 HydrophobicContact CB-CZ 3.95Å; V145-F157 HydrophobicContact CG1-CE1 3.91Å; V145-F157 HydrophobicContact CG1-CZ 3.63Å; V145-F157 HydrophobicContact CG2-CE1 4.29Å; L153-F157 HydrophobicContact CD1-CD1 4.31Å; L153-F157 HydrophobicContact CD1-CE1 3.61Å; L153-F157 HydrophobicContact CD1-CZ 3.87Å; L153-F157 HydrophobicContact CD2-CE1 4.17Å; L153-F157 HydrophobicContact CD2-CE2 4.05Å; L153-F157 HydrophobicContact CD2-CZ 3.53Å; L153-F157 HydrophobicContact CG-CD1 4.27Å; L153-F157 HydrophobicContact CG-CD2 4.48Å; L153-F157 HydrophobicContact CG-CE1 3.59Å; L153-F157 HydrophobicContact CG-CE2 3.83Å; L153-F157 HydrophobicContact CG-CZ 3.36Å; L153-F157 WeakPolarHBondContact O-CD1 3.38Å; L153-F157 WeakPolarHBondContact O-CG 3.38Å; L153-F157 PolarHBondContact O-N 2.98Å; T154-F157 PolarHBondContact O-N 3.01Å; F157-S159 VanDerWaalsContact C-N 3.29Å; F157-S159 PolarHBondContact O-N 3.47Å; F157-M160 PolarHBondContact O-N 2.88Å; F157-K163 VanDerWaalsContact O-CD 3.26Å; F157-K163 WeakPolarHBondContact O-CD 3.36Å; F157-W172 HydrophobicContact CB-CD2 3.96Å; F157-W172 HydrophobicContact CB-CE3 3.97Å; F157-W172 HydrophobicContact CB-CG 4.39Å; F157-W172 HydrophobicContact CB-CZ3 4.34Å; F157-W172 HydrophobicContact CD2-CB 4.06Å; F157-W172 AromaticContact CD2-CD1 3.39Å; F157-W172 AromaticContact CD2-CD2 3.76Å; F157-W172 HydrophobicContact CD2-CD2 3.76Å; F157-W172 AromaticContact CD2-CE2 3.86Å; F157-W172 AromaticContact CD2-CG 3.46Å; F157-W172 HydrophobicContact CD2-CG 3.46Å; F157-W172 VanDerWaalsContact CD2-CG 3.46Å; F157-W172 AromaticContact CD2-NE1 3.62Å; F157-W172 HydrophobicContact CE2-CB 4.12Å; F157-W172 AromaticContact CE2-CD1 3.48Å; F157-W172 VanDerWaalsContact CE2-CD1 3.48Å; F157-W172 AromaticContact CE2-CG 3.79Å; F157-W172 HydrophobicContact CE2-CG 3.79Å; F157-W172 HydrophobicContact CG-CB 4.38Å; F157-W172 HydrophobicContact CG-CD2 4.13Å; F157-W172 HydrophobicContact CG-CG 4.05Å; F157-W172 HydrophobicContact CZ-CB 4.47Å; F157-F174 HydrophobicContact CB-CE1 4.4Å; F157-F174 HydrophobicContact CB-CZ 3.87Å; F157-F174 HydrophobicContact CD1-CE1 4.46Å; F157-F174 AromaticContact CD1-CE2 3.86Å; F157-F174 HydrophobicContact CD1-CE2 3.86Å; F157-F174 AromaticContact CD1-CZ 3.42Å; F157-F174 HydrophobicContact CD1-CZ 3.42Å; F157-F174 VanDerWaalsContact CD1-CZ 3.42Å; F157-F174 HydrophobicContact CE1-CE2 4.05Å; F157-F174 HydrophobicContact CE1-CZ 4.08Å; F157-F174 AromaticContact CG-CZ 3.78Å; F157-F174 HydrophobicContact CG-CZ 3.78Å; F157-F182 HydrophobicContact CD1-CE2 4.1Å; F157-F182 AromaticContact CE1-CE2 3.73Å; F157-F182 HydrophobicContact CE1-CE2 3.73Å; F157-F182 HydrophobicContact CE1-CZ 4.13Å
158	K	92.3	Very high	91.4	Very high	130 Å²	130	82.6 Å²	82.6	57%	0.565	40%	0.402	S	S	*	.	H	α-helix	trans	-67	-27.3	177.9	-73.4	175	179.6	-177.8	0	113.4	T154 Q155 L156 K163	T154-K158 WeakPolarHBondContact O-CG 3.34Å; T154-K158 PolarHBondContact O-N 2.83Å; T154-K158 VanDerWaalsContact O-N 3.09Å; Q155-K158 PolarHBondContact O-N 3.33Å; L156-K158 PolarHBondContact O-N 3.42Å; K158-K163 VanDerWaalsContact O-CE 3.29Å; K158-K163 WeakPolarHBondContact O-CE 3.44Å; K158-K163 PolarHBondContact O-NZ 3.15Å
159	S	93.2	Very high	91.3	Very high	68 Å²	68	75.2 Å²	75.2	48%	0.476	38%	0.381	S	S	.	.	H	α-helix	trans	-85.1	-8.5	179.2	74.3	0	0	0	0	114.2	Q155 L156 F157	Q155-S159 PolarHBondContact O-N 2.83Å; Q155-S159 VanDerWaalsContact O-N 3.11Å; L156-S159 PolarHBondContact O-N 2.72Å; L156-S159 PolarHBondContact O-OG 2.9Å; F157-S159 VanDerWaalsContact C-N 3.29Å; F157-S159 PolarHBondContact O-N 3.47Å
160	M	92.9	Very high	91.5	Very high	2 Å²	2	75.3 Å²	75.3	1%	0.01	38%	0.38	C	S	.	.			trans	-80.1	140.8	172.7	-57.2	-73.8	-72.8	0	0	110.3	L156 F157 K163 F174 E178 F182 K185	L156-M160 HydrophobicContact CD2-CG 4.18Å; L156-M160 HydrophobicContact CD2-SD 4.38Å; L156-M160 WeakPolarHBondContact O-CG 3.02Å; L156-M160 PolarHBondContact O-N 2.86Å; F157-M160 PolarHBondContact O-N 2.88Å; M160-K163 HydrophobicContact CB-CB 4.48Å; M160-K163 WeakPolarHBondContact O-CD 3.25Å; M160-K163 WeakPolarHBondContact O-CG 3.45Å; M160-K163 PolarHBondContact O-NZ 3.33Å; M160-F174 HydrophobicContact CB-CD1 3.6Å; M160-F174 HydrophobicContact CB-CE1 3.61Å; M160-F174 HydrophobicContact CE-CD1 4.3Å; M160-F174 HydrophobicContact CG-CD1 3.93Å; M160-F174 HydrophobicContact CG-CE1 3.77Å; M160-E178 HydrophobicContact CE-CB 3.74Å; M160-E178 WeakPolarHBondContact CE-OE2 3.35Å; M160-F182 HydrophobicContact CE-CB 3.79Å; M160-F182 HydrophobicContact CE-CD2 4.2Å; M160-F182 HydrophobicContact CE-CG 4.5Å; M160-K185 HydrophobicContact SD-CD 4.12Å
161	D	91.2	Very high	91.5	Very high	143 Å²	143	78.5 Å²	78.5	77%	0.765	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-48.1	-173.9	-69.9	-28.2	0	0	0	111.3	K163	D161-K163 PolarHBondContact O-N 3.18Å
162	S	93.4	Very high	91.8	Very high	26 Å²	26	76.9 Å²	76.9	18%	0.182	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	9.6	-178.9	76.1	0	0	0	0	115.5	R142 Q164 D175 E178	R142-S162 PolarHBondContact NH1-O 3.48Å; R142-S162 PolarHBondContact NH2-O 2.98Å; S162-Q164 PolarHBondContact O-N 2.97Å; S162-D175 PolarHBondContact OG-N 3.36Å; S162-E178 VanDerWaalsContact CB-OE1 3.24Å; S162-E178 WeakPolarHBondContact CB-OE1 3.47Å; S162-E178 WeakPolarHBondContact CB-OE2 3.47Å; S162-E178 PolarHBondContact N-OE1 3.33Å; S162-E178 PolarHBondContact N-OE2 3.12Å; S162-E178 PolarHBondContact OG-OE1 3.03Å; S162-E178 PolarHBondContact OG-OE2 2.79Å
163	K	94.2	Very high	92.1	Very high	82 Å²	82	76.7 Å²	76.7	36%	0.357	37%	0.372	S	S	.	.			trans	-56.5	134	-173.2	68.3	-176.1	163.2	-84.3	0	112.2	F157 K158 M160 D161 W172 F174	F157-K163 VanDerWaalsContact O-CD 3.26Å; F157-K163 WeakPolarHBondContact O-CD 3.36Å; K158-K163 VanDerWaalsContact O-CE 3.29Å; K158-K163 WeakPolarHBondContact O-CE 3.44Å; K158-K163 PolarHBondContact O-NZ 3.15Å; M160-K163 HydrophobicContact CB-CB 4.48Å; M160-K163 WeakPolarHBondContact O-CD 3.25Å; M160-K163 WeakPolarHBondContact O-CG 3.45Å; M160-K163 PolarHBondContact O-NZ 3.33Å; D161-K163 PolarHBondContact O-N 3.18Å; K163-W172 HydrophobicContact CB-CE3 4.34Å; K163-W172 HydrophobicContact CB-CZ3 4.26Å; K163-W172 HydrophobicContact CD-CZ3 4.18Å; K163-W172 HydrophobicContact CG-CZ3 4.45Å; K163-F174 HydrophobicContact CB-CD1 3.99Å; K163-F174 HydrophobicContact CB-CE1 3.6Å
164	Q	94.1	Very high	92.4	Very high	111 Å²	111	76.6 Å²	76.6	52%	0.519	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.8	167.5	-68.5	177.2	-4.7	0	0	109	R142 S162 W172 S173	R142-Q164 VanDerWaalsContact NH2-CG 3.33Å; S162-Q164 PolarHBondContact O-N 2.97Å; Q164-W172 CarbonylContact O-C 3.57Å; Q164-W172 WeakPolarHBondContact O-CA 3.43Å; Q164-S173 PolarHBondContact N-O 3.32Å; Q164-S173 PolarHBondContact O-N 2.97Å
165	Y	93.8	Very high	92.6	Very high	115 Å²	115	77.9 Å²	77.9	45%	0.451	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121	176.9	-179.2	-110.9	0	0	0	109.8	R170 R171 W172	Y165-R170 WeakPolarHBondContact OH-CA 3.19Å; Y165-R170 WeakPolarHBondContact OH-CB 3.34Å; Y165-R171 WeakPolarHBondContact CA-O 3.42Å; Y165-R171 WeakPolarHBondContact CD2-O 3.42Å; Y165-W172 AromaticContact CD2-CD1 3.67Å; Y165-W172 AromaticContact CD2-CD2 3.7Å; Y165-W172 HydrophobicContact CD2-CD2 3.7Å; Y165-W172 AromaticContact CD2-CE2 3.37Å; Y165-W172 HydrophobicContact CD2-CE3 4.41Å; Y165-W172 AromaticContact CD2-CG 3.89Å; Y165-W172 HydrophobicContact CD2-CG 3.89Å; Y165-W172 AromaticContact CD2-CZ2 3.85Å; Y165-W172 HydrophobicContact CD2-CZ2 3.85Å; Y165-W172 AromaticContact CD2-NE1 3.34Å; Y165-W172 VanDerWaalsContact CD2-NE1 3.34Å; Y165-W172 AromaticContact CE2-CD1 3.94Å; Y165-W172 AromaticContact CE2-CE2 3.99Å; Y165-W172 HydrophobicContact CE2-CZ2 4.48Å; Y165-W172 AromaticContact CE2-NE1 3.53Å; Y165-W172 HydrophobicContact CG-CD2 4.32Å; Y165-W172 HydrophobicContact CG-CH2 4.42Å; Y165-W172 HydrophobicContact CG-CZ2 4.09Å
166	D	91.5	Very high	92.8	Very high	63 Å²	63	71.7 Å²	71.7	34%	0.337	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	114.8	171.5	175.3	11.7	0	0	0	109.9	Q168 T169 R170 R171	D166-Q168 VanDerWaalsContact C-N 3.3Å; D166-Q168 PolarHBondContact O-N 3.5Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.18Å; D166-Q168 PolarHBondContact OD1-N 3.27Å; D166-T169 WeakPolarHBondContact CB-OG1 3.46Å; D166-T169 VanDerWaalsContact CG-OG1 3.24Å; D166-T169 WeakPolarHBondContact OD2-CB 3.27Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.37Å; D166-T169 PolarHBondContact OD2-N 2.86Å; D166-T169 PolarHBondContact OD2-OG1 2.85Å; D166-R170 WeakPolarHBondContact O-CA 3.48Å; D166-R170 PolarHBondContact O-N 2.97Å; D166-R171 PolarHBondContact N-O 3.5Å; D166-R171 PolarHBondContact O-N 3.4Å
167	S	89.8	Confident	92.8	Very high	92 Å²	92	71.7 Å²	71.7	64%	0.643	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-26	179.2	66.3	0	0	0	0	114.4
168	Q	88	Confident	92.9	Very high	173 Å²	173	71.6 Å²	71.6	81%	0.808	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-52.1	-178.3	-64.1	-172.4	3.7	0	0	110.8	D166 R170	D166-Q168 VanDerWaalsContact C-N 3.3Å; D166-Q168 PolarHBondContact O-N 3.5Å; D166-Q168 WeakPolarHBondContact OD1-CB 3.18Å; D166-Q168 PolarHBondContact OD1-N 3.27Å; Q168-R170 VanDerWaalsContact C-N 3.33Å
169	T	86.8	Confident	93.1	Very high	66 Å²	66	65.5 Å²	65.5	41%	0.405	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.3	178	61.2	0	0	0	0	112.9	D166 R171	D166-T169 WeakPolarHBondContact CB-OG1 3.46Å; D166-T169 VanDerWaalsContact CG-OG1 3.24Å; D166-T169 WeakPolarHBondContact OD2-CB 3.27Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.37Å; D166-T169 PolarHBondContact OD2-N 2.86Å; D166-T169 PolarHBondContact OD2-OG1 2.85Å; T169-R171 VanDerWaalsContact C-N 3.3Å; T169-R171 WeakPolarHBondContact O-CG 3.41Å
170	R	89.9	Confident	93.2	Very high	196 Å²	196	66.5 Å²	66.5	74%	0.74	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	35.5	-173.2	-58.9	-178.4	175.1	-177.5	-1.4	113.1	Y165 D166 Q168	Y165-R170 WeakPolarHBondContact OH-CA 3.19Å; Y165-R170 WeakPolarHBondContact OH-CB 3.34Å; D166-R170 WeakPolarHBondContact O-CA 3.48Å; D166-R170 PolarHBondContact O-N 2.97Å; Q168-R170 VanDerWaalsContact C-N 3.33Å
171	R	90.5	Very high	93.2	Very high	99 Å²	99	70.7 Å²	70.7	37%	0.374	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	151.9	-175.5	-60.2	-174	-170.8	162.3	2.5	112.1	E144 H146 Y165 D166 T169	E144-R171 HydrophobicContact CG-CB 3.89Å; E144-R171 VanDerWaalsContact OE1-CB 3.29Å; E144-R171 WeakPolarHBondContact OE1-CB 3.13Å; E144-R171 WeakPolarHBondContact OE1-CD 3.21Å; E144-R171 WeakPolarHBondContact OE2-CD 3.36Å; E144-R171 IonicContact OE2-CZ 2.94Å; E144-R171 IonicContact OE2-NE 3.2Å; E144-R171 IonicContact OE2-NH1 3.68Å; E144-R171 PolarHBondContact OE2-NH1 2.82Å; H146-R171 PolarHBondContact CE1-NH1 2.64Å; Y165-R171 WeakPolarHBondContact CA-O 3.42Å; Y165-R171 WeakPolarHBondContact CD2-O 3.42Å; D166-R171 PolarHBondContact N-O 3.5Å; D166-R171 PolarHBondContact O-N 3.4Å; T169-R171 VanDerWaalsContact C-N 3.3Å; T169-R171 WeakPolarHBondContact O-CG 3.41Å
172	W	95.7	Very high	93.5	Very high	49 Å²	49	63.9 Å²	63.9	19%	0.186	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.1	175.8	-68.3	84.4	0	0	0	109.3	E144 V145 F157 K163 Q164 Y165 F174	E144-W172 WeakPolarHBondContact CA-O 3.2Å; V145-W172 PolarHBondContact N-O 3.37Å; F157-W172 HydrophobicContact CB-CD2 3.96Å; F157-W172 HydrophobicContact CB-CE3 3.97Å; F157-W172 HydrophobicContact CB-CG 4.39Å; F157-W172 HydrophobicContact CB-CZ3 4.34Å; F157-W172 HydrophobicContact CD2-CB 4.06Å; F157-W172 AromaticContact CD2-CD1 3.39Å; F157-W172 AromaticContact CD2-CD2 3.76Å; F157-W172 HydrophobicContact CD2-CD2 3.76Å; F157-W172 AromaticContact CD2-CE2 3.86Å; F157-W172 AromaticContact CD2-CG 3.46Å; F157-W172 HydrophobicContact CD2-CG 3.46Å; F157-W172 VanDerWaalsContact CD2-CG 3.46Å; F157-W172 AromaticContact CD2-NE1 3.62Å; F157-W172 HydrophobicContact CE2-CB 4.12Å; F157-W172 AromaticContact CE2-CD1 3.48Å; F157-W172 VanDerWaalsContact CE2-CD1 3.48Å; F157-W172 AromaticContact CE2-CG 3.79Å; F157-W172 HydrophobicContact CE2-CG 3.79Å; F157-W172 HydrophobicContact CG-CB 4.38Å; F157-W172 HydrophobicContact CG-CD2 4.13Å; F157-W172 HydrophobicContact CG-CG 4.05Å; F157-W172 HydrophobicContact CZ-CB 4.47Å; K163-W172 HydrophobicContact CB-CE3 4.34Å; K163-W172 HydrophobicContact CB-CZ3 4.26Å; K163-W172 HydrophobicContact CD-CZ3 4.18Å; K163-W172 HydrophobicContact CG-CZ3 4.45Å; Q164-W172 CarbonylContact O-C 3.57Å; Q164-W172 WeakPolarHBondContact O-CA 3.43Å; Y165-W172 AromaticContact CD2-CD1 3.67Å; Y165-W172 AromaticContact CD2-CD2 3.7Å; Y165-W172 HydrophobicContact CD2-CD2 3.7Å; Y165-W172 AromaticContact CD2-CE2 3.37Å; Y165-W172 HydrophobicContact CD2-CE3 4.41Å; Y165-W172 AromaticContact CD2-CG 3.89Å; Y165-W172 HydrophobicContact CD2-CG 3.89Å; Y165-W172 AromaticContact CD2-CZ2 3.85Å; Y165-W172 HydrophobicContact CD2-CZ2 3.85Å; Y165-W172 AromaticContact CD2-NE1 3.34Å; Y165-W172 VanDerWaalsContact CD2-NE1 3.34Å; Y165-W172 AromaticContact CE2-CD1 3.94Å; Y165-W172 AromaticContact CE2-CE2 3.99Å; Y165-W172 HydrophobicContact CE2-CZ2 4.48Å; Y165-W172 AromaticContact CE2-NE1 3.53Å; Y165-W172 HydrophobicContact CG-CD2 4.32Å; Y165-W172 HydrophobicContact CG-CH2 4.42Å; Y165-W172 HydrophobicContact CG-CZ2 4.09Å; W172-F174 HydrophobicContact CB-CE2 3.88Å; W172-F174 HydrophobicContact CB-CZ 3.87Å; W172-F174 HydrophobicContact CE3-CZ 4.46Å
173	S	96.3	Very high	93.6	Very high	15 Å²	15	63.2 Å²	63.2	11%	0.105	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	154.7	171.1	71.8	0	0	0	0	111.5	R142 F143 Q164	R142-S173 PolarHBondContact NE-OG 3Å; R142-S173 PolarHBondContact NH2-O 2.82Å; R142-S173 PolarHBondContact NH2-OG 3.12Å; R142-S173 VanDerWaalsContact NH2-OG 3.14Å; F143-S173 CarbonylContact O-C 3.19Å; F143-S173 WeakPolarHBondContact O-CA 3.42Å; F143-S173 WeakPolarHBondContact O-CB 3.46Å; Q164-S173 PolarHBondContact N-O 3.32Å; Q164-S173 PolarHBondContact O-N 2.97Å
174	F	96.8	Very high	93.6	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	156.5	-179.1	-51	-85.8	0	0	0	109.2	R142 F143 V145 F157 M160 K163 W172 F182	R142-F174 CarbonylContact C-O 3.53Å; R142-F174 WeakPolarHBondContact CA-O 3.2Å; R142-F174 WeakPolarHBondContact CB-O 3.17Å; F143-F174 HydrophobicContact CD1-CB 4.28Å; F143-F174 HydrophobicContact CE1-CB 3.63Å; F143-F174 HydrophobicContact CE2-CB 4.49Å; F143-F174 AromaticContact CE2-CD2 3.99Å; F143-F174 HydrophobicContact CE2-CD2 3.99Å; F143-F174 HydrophobicContact CZ-CB 3.74Å; F143-F174 AromaticContact CZ-CD2 3.94Å; F143-F174 HydrophobicContact CZ-CD2 3.94Å; F143-F174 HydrophobicContact CZ-CG 4.17Å; F143-F174 PolarHBondContact N-O 2.74Å; F143-F174 PolarHBondContact O-N 2.99Å; V145-F174 HydrophobicContact CB-CE2 4.47Å; V145-F174 HydrophobicContact CG2-CD2 3.99Å; V145-F174 HydrophobicContact CG2-CE2 3.75Å; F157-F174 HydrophobicContact CB-CE1 4.4Å; F157-F174 HydrophobicContact CB-CZ 3.87Å; F157-F174 HydrophobicContact CD1-CE1 4.46Å; F157-F174 AromaticContact CD1-CE2 3.86Å; F157-F174 HydrophobicContact CD1-CE2 3.86Å; F157-F174 AromaticContact CD1-CZ 3.42Å; F157-F174 HydrophobicContact CD1-CZ 3.42Å; F157-F174 VanDerWaalsContact CD1-CZ 3.42Å; F157-F174 HydrophobicContact CE1-CE2 4.05Å; F157-F174 HydrophobicContact CE1-CZ 4.08Å; F157-F174 AromaticContact CG-CZ 3.78Å; F157-F174 HydrophobicContact CG-CZ 3.78Å; M160-F174 HydrophobicContact CB-CD1 3.6Å; M160-F174 HydrophobicContact CB-CE1 3.61Å; M160-F174 HydrophobicContact CE-CD1 4.3Å; M160-F174 HydrophobicContact CG-CD1 3.93Å; M160-F174 HydrophobicContact CG-CE1 3.77Å; K163-F174 HydrophobicContact CB-CD1 3.99Å; K163-F174 HydrophobicContact CB-CE1 3.6Å; W172-F174 HydrophobicContact CB-CE2 3.88Å; W172-F174 HydrophobicContact CB-CZ 3.87Å; W172-F174 HydrophobicContact CE3-CZ 4.46Å; F174-F182 HydrophobicContact CE2-CE2 4.4Å
175	D	95.4	Very high	93.6	Very high	51 Å²	51	64 Å²	64	27%	0.273	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	141.5	173.3	-167	-86.7	0	0	0	110.7	F143 S162 S177 E178	F143-D175 WeakPolarHBondContact CE1-O 3.13Å; S162-D175 PolarHBondContact OG-N 3.36Å; D175-S177 PolarHBondContact O-N 2.86Å; D175-S177 VanDerWaalsContact OD1-CB 3.23Å; D175-S177 WeakPolarHBondContact OD1-CB 3.37Å; D175-S177 PolarHBondContact OD1-N 3.22Å; D175-S177 PolarHBondContact OD1-OG 3.49Å; D175-E178 PolarHBondContact O-N 2.78Å
176	L	95.1	Very high	93.7	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-65.8	-23.7	-176	-166.5	62.2	0	0	0	112.6	L137 N141 F143 E178 Y179 L197 F205 R208 I209	L137-L176 HydrophobicContact CD1-CD1 3.99Å; L137-L176 HydrophobicContact CD1-CD2 4.07Å; N141-L176 WeakPolarHBondContact O-CB 3.33Å; N141-L176 PolarHBondContact O-N 2.96Å; F143-L176 HydrophobicContact CB-CD1 4.19Å; F143-L176 HydrophobicContact CD1-CD1 4.2Å; L176-E178 VanDerWaalsContact C-N 3.26Å; L176-E178 PolarHBondContact O-N 3.48Å; L176-Y179 VanDerWaalsContact O-CB 3.24Å; L176-Y179 WeakPolarHBondContact O-CB 3.34Å; L176-Y179 PolarHBondContact O-N 3.46Å; L176-L197 HydrophobicContact CD1-CD1 4Å; L176-F205 HydrophobicContact CD2-CB 3.7Å; L176-F205 HydrophobicContact CD2-CD1 4.17Å; L176-F205 HydrophobicContact CD2-CG 4.1Å; L176-R208 HydrophobicContact CD2-CB 4.08Å; L176-I209 HydrophobicContact CD1-CD1 4.47Å; L176-I209 HydrophobicContact CD1-CG1 3.99Å; L176-I209 HydrophobicContact CD2-CG1 4.05Å; L176-I209 HydrophobicContact CG-CG1 3.65Å
177	S	94.4	Very high	93.8	Very high	14 Å²	14	61.5 Å²	61.5	10%	0.098	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-65.3	-25.8	172.3	62.9	0	0	0	0	113.4	D175 Y179 M211	D175-S177 PolarHBondContact O-N 2.86Å; D175-S177 VanDerWaalsContact OD1-CB 3.23Å; D175-S177 WeakPolarHBondContact OD1-CB 3.37Å; D175-S177 PolarHBondContact OD1-N 3.22Å; D175-S177 PolarHBondContact OD1-OG 3.49Å; S177-Y179 VanDerWaalsContact C-N 3.32Å; S177-M211 WeakPolarHBondContact CB-O 3.38Å
178	E	95	Very high	93.9	Very high	8 Å²	8	63 Å²	63	4%	0.037	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-86.2	-1.6	178.1	-65.5	-177.8	-178.3	0	0	113	M160 S162 D175 L176 N180 E181 F182 P213	M160-E178 HydrophobicContact CE-CB 3.74Å; M160-E178 WeakPolarHBondContact CE-OE2 3.35Å; S162-E178 VanDerWaalsContact CB-OE1 3.24Å; S162-E178 WeakPolarHBondContact CB-OE1 3.47Å; S162-E178 WeakPolarHBondContact CB-OE2 3.47Å; S162-E178 PolarHBondContact N-OE1 3.33Å; S162-E178 PolarHBondContact N-OE2 3.12Å; S162-E178 PolarHBondContact OG-OE1 3.03Å; S162-E178 PolarHBondContact OG-OE2 2.79Å; D175-E178 PolarHBondContact O-N 2.78Å; L176-E178 VanDerWaalsContact C-N 3.26Å; L176-E178 PolarHBondContact O-N 3.48Å; E178-N180 PolarHBondContact O-N 2.9Å; E178-E181 PolarHBondContact O-N 2.88Å; E178-F182 WeakPolarHBondContact O-CB 3.46Å; E178-F182 PolarHBondContact O-N 2.83Å; E178-P213 HydrophobicContact CG-CB 4.28Å; E178-P213 HydrophobicContact CG-CG 4.05Å
179	Y	96.5	Very high	94	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-57.3	-46.4	-173.6	175.4	-105.1	0	0	0	113.5	C135 F143 L176 S177 E181 F182 V183 E196 L197 I202 I209	C135-Y179 HydrophobicContact CB-CE2 4.3Å; F143-Y179 HydrophobicContact CD1-CD2 4.21Å; F143-Y179 HydrophobicContact CD2-CD2 4.21Å; F143-Y179 HydrophobicContact CE1-CD2 4.16Å; F143-Y179 HydrophobicContact CE2-CD2 4.18Å; F143-Y179 HydrophobicContact CG-CD2 4.23Å; F143-Y179 HydrophobicContact CZ-CD2 4.15Å; L176-Y179 VanDerWaalsContact O-CB 3.24Å; L176-Y179 WeakPolarHBondContact O-CB 3.34Å; L176-Y179 PolarHBondContact O-N 3.46Å; S177-Y179 VanDerWaalsContact C-N 3.32Å; Y179-E181 VanDerWaalsContact C-N 3.31Å; Y179-E181 PolarHBondContact O-N 2.94Å; Y179-F182 WeakPolarHBondContact O-CB 3.04Å; Y179-F182 PolarHBondContact O-N 2.7Å; Y179-V183 HydrophobicContact CD1-CG2 4.37Å; Y179-V183 HydrophobicContact CD2-CG2 4.19Å; Y179-V183 HydrophobicContact CE1-CG2 3.86Å; Y179-V183 HydrophobicContact CE2-CG2 3.64Å; Y179-V183 VanDerWaalsContact CZ-CG2 3.46Å; Y179-V183 WeakPolarHBondContact O-CG2 3.24Å; Y179-V183 PolarHBondContact O-N 2.93Å; Y179-E196 WeakPolarHBondContact OH-CB 3.39Å; Y179-L197 HydrophobicContact CD1-CD1 4.33Å; Y179-L197 HydrophobicContact CD2-CD1 3.66Å; Y179-L197 HydrophobicContact CD2-CG 4.17Å; Y179-L197 HydrophobicContact CE1-CD1 4.2Å; Y179-L197 HydrophobicContact CE2-CB 4.16Å; Y179-L197 HydrophobicContact CE2-CD1 3.5Å; Y179-L197 VanDerWaalsContact CE2-CD1 3.5Å; Y179-L197 HydrophobicContact CE2-CG 3.51Å; Y179-L197 HydrophobicContact CG-CD1 4.08Å; Y179-L197 PolarHBondContact OH-N 2.86Å; Y179-I202 HydrophobicContact CE1-CD1 4.24Å; Y179-I202 HydrophobicContact CE1-CG1 4.41Å; Y179-I209 HydrophobicContact CD1-CG2 4.19Å
180	N	95.5	Very high	94	Very high	89 Å²	89	60.5 Å²	60.5	48%	0.476	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-37.5	-179.3	-69.8	-41.4	0	0	0	112.1	E178 K184 I209	E178-N180 PolarHBondContact O-N 2.9Å; N180-K184 WeakPolarHBondContact O-CB 3.4Å; N180-K184 PolarHBondContact O-N 3.3Å; N180-K184 VanDerWaalsContact O-N 3.13Å; N180-I209 VanDerWaalsContact ND2-CG2 3.33Å; N180-I209 WeakPolarHBondContact ND2-CG2 3.24Å; N180-I209 PolarHBondContact ND2-O 3.25Å
181	E	94.3	Very high	94	Very high	90 Å²	90	56.9 Å²	56.9	42%	0.421	27%	0.273	S	S	.	.	H	α-helix	trans	-67.4	-43.6	175.7	-176.7	177.8	170.4	0	0	111	E178 Y179 K184 K185	E178-E181 PolarHBondContact O-N 2.88Å; Y179-E181 VanDerWaalsContact C-N 3.31Å; Y179-E181 PolarHBondContact O-N 2.94Å; E181-K184 PolarHBondContact O-N 3.38Å; E181-K185 HydrophobicContact CG-CD 4.26Å; E181-K185 WeakPolarHBondContact O-CG 3.27Å; E181-K185 PolarHBondContact O-N 3.41Å; E181-K185 WeakPolarHBondContact OE1-CE 3.36Å; E181-K185 IonicContact OE1-NZ 2.64Å; E181-K185 PolarHBondContact OE1-NZ 3.36Å
182	F	95.7	Very high	94	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.7	-53.2	174.7	176.5	-95.7	0	0	0	111.8	C135 F143 V145 L156 F157 M160 F174 E178 Y179 K184 K185 V186 L194	C135-F182 VanDerWaalsContact SG-CE1 3.54Å; F143-F182 HydrophobicContact CE2-CB 4.42Å; F143-F182 AromaticContact CE2-CD1 3.74Å; F143-F182 HydrophobicContact CE2-CD1 3.74Å; F143-F182 HydrophobicContact CE2-CD2 4.42Å; F143-F182 HydrophobicContact CE2-CE1 4.12Å; F143-F182 AromaticContact CE2-CG 3.91Å; F143-F182 HydrophobicContact CE2-CG 3.91Å; F143-F182 HydrophobicContact CZ-CB 3.76Å; F143-F182 AromaticContact CZ-CD1 3.96Å; F143-F182 HydrophobicContact CZ-CD1 3.96Å; F143-F182 HydrophobicContact CZ-CD2 4.28Å; F143-F182 AromaticContact CZ-CG 3.71Å; F143-F182 HydrophobicContact CZ-CG 3.71Å; V145-F182 HydrophobicContact CB-CZ 4.4Å; V145-F182 HydrophobicContact CG1-CZ 3.97Å; V145-F182 HydrophobicContact CG2-CE1 4.02Å; V145-F182 HydrophobicContact CG2-CE2 3.98Å; V145-F182 HydrophobicContact CG2-CZ 3.53Å; L156-F182 HydrophobicContact CD2-CD2 3.7Å; L156-F182 HydrophobicContact CD2-CE2 3.62Å; F157-F182 HydrophobicContact CD1-CE2 4.1Å; F157-F182 AromaticContact CE1-CE2 3.73Å; F157-F182 HydrophobicContact CE1-CE2 3.73Å; F157-F182 HydrophobicContact CE1-CZ 4.13Å; M160-F182 HydrophobicContact CE-CB 3.79Å; M160-F182 HydrophobicContact CE-CD2 4.2Å; M160-F182 HydrophobicContact CE-CG 4.5Å; F174-F182 HydrophobicContact CE2-CE2 4.4Å; E178-F182 WeakPolarHBondContact O-CB 3.46Å; E178-F182 PolarHBondContact O-N 2.83Å; Y179-F182 WeakPolarHBondContact O-CB 3.04Å; Y179-F182 PolarHBondContact O-N 2.7Å; F182-K184 VanDerWaalsContact C-N 3.28Å; F182-K184 PolarHBondContact O-N 3.05Å; F182-K185 PolarHBondContact O-N 3.48Å; F182-K185 VanDerWaalsContact O-N 3.13Å; F182-V186 HydrophobicContact CD1-CG2 4.23Å; F182-V186 HydrophobicContact CD2-CG2 4.25Å; F182-V186 HydrophobicContact CE1-CG2 3.71Å; F182-V186 HydrophobicContact CE2-CG2 3.73Å; F182-V186 HydrophobicContact CG-CG2 4.47Å; F182-V186 HydrophobicContact CZ-CG2 3.44Å; F182-V186 VanDerWaalsContact CZ-CG2 3.44Å; F182-V186 WeakPolarHBondContact O-CG2 3.46Å; F182-V186 PolarHBondContact O-N 3.49Å; F182-L194 HydrophobicContact CE1-CD1 4.3Å
183	V	96.1	Very high	93.9	Very high	12 Å²	12	54.9 Å²	54.9	7%	0.073	27%	0.27	C	S	.	.	H	α-helix	trans	-56.8	-43.8	179	171.5	0	0	0	0	110.8	Y179 V186 K187 L194 E196	Y179-V183 HydrophobicContact CD1-CG2 4.37Å; Y179-V183 HydrophobicContact CD2-CG2 4.19Å; Y179-V183 HydrophobicContact CE1-CG2 3.86Å; Y179-V183 HydrophobicContact CE2-CG2 3.64Å; Y179-V183 VanDerWaalsContact CZ-CG2 3.46Å; Y179-V183 WeakPolarHBondContact O-CG2 3.24Å; Y179-V183 PolarHBondContact O-N 2.93Å; V183-V186 PolarHBondContact O-N 3.21Å; V183-K187 HydrophobicContact CG1-CD 4.05Å; V183-K187 WeakPolarHBondContact O-CB 3.49Å; V183-K187 WeakPolarHBondContact O-CG 3.22Å; V183-K187 PolarHBondContact O-N 3.19Å; V183-L194 HydrophobicContact CB-CD2 4.3Å; V183-L194 HydrophobicContact CG1-CD2 3.97Å; V183-L194 HydrophobicContact CG2-CD2 4.21Å; V183-E196 HydrophobicContact CG1-CG 4.43Å; V183-E196 HydrophobicContact CG2-CG 4.48Å
184	K	94.8	Very high	93.8	Very high	151 Å²	151	55.3 Å²	55.3	66%	0.657	27%	0.271	S	S	*	.	H	α-helix	trans	-62.1	-44.1	177.4	-175	-178.7	178.6	-177.3	0	112.1	N180 E181 F182 N188	N180-K184 WeakPolarHBondContact O-CB 3.4Å; N180-K184 PolarHBondContact O-N 3.3Å; N180-K184 VanDerWaalsContact O-N 3.13Å; E181-K184 PolarHBondContact O-N 3.38Å; F182-K184 VanDerWaalsContact C-N 3.28Å; F182-K184 PolarHBondContact O-N 3.05Å; K184-N188 PolarHBondContact O-ND2 2.77Å
185	K	94.9	Very high	93.7	Very high	59 Å²	59	59.1 Å²	59.1	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-67.7	-40.6	179.5	-72.2	178.2	-179.2	167.8	0	112.1	L156 M160 E181 F182 N188	L156-K185 HydrophobicContact CD1-CB 3.54Å; L156-K185 HydrophobicContact CG-CB 4.11Å; L156-K185 HydrophobicContact CG-CD 4.43Å; M160-K185 HydrophobicContact SD-CD 4.12Å; E181-K185 HydrophobicContact CG-CD 4.26Å; E181-K185 WeakPolarHBondContact O-CG 3.27Å; E181-K185 PolarHBondContact O-N 3.41Å; E181-K185 WeakPolarHBondContact OE1-CE 3.36Å; E181-K185 IonicContact OE1-NZ 2.64Å; E181-K185 PolarHBondContact OE1-NZ 3.36Å; F182-K185 PolarHBondContact O-N 3.48Å; F182-K185 VanDerWaalsContact O-N 3.13Å; K185-N188 PolarHBondContact O-N 3.15Å
186	V	94.6	Very high	93.7	Very high	2 Å²	2	60 Å²	60	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-68.6	-39.4	179.6	174	0	0	0	0	111.9	L153 L156 F182 V183 N188 I189 L192 L194	L153-V186 HydrophobicContact CD1-CG2 4.05Å; L156-V186 HydrophobicContact CD1-CG2 3.68Å; L156-V186 HydrophobicContact CD2-CG2 4.46Å; F182-V186 HydrophobicContact CD1-CG2 4.23Å; F182-V186 HydrophobicContact CD2-CG2 4.25Å; F182-V186 HydrophobicContact CE1-CG2 3.71Å; F182-V186 HydrophobicContact CE2-CG2 3.73Å; F182-V186 HydrophobicContact CG-CG2 4.47Å; F182-V186 HydrophobicContact CZ-CG2 3.44Å; F182-V186 VanDerWaalsContact CZ-CG2 3.44Å; F182-V186 WeakPolarHBondContact O-CG2 3.46Å; F182-V186 PolarHBondContact O-N 3.49Å; V183-V186 PolarHBondContact O-N 3.21Å; V186-N188 PolarHBondContact O-N 3.42Å; V186-N188 VanDerWaalsContact O-N 3.11Å; V186-I189 PolarHBondContact O-N 2.59Å; V186-L192 HydrophobicContact CG1-CB 4.46Å; V186-L192 HydrophobicContact CG1-CD1 4.14Å; V186-L194 HydrophobicContact CB-CD2 4.25Å; V186-L194 HydrophobicContact CG1-CB 4.13Å; V186-L194 HydrophobicContact CG1-CD1 4.22Å; V186-L194 HydrophobicContact CG1-CD2 4.13Å; V186-L194 HydrophobicContact CG1-CG 4.4Å
187	K	92.9	Very high	93.8	Very high	123 Å²	123	60.3 Å²	60.3	54%	0.535	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.5	177.1	-77.4	179.9	177.6	173.7	0	114.3	V183 I189 E196	V183-K187 HydrophobicContact CG1-CD 4.05Å; V183-K187 WeakPolarHBondContact O-CB 3.49Å; V183-K187 WeakPolarHBondContact O-CG 3.22Å; V183-K187 PolarHBondContact O-N 3.19Å; K187-I189 VanDerWaalsContact C-N 3.3Å; K187-E196 WeakPolarHBondContact CE-OE1 3.2Å; K187-E196 IonicContact NZ-OE1 3.2Å; K187-E196 PolarHBondContact NZ-OE1 2.97Å
188	N	92.3	Very high	93.8	Very high	124 Å²	124	60.4 Å²	60.4	66%	0.663	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	1.7	173.9	-64.5	-25.5	0	0	0	113.3	K184 K185 V186	K184-N188 PolarHBondContact O-ND2 2.77Å; K185-N188 PolarHBondContact O-N 3.15Å; V186-N188 PolarHBondContact O-N 3.42Å; V186-N188 VanDerWaalsContact O-N 3.11Å
189	I	90.5	Very high	93.8	Very high	33 Å²	33	65.7 Å²	65.7	17%	0.169	31%	0.313	C	S	.	.			trans	-108.1	99.5	177.2	-52.8	175.1	0	0	0	107.9	L156 V186 K187 E191 L192	L156-I189 HydrophobicContact CD1-CD1 4.02Å; V186-I189 PolarHBondContact O-N 2.59Å; K187-I189 VanDerWaalsContact C-N 3.3Å; I189-E191 PolarHBondContact O-N 2.72Å; I189-L192 HydrophobicContact CB-CD1 3.88Å; I189-L192 HydrophobicContact CB-CG 4.16Å; I189-L192 HydrophobicContact CD1-CD1 3.89Å; I189-L192 HydrophobicContact CG1-CD1 4.47Å; I189-L192 HydrophobicContact CG2-CD1 3.76Å; I189-L192 HydrophobicContact CG2-CG 3.76Å; I189-L192 PolarHBondContact O-N 3.43Å
190	D	87	Confident	93.7	Very high	152 Å²	152	65.6 Å²	65.6	81%	0.813	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.1	-172.6	-66	-34.3	0	0	0	114.5	L130 L192	L130-D190 WeakPolarHBondContact CD2-O 3.37Å; D190-L192 VanDerWaalsContact C-N 3.3Å; D190-L192 PolarHBondContact O-N 3.03Å
191	E	89.7	Confident	93.8	Very high	121 Å²	121	61.3 Å²	61.3	57%	0.565	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-2.9	-176.1	-63.3	155.4	162.8	0	0	113.6	L130 A131 H150 I189	L130-E191 WeakPolarHBondContact CA-O 3.43Å; L130-E191 VanDerWaalsContact CD2-C 3.47Å; A131-E191 PolarHBondContact N-O 3.43Å; H150-E191 IonicContact CE1-OE2 3.38Å; H150-E191 PolarHBondContact CE1-OE2 3.44Å; H150-E191 IonicContact NE2-OE2 3.74Å; H150-E191 PolarHBondContact NE2-OE2 2.91Å; I189-E191 PolarHBondContact O-N 2.72Å
192	L	91.2	Very high	93.8	Very high	18 Å²	18	59.7 Å²	59.7	9%	0.094	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.6	-172.5	-58.6	-178.5	0	0	0	112.3	A131 V133 H150 L153 V186 I189 D190	A131-L192 HydrophobicContact CB-CD2 3.83Å; A131-L192 WeakPolarHBondContact O-CA 3.49Å; V133-L192 HydrophobicContact CG2-CB 4.24Å; V133-L192 HydrophobicContact CG2-CD1 4.19Å; V133-L192 HydrophobicContact CG2-CD2 4.11Å; V133-L192 HydrophobicContact CG2-CG 4.41Å; H150-L192 HydrophobicContact CB-CD2 4.42Å; L153-L192 HydrophobicContact CB-CD1 4.27Å; L153-L192 HydrophobicContact CD1-CD1 4.01Å; V186-L192 HydrophobicContact CG1-CB 4.46Å; V186-L192 HydrophobicContact CG1-CD1 4.14Å; I189-L192 HydrophobicContact CB-CD1 3.88Å; I189-L192 HydrophobicContact CB-CG 4.16Å; I189-L192 HydrophobicContact CD1-CD1 3.89Å; I189-L192 HydrophobicContact CG1-CD1 4.47Å; I189-L192 HydrophobicContact CG2-CD1 3.76Å; I189-L192 HydrophobicContact CG2-CG 3.76Å; I189-L192 PolarHBondContact O-N 3.43Å; D190-L192 VanDerWaalsContact C-N 3.3Å; D190-L192 PolarHBondContact O-N 3.03Å
193	H	92.4	Very high	93.8	Very high	87 Å²	87	65.3 Å²	65.3	40%	0.403	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	115.4	167.1	177	-95.6	0	0	0	109.2	L130 A131 N132 V133	L130-H193 HydrophobicContact CB-CB 4.04Å; L130-H193 HydrophobicContact CD1-CB 4.31Å; A131-H193 PolarHBondContact O-N 2.94Å; N132-H193 WeakPolarHBondContact CA-O 3.47Å; V133-H193 PolarHBondContact N-O 3.38Å
194	L	94.6	Very high	93.7	Very high	25 Å²	25	67 Å²	67	13%	0.131	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.8	-177.4	179.6	63.5	0	0	0	111.4	V133 F182 V183 V186 E196	V133-L194 HydrophobicContact CB-CD1 4.14Å; V133-L194 HydrophobicContact CG1-CD1 3.87Å; V133-L194 CarbonylContact O-C 3.58Å; V133-L194 WeakPolarHBondContact O-CA 3.09Å; F182-L194 HydrophobicContact CE1-CD1 4.3Å; V183-L194 HydrophobicContact CB-CD2 4.3Å; V183-L194 HydrophobicContact CG1-CD2 3.97Å; V183-L194 HydrophobicContact CG2-CD2 4.21Å; V186-L194 HydrophobicContact CB-CD2 4.25Å; V186-L194 HydrophobicContact CG1-CB 4.13Å; V186-L194 HydrophobicContact CG1-CD1 4.22Å; V186-L194 HydrophobicContact CG1-CD2 4.13Å; V186-L194 HydrophobicContact CG1-CG 4.4Å; L194-E196 HydrophobicContact CD2-CG 3.88Å; L194-E196 HydrophobicContact CG-CG 3.93Å
195	E	94.7	Very high	93.7	Very high	80 Å²	80	60.4 Å²	60.4	37%	0.374	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	101.9	163.3	-69	178.6	-149.1	0	0	109.1	V133 L134 C135	V133-E195 PolarHBondContact O-N 2.85Å; L134-E195 HydrophobicContact CB-CB 4.37Å; L134-E195 HydrophobicContact CD1-CB 3.84Å; C135-E195 PolarHBondContact N-O 3.32Å
196	E	96.4	Very high	93.7	Very high	70 Å²	70	66 Å²	66	33%	0.327	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-68.7	170.5	-178.6	-69.9	-174	-142.6	0	0	113	Y179 V183 K187 L194 R430	Y179-E196 WeakPolarHBondContact OH-CB 3.39Å; V183-E196 HydrophobicContact CG1-CG 4.43Å; V183-E196 HydrophobicContact CG2-CG 4.48Å; K187-E196 WeakPolarHBondContact CE-OE1 3.2Å; K187-E196 IonicContact NZ-OE1 3.2Å; K187-E196 PolarHBondContact NZ-OE1 2.97Å; L194-E196 HydrophobicContact CD2-CG 3.88Å; L194-E196 HydrophobicContact CG-CG 3.93Å; E196-R430 PolarHBondContact O-NH1 2.9Å
197	L	96.7	Very high	93.5	Very high	6 Å²	6	72.9 Å²	72.9	3%	0.031	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-62.5	138.9	167.9	-67.8	176	0	0	0	110.2	C135 L176 Y179 V201 I202	C135-L197 HydrophobicContact CB-CD2 4.11Å; C135-L197 HydrophobicContact CB-CG 4.18Å; L176-L197 HydrophobicContact CD1-CD1 4Å; Y179-L197 HydrophobicContact CD1-CD1 4.33Å; Y179-L197 HydrophobicContact CD2-CD1 3.66Å; Y179-L197 HydrophobicContact CD2-CG 4.17Å; Y179-L197 HydrophobicContact CE1-CD1 4.2Å; Y179-L197 HydrophobicContact CE2-CB 4.16Å; Y179-L197 HydrophobicContact CE2-CD1 3.5Å; Y179-L197 VanDerWaalsContact CE2-CD1 3.5Å; Y179-L197 HydrophobicContact CE2-CG 3.51Å; Y179-L197 HydrophobicContact CG-CD1 4.08Å; Y179-L197 PolarHBondContact OH-N 2.86Å; L197-V201 HydrophobicContact CB-CB 4.35Å; L197-V201 HydrophobicContact CB-CG1 4.3Å; L197-V201 HydrophobicContact CD1-CG1 4.12Å; L197-V201 HydrophobicContact CD2-CG1 4.36Å; L197-I202 HydrophobicContact CB-CD1 4.41Å; L197-I202 HydrophobicContact CB-CG1 4.05Å; L197-I202 WeakPolarHBondContact O-CD1 3.47Å
198	P	95	Very high	93.3	Very high	16 Å²	16	69.3 Å²	69.3	10%	0.104	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-59.6	153.2	178.7	-23.9	31.9	0	0	0	111.8	A200 V201 I202 R430	P198-A200 PolarHBondContact O-N 3.19Å; P198-A200 VanDerWaalsContact O-N 3.13Å; P198-V201 HydrophobicContact CB-CG2 4.35Å; P198-V201 HydrophobicContact CG-CG2 4.22Å; P198-V201 WeakPolarHBondContact O-CB 3.29Å; P198-V201 PolarHBondContact O-N 3.28Å; P198-I202 PolarHBondContact O-N 3.38Å; P198-R430 VanDerWaalsContact CD-CZ 3.41Å; P198-R430 VanDerWaalsContact CD-NH2 3.3Å; P198-R430 HydrophobicContact CG-CG 4.04Å
199	Y	94.4	Very high	93.3	Very high	119 Å²	119	63.7 Å²	63.7	47%	0.467	29%	0.29	S	S	.	.	H	α-helix	trans	-51.3	-40.2	175.5	172.1	-91.3	0	0	0	112.5	V201 I202 K203	Y199-V201 VanDerWaalsContact C-N 3.33Å; Y199-V201 PolarHBondContact O-N 2.89Å; Y199-I202 PolarHBondContact O-N 2.92Å; Y199-K203 HydrophobicContact CE1-CB 4.12Å; Y199-K203 HydrophobicContact CE1-CD 3.67Å; Y199-K203 HydrophobicContact CE1-CG 4.45Å; Y199-K203 VanDerWaalsContact O-CB 3.24Å; Y199-K203 WeakPolarHBondContact O-CB 3.31Å; Y199-K203 PolarHBondContact O-N 3.41Å
200	A	94.6	Very high	93.3	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-56.4	-46.6	177.7	0	0	0	0	0	112	P198 K203 I204 L419 F420	P198-A200 PolarHBondContact O-N 3.19Å; P198-A200 VanDerWaalsContact O-N 3.13Å; A200-K203 PolarHBondContact O-N 3.29Å; A200-I204 WeakPolarHBondContact O-CB 3.44Å; A200-I204 WeakPolarHBondContact O-CD1 3.36Å; A200-I204 VanDerWaalsContact O-CG1 3.24Å; A200-I204 WeakPolarHBondContact O-CG1 2.86Å; A200-I204 PolarHBondContact O-N 3.24Å; A200-L419 HydrophobicContact CB-CD1 4.08Å; A200-L419 HydrophobicContact CB-CG 4.39Å; A200-L419 WeakPolarHBondContact CB-O 3.45Å; A200-F420 HydrophobicContact CB-CD1 4.21Å; A200-F420 HydrophobicContact CB-CE1 3.91Å
201	V	96.3	Very high	93.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-50.5	178.6	179.8	0	0	0	0	109.8	L137 L197 P198 Y199 K203 I204 F205 E451 V455	L137-V201 HydrophobicContact CD2-CG1 4.47Å; L197-V201 HydrophobicContact CB-CB 4.35Å; L197-V201 HydrophobicContact CB-CG1 4.3Å; L197-V201 HydrophobicContact CD1-CG1 4.12Å; L197-V201 HydrophobicContact CD2-CG1 4.36Å; P198-V201 HydrophobicContact CB-CG2 4.35Å; P198-V201 HydrophobicContact CG-CG2 4.22Å; P198-V201 WeakPolarHBondContact O-CB 3.29Å; P198-V201 PolarHBondContact O-N 3.28Å; Y199-V201 VanDerWaalsContact C-N 3.33Å; Y199-V201 PolarHBondContact O-N 2.89Å; V201-K203 VanDerWaalsContact C-N 3.27Å; V201-K203 PolarHBondContact O-N 3.18Å; V201-I204 PolarHBondContact O-N 3.41Å; V201-F205 HydrophobicContact CG1-CD2 4.01Å; V201-F205 WeakPolarHBondContact O-CD2 3.38Å; V201-F205 PolarHBondContact O-N 3.22Å; V201-E451 HydrophobicContact CG2-CG 3.85Å; V201-V455 HydrophobicContact CG2-CG2 3.69Å
202	I	95.6	Very high	92.7	Very high	56 Å²	56	64.1 Å²	64.1	29%	0.287	29%	0.294	S	S	.	.	H	α-helix	trans	-59.5	-40.6	-179.6	-63.2	173.2	0	0	0	111.2	Y179 L197 P198 Y199 R206 I209	Y179-I202 HydrophobicContact CE1-CD1 4.24Å; Y179-I202 HydrophobicContact CE1-CG1 4.41Å; L197-I202 HydrophobicContact CB-CD1 4.41Å; L197-I202 HydrophobicContact CB-CG1 4.05Å; L197-I202 WeakPolarHBondContact O-CD1 3.47Å; P198-I202 PolarHBondContact O-N 3.38Å; Y199-I202 PolarHBondContact O-N 2.92Å; I202-R206 VanDerWaalsContact O-CA 3.25Å; I202-R206 WeakPolarHBondContact O-CA 3.29Å; I202-R206 WeakPolarHBondContact O-CB 3.44Å; I202-R206 PolarHBondContact O-N 2.66Å; I202-I209 HydrophobicContact CB-CD1 4.34Å; I202-I209 HydrophobicContact CG1-CD1 4.33Å; I202-I209 HydrophobicContact CG2-CD1 4.32Å
203	K	94.6	Very high	91.7	Very high	118 Å²	118	66.7 Å²	66.7	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-47.7	178.5	178.9	-179.2	176.5	179.6	0	112	Y199 A200 V201	Y199-K203 HydrophobicContact CE1-CB 4.12Å; Y199-K203 HydrophobicContact CE1-CD 3.67Å; Y199-K203 HydrophobicContact CE1-CG 4.45Å; Y199-K203 VanDerWaalsContact O-CB 3.24Å; Y199-K203 WeakPolarHBondContact O-CB 3.31Å; Y199-K203 PolarHBondContact O-N 3.41Å; A200-K203 PolarHBondContact O-N 3.29Å; V201-K203 VanDerWaalsContact C-N 3.27Å; V201-K203 PolarHBondContact O-N 3.18Å
204	I	94.5	Very high	90.4	Very high	46 Å²	46	66.1 Å²	66.1	24%	0.236	33%	0.329	C	S	.	.	H	α-helix	trans	-68.3	-44.8	-176.9	-69.3	164	0	0	0	110.5	A200 V201 R206 L419 V455 K458	A200-I204 WeakPolarHBondContact O-CB 3.44Å; A200-I204 WeakPolarHBondContact O-CD1 3.36Å; A200-I204 VanDerWaalsContact O-CG1 3.24Å; A200-I204 WeakPolarHBondContact O-CG1 2.86Å; A200-I204 PolarHBondContact O-N 3.24Å; V201-I204 PolarHBondContact O-N 3.41Å; I204-R206 VanDerWaalsContact C-N 3.34Å; I204-R206 PolarHBondContact O-N 3.4Å; I204-L419 HydrophobicContact CD1-CD1 4.13Å; I204-V455 HydrophobicContact CD1-CB 4.27Å; I204-V455 HydrophobicContact CD1-CG1 3.73Å; I204-V455 HydrophobicContact CD1-CG2 4.34Å; I204-K458 HydrophobicContact CG2-CB 3.73Å
205	F	95.7	Very high	89	Confident	13 Å²	13	67.5 Å²	67.5	6%	0.057	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	19.2	-175.5	-63.8	-87.6	0	0	0	113.2	L137 A140 L176 V201 K207 R208 I209 L454 K458	L137-F205 HydrophobicContact CD2-CD2 4.15Å; L137-F205 HydrophobicContact CD2-CE1 4.29Å; L137-F205 HydrophobicContact CD2-CE2 3.66Å; L137-F205 HydrophobicContact CD2-CZ 3.75Å; A140-F205 HydrophobicContact CB-CE1 4.25Å; L176-F205 HydrophobicContact CD2-CB 3.7Å; L176-F205 HydrophobicContact CD2-CD1 4.17Å; L176-F205 HydrophobicContact CD2-CG 4.1Å; V201-F205 HydrophobicContact CG1-CD2 4.01Å; V201-F205 WeakPolarHBondContact O-CD2 3.38Å; V201-F205 PolarHBondContact O-N 3.22Å; F205-K207 VanDerWaalsContact C-N 3.28Å; F205-K207 PolarHBondContact O-N 3.19Å; F205-R208 PolarHBondContact O-N 3.14Å; F205-R208 VanDerWaalsContact O-N 3.12Å; F205-I209 HydrophobicContact CB-CD1 4.25Å; F205-I209 WeakPolarHBondContact O-CG1 3.31Å; F205-I209 PolarHBondContact O-N 3.39Å; F205-L454 HydrophobicContact CZ-CB 4.16Å; F205-K458 HydrophobicContact CE1-CG 4.23Å; F205-K458 HydrophobicContact CZ-CB 4.31Å; F205-K458 HydrophobicContact CZ-CG 3.98Å
206	R	93.9	Very high	87.1	Confident	177 Å²	177	69.3 Å²	69.3	67%	0.668	36%	0.356	S	S	*	.	H	α-helix	trans	-53.6	-42.4	-174.4	-177	176.6	177.9	162.3	0.4	113.2	I202 I204 I209 S210	I202-R206 VanDerWaalsContact O-CA 3.25Å; I202-R206 WeakPolarHBondContact O-CA 3.29Å; I202-R206 WeakPolarHBondContact O-CB 3.44Å; I202-R206 PolarHBondContact O-N 2.66Å; I204-R206 VanDerWaalsContact C-N 3.34Å; I204-R206 PolarHBondContact O-N 3.4Å; R206-I209 PolarHBondContact O-N 2.97Å; R206-S210 WeakPolarHBondContact O-CB 3.46Å; R206-S210 PolarHBondContact O-N 2.92Å; R206-S210 PolarHBondContact O-OG 2.82Å
207	K	90	Very high	85.1	Confident	147 Å²	147	70.5 Å²	70.5	64%	0.639	37%	0.365	S	S	*	.	H	α-helix	trans	-56.9	-56.2	178.4	-71.4	-175.4	-172.9	173.1	0	109.8	F205 I209 S210 M211 D222	F205-K207 VanDerWaalsContact C-N 3.28Å; F205-K207 PolarHBondContact O-N 3.19Å; K207-I209 PolarHBondContact O-N 3.45Å; K207-S210 CarbonylContact O-C 3.45Å; K207-S210 PolarHBondContact O-N 2.76Å; K207-M211 WeakPolarHBondContact O-CG 3.3Å; K207-M211 PolarHBondContact O-N 3.28Å; K207-M211 VanDerWaalsContact O-N 3.14Å; K207-D222 IonicContact NZ-OD1 2.92Å; K207-D222 PolarHBondContact NZ-OD1 3.47Å
208	R	89	Confident	82.5	Confident	48 Å²	48	76.4 Å²	76.4	18%	0.181	40%	0.396	C	S	.	.	H	α-helix	trans	-57.8	-46.4	178.8	-70.3	-70.4	-167.7	-177.6	2.8	112.5	N141 L176 F205 S210 M211 D220	N141-R208 PolarHBondContact OD1-NE 3.2Å; L176-R208 HydrophobicContact CD2-CB 4.08Å; F205-R208 PolarHBondContact O-N 3.14Å; F205-R208 VanDerWaalsContact O-N 3.12Å; R208-S210 PolarHBondContact O-N 3.4Å; R208-M211 WeakPolarHBondContact O-CB 3.33Å; R208-M211 PolarHBondContact O-N 3.05Å; R208-M211 VanDerWaalsContact O-N 3.13Å; R208-D220 IonicContact CZ-OD1 3.01Å; R208-D220 IonicContact NH2-OD1 3.57Å; R208-D220 PolarHBondContact NH2-OD1 3.38Å
209	I	93.1	Very high	80.1	Confident	6 Å²	6	83.1 Å²	83.1	3%	0.031	42%	0.424	C	S	.	.	H	α-helix	trans	-61.6	-27.2	177.8	-68.5	167.9	0	0	0	112.4	L176 Y179 N180 I202 F205 R206 K207	L176-I209 HydrophobicContact CD1-CD1 4.47Å; L176-I209 HydrophobicContact CD1-CG1 3.99Å; L176-I209 HydrophobicContact CD2-CG1 4.05Å; L176-I209 HydrophobicContact CG-CG1 3.65Å; Y179-I209 HydrophobicContact CD1-CG2 4.19Å; N180-I209 VanDerWaalsContact ND2-CG2 3.33Å; N180-I209 WeakPolarHBondContact ND2-CG2 3.24Å; N180-I209 PolarHBondContact ND2-O 3.25Å; I202-I209 HydrophobicContact CB-CD1 4.34Å; I202-I209 HydrophobicContact CG1-CD1 4.33Å; I202-I209 HydrophobicContact CG2-CD1 4.32Å; F205-I209 HydrophobicContact CB-CD1 4.25Å; F205-I209 WeakPolarHBondContact O-CG1 3.31Å; F205-I209 PolarHBondContact O-N 3.39Å; R206-I209 PolarHBondContact O-N 2.97Å; K207-I209 PolarHBondContact O-N 3.45Å
210	S	89.8	Confident	77.9	Confident	83 Å²	83	80.8 Å²	80.8	58%	0.58	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-2.7	-179.6	-48.5	0	0	0	0	113.4	R206 K207 R208	R206-S210 WeakPolarHBondContact O-CB 3.46Å; R206-S210 PolarHBondContact O-N 2.92Å; R206-S210 PolarHBondContact O-OG 2.82Å; K207-S210 CarbonylContact O-C 3.45Å; K207-S210 PolarHBondContact O-N 2.76Å; R208-S210 PolarHBondContact O-N 3.4Å
211	M	85.5	Confident	75.4	Confident	58 Å²	58	86 Å²	86	29%	0.286	44%	0.443	S	S	.	.	S	Bend	trans	-70.1	157.5	177.2	-73.1	178.4	99.6	0	0	111	S177 K207 R208	S177-M211 WeakPolarHBondContact CB-O 3.38Å; K207-M211 WeakPolarHBondContact O-CG 3.3Å; K207-M211 PolarHBondContact O-N 3.28Å; K207-M211 VanDerWaalsContact O-N 3.14Å; R208-M211 WeakPolarHBondContact O-CB 3.33Å; R208-M211 PolarHBondContact O-N 3.05Å; R208-M211 VanDerWaalsContact O-N 3.13Å
212	K	78.2	Confident	73	Confident	174 Å²	174	90.3 Å²	90.3	76%	0.757	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-77.7	138.9	170.9	-69.7	-174.7	178.4	179.9	0	109.8	G214 A215	K212-G214 PolarHBondContact O-N 3.32Å; K212-A215 WeakPolarHBondContact O-CB 3.45Å; K212-A215 PolarHBondContact O-N 2.99Å
213	P	70.7	Confident	70.6	Confident	71 Å²	71	92.4 Å²	92.4	46%	0.461	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	133	173.5	-23.8	32.9	0	0	0	111.1	E178 A215	E178-P213 HydrophobicContact CG-CB 4.28Å; E178-P213 HydrophobicContact CG-CG 4.05Å; P213-A215 PolarHBondContact O-N 3.22Å
214	G	65.2	Low	68	Low	76 Å²	76	91.4 Å²	91.4	78%	0.784	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	5.2	178.8	0	0	0	0	0	116	K212 D216	K212-G214 PolarHBondContact O-N 3.32Å; G214-D216 PolarHBondContact O-N 2.71Å
215	A	64.5	Low	66	Low	54 Å²	54	94.3 Å²	94.3	45%	0.446	49%	0.494	S	S	.	.			trans	-69	83.9	163.2	0	0	0	0	0	108.8	K212 P213 D217	K212-A215 WeakPolarHBondContact O-CB 3.45Å; K212-A215 PolarHBondContact O-N 2.99Å; P213-A215 PolarHBondContact O-N 3.22Å; A215-D217 VanDerWaalsContact C-N 3.28Å; A215-D217 PolarHBondContact O-N 3.42Å
216	D	55.9	Low	64	Low	118 Å²	118	102.3 Å²	102.3	63%	0.631	53%	0.532	S	S	*	.			trans	-75.2	79.2	-179.6	-159	19	0	0	0	109	G214 L218	G214-D216 PolarHBondContact O-N 2.71Å; D216-L218 PolarHBondContact O-N 2.9Å; D216-L218 WeakPolarHBondContact OD2-CG 3.28Å
217	D	52.8	Low	62.6	Low	94 Å²	94	96.3 Å²	96.3	50%	0.503	51%	0.512	S	S	.	.			trans	-71.1	81.4	156.1	-79.2	-24.5	0	0	0	106.6	A215 K219	A215-D217 VanDerWaalsContact C-N 3.28Å; A215-D217 PolarHBondContact O-N 3.42Å; D217-K219 VanDerWaalsContact C-N 3.3Å; D217-K219 CarbonylContact O-C 3.5Å; D217-K219 PolarHBondContact O-N 2.96Å
218	L	43.7	Very low	61.7	Low	131 Å²	131	93.7 Å²	93.7	69%	0.686	51%	0.505	S	S	*	.	S	Bend	trans	-50	100.6	158.9	-74.8	161.7	0	0	0	106.8	D216	D216-L218 PolarHBondContact O-N 2.9Å; D216-L218 WeakPolarHBondContact OD2-CG 3.28Å
219	K	44.9	Very low	61.3	Low	157 Å²	157	94.3 Å²	94.3	68%	0.683	51%	0.51	S	S	*	.	S	Bend	trans	105.3	119.4	-175.5	-61.8	164.5	-174.8	178.5	0	111.4	D217 H221	D217-K219 VanDerWaalsContact C-N 3.3Å; D217-K219 CarbonylContact O-C 3.5Å; D217-K219 PolarHBondContact O-N 2.96Å; K219-H221 PolarHBondContact O-N 3.04Å
220	D	46.5	Very low	60.6	Low	69 Å²	69	97 Å²	97	37%	0.369	53%	0.53	S	S	.	.			trans	-50.1	77.6	162.7	-83.4	-48.1	0	0	0	111.3	R208 D222 N223	R208-D220 IonicContact CZ-OD1 3.01Å; R208-D220 IonicContact NH2-OD1 3.57Å; R208-D220 PolarHBondContact NH2-OD1 3.38Å; D220-D222 PolarHBondContact O-N 3.28Å; D220-D222 VanDerWaalsContact O-N 3.14Å; D220-N223 PolarHBondContact O-N 3.48Å
221	H	41.9	Very low	60.1	Low	111 Å²	111	96.1 Å²	96.1	51%	0.514	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.6	177.5	-111.1	-67.6	0	0	0	112.1	K219 N223 N224 D225	K219-H221 PolarHBondContact O-N 3.04Å; H221-N223 PolarHBondContact O-N 2.95Å; H221-N224 PolarHBondContact O-N 2.81Å; H221-N224 VanDerWaalsContact O-N 3.15Å; H221-D225 PolarHBondContact O-N 3.38Å
222	D	46.9	Very low	60.1	Low	90 Å²	90	93.3 Å²	93.3	48%	0.481	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.9	169.5	-124.3	21	0	0	0	112.2	K207 D220	K207-D222 IonicContact NZ-OD1 2.92Å; K207-D222 PolarHBondContact NZ-OD1 3.47Å; D220-D222 PolarHBondContact O-N 3.28Å; D220-D222 VanDerWaalsContact O-N 3.14Å
223	N	45.3	Very low	60.5	Low	99 Å²	99	91.7 Å²	91.7	53%	0.529	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-13.6	170	-78.7	0.2	0	0	0	113.7	D220 H221 K458	D220-N223 PolarHBondContact O-N 3.48Å; H221-N223 PolarHBondContact O-N 2.95Å; N223-K458 PolarHBondContact OD1-NZ 3.25Å
224	N	40.4	Very low	61.2	Low	98 Å²	98	95.6 Å²	95.6	52%	0.524	52%	0.517	S	S	.	.			trans	-109.7	27.6	-177.7	-81	4.5	0	0	0	113	H221 E226	H221-N224 PolarHBondContact O-N 2.81Å; H221-N224 VanDerWaalsContact O-N 3.15Å; N224-E226 PolarHBondContact O-N 3.21Å
225	D	51.3	Low	62.3	Low	106 Å²	106	98.3 Å²	98.3	57%	0.567	50%	0.504	S	S	*	.	S	Bend	trans	-59.8	85.1	141.3	-80	-13.2	0	0	0	104.5	H221 I227	H221-D225 PolarHBondContact O-N 3.38Å; D225-I227 WeakPolarHBondContact O-CA 3.4Å; D225-I227 WeakPolarHBondContact O-CG1 3.33Å; D225-I227 PolarHBondContact O-N 3.08Å
226	E	54.2	Low	63.6	Low	181 Å²	181	96 Å²	96	85%	0.846	48%	0.484	S	S	*	.			trans	-41.4	110.6	177.6	-162.8	170	-150.2	0	0	105.2	N224 D228	N224-E226 PolarHBondContact O-N 3.21Å; E226-D228 VanDerWaalsContact C-N 3.27Å; E226-D228 PolarHBondContact O-N 3.4Å
227	I	64.1	Low	65.4	Low	51 Å²	51	91.4 Å²	91.4	26%	0.262	46%	0.46	S	S	.	.			trans	-68.5	98.9	-162.6	-63.8	-179.3	0	0	0	104.9	D225 H229 D250 C253	D225-I227 WeakPolarHBondContact O-CA 3.4Å; D225-I227 WeakPolarHBondContact O-CG1 3.33Å; D225-I227 PolarHBondContact O-N 3.08Å; I227-H229 PolarHBondContact O-CD2 3.37Å; I227-H229 PolarHBondContact O-N 3.47Å; I227-H229 PolarHBondContact O-NE2 2.87Å; I227-D250 HydrophobicContact CD1-CB 3.79Å; I227-C253 HydrophobicContact CG2-CB 3.34Å; I227-C253 WeakPolarHBondContact CG2-SG 3.44Å
228	D	72.8	Confident	67.1	Low	92 Å²	92	92.2 Å²	92.2	49%	0.492	46%	0.464	S	S	.	.			trans	-70	101.2	-174.6	-178.2	12.1	0	0	0	109.2	E226 S230 T231	E226-D228 VanDerWaalsContact C-N 3.27Å; E226-D228 PolarHBondContact O-N 3.4Å; D228-S230 PolarHBondContact O-N 3.28Å; D228-S230 WeakPolarHBondContact OD1-CB 3.27Å; D228-S230 PolarHBondContact OD1-N 3.05Å; D228-S230 PolarHBondContact OD1-OG 2.8Å; D228-S230 PolarHBondContact OD2-OG 3.3Å; D228-T231 PolarHBondContact O-OG1 3.07Å; D228-T231 VanDerWaalsContact O-OG1 3.12Å
229	H	79.9	Confident	69.2	Low	61 Å²	61	91.4 Å²	91.4	28%	0.282	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-11.3	177.6	-64.2	174.2	0	0	0	111.9	I227 T231 L232 D250	I227-H229 PolarHBondContact O-CD2 3.37Å; I227-H229 PolarHBondContact O-N 3.47Å; I227-H229 PolarHBondContact O-NE2 2.87Å; H229-T231 PolarHBondContact O-N 2.92Å; H229-L232 HydrophobicContact CB-CD1 4.2Å; H229-L232 VanDerWaalsContact O-CB 3.28Å; H229-L232 WeakPolarHBondContact O-CB 3.34Å; H229-L232 PolarHBondContact O-N 3.05Å; H229-D250 IonicContact CD2-OD1 3.87Å; H229-D250 IonicContact CE1-OD1 2.97Å; H229-D250 PolarHBondContact CE1-OD1 3.23Å; H229-D250 IonicContact NE2-OD1 2.63Å; H229-D250 PolarHBondContact NE2-OD1 2.89Å
230	S	77.3	Confident	71.5	Confident	64 Å²	64	84 Å²	84	45%	0.448	43%	0.428	S	S	.	.	H	α-helix	trans	-55.3	-38.1	-179.3	76.9	0	0	0	0	111.5	D228 L232 K233	D228-S230 PolarHBondContact O-N 3.28Å; D228-S230 WeakPolarHBondContact OD1-CB 3.27Å; D228-S230 PolarHBondContact OD1-N 3.05Å; D228-S230 PolarHBondContact OD1-OG 2.8Å; D228-S230 PolarHBondContact OD2-OG 3.3Å; S230-L232 PolarHBondContact O-N 2.9Å; S230-L232 VanDerWaalsContact O-N 3.15Å; S230-K233 PolarHBondContact O-N 3.13Å
231	T	79.2	Confident	73.7	Confident	63 Å²	63	81.4 Å²	81.4	39%	0.387	42%	0.415	S	S	.	.	H	α-helix	trans	-66.1	-13.5	179	62.5	0	0	0	0	114.9	D228 H229	D228-T231 PolarHBondContact O-OG1 3.07Å; D228-T231 VanDerWaalsContact O-OG1 3.12Å; H229-T231 PolarHBondContact O-N 2.92Å
232	L	87.1	Confident	76	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-79.6	-32.6	179.5	-61.1	-179.2	0	0	0	112.3	H229 S230 D234 R235 I236 L241 K249 V252 C253 L256	H229-L232 HydrophobicContact CB-CD1 4.2Å; H229-L232 VanDerWaalsContact O-CB 3.28Å; H229-L232 WeakPolarHBondContact O-CB 3.34Å; H229-L232 PolarHBondContact O-N 3.05Å; S230-L232 PolarHBondContact O-N 2.9Å; S230-L232 VanDerWaalsContact O-N 3.15Å; L232-D234 VanDerWaalsContact C-N 3.27Å; L232-D234 PolarHBondContact O-N 3.36Å; L232-R235 PolarHBondContact O-N 3.37Å; L232-I236 HydrophobicContact CB-CD1 4.33Å; L232-I236 HydrophobicContact CD2-CD1 4.03Å; L232-I236 PolarHBondContact O-N 3.47Å; L232-L241 HydrophobicContact CB-CD1 3.96Å; L232-L241 HydrophobicContact CB-CD2 4.28Å; L232-L241 HydrophobicContact CD1-CD1 4.04Å; L232-K249 HydrophobicContact CD1-CB 4.11Å; L232-V252 HydrophobicContact CD2-CG1 3.96Å; L232-C253 HydrophobicContact CD2-CB 4.3Å; L232-L256 HydrophobicContact CD2-CD1 3.74Å
233	K	85.3	Confident	78	Confident	139 Å²	139	78.8 Å²	78.8	60%	0.604	42%	0.418	S	S	*	.	H	α-helix	trans	-58.9	-39.2	-178.1	-71	-173.8	175.2	-172.6	0	112.1	S230 R235 L241	S230-K233 PolarHBondContact O-N 3.13Å; K233-R235 PolarHBondContact O-N 3.35Å; K233-L241 HydrophobicContact CB-CD2 4.35Å; K233-L241 HydrophobicContact CG-CD2 3.6Å
234	D	85.8	Confident	80.1	Confident	153 Å²	153	74.3 Å²	74.3	82%	0.818	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.7	-179.2	-58	-29.6	0	0	0	113.5	L232	L232-D234 VanDerWaalsContact C-N 3.27Å; L232-D234 PolarHBondContact O-N 3.36Å
235	R	88.7	Confident	82.5	Confident	134 Å²	134	72.9 Å²	72.9	51%	0.506	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-20.7	-171	-65.3	-176.4	179.1	-117.4	0.3	113.8	L232 K233 A282	L232-R235 PolarHBondContact O-N 3.37Å; K233-R235 PolarHBondContact O-N 3.35Å; R235-A282 HydrophobicContact CB-CB 3.99Å; R235-A282 VanDerWaalsContact O-CA 3.24Å; R235-A282 WeakPolarHBondContact O-CA 3.36Å
236	I	92.6	Very high	84.3	Confident	6 Å²	6	71.1 Å²	71.1	3%	0.031	38%	0.378	C	S	.	.	S	Bend	trans	-132.5	139.3	-169.8	-56.7	174.4	0	0	0	108.5	L232 L240 V252 A278 A282	L232-I236 HydrophobicContact CB-CD1 4.33Å; L232-I236 HydrophobicContact CD2-CD1 4.03Å; L232-I236 PolarHBondContact O-N 3.47Å; I236-L240 HydrophobicContact CG2-CB 4.3Å; I236-L240 HydrophobicContact CG2-CD2 3.88Å; I236-L240 HydrophobicContact CG2-CG 4.01Å; I236-V252 HydrophobicContact CD1-CG1 3.48Å; I236-V252 VanDerWaalsContact CD1-CG1 3.48Å; I236-A278 HydrophobicContact CD1-CB 4.21Å; I236-A278 HydrophobicContact CG2-CB 4.15Å; I236-A282 HydrophobicContact CG1-CB 4.07Å
237	P	92.5	Very high	86	Confident	20 Å²	20	62.8 Å²	62.8	13%	0.13	34%	0.339	C	S	.	.			trans	-51.8	139.2	175.6	-29.4	36.5	0	0	0	113.9	D239 L240 L241 L309 P312	P237-D239 PolarHBondContact O-N 2.83Å; P237-L240 HydrophobicContact CB-CB 4.18Å; P237-L240 WeakPolarHBondContact O-CB 3.34Å; P237-L240 PolarHBondContact O-N 2.83Å; P237-L241 PolarHBondContact O-N 3.49Å; P237-L309 HydrophobicContact CG-CD2 4.27Å; P237-P312 HydrophobicContact CB-CB 3.58Å; P237-P312 HydrophobicContact CB-CG 3.72Å; P237-P312 HydrophobicContact CG-CB 3.6Å; P237-P312 HydrophobicContact CG-CG 4.11Å
238	D	89.7	Confident	87.4	Confident	111 Å²	111	60.6 Å²	60.6	59%	0.594	33%	0.328	S	S	*	.	H	α-helix	trans	-59.9	-45.4	-174.9	-73.7	-40.4	0	0	0	113.1	L240 L241 A242	D238-L240 VanDerWaalsContact C-N 3.28Å; D238-L240 PolarHBondContact O-N 2.93Å; D238-L241 PolarHBondContact O-N 3.21Å; D238-A242 WeakPolarHBondContact O-CB 3.44Å; D238-A242 PolarHBondContact O-N 2.7Å
239	D	87.8	Confident	88.4	Confident	115 Å²	115	58.5 Å²	58.5	62%	0.615	31%	0.314	S	S	*	.	H	α-helix	trans	-60.4	-39.5	178.6	-67.4	-15.1	0	0	0	111.9	P237 T243	P237-D239 PolarHBondContact O-N 2.83Å; D239-T243 PolarHBondContact O-N 3.06Å; D239-T243 PolarHBondContact O-OG1 3.22Å
240	L	91.4	Very high	89	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.7	-46.6	176.2	177.4	54.6	0	0	0	110.3	I236 P237 D238 A242 T243 L244 I274 A278 W308 L309	I236-L240 HydrophobicContact CG2-CB 4.3Å; I236-L240 HydrophobicContact CG2-CD2 3.88Å; I236-L240 HydrophobicContact CG2-CG 4.01Å; P237-L240 HydrophobicContact CB-CB 4.18Å; P237-L240 WeakPolarHBondContact O-CB 3.34Å; P237-L240 PolarHBondContact O-N 2.83Å; D238-L240 VanDerWaalsContact C-N 3.28Å; D238-L240 PolarHBondContact O-N 2.93Å; L240-A242 VanDerWaalsContact C-N 3.33Å; L240-A242 PolarHBondContact O-N 3.45Å; L240-T243 PolarHBondContact O-N 3.42Å; L240-L244 WeakPolarHBondContact O-CG 3.29Å; L240-L244 PolarHBondContact O-N 2.91Å; L240-I274 HydrophobicContact CD1-CD1 3.69Å; L240-I274 HydrophobicContact CD1-CG1 3.3Å; L240-A278 HydrophobicContact CD2-CB 3.93Å; L240-A278 HydrophobicContact CG-CB 4.22Å; L240-W308 HydrophobicContact CD1-CB 4.22Å; L240-W308 HydrophobicContact CD1-CD2 4.19Å; L240-W308 HydrophobicContact CD1-CE3 4.11Å; L240-W308 HydrophobicContact CD1-CG 4.24Å; L240-L309 HydrophobicContact CD2-CD2 3.89Å
241	L	92.5	Very high	89.9	Confident	15 Å²	15	54.9 Å²	54.9	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-36.7	178.8	-178.6	61.8	0	0	0	112.7	L232 K233 P237 D238 T243 K249	L232-L241 HydrophobicContact CB-CD1 3.96Å; L232-L241 HydrophobicContact CB-CD2 4.28Å; L232-L241 HydrophobicContact CD1-CD1 4.04Å; K233-L241 HydrophobicContact CB-CD2 4.35Å; K233-L241 HydrophobicContact CG-CD2 3.6Å; P237-L241 PolarHBondContact O-N 3.49Å; D238-L241 PolarHBondContact O-N 3.21Å; L241-T243 VanDerWaalsContact C-N 3.28Å; L241-T243 PolarHBondContact O-N 3.12Å; L241-K249 HydrophobicContact CD1-CD 4.29Å; L241-K249 HydrophobicContact CD1-CG 4.27Å; L241-K249 WeakPolarHBondContact O-CE 3.27Å; L241-K249 PolarHBondContact O-NZ 3.06Å
242	A	90.6	Very high	90.7	Very high	80 Å²	80	51.9 Å²	51.9	66%	0.661	27%	0.273	S	S	*	.	H	α-helix	trans	-66.1	-31.9	177.4	0	0	0	0	0	112.3	D238 L240	D238-A242 WeakPolarHBondContact O-CB 3.44Å; D238-A242 PolarHBondContact O-N 2.7Å; L240-A242 VanDerWaalsContact C-N 3.33Å; L240-A242 PolarHBondContact O-N 3.45Å
243	T	88.8	Confident	91.1	Very high	67 Å²	67	52.1 Å²	52.1	41%	0.411	28%	0.275	S	S	.	.	H	α-helix	trans	-78.2	-30	-179.2	-56.1	0	0	0	0	113.1	D239 L240 L241 F245 I274 W308	D239-T243 PolarHBondContact O-N 3.06Å; D239-T243 PolarHBondContact O-OG1 3.22Å; L240-T243 PolarHBondContact O-N 3.42Å; L241-T243 VanDerWaalsContact C-N 3.28Å; L241-T243 PolarHBondContact O-N 3.12Å; T243-F245 PolarHBondContact O-N 3.28Å; T243-I274 HydrophobicContact CG2-CD1 3.84Å; T243-W308 HydrophobicContact CG2-CH2 3.57Å; T243-W308 HydrophobicContact CG2-CZ2 4.32Å; T243-W308 HydrophobicContact CG2-CZ3 3.99Å; T243-W308 WeakPolarHBondContact OG1-CZ3 3.47Å
244	L	90.8	Very high	91.5	Very high	5 Å²	5	48 Å²	48	3%	0.026	26%	0.259	C	S	.	.	S	Bend	trans	-63.6	133.3	-176.7	-68	176.1	0	0	0	112.5	L240 Q248 K249 V252 I274 A278	L240-L244 WeakPolarHBondContact O-CG 3.29Å; L240-L244 PolarHBondContact O-N 2.91Å; L244-Q248 HydrophobicContact CB-CB 4.19Å; L244-Q248 HydrophobicContact CD2-CB 4.06Å; L244-K249 HydrophobicContact CB-CG 3.85Å; L244-K249 HydrophobicContact CD1-CG 4.42Å; L244-K249 VanDerWaalsContact O-CE 3.22Å; L244-K249 WeakPolarHBondContact O-CE 3.46Å; L244-V252 HydrophobicContact CD1-CG2 4.06Å; L244-I274 HydrophobicContact CD2-CD1 4.35Å; L244-I274 HydrophobicContact CD2-CG1 4.02Å; L244-I274 HydrophobicContact CD2-CG2 4Å; L244-A278 HydrophobicContact CD1-CB 3.93Å
245	F	89.7	Confident	92	Very high	67 Å²	67	40.7 Å²	40.7	29%	0.294	22%	0.22	S	C	.	.			trans	-63.2	155.3	168.7	-65.2	-62.3	0	0	0	111.4	T243 F247 Q248 K249 L473	T243-F245 PolarHBondContact O-N 3.28Å; F245-F247 HydrophobicContact CB-CD1 3.73Å; F245-F247 HydrophobicContact CB-CE1 3.57Å; F245-F247 HydrophobicContact CB-CZ 4.45Å; F245-F247 AromaticContact CD2-CE1 3.91Å; F245-F247 HydrophobicContact CD2-CE1 3.91Å; F245-F247 HydrophobicContact CD2-CZ 4.36Å; F245-F247 HydrophobicContact CG-CE1 4Å; F245-F247 PolarHBondContact O-N 3.29Å; F245-Q248 HydrophobicContact CB-CG 4.11Å; F245-Q248 WeakPolarHBondContact O-CA 3.36Å; F245-Q248 VanDerWaalsContact O-CB 3.31Å; F245-Q248 WeakPolarHBondContact O-CB 3.28Å; F245-Q248 PolarHBondContact O-N 3.41Å; F245-K249 PolarHBondContact O-N 3.45Å; F245-L473 HydrophobicContact CE2-CD2 4.3Å
246	P	89.6	Confident	92.3	Very high	70 Å²	70	35.4 Å²	35.4	46%	0.455	20%	0.202	S	C	.	.	H	α-helix	trans	-51.6	-48.6	179.5	-27.8	33.9	0	0	0	113.9	Q248 K249 D250	P246-Q248 PolarHBondContact O-N 3.07Å; P246-K249 WeakPolarHBondContact O-CB 3.17Å; P246-K249 PolarHBondContact O-N 3.06Å; P246-K249 VanDerWaalsContact O-N 3.13Å; P246-D250 PolarHBondContact O-N 3.01Å
247	F	90.2	Very high	92.3	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-29	177.6	79.6	-92.4	0	0	0	112.8	F245 G251 L270 R464 V469 L473	F245-F247 HydrophobicContact CB-CD1 3.73Å; F245-F247 HydrophobicContact CB-CE1 3.57Å; F245-F247 HydrophobicContact CB-CZ 4.45Å; F245-F247 AromaticContact CD2-CE1 3.91Å; F245-F247 HydrophobicContact CD2-CE1 3.91Å; F245-F247 HydrophobicContact CD2-CZ 4.36Å; F245-F247 HydrophobicContact CG-CE1 4Å; F245-F247 PolarHBondContact O-N 3.29Å; F247-G251 PolarHBondContact O-N 3.13Å; F247-L270 HydrophobicContact CE2-CB 4.05Å; F247-L270 HydrophobicContact CZ-CB 4.07Å; F247-L270 HydrophobicContact CZ-CD2 4.06Å; F247-L270 WeakPolarHBondContact CZ-O 3.27Å; F247-R464 PolarHBondContact O-NH1 3.04Å; F247-R464 PolarHBondContact O-NH2 3Å; F247-V469 HydrophobicContact CB-CG1 3.99Å; F247-V469 HydrophobicContact CD1-CB 4.11Å; F247-V469 HydrophobicContact CD1-CG1 4.16Å; F247-V469 HydrophobicContact CD2-CG1 4.37Å; F247-V469 HydrophobicContact CE1-CB 4.43Å; F247-V469 HydrophobicContact CE1-CG2 4.42Å; F247-V469 HydrophobicContact CG-CB 4.37Å; F247-V469 HydrophobicContact CG-CG1 3.92Å; F247-L473 HydrophobicContact CE1-CD2 4.15Å; F247-L473 HydrophobicContact CZ-CD2 4.43Å
248	Q	93.5	Very high	92.4	Very high	5 Å²	5	41.8 Å²	41.8	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-70.4	-43.9	177	-65.4	175	-32.9	0	0	110.3	L244 F245 P246 D250 G251 V252 L270 Q275	L244-Q248 HydrophobicContact CB-CB 4.19Å; L244-Q248 HydrophobicContact CD2-CB 4.06Å; F245-Q248 HydrophobicContact CB-CG 4.11Å; F245-Q248 WeakPolarHBondContact O-CA 3.36Å; F245-Q248 VanDerWaalsContact O-CB 3.31Å; F245-Q248 WeakPolarHBondContact O-CB 3.28Å; F245-Q248 PolarHBondContact O-N 3.41Å; P246-Q248 PolarHBondContact O-N 3.07Å; Q248-D250 VanDerWaalsContact C-N 3.3Å; Q248-D250 PolarHBondContact O-N 3.28Å; Q248-G251 WeakPolarHBondContact O-CA 3.18Å; Q248-G251 PolarHBondContact O-N 3.09Å; Q248-G251 VanDerWaalsContact O-N 3.07Å; Q248-V252 WeakPolarHBondContact O-CG2 3.45Å; Q248-V252 PolarHBondContact O-N 2.85Å; Q248-L270 PolarHBondContact NE2-O 2.88Å; Q248-Q275 PolarHBondContact O-NE2 2.72Å
249	K	94.1	Very high	92.7	Very high	47 Å²	47	39.6 Å²	39.6	20%	0.204	22%	0.219	C	C	.	.	H	α-helix	trans	-57.1	-43.3	173.7	-64.7	177.5	177.9	171.9	0	111.5	L232 L241 L244 F245 P246 G251 V252 C253	L232-K249 HydrophobicContact CD1-CB 4.11Å; L241-K249 HydrophobicContact CD1-CD 4.29Å; L241-K249 HydrophobicContact CD1-CG 4.27Å; L241-K249 WeakPolarHBondContact O-CE 3.27Å; L241-K249 PolarHBondContact O-NZ 3.06Å; L244-K249 HydrophobicContact CB-CG 3.85Å; L244-K249 HydrophobicContact CD1-CG 4.42Å; L244-K249 VanDerWaalsContact O-CE 3.22Å; L244-K249 WeakPolarHBondContact O-CE 3.46Å; F245-K249 PolarHBondContact O-N 3.45Å; P246-K249 WeakPolarHBondContact O-CB 3.17Å; P246-K249 PolarHBondContact O-N 3.06Å; P246-K249 VanDerWaalsContact O-N 3.13Å; K249-G251 VanDerWaalsContact C-N 3.32Å; K249-G251 PolarHBondContact O-N 2.91Å; K249-V252 PolarHBondContact O-N 3.14Å; K249-C253 PolarHBondContact O-N 2.9Å
250	D	92.5	Very high	93.1	Very high	49 Å²	49	34.1 Å²	34.1	26%	0.262	19%	0.19	S	C	.	.	H	α-helix	trans	-59.2	-43.5	174.3	-67.2	-25.1	0	0	0	112.1	I227 H229 P246 Q248 C253 L254	I227-D250 HydrophobicContact CD1-CB 3.79Å; H229-D250 IonicContact CD2-OD1 3.87Å; H229-D250 IonicContact CE1-OD1 2.97Å; H229-D250 PolarHBondContact CE1-OD1 3.23Å; H229-D250 IonicContact NE2-OD1 2.63Å; H229-D250 PolarHBondContact NE2-OD1 2.89Å; P246-D250 PolarHBondContact O-N 3.01Å; Q248-D250 VanDerWaalsContact C-N 3.3Å; Q248-D250 PolarHBondContact O-N 3.28Å; D250-C253 PolarHBondContact O-N 3.44Å; D250-L254 WeakPolarHBondContact O-CB 3.47Å; D250-L254 PolarHBondContact O-N 3.31Å
251	G	94.7	Very high	93.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-39.5	176.8	0	0	0	0	0	113.2	F247 Q248 K249 A255 I462	F247-G251 PolarHBondContact O-N 3.13Å; Q248-G251 WeakPolarHBondContact O-CA 3.18Å; Q248-G251 PolarHBondContact O-N 3.09Å; Q248-G251 VanDerWaalsContact O-N 3.07Å; K249-G251 VanDerWaalsContact C-N 3.32Å; K249-G251 PolarHBondContact O-N 2.91Å; G251-A255 WeakPolarHBondContact O-CB 3.22Å; G251-A255 PolarHBondContact O-N 2.82Å; G251-I462 VanDerWaalsContact O-CD1 3.31Å; G251-I462 WeakPolarHBondContact O-CD1 3.43Å
252	V	96.5	Very high	93.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.3	-50.6	173.8	178.2	0	0	0	0	110.1	L232 I236 L244 Q248 K249 L254 A255 L256 Q275 A278 I279	L232-V252 HydrophobicContact CD2-CG1 3.96Å; I236-V252 HydrophobicContact CD1-CG1 3.48Å; I236-V252 VanDerWaalsContact CD1-CG1 3.48Å; L244-V252 HydrophobicContact CD1-CG2 4.06Å; Q248-V252 WeakPolarHBondContact O-CG2 3.45Å; Q248-V252 PolarHBondContact O-N 2.85Å; K249-V252 PolarHBondContact O-N 3.14Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 2.78Å; V252-A255 WeakPolarHBondContact O-CB 3.43Å; V252-A255 PolarHBondContact O-N 3.21Å; V252-A255 VanDerWaalsContact O-N 3.09Å; V252-L256 HydrophobicContact CG1-CD1 4.36Å; V252-L256 HydrophobicContact CG1-CG 4.42Å; V252-L256 WeakPolarHBondContact O-CG 3.24Å; V252-L256 PolarHBondContact O-N 2.82Å; V252-Q275 HydrophobicContact CG2-CG 3.71Å; V252-A278 HydrophobicContact CG2-CB 3.95Å; V252-I279 HydrophobicContact CB-CG1 4.27Å; V252-I279 HydrophobicContact CG1-CG1 3.96Å; V252-I279 HydrophobicContact CG2-CG1 4.14Å
253	C	94.8	Very high	94	Very high	5 Å²	5	32 Å²	32	3%	0.034	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-44.2	-180	-174.4	0	0	0	0	111.9	I227 L232 K249 D250 A255 L256 K257	I227-C253 HydrophobicContact CG2-CB 3.34Å; I227-C253 WeakPolarHBondContact CG2-SG 3.44Å; L232-C253 HydrophobicContact CD2-CB 4.3Å; K249-C253 PolarHBondContact O-N 2.9Å; D250-C253 PolarHBondContact O-N 3.44Å; C253-A255 VanDerWaalsContact C-N 3.31Å; C253-A255 PolarHBondContact O-N 3.17Å; C253-L256 PolarHBondContact O-N 3.47Å; C253-K257 WeakPolarHBondContact O-CG 3.34Å; C253-K257 PolarHBondContact O-N 3.31Å
254	L	94.2	Very high	94.4	Very high	52 Å²	52	28.9 Å²	28.9	27%	0.272	15%	0.145	S	C	.	.	H	α-helix	trans	-62.4	-38.6	175.4	-177.7	58.4	0	0	0	112.1	D250 V252 L256 K257 R258 I462	D250-L254 WeakPolarHBondContact O-CB 3.47Å; D250-L254 PolarHBondContact O-N 3.31Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 2.78Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L254-K257 PolarHBondContact O-N 3.42Å; L254-R258 HydrophobicContact CD1-CG 4.49Å; L254-R258 WeakPolarHBondContact O-CB 3.1Å; L254-R258 WeakPolarHBondContact O-CG 3.46Å; L254-R258 PolarHBondContact O-N 2.94Å; L254-I462 HydrophobicContact CB-CD1 3.98Å; L254-I462 HydrophobicContact CD2-CD1 3.99Å; L254-I462 HydrophobicContact CD2-CG1 3.86Å; L254-I462 HydrophobicContact CG-CD1 3.92Å; L254-I462 HydrophobicContact CG-CG1 4.26Å
255	A	96.7	Very high	94.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.8	-39.8	174.5	0	0	0	0	0	112.3	G251 V252 C253 R258 S259 G260 V262 I279 I462	G251-A255 WeakPolarHBondContact O-CB 3.22Å; G251-A255 PolarHBondContact O-N 2.82Å; V252-A255 WeakPolarHBondContact O-CB 3.43Å; V252-A255 PolarHBondContact O-N 3.21Å; V252-A255 VanDerWaalsContact O-N 3.09Å; C253-A255 VanDerWaalsContact C-N 3.31Å; C253-A255 PolarHBondContact O-N 3.17Å; A255-R258 CarbonylContact O-C 3.59Å; A255-R258 VanDerWaalsContact O-C 3.28Å; A255-R258 WeakPolarHBondContact O-CA 3.41Å; A255-R258 PolarHBondContact O-N 2.64Å; A255-S259 PolarHBondContact O-N 3.32Å; A255-G260 WeakPolarHBondContact O-CA 3.42Å; A255-G260 PolarHBondContact O-N 3.43Å; A255-V262 HydrophobicContact CB-CB 4.46Å; A255-V262 HydrophobicContact CB-CG1 3.91Å; A255-V262 HydrophobicContact CB-CG2 3.8Å; A255-I279 HydrophobicContact CB-CD1 3.45Å; A255-I279 VanDerWaalsContact CB-CD1 3.45Å; A255-I279 HydrophobicContact CB-CG1 3.83Å; A255-I279 HydrophobicContact CB-CG2 4.18Å; A255-I462 HydrophobicContact CB-CD1 4.1Å
256	L	95.2	Very high	94.7	Very high	23 Å²	23	25.4 Å²	25.4	12%	0.12	13%	0.13	C	C	.	.	H	α-helix	trans	-66	-42.4	174.7	-61.9	-177.1	0	0	0	112	L232 V252 C253 L254 R258 S259 I279 A282 Y283	L232-L256 HydrophobicContact CD2-CD1 3.74Å; V252-L256 HydrophobicContact CG1-CD1 4.36Å; V252-L256 HydrophobicContact CG1-CG 4.42Å; V252-L256 WeakPolarHBondContact O-CG 3.24Å; V252-L256 PolarHBondContact O-N 2.82Å; C253-L256 PolarHBondContact O-N 3.47Å; L254-L256 VanDerWaalsContact C-N 3.35Å; L256-R258 PolarHBondContact O-N 2.83Å; L256-S259 PolarHBondContact O-N 3.03Å; L256-I279 HydrophobicContact CD2-CG2 4.46Å; L256-A282 HydrophobicContact CD1-CB 4.21Å; L256-A282 HydrophobicContact CD2-CB 3.66Å; L256-Y283 HydrophobicContact CD2-CD2 4.33Å; L256-Y283 HydrophobicContact CD2-CE2 3.5Å; L256-Y283 PolarHBondContact O-OH 2.88Å
257	K	93.1	Very high	94.4	Very high	114 Å²	114	23.9 Å²	23.9	50%	0.496	12%	0.118	S	C	.	.	H	α-helix	trans	-57.8	-34.2	171.7	-72.1	-177.6	180	-175.2	0	111.5	C253 L254 S259	C253-K257 WeakPolarHBondContact O-CG 3.34Å; C253-K257 PolarHBondContact O-N 3.31Å; L254-K257 PolarHBondContact O-N 3.42Å; K257-S259 PolarHBondContact O-N 2.86Å
258	R	94.1	Very high	94	Very high	47 Å²	47	24.8 Å²	24.8	18%	0.177	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	17.8	174.4	-67.4	174.7	177	178.8	-3.9	113.7	L254 A255 L256 G260 R261 V262 E457 K458 S459 M461	L254-R258 HydrophobicContact CD1-CG 4.49Å; L254-R258 WeakPolarHBondContact O-CB 3.1Å; L254-R258 WeakPolarHBondContact O-CG 3.46Å; L254-R258 PolarHBondContact O-N 2.94Å; A255-R258 CarbonylContact O-C 3.59Å; A255-R258 VanDerWaalsContact O-C 3.28Å; A255-R258 WeakPolarHBondContact O-CA 3.41Å; A255-R258 PolarHBondContact O-N 2.64Å; L256-R258 PolarHBondContact O-N 2.83Å; R258-G260 PolarHBondContact O-N 3.47Å; R258-R261 PolarHBondContact O-N 2.78Å; R258-V262 HydrophobicContact CB-CG1 3.82Å; R258-V262 HydrophobicContact CG-CG1 4.49Å; R258-E457 PolarHBondContact NH2-O 3.08Å; R258-K458 VanDerWaalsContact NH2-C 3.26Å; R258-K458 PolarHBondContact NH2-O 2.74Å; R258-K458 VanDerWaalsContact NH2-O 3.15Å; R258-S459 VanDerWaalsContact CD-O 3.27Å; R258-S459 WeakPolarHBondContact CD-O 3.48Å; R258-S459 VanDerWaalsContact CZ-O 3.29Å; R258-S459 PolarHBondContact NE-O 3.16Å; R258-M461 PolarHBondContact NH1-O 3.16Å
259	S	95.5	Very high	93.3	Very high	64 Å²	64	25 Å²	25	45%	0.448	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	33.8	175.6	-67.4	0	0	0	0	113.6	A255 L256 K257 R261 R392	A255-S259 PolarHBondContact O-N 3.32Å; L256-S259 PolarHBondContact O-N 3.03Å; K257-S259 PolarHBondContact O-N 2.86Å; S259-R261 PolarHBondContact O-N 2.85Å; S259-R392 VanDerWaalsContact C-NH1 3.28Å; S259-R392 VanDerWaalsContact CB-NH1 3.35Å; S259-R392 WeakPolarHBondContact O-CD 3.37Å; S259-R392 PolarHBondContact O-NH1 2.75Å
260	G	96.4	Very high	92.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	21.9	177	0	0	0	0	0	114.3	A255 R258 Y283 R392 V393	A255-G260 WeakPolarHBondContact O-CA 3.42Å; A255-G260 PolarHBondContact O-N 3.43Å; R258-G260 PolarHBondContact O-N 3.47Å; G260-Y283 PolarHBondContact N-OH 2.77Å; G260-R392 CarbonylContact O-C 3.57Å; G260-R392 WeakPolarHBondContact O-CA 3.42Å; G260-V393 CarbonylContact O-C 3.6Å; G260-V393 PolarHBondContact O-N 2.92Å; G260-V393 VanDerWaalsContact O-O 3.12Å
261	R	98	Very high	92.6	Very high	47 Å²	47	21.2 Å²	21.2	18%	0.177	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	93.2	172.1	-60.9	-166.4	80.7	85.8	-2.1	108.8	R258 S259 L387 A390 K391 V393 A414 I415	R258-R261 PolarHBondContact O-N 2.78Å; S259-R261 PolarHBondContact O-N 2.85Å; R261-L387 PolarHBondContact NH2-O 3.12Å; R261-A390 PolarHBondContact NH1-O 3.44Å; R261-K391 PolarHBondContact NH1-O 2.97Å; R261-V393 CarbonylContact C-O 3.59Å; R261-V393 VanDerWaalsContact CA-O 3.26Å; R261-V393 WeakPolarHBondContact CA-O 3.31Å; R261-V393 VanDerWaalsContact NH2-CG2 3.28Å; R261-A414 PolarHBondContact NH2-O 2.88Å; R261-I415 VanDerWaalsContact C-CG2 3.42Å; R261-I415 HydrophobicContact CB-CG2 3.86Å; R261-I415 PolarHBondContact NE-O 3.44Å; R261-I415 VanDerWaalsContact O-CG2 3.25Å; R261-I415 WeakPolarHBondContact O-CG2 3.48Å
262	V	97.9	Very high	92.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.4	-171.8	-68.2	0	0	0	0	113.2	A255 R258 L264 V393 I394 L395 I415 I460 I462	A255-V262 HydrophobicContact CB-CB 4.46Å; A255-V262 HydrophobicContact CB-CG1 3.91Å; A255-V262 HydrophobicContact CB-CG2 3.8Å; R258-V262 HydrophobicContact CB-CG1 3.82Å; R258-V262 HydrophobicContact CG-CG1 4.49Å; V262-L264 HydrophobicContact CG2-CD2 4.14Å; V262-L264 HydrophobicContact CG2-CG 4.29Å; V262-V393 PolarHBondContact N-O 3.35Å; V262-I394 HydrophobicContact CG2-CG2 4.34Å; V262-L395 PolarHBondContact O-N 2.91Å; V262-I415 VanDerWaalsContact C-CD1 3.48Å; V262-I460 WeakPolarHBondContact CA-O 3.47Å; V262-I462 HydrophobicContact CB-CD1 4.46Å; V262-I462 HydrophobicContact CG1-CD1 4.16Å
263	L	97.5	Very high	92.4	Very high	5 Å²	5	24 Å²	24	3%	0.026	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	108.7	162.8	174.4	62.9	0	0	0	107.8	A265 L395 P400 I415 I460 M461 I462	L263-A265 HydrophobicContact CD2-CB 4.43Å; L263-A265 HydrophobicContact CG-CB 4.13Å; L263-A265 PolarHBondContact O-N 3.42Å; L263-L395 CarbonylContact C-O 3.51Å; L263-L395 WeakPolarHBondContact CA-O 3.32Å; L263-L395 HydrophobicContact CD1-CB 3.71Å; L263-P400 HydrophobicContact CD1-CB 4.38Å; L263-P400 HydrophobicContact CD2-CB 3.81Å; L263-P400 HydrophobicContact CD2-CG 4.35Å; L263-I415 HydrophobicContact CB-CD1 3.52Å; L263-I460 PolarHBondContact N-O 2.82Å; L263-M461 HydrophobicContact CB-CG 4.48Å; L263-M461 HydrophobicContact CD2-CB 4.45Å; L263-M461 HydrophobicContact CD2-CG 4.02Å; L263-M461 HydrophobicContact CD2-SD 4.07Å; L263-M461 HydrophobicContact CG-CG 4.26Å; L263-M461 WeakPolarHBondContact O-CA 3.4Å; L263-I462 PolarHBondContact O-N 3.2Å
264	L	97.3	Very high	92.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	96.2	168.7	-61	-175.4	0	0	0	108.3	V262 K272 Q275 I279 I394 L395 L396 S397 I462	V262-L264 HydrophobicContact CG2-CD2 4.14Å; V262-L264 HydrophobicContact CG2-CG 4.29Å; L264-K272 WeakPolarHBondContact O-CD 2.97Å; L264-Q275 HydrophobicContact CD1-CB 4.4Å; L264-Q275 HydrophobicContact CD1-CG 4.15Å; L264-I279 HydrophobicContact CD1-CD1 3.84Å; L264-I279 HydrophobicContact CD2-CD1 4.3Å; L264-I279 HydrophobicContact CG-CD1 4.49Å; L264-I394 HydrophobicContact CD1-CG2 4.01Å; L264-I394 HydrophobicContact CG-CG2 4.27Å; L264-L395 PolarHBondContact N-O 3.19Å; L264-L396 HydrophobicContact CB-CD2 3.77Å; L264-L396 HydrophobicContact CD1-CD2 3.63Å; L264-L396 HydrophobicContact CG-CD2 4.02Å; L264-S397 PolarHBondContact O-N 2.92Å; L264-S397 VanDerWaalsContact O-N 3.11Å; L264-I462 HydrophobicContact CD2-CB 4Å; L264-I462 HydrophobicContact CD2-CD1 3.88Å; L264-I462 HydrophobicContact CD2-CG1 4.32Å; L264-I462 HydrophobicContact CD2-CG2 4.46Å
265	A	94.5	Very high	92.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.			trans	-101.5	17.6	-177.5	0	0	0	0	0	113.8	L263 S397 P400 M461 I462 R463	L263-A265 HydrophobicContact CD2-CB 4.43Å; L263-A265 HydrophobicContact CG-CB 4.13Å; L263-A265 PolarHBondContact O-N 3.42Å; A265-S397 VanDerWaalsContact CA-O 3.23Å; A265-S397 WeakPolarHBondContact CA-O 3.31Å; A265-P400 HydrophobicContact CB-CG 4.05Å; A265-M461 HydrophobicContact CB-CG 3.7Å; A265-M461 HydrophobicContact CB-SD 3.84Å; A265-I462 WeakPolarHBondContact CA-O 3.29Å; A265-I462 PolarHBondContact N-O 2.93Å; A265-R463 HydrophobicContact CB-CB 4.12Å; A265-R463 HydrophobicContact CB-CG 4.31Å; A265-R463 WeakPolarHBondContact O-CG 3.27Å
266	D	91.6	Very high	92.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-56.4	140.1	173.1	-71.8	-2.8	0	0	0	109.9	L270 K272 R463 R464	D266-L270 HydrophobicContact CB-CB 3.89Å; D266-L270 HydrophobicContact CB-CD1 3.88Å; D266-L270 HydrophobicContact CB-CG 4.47Å; D266-K272 HydrophobicContact CB-CG 4.14Å; D266-K272 WeakPolarHBondContact O-CD 3.41Å; D266-K272 PolarHBondContact O-NZ 2.94Å; D266-R463 VanDerWaalsContact OD1-C 3.29Å; D266-R463 VanDerWaalsContact OD1-CA 3.23Å; D266-R463 WeakPolarHBondContact OD1-CA 3.36Å; D266-R464 WeakPolarHBondContact OD1-CD 3.11Å; D266-R464 PolarHBondContact OD1-N 2.84Å; D266-R464 IonicContact OD1-NH1 3.16Å; D266-R464 WeakPolarHBondContact OD2-CD 3.48Å; D266-R464 IonicContact OD2-NH1 2.74Å; D266-R464 PolarHBondContact OD2-NH1 2.85Å
267	D	85	Confident	92.5	Very high	38 Å²	38	21.1 Å²	21.1	20%	0.203	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-51.7	156.3	-179.2	-78.6	-9.1	0	0	0	112.6	G269 L270 K272 R463 R464 V465 K466	D267-G269 PolarHBondContact O-N 3.04Å; D267-L270 HydrophobicContact CB-CD1 4.01Å; D267-L270 HydrophobicContact CB-CG 4.25Å; D267-L270 WeakPolarHBondContact O-CB 3.5Å; D267-L270 PolarHBondContact O-N 2.71Å; D267-L270 VanDerWaalsContact O-N 3.08Å; D267-K272 PolarHBondContact O-NZ 3.13Å; D267-R463 IonicContact OD1-NH2 3.43Å; D267-R464 PolarHBondContact N-O 2.97Å; D267-V465 WeakPolarHBondContact OD2-CA 3.37Å; D267-V465 WeakPolarHBondContact OD2-CB 3.43Å; D267-K466 HydrophobicContact CB-CG 3.97Å; D267-K466 PolarHBondContact OD2-N 3.29Å; D267-K466 VanDerWaalsContact OD2-N 3.1Å
268	M	80.5	Confident	92.7	Very high	24 Å²	24	15.7 Å²	15.7	12%	0.118	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	133.3	176.8	-179.5	174.9	62.2	0	0	110.6	K466 L613 L643	M268-K466 WeakPolarHBondContact O-CE 3.38Å; M268-L613 HydrophobicContact CE-CB 3.81Å; M268-L613 HydrophobicContact CE-CD2 3.82Å; M268-L613 HydrophobicContact CE-CG 4.27Å; M268-L613 HydrophobicContact SD-CD2 3.99Å; M268-L643 HydrophobicContact CG-CD2 4.3Å
269	G	78.4	Confident	92.9	Very high	9 Å²	9	13.5 Å²	13.5	9%	0.093	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	0.9	-177.1	0	0	0	0	0	115.7	D267 G271 R477	D267-G269 PolarHBondContact O-N 3.04Å; G269-G271 PolarHBondContact O-N 3.18Å; G269-R477 VanDerWaalsContact C-NH2 3.31Å; G269-R477 PolarHBondContact O-NE 3.25Å; G269-R477 PolarHBondContact O-NH1 2.66Å; G269-R477 VanDerWaalsContact O-NH1 3.12Å; G269-R477 PolarHBondContact O-NH2 3.46Å
270	L	84.8	Confident	93	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	6%	0.058	C	C	.	.	S	Bend	trans	-80.6	14.5	171.9	-66.5	-172.4	0	0	0	114.1	F247 Q248 D266 D267 R464 K466 V469 L473	F247-L270 HydrophobicContact CE2-CB 4.05Å; F247-L270 HydrophobicContact CZ-CB 4.07Å; F247-L270 HydrophobicContact CZ-CD2 4.06Å; F247-L270 WeakPolarHBondContact CZ-O 3.27Å; Q248-L270 PolarHBondContact NE2-O 2.88Å; D266-L270 HydrophobicContact CB-CB 3.89Å; D266-L270 HydrophobicContact CB-CD1 3.88Å; D266-L270 HydrophobicContact CB-CG 4.47Å; D267-L270 HydrophobicContact CB-CD1 4.01Å; D267-L270 HydrophobicContact CB-CG 4.25Å; D267-L270 WeakPolarHBondContact O-CB 3.5Å; D267-L270 PolarHBondContact O-N 2.71Å; D267-L270 VanDerWaalsContact O-N 3.08Å; L270-R464 HydrophobicContact CD1-CB 4.19Å; L270-R464 VanDerWaalsContact CD1-O 3.27Å; L270-R464 WeakPolarHBondContact CD1-O 3.24Å; L270-K466 HydrophobicContact CD1-CG 4.42Å; L270-K466 HydrophobicContact CD2-CG 3.79Å; L270-K466 HydrophobicContact CG-CG 4.09Å; L270-V469 HydrophobicContact CD1-CG2 4.09Å; L270-V469 HydrophobicContact CD2-CG2 3.65Å; L270-L473 HydrophobicContact CD2-CD1 3.44Å; L270-L473 VanDerWaalsContact CD2-CD1 3.44Å; L270-L473 HydrophobicContact CD2-CD2 3.93Å; L270-L473 HydrophobicContact CD2-CG 4.2Å
271	G	87.7	Confident	93	Very high	16 Å²	16	10.8 Å²	10.8	17%	0.165	6%	0.061	C	C	.	.			trans	69.6	40	177.7	0	0	0	0	0	114.4	G269 T273 I274 Q275	G269-G271 PolarHBondContact O-N 3.18Å; G271-T273 PolarHBondContact O-N 2.87Å; G271-I274 WeakPolarHBondContact O-CG2 3.4Å; G271-I274 PolarHBondContact O-N 3.05Å; G271-Q275 WeakPolarHBondContact O-CB 3.34Å; G271-Q275 PolarHBondContact O-N 3.45Å; G271-Q275 VanDerWaalsContact O-N 3.12Å
272	K	92.8	Very high	93	Very high	14 Å²	14	9.2 Å²	9.2	6%	0.061	6%	0.058	C	C	.	.	H	α-helix	trans	-55	-39.1	175.5	-71.6	-171.8	-69.9	-71.9	0	112.7	L264 D266 D267 Q275 S276 L396	L264-K272 WeakPolarHBondContact O-CD 2.97Å; D266-K272 HydrophobicContact CB-CG 4.14Å; D266-K272 WeakPolarHBondContact O-CD 3.41Å; D266-K272 PolarHBondContact O-NZ 2.94Å; D267-K272 PolarHBondContact O-NZ 3.13Å; K272-Q275 PolarHBondContact O-N 2.96Å; K272-S276 VanDerWaalsContact O-CB 3.29Å; K272-S276 WeakPolarHBondContact O-CB 3.22Å; K272-S276 PolarHBondContact O-N 2.79Å; K272-S276 PolarHBondContact O-OG 3.21Å; K272-L396 HydrophobicContact CD-CB 4.32Å
273	T	93.6	Very high	92.9	Very high	45 Å²	45	9.8 Å²	9.8	28%	0.276	6%	0.06	S	C	.	.	H	α-helix	trans	-58.5	-57.8	179.9	-52.3	0	0	0	0	111.3	G271 Q275 S276 L277 W301 Q304	G271-T273 PolarHBondContact O-N 2.87Å; T273-Q275 VanDerWaalsContact C-N 3.32Å; T273-Q275 PolarHBondContact O-N 2.96Å; T273-S276 PolarHBondContact O-N 2.87Å; T273-S276 VanDerWaalsContact O-N 3.15Å; T273-S276 PolarHBondContact O-OG 3.42Å; T273-L277 PolarHBondContact O-N 3.03Å; T273-W301 HydrophobicContact CG2-CD2 4.36Å; T273-W301 HydrophobicContact CG2-CE3 4.12Å; T273-W301 HydrophobicContact CG2-CH2 3.77Å; T273-W301 HydrophobicContact CG2-CZ2 3.97Å; T273-W301 HydrophobicContact CG2-CZ3 3.84Å; T273-Q304 HydrophobicContact CG2-CB 4.38Å; T273-Q304 HydrophobicContact CG2-CG 4.29Å
274	I	93.4	Very high	92.7	Very high	19 Å²	19	14.2 Å²	14.2	10%	0.097	8%	0.077	C	C	.	.	H	α-helix	trans	-62.4	-38.8	179.8	-167.9	172.1	0	0	0	111.9	L240 T243 L244 G271 S276 L277 A278 W308	L240-I274 HydrophobicContact CD1-CD1 3.69Å; L240-I274 HydrophobicContact CD1-CG1 3.3Å; T243-I274 HydrophobicContact CG2-CD1 3.84Å; L244-I274 HydrophobicContact CD2-CD1 4.35Å; L244-I274 HydrophobicContact CD2-CG1 4.02Å; L244-I274 HydrophobicContact CD2-CG2 4Å; G271-I274 WeakPolarHBondContact O-CG2 3.4Å; G271-I274 PolarHBondContact O-N 3.05Å; I274-S276 VanDerWaalsContact C-N 3.34Å; I274-S276 PolarHBondContact O-N 3.01Å; I274-L277 PolarHBondContact O-N 3.4Å; I274-A278 PolarHBondContact O-N 3.37Å; I274-W308 HydrophobicContact CD1-CD2 3.93Å; I274-W308 HydrophobicContact CD1-CE3 4.24Å; I274-W308 HydrophobicContact CD1-CH2 4.04Å; I274-W308 HydrophobicContact CD1-CZ2 3.67Å; I274-W308 HydrophobicContact CD1-CZ3 4.29Å; I274-W308 HydrophobicContact CG1-CD2 4.35Å
275	Q	95.3	Very high	92.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.8	-40.6	175.7	-169.5	178.9	44.9	0	0	112	Q248 V252 L264 G271 K272 T273 A278 I279	Q248-Q275 PolarHBondContact O-NE2 2.72Å; V252-Q275 HydrophobicContact CG2-CG 3.71Å; L264-Q275 HydrophobicContact CD1-CB 4.4Å; L264-Q275 HydrophobicContact CD1-CG 4.15Å; G271-Q275 WeakPolarHBondContact O-CB 3.34Å; G271-Q275 PolarHBondContact O-N 3.45Å; G271-Q275 VanDerWaalsContact O-N 3.12Å; K272-Q275 PolarHBondContact O-N 2.96Å; T273-Q275 VanDerWaalsContact C-N 3.32Å; T273-Q275 PolarHBondContact O-N 2.96Å; Q275-A278 WeakPolarHBondContact O-CB 3.37Å; Q275-A278 PolarHBondContact O-N 3.32Å; Q275-I279 HydrophobicContact CG-CD1 4.46Å; Q275-I279 WeakPolarHBondContact O-CG1 3.26Å; Q275-I279 PolarHBondContact O-N 3.31Å; Q275-I279 VanDerWaalsContact O-N 3.07Å
276	S	98.2	Very high	92.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.1	-37.7	178.1	76.8	0	0	0	0	112.5	K272 T273 I274 A278 I279 A280 W301	K272-S276 VanDerWaalsContact O-CB 3.29Å; K272-S276 WeakPolarHBondContact O-CB 3.22Å; K272-S276 PolarHBondContact O-N 2.79Å; K272-S276 PolarHBondContact O-OG 3.21Å; T273-S276 PolarHBondContact O-N 2.87Å; T273-S276 VanDerWaalsContact O-N 3.15Å; T273-S276 PolarHBondContact O-OG 3.42Å; I274-S276 VanDerWaalsContact C-N 3.34Å; I274-S276 PolarHBondContact O-N 3.01Å; S276-A278 VanDerWaalsContact C-N 3.33Å; S276-I279 PolarHBondContact O-N 3.2Å; S276-A280 WeakPolarHBondContact O-CB 3.42Å; S276-A280 PolarHBondContact O-N 3.21Å; S276-W301 VanDerWaalsContact OG-CH2 3.31Å; S276-W301 WeakPolarHBondContact OG-CH2 3.33Å
277	L	97.7	Very high	92.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.8	-37.8	174.5	-69.4	179.7	0	0	0	111.2	T273 I274 A280 S281 W301 Q304 I305 L309	T273-L277 PolarHBondContact O-N 3.03Å; I274-L277 PolarHBondContact O-N 3.4Å; L277-A280 PolarHBondContact O-N 3.42Å; L277-S281 WeakPolarHBondContact O-CB 3.5Å; L277-S281 PolarHBondContact O-N 2.97Å; L277-S281 PolarHBondContact O-OG 2.86Å; L277-W301 HydrophobicContact CD2-CE3 4.4Å; L277-W301 HydrophobicContact CD2-CZ3 3.92Å; L277-W301 HydrophobicContact CG-CZ3 4.16Å; L277-Q304 HydrophobicContact CD1-CB 4.13Å; L277-I305 HydrophobicContact CD1-CG1 4.41Å; L277-I305 HydrophobicContact CD2-CG1 3.78Å; L277-L309 HydrophobicContact CB-CD1 4.39Å; L277-L309 HydrophobicContact CD2-CD1 4.19Å
278	A	97.5	Very high	93.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-39.7	174.1	0	0	0	0	0	112.4	I236 L240 L244 V252 I274 Q275 S276 S281 A282	I236-A278 HydrophobicContact CD1-CB 4.21Å; I236-A278 HydrophobicContact CG2-CB 4.15Å; L240-A278 HydrophobicContact CD2-CB 3.93Å; L240-A278 HydrophobicContact CG-CB 4.22Å; L244-A278 HydrophobicContact CD1-CB 3.93Å; V252-A278 HydrophobicContact CG2-CB 3.95Å; I274-A278 PolarHBondContact O-N 3.37Å; Q275-A278 WeakPolarHBondContact O-CB 3.37Å; Q275-A278 PolarHBondContact O-N 3.32Å; S276-A278 VanDerWaalsContact C-N 3.33Å; A278-S281 PolarHBondContact O-OG 3.16Å; A278-A282 PolarHBondContact O-N 3.1Å
279	I	98	Very high	93.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.5	-42.2	173.9	-61.6	159.5	0	0	0	110.6	V252 A255 L256 L264 Q275 S276 A282 Y283 I394	V252-I279 HydrophobicContact CB-CG1 4.27Å; V252-I279 HydrophobicContact CG1-CG1 3.96Å; V252-I279 HydrophobicContact CG2-CG1 4.14Å; A255-I279 HydrophobicContact CB-CD1 3.45Å; A255-I279 VanDerWaalsContact CB-CD1 3.45Å; A255-I279 HydrophobicContact CB-CG1 3.83Å; A255-I279 HydrophobicContact CB-CG2 4.18Å; L256-I279 HydrophobicContact CD2-CG2 4.46Å; L264-I279 HydrophobicContact CD1-CD1 3.84Å; L264-I279 HydrophobicContact CD2-CD1 4.3Å; L264-I279 HydrophobicContact CG-CD1 4.49Å; Q275-I279 HydrophobicContact CG-CD1 4.46Å; Q275-I279 WeakPolarHBondContact O-CG1 3.26Å; Q275-I279 PolarHBondContact O-N 3.31Å; Q275-I279 VanDerWaalsContact O-N 3.07Å; S276-I279 PolarHBondContact O-N 3.2Å; I279-A282 PolarHBondContact O-N 2.79Å; I279-Y283 HydrophobicContact CG2-CD2 4.4Å; I279-Y283 HydrophobicContact CG2-CE2 4.16Å; I279-Y283 VanDerWaalsContact O-CD2 3.24Å; I279-Y283 WeakPolarHBondContact O-CD2 3.25Å; I279-I394 HydrophobicContact CB-CD1 3.93Å; I279-I394 HydrophobicContact CG2-CD1 3.63Å; I279-I394 HydrophobicContact CG2-CG1 4.09Å
280	A	98	Very high	94.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.1	-37.9	-178.6	0	0	0	0	0	112.7	S276 L277 Y283 Y284 W287 L289 V363 I365 I394	S276-A280 WeakPolarHBondContact O-CB 3.42Å; S276-A280 PolarHBondContact O-N 3.21Å; L277-A280 PolarHBondContact O-N 3.42Å; A280-Y283 CarbonylContact O-C 3.55Å; A280-Y283 PolarHBondContact O-N 3.17Å; A280-Y283 VanDerWaalsContact O-N 3.13Å; A280-Y284 PolarHBondContact O-N 3.1Å; A280-W287 HydrophobicContact CB-CZ2 4.48Å; A280-W287 PolarHBondContact O-NE1 2.89Å; A280-L289 HydrophobicContact CB-CD1 4.41Å; A280-V363 HydrophobicContact CB-CG1 4.2Å; A280-I365 HydrophobicContact CB-CD1 4.05Å; A280-I394 HydrophobicContact CB-CD1 4.27Å
281	S	96.3	Very high	95.5	Very high	7 Å²	7	20.2 Å²	20.2	5%	0.049	11%	0.114	C	C	.	.	H	α-helix	trans	-67.7	-34.7	176.6	64.8	0	0	0	0	112.3	L277 A278 Y283 Y284	L277-S281 WeakPolarHBondContact O-CB 3.5Å; L277-S281 PolarHBondContact O-N 2.97Å; L277-S281 PolarHBondContact O-OG 2.86Å; A278-S281 PolarHBondContact O-OG 3.16Å; S281-Y283 PolarHBondContact O-N 3.23Å; S281-Y284 VanDerWaalsContact O-CB 3.25Å; S281-Y284 WeakPolarHBondContact O-CB 3.34Å; S281-Y284 PolarHBondContact O-N 2.98Å
282	A	96.3	Very high	96	Very high	14 Å²	14	19.5 Å²	19.5	12%	0.116	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-13.6	171.1	0	0	0	0	0	114.4	R235 I236 L256 A278 I279	R235-A282 HydrophobicContact CB-CB 3.99Å; R235-A282 VanDerWaalsContact O-CA 3.24Å; R235-A282 WeakPolarHBondContact O-CA 3.36Å; I236-A282 HydrophobicContact CG1-CB 4.07Å; L256-A282 HydrophobicContact CD1-CB 4.21Å; L256-A282 HydrophobicContact CD2-CB 3.66Å; A278-A282 PolarHBondContact O-N 3.1Å; I279-A282 PolarHBondContact O-N 2.79Å
283	Y	96.2	Very high	96.2	Very high	13 Å²	13	18.8 Å²	18.8	5%	0.051	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	27.8	173	-61.8	-65.5	0	0	0	112.5	L256 G260 I279 A280 S281 S285 E286 W287 R392	L256-Y283 HydrophobicContact CD2-CD2 4.33Å; L256-Y283 HydrophobicContact CD2-CE2 3.5Å; L256-Y283 PolarHBondContact O-OH 2.88Å; G260-Y283 PolarHBondContact N-OH 2.77Å; I279-Y283 HydrophobicContact CG2-CD2 4.4Å; I279-Y283 HydrophobicContact CG2-CE2 4.16Å; I279-Y283 VanDerWaalsContact O-CD2 3.24Å; I279-Y283 WeakPolarHBondContact O-CD2 3.25Å; A280-Y283 CarbonylContact O-C 3.55Å; A280-Y283 PolarHBondContact O-N 3.17Å; A280-Y283 VanDerWaalsContact O-N 3.13Å; S281-Y283 PolarHBondContact O-N 3.23Å; Y283-S285 PolarHBondContact O-N 2.82Å; Y283-E286 WeakPolarHBondContact O-CA 3.41Å; Y283-E286 WeakPolarHBondContact O-CB 3.35Å; Y283-E286 PolarHBondContact O-N 3.1Å; Y283-W287 VanDerWaalsContact O-CD1 3.28Å; Y283-R392 HydrophobicContact CD1-CG 4.34Å; Y283-R392 HydrophobicContact CD2-CG 3.84Å; Y283-R392 HydrophobicContact CE2-CG 4.3Å; Y283-R392 HydrophobicContact CG-CG 3.85Å
284	Y	94.3	Very high	96.1	Very high	98 Å²	98	17 Å²	17	38%	0.384	9%	0.093	S	C	.	.	G	3₁₀ helix	trans	-53.4	-37.3	-179.5	-178.8	-110.4	0	0	0	113.4	A280 S281 E286 W287 L313	A280-Y284 PolarHBondContact O-N 3.1Å; S281-Y284 VanDerWaalsContact O-CB 3.25Å; S281-Y284 WeakPolarHBondContact O-CB 3.34Å; S281-Y284 PolarHBondContact O-N 2.98Å; Y284-E286 PolarHBondContact O-N 3.49Å; Y284-W287 AromaticContact CD2-CD2 3.77Å; Y284-W287 HydrophobicContact CD2-CD2 3.77Å; Y284-W287 AromaticContact CD2-CE2 3.98Å; Y284-W287 AromaticContact CD2-CE3 3.77Å; Y284-W287 HydrophobicContact CD2-CE3 3.77Å; Y284-W287 HydrophobicContact CD2-CG 4.28Å; Y284-W287 HydrophobicContact CD2-CH2 4.23Å; Y284-W287 HydrophobicContact CD2-CZ2 4.22Å; Y284-W287 AromaticContact CD2-CZ3 3.98Å; Y284-W287 HydrophobicContact CD2-CZ3 3.98Å; Y284-W287 HydrophobicContact CE2-CD2 4.24Å; Y284-W287 AromaticContact CE2-CE3 3.78Å; Y284-W287 HydrophobicContact CE2-CE3 3.78Å; Y284-W287 AromaticContact CE2-CZ3 3.91Å; Y284-W287 HydrophobicContact CE2-CZ3 3.91Å; Y284-W287 WeakPolarHBondContact O-CB 3.49Å; Y284-W287 PolarHBondContact O-N 3.22Å; Y284-W287 VanDerWaalsContact O-N 3.12Å; Y284-L313 HydrophobicContact CD2-CD1 3.7Å; Y284-L313 HydrophobicContact CE2-CB 4.38Å; Y284-L313 HydrophobicContact CE2-CD1 3.94Å; Y284-L313 HydrophobicContact CG-CD1 4.27Å; Y284-L313 HydrophobicContact CG-CD2 4.41Å
285	S	93.8	Very high	96	Very high	113 Å²	113	16.9 Å²	16.9	79%	0.79	9%	0.093	S	C	*	.	G	3₁₀ helix	trans	-64.4	-10.2	176	66.4	0	0	0	0	114.7	Y283	Y283-S285 PolarHBondContact O-N 2.82Å
286	E	95.1	Very high	95.6	Very high	34 Å²	34	17 Å²	17	16%	0.159	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-107.9	6.5	-179.9	-51.9	-172.4	167	0	0	112.6	Y283 Y284 G362 V363 K391 R392	Y283-E286 WeakPolarHBondContact O-CA 3.41Å; Y283-E286 WeakPolarHBondContact O-CB 3.35Å; Y283-E286 PolarHBondContact O-N 3.1Å; Y284-E286 PolarHBondContact O-N 3.49Å; E286-G362 VanDerWaalsContact O-CA 3.27Å; E286-G362 WeakPolarHBondContact O-CA 3.18Å; E286-V363 HydrophobicContact CB-CG2 4.33Å; E286-K391 VanDerWaalsContact OE1-CE 3.29Å; E286-K391 WeakPolarHBondContact OE1-CE 3.24Å; E286-K391 IonicContact OE1-NZ 3.01Å; E286-K391 PolarHBondContact OE1-NZ 3.43Å; E286-K391 VanDerWaalsContact OE2-CD 3.3Å; E286-K391 WeakPolarHBondContact OE2-CD 3.1Å; E286-K391 IonicContact OE2-NZ 3.55Å; E286-R392 IonicContact OE1-CZ 3.07Å; E286-R392 IonicContact OE1-NE 3.56Å; E286-R392 IonicContact OE1-NH2 3.93Å; E286-R392 PolarHBondContact OE1-NH2 2.9Å; E286-R392 WeakPolarHBondContact OE2-CG 3.3Å; E286-R392 IonicContact OE2-CZ 2.65Å; E286-R392 IonicContact OE2-NE 2.74Å; E286-R392 PolarHBondContact OE2-NE 2.84Å; E286-R392 IonicContact OE2-NH2 3.45Å; E286-R392 PolarHBondContact OE2-NH2 3.04Å
287	W	94.2	Very high	95.2	Very high	34 Å²	34	18.2 Å²	18.2	13%	0.129	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-65.2	155.1	173.5	-75.8	27.9	0	0	0	110.6	A280 Y283 Y284 L289 L309 L315 P340 I341	A280-W287 HydrophobicContact CB-CZ2 4.48Å; A280-W287 PolarHBondContact O-NE1 2.89Å; Y283-W287 VanDerWaalsContact O-CD1 3.28Å; Y284-W287 AromaticContact CD2-CD2 3.77Å; Y284-W287 HydrophobicContact CD2-CD2 3.77Å; Y284-W287 AromaticContact CD2-CE2 3.98Å; Y284-W287 AromaticContact CD2-CE3 3.77Å; Y284-W287 HydrophobicContact CD2-CE3 3.77Å; Y284-W287 HydrophobicContact CD2-CG 4.28Å; Y284-W287 HydrophobicContact CD2-CH2 4.23Å; Y284-W287 HydrophobicContact CD2-CZ2 4.22Å; Y284-W287 AromaticContact CD2-CZ3 3.98Å; Y284-W287 HydrophobicContact CD2-CZ3 3.98Å; Y284-W287 HydrophobicContact CE2-CD2 4.24Å; Y284-W287 AromaticContact CE2-CE3 3.78Å; Y284-W287 HydrophobicContact CE2-CE3 3.78Å; Y284-W287 AromaticContact CE2-CZ3 3.91Å; Y284-W287 HydrophobicContact CE2-CZ3 3.91Å; Y284-W287 WeakPolarHBondContact O-CB 3.49Å; Y284-W287 PolarHBondContact O-N 3.22Å; Y284-W287 VanDerWaalsContact O-N 3.12Å; W287-L289 HydrophobicContact CD2-CB 3.64Å; W287-L289 HydrophobicContact CE3-CB 3.92Å; W287-L289 HydrophobicContact CG-CB 4.08Å; W287-L289 HydrophobicContact CH2-CB 4.37Å; W287-L289 HydrophobicContact CH2-CD2 3.71Å; W287-L289 HydrophobicContact CZ2-CB 4.12Å; W287-L289 HydrophobicContact CZ2-CD2 3.51Å; W287-L289 HydrophobicContact CZ2-CG 4.37Å; W287-L289 HydrophobicContact CZ3-CB 4.29Å; W287-L289 HydrophobicContact CZ3-CD2 4.34Å; W287-L309 HydrophobicContact CH2-CD1 4.2Å; W287-L309 HydrophobicContact CZ2-CD1 4.49Å; W287-L315 HydrophobicContact CH2-CD1 4.36Å; W287-L315 HydrophobicContact CZ3-CD1 4.15Å; W287-P340 HydrophobicContact CE3-CB 4.28Å; W287-I341 HydrophobicContact CE3-CD1 4.48Å; W287-I341 HydrophobicContact CE3-CG1 3.88Å; W287-I341 HydrophobicContact CH2-CD1 3.97Å; W287-I341 HydrophobicContact CH2-CG1 4Å; W287-I341 HydrophobicContact CZ3-CD1 3.48Å; W287-I341 VanDerWaalsContact CZ3-CD1 3.48Å; W287-I341 HydrophobicContact CZ3-CG1 3.3Å
288	P	94.4	Very high	95.1	Very high	18 Å²	18	18.7 Å²	18.7	12%	0.117	10%	0.103	C	C	.	.	P	Polyproline II helix	cis	-78.3	153.4	31.7	30.6	-37.9	0	0	0	115.5	F336 P340 Y361 G362 V363	P288-F336 HydrophobicContact CB-CZ 4.46Å; P288-F336 HydrophobicContact CG-CE1 4.05Å; P288-F336 HydrophobicContact CG-CE2 4.17Å; P288-F336 HydrophobicContact CG-CZ 3.5Å; P288-F336 VanDerWaalsContact CG-CZ 3.5Å; P288-P340 CarbonylContact C-O 3.49Å; P288-P340 VanDerWaalsContact CA-O 3.26Å; P288-P340 WeakPolarHBondContact CA-O 3.44Å; P288-P340 VanDerWaalsContact CB-O 3.3Å; P288-P340 WeakPolarHBondContact CB-O 3.5Å; P288-Y361 HydrophobicContact CB-CD1 3.81Å; P288-Y361 HydrophobicContact CB-CE1 4.11Å; P288-Y361 HydrophobicContact CG-CD1 3.87Å; P288-Y361 HydrophobicContact CG-CE1 4.39Å; P288-G362 PolarHBondContact O-N 2.71Å; P288-V363 PolarHBondContact O-N 2.84Å
289	L	97.1	Very high	94.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.4	177.8	173.3	63.2	0	0	0	110.7	A280 W287 I291 P340 I341 T342 V363 I365	A280-L289 HydrophobicContact CB-CD1 4.41Å; W287-L289 HydrophobicContact CD2-CB 3.64Å; W287-L289 HydrophobicContact CE3-CB 3.92Å; W287-L289 HydrophobicContact CG-CB 4.08Å; W287-L289 HydrophobicContact CH2-CB 4.37Å; W287-L289 HydrophobicContact CH2-CD2 3.71Å; W287-L289 HydrophobicContact CZ2-CB 4.12Å; W287-L289 HydrophobicContact CZ2-CD2 3.51Å; W287-L289 HydrophobicContact CZ2-CG 4.37Å; W287-L289 HydrophobicContact CZ3-CB 4.29Å; W287-L289 HydrophobicContact CZ3-CD2 4.34Å; L289-I291 HydrophobicContact CD1-CG1 4.34Å; L289-I291 HydrophobicContact CD2-CD1 4.13Å; L289-I291 HydrophobicContact CD2-CG1 4.21Å; L289-I291 HydrophobicContact CG-CG1 4.06Å; L289-P340 PolarHBondContact N-O 2.98Å; L289-I341 HydrophobicContact CB-CG1 4.32Å; L289-I341 HydrophobicContact CD2-CG1 4.44Å; L289-I341 HydrophobicContact CD2-CG2 4.41Å; L289-I341 WeakPolarHBondContact O-CA 3.15Å; L289-T342 PolarHBondContact O-N 3.22Å; L289-V363 WeakPolarHBondContact CA-O 3.07Å; L289-V363 HydrophobicContact CD1-CB 3.93Å; L289-V363 HydrophobicContact CD1-CG1 3.61Å; L289-I365 HydrophobicContact CD1-CD1 4.14Å; L289-I365 HydrophobicContact CD1-CG1 4.12Å
290	L	97.5	Very high	94.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.8	168.1	176.3	67.5	0	0	0	110.3	I292 T342 I344 L356 Y361 V363 V364 I365 I386	L290-I292 HydrophobicContact CD2-CD1 4.22Å; L290-I292 HydrophobicContact CD2-CG1 4.12Å; L290-I292 HydrophobicContact CG-CG1 4.12Å; L290-T342 CarbonylContact C-O 3.57Å; L290-T342 WeakPolarHBondContact CA-O 3.24Å; L290-T342 HydrophobicContact CD1-CG2 3.98Å; L290-I344 HydrophobicContact CD1-CG2 3.87Å; L290-L356 HydrophobicContact CD1-CD2 4.32Å; L290-Y361 HydrophobicContact CB-CD1 3.58Å; L290-Y361 HydrophobicContact CB-CD2 3.77Å; L290-Y361 HydrophobicContact CB-CE1 3.92Å; L290-Y361 HydrophobicContact CB-CE2 4.08Å; L290-Y361 HydrophobicContact CB-CG 3.48Å; L290-Y361 VanDerWaalsContact CB-CG 3.48Å; L290-Y361 HydrophobicContact CD1-CD2 4.47Å; L290-Y361 HydrophobicContact CD1-CE1 4.48Å; L290-Y361 HydrophobicContact CD1-CE2 4.02Å; L290-Y361 HydrophobicContact CD2-CD2 3.73Å; L290-Y361 HydrophobicContact CD2-CE2 3.96Å; L290-Y361 HydrophobicContact CD2-CG 4.28Å; L290-Y361 HydrophobicContact CG-CD2 4.21Å; L290-Y361 HydrophobicContact CG-CE2 4.25Å; L290-Y361 HydrophobicContact CG-CG 4.41Å; L290-V363 PolarHBondContact N-O 3.47Å; L290-V364 HydrophobicContact CB-CG1 4.46Å; L290-V364 HydrophobicContact CB-CG2 4.21Å; L290-V364 HydrophobicContact CD2-CG1 4.28Å; L290-V364 HydrophobicContact CD2-CG2 4.37Å; L290-V364 HydrophobicContact CG-CG1 4.45Å; L290-V364 CarbonylContact O-C 3.48Å; L290-V364 VanDerWaalsContact O-CA 3.3Å; L290-V364 WeakPolarHBondContact O-CA 3.27Å; L290-I365 PolarHBondContact O-N 2.96Å; L290-I386 HydrophobicContact CD2-CG2 3.86Å
291	I	98.6	Very high	94.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.5	171.8	-52.2	-173.8	0	0	0	108.6	L289 W301 I305 T342 I343 I344 I365	L289-I291 HydrophobicContact CD1-CG1 4.34Å; L289-I291 HydrophobicContact CD2-CD1 4.13Å; L289-I291 HydrophobicContact CD2-CG1 4.21Å; L289-I291 HydrophobicContact CG-CG1 4.06Å; I291-W301 HydrophobicContact CD1-CD2 4.35Å; I291-W301 HydrophobicContact CD1-CE3 3.62Å; I291-W301 HydrophobicContact CD1-CZ3 3.99Å; I291-W301 HydrophobicContact CG2-CD2 3.87Å; I291-W301 HydrophobicContact CG2-CE3 4.05Å; I291-W301 HydrophobicContact CG2-CG 4.2Å; I291-W301 HydrophobicContact CG2-CZ3 4.43Å; I291-I305 HydrophobicContact CD1-CD1 3.56Å; I291-I305 HydrophobicContact CD1-CG1 4.43Å; I291-T342 PolarHBondContact N-O 2.9Å; I291-I343 HydrophobicContact CB-CG1 4.29Å; I291-I343 HydrophobicContact CB-CG2 4.42Å; I291-I343 HydrophobicContact CD1-CG1 4.47Å; I291-I343 WeakPolarHBondContact O-CA 3.25Å; I291-I344 PolarHBondContact O-N 2.77Å; I291-I365 CarbonylContact C-O 3.52Å; I291-I365 WeakPolarHBondContact CA-O 3.32Å; I291-I365 HydrophobicContact CD1-CD1 4.31Å; I291-I365 HydrophobicContact CG1-CB 4.28Å; I291-I365 HydrophobicContact CG1-CD1 4.34Å; I291-I365 HydrophobicContact CG2-CB 4.38Å; I291-I365 HydrophobicContact CG2-CG2 4.45Å
292	I	98.3	Very high	94	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.1	173.2	-51.4	167.7	0	0	0	106.9	L290 I344 Y346 M349 V364 I365 A366 D367	L290-I292 HydrophobicContact CD2-CD1 4.22Å; L290-I292 HydrophobicContact CD2-CG1 4.12Å; L290-I292 HydrophobicContact CG-CG1 4.12Å; I292-I344 WeakPolarHBondContact CA-O 3.45Å; I292-I344 HydrophobicContact CG1-CG2 4.18Å; I292-Y346 HydrophobicContact CG2-CD1 3.64Å; I292-Y346 HydrophobicContact CG2-CD2 4.19Å; I292-Y346 HydrophobicContact CG2-CE1 3.55Å; I292-Y346 HydrophobicContact CG2-CE2 4.13Å; I292-Y346 HydrophobicContact CG2-CG 3.95Å; I292-M349 HydrophobicContact CD1-CG 4.05Å; I292-M349 HydrophobicContact CG1-CG 4.42Å; I292-M349 HydrophobicContact CG2-CB 4.4Å; I292-M349 HydrophobicContact CG2-CE 4.4Å; I292-M349 HydrophobicContact CG2-CG 4.48Å; I292-V364 HydrophobicContact CD1-CG1 4.16Å; I292-I365 PolarHBondContact N-O 3.05Å; I292-A366 HydrophobicContact CB-CB 4.36Å; I292-A366 CarbonylContact O-C 3.55Å; I292-A366 WeakPolarHBondContact O-CA 3.32Å; I292-D367 PolarHBondContact O-N 3.45Å
293	T	96.1	Very high	93.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	164	-171.9	-170	0	0	0	0	110.8	V297 R298 W301 I343 I344 S345 Y346 D367	T293-V297 HydrophobicContact CG2-CG2 4.29Å; T293-V297 WeakPolarHBondContact OG1-CG2 3.47Å; T293-R298 HydrophobicContact CG2-CB 4.32Å; T293-R298 HydrophobicContact CG2-CG 3.59Å; T293-W301 VanDerWaalsContact OG1-CD1 3.29Å; T293-W301 PolarHBondContact OG1-NE1 3.45Å; T293-W301 VanDerWaalsContact OG1-NE1 3.13Å; T293-I343 HydrophobicContact CG2-CG2 3.94Å; T293-I344 PolarHBondContact N-O 2.76Å; T293-S345 VanDerWaalsContact O-CA 3.26Å; T293-S345 WeakPolarHBondContact O-CA 3.3Å; T293-Y346 PolarHBondContact O-N 3.1Å; T293-D367 PolarHBondContact OG1-OD2 2.79Å
294	P	93	Very high	93.4	Very high	8 Å²	8	22.1 Å²	22.1	5%	0.052	12%	0.117	C	C	.	.			trans	-56.6	152.3	170.3	-25.5	35.1	0	0	0	112	S296 V297 E368 F371 D535	P294-S296 VanDerWaalsContact C-N 3.25Å; P294-S296 PolarHBondContact O-N 3.05Å; P294-V297 HydrophobicContact CB-CG2 4.12Å; P294-V297 HydrophobicContact CG-CG2 4.33Å; P294-V297 WeakPolarHBondContact O-CG2 3.43Å; P294-V297 PolarHBondContact O-N 2.92Å; P294-E368 HydrophobicContact CG-CB 4.01Å; P294-E368 HydrophobicContact CG-CG 4.21Å; P294-F371 HydrophobicContact CB-CE2 4.46Å; P294-F371 HydrophobicContact CG-CD2 4.36Å; P294-F371 HydrophobicContact CG-CE2 3.76Å; P294-F371 HydrophobicContact CG-CZ 4.38Å; P294-D535 HydrophobicContact CB-CB 4.04Å; P294-D535 WeakPolarHBondContact CB-OD2 3.29Å
295	S	90.4	Very high	93.5	Very high	15 Å²	15	17.4 Å²	17.4	11%	0.105	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-60.4	-38.4	-170.5	-64.7	0	0	0	0	112.3	V297 R298 S345 D535	S295-V297 VanDerWaalsContact C-N 3.33Å; S295-V297 PolarHBondContact O-N 3.3Å; S295-R298 PolarHBondContact O-NE 2.94Å; S295-S345 VanDerWaalsContact OG-CB 3.23Å; S295-S345 WeakPolarHBondContact OG-CB 3.43Å; S295-D535 PolarHBondContact N-OD2 2.96Å
296	S	87.7	Confident	93.5	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.021	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-71	-19.3	-174.2	58.6	0	0	0	0	115.3	P294 Y532 D535	P294-S296 VanDerWaalsContact C-N 3.25Å; P294-S296 PolarHBondContact O-N 3.05Å; S296-Y532 WeakPolarHBondContact OG-CD2 3.46Å; S296-D535 VanDerWaalsContact CB-OD2 3.28Å; S296-D535 WeakPolarHBondContact CB-OD2 3.49Å; S296-D535 PolarHBondContact N-OD2 2.93Å; S296-D535 PolarHBondContact OG-OD2 3.49Å
297	V	89.8	Confident	93.2	Very high	26 Å²	26	15.3 Å²	15.3	16%	0.158	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-110.3	5.7	-173.7	-64.6	0	0	0	0	113.8	T293 P294 S295 F299 S300 W301 Y532	T293-V297 HydrophobicContact CG2-CG2 4.29Å; T293-V297 WeakPolarHBondContact OG1-CG2 3.47Å; P294-V297 HydrophobicContact CB-CG2 4.12Å; P294-V297 HydrophobicContact CG-CG2 4.33Å; P294-V297 WeakPolarHBondContact O-CG2 3.43Å; P294-V297 PolarHBondContact O-N 2.92Å; S295-V297 VanDerWaalsContact C-N 3.33Å; S295-V297 PolarHBondContact O-N 3.3Å; V297-F299 VanDerWaalsContact C-N 3.29Å; V297-F299 PolarHBondContact O-N 3.1Å; V297-S300 WeakPolarHBondContact O-CB 3.45Å; V297-S300 PolarHBondContact O-N 2.95Å; V297-W301 PolarHBondContact O-N 3.43Å; V297-Y532 HydrophobicContact CG1-CD2 4.22Å; V297-Y532 HydrophobicContact CG1-CE2 3.81Å
298	R	93.8	Very high	93.1	Very high	10 Å²	10	15 Å²	15	4%	0.038	7%	0.073	C	C	.	.	H	α-helix	trans	-57.7	-40.9	-178.6	-67.4	-179.7	-65.8	126.8	-2.9	112.9	T293 S295 W301 R302 V322 V323 N324 I343 D484	T293-R298 HydrophobicContact CG2-CB 4.32Å; T293-R298 HydrophobicContact CG2-CG 3.59Å; S295-R298 PolarHBondContact O-NE 2.94Å; R298-W301 WeakPolarHBondContact O-CB 3.15Å; R298-W301 PolarHBondContact O-N 3.37Å; R298-R302 PolarHBondContact O-N 2.83Å; R298-V322 HydrophobicContact CB-CG1 4.01Å; R298-V323 VanDerWaalsContact NH1-C 3.34Å; R298-V323 PolarHBondContact NH1-O 3.27Å; R298-N324 PolarHBondContact NH1-OD1 3.14Å; R298-N324 PolarHBondContact NH2-OD1 2.78Å; R298-I343 HydrophobicContact CB-CG2 3.97Å; R298-I343 HydrophobicContact CG-CG2 4.14Å; R298-D484 IonicContact CZ-OD2 3.6Å; R298-D484 IonicContact NE-OD2 3.79Å; R298-D484 IonicContact NH2-OD1 3.69Å; R298-D484 IonicContact NH2-OD2 2.66Å; R298-D484 PolarHBondContact NH2-OD2 3.32Å
299	F	90.9	Very high	93.1	Very high	15 Å²	15	14.1 Å²	14.1	7%	0.066	7%	0.067	C	C	.	.	H	α-helix	trans	-74.7	-36.1	179.1	-72.2	-93.9	0	0	0	111.9	V297 W301 R302 D303 V322 D484 P485	V297-F299 VanDerWaalsContact C-N 3.29Å; V297-F299 PolarHBondContact O-N 3.1Å; F299-W301 VanDerWaalsContact C-N 3.28Å; F299-W301 PolarHBondContact O-N 3.21Å; F299-R302 WeakPolarHBondContact O-CB 3.49Å; F299-R302 PolarHBondContact O-N 3.24Å; F299-D303 WeakPolarHBondContact O-CB 3.46Å; F299-D303 PolarHBondContact O-N 3.46Å; F299-V322 HydrophobicContact CD2-CG1 4.27Å; F299-V322 HydrophobicContact CE1-CG1 4.25Å; F299-V322 HydrophobicContact CE2-CG1 3.82Å; F299-V322 HydrophobicContact CZ-CB 4.48Å; F299-V322 HydrophobicContact CZ-CG1 3.83Å; F299-D484 HydrophobicContact CD2-CB 4.01Å; F299-D484 HydrophobicContact CE2-CB 4.27Å; F299-D484 VanDerWaalsContact CE2-CG 3.45Å; F299-D484 WeakPolarHBondContact CE2-OD1 3.14Å; F299-P485 HydrophobicContact CD1-CG 4.01Å; F299-P485 HydrophobicContact CE1-CG 4.08Å; F299-P485 VanDerWaalsContact CG-CD 3.48Å; F299-P485 HydrophobicContact CG-CG 4.4Å
300	S	88.2	Confident	93	Very high	22 Å²	22	14.4 Å²	14.4	15%	0.154	7%	0.07	C	C	.	.	H	α-helix	trans	-56.9	-41.8	169.2	-177	0	0	0	0	111.9	V297 D303 Q304	V297-S300 WeakPolarHBondContact O-CB 3.45Å; V297-S300 PolarHBondContact O-N 2.95Å; S300-D303 PolarHBondContact O-N 2.84Å; S300-Q304 VanDerWaalsContact O-CG 3.29Å; S300-Q304 WeakPolarHBondContact O-CG 3.42Å; S300-Q304 PolarHBondContact O-N 3.32Å
301	W	94.3	Very high	92.7	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.019	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-45.5	174	-88.4	98.1	0	0	0	113.5	T273 S276 L277 I291 T293 V297 R298 F299 D303 Q304 I305 I343 I365 D367 L396	T273-W301 HydrophobicContact CG2-CD2 4.36Å; T273-W301 HydrophobicContact CG2-CE3 4.12Å; T273-W301 HydrophobicContact CG2-CH2 3.77Å; T273-W301 HydrophobicContact CG2-CZ2 3.97Å; T273-W301 HydrophobicContact CG2-CZ3 3.84Å; S276-W301 VanDerWaalsContact OG-CH2 3.31Å; S276-W301 WeakPolarHBondContact OG-CH2 3.33Å; L277-W301 HydrophobicContact CD2-CE3 4.4Å; L277-W301 HydrophobicContact CD2-CZ3 3.92Å; L277-W301 HydrophobicContact CG-CZ3 4.16Å; I291-W301 HydrophobicContact CD1-CD2 4.35Å; I291-W301 HydrophobicContact CD1-CE3 3.62Å; I291-W301 HydrophobicContact CD1-CZ3 3.99Å; I291-W301 HydrophobicContact CG2-CD2 3.87Å; I291-W301 HydrophobicContact CG2-CE3 4.05Å; I291-W301 HydrophobicContact CG2-CG 4.2Å; I291-W301 HydrophobicContact CG2-CZ3 4.43Å; T293-W301 VanDerWaalsContact OG1-CD1 3.29Å; T293-W301 PolarHBondContact OG1-NE1 3.45Å; T293-W301 VanDerWaalsContact OG1-NE1 3.13Å; V297-W301 PolarHBondContact O-N 3.43Å; R298-W301 WeakPolarHBondContact O-CB 3.15Å; R298-W301 PolarHBondContact O-N 3.37Å; F299-W301 VanDerWaalsContact C-N 3.28Å; F299-W301 PolarHBondContact O-N 3.21Å; W301-D303 PolarHBondContact O-N 2.81Å; W301-Q304 PolarHBondContact O-N 3.15Å; W301-I305 WeakPolarHBondContact O-CD1 3.31Å; W301-I305 VanDerWaalsContact O-CG1 3.25Å; W301-I305 WeakPolarHBondContact O-CG1 3.39Å; W301-I305 PolarHBondContact O-N 3.39Å; W301-I343 HydrophobicContact CB-CD1 4.02Å; W301-I343 HydrophobicContact CB-CG2 4.34Å; W301-I365 HydrophobicContact CH2-CG2 3.92Å; W301-I365 HydrophobicContact CZ2-CG2 4.41Å; W301-I365 HydrophobicContact CZ3-CD1 4.29Å; W301-D367 HydrophobicContact CZ2-CB 3.72Å; W301-D367 PolarHBondContact NE1-OD2 3.43Å; W301-L396 HydrophobicContact CH2-CD1 3.75Å; W301-L396 HydrophobicContact CZ2-CD1 3.74Å
302	R	93.9	Very high	92.3	Very high	34 Å²	34	26.5 Å²	26.5	13%	0.128	13%	0.129	C	C	.	.	H	α-helix	trans	-52.5	-47.1	174.7	175.2	-159.7	72.8	178.7	-2.3	110.6	R298 F299 I305 I306 L317 I320 V322 I343 E650	R298-R302 PolarHBondContact O-N 2.83Å; F299-R302 WeakPolarHBondContact O-CB 3.49Å; F299-R302 PolarHBondContact O-N 3.24Å; R302-I305 WeakPolarHBondContact O-CB 3.34Å; R302-I305 PolarHBondContact O-N 2.85Å; R302-I306 WeakPolarHBondContact O-CG1 3.15Å; R302-I306 PolarHBondContact O-N 3.37Å; R302-L317 HydrophobicContact CG-CD2 4Å; R302-I320 HydrophobicContact CB-CG2 4.48Å; R302-I320 HydrophobicContact CG-CD1 4.26Å; R302-I320 HydrophobicContact CG-CG2 4.19Å; R302-V322 HydrophobicContact CB-CG2 4.02Å; R302-V322 HydrophobicContact CG-CG2 4.2Å; R302-I343 HydrophobicContact CB-CD1 3.95Å; R302-E650 IonicContact CZ-OE1 3.39Å; R302-E650 IonicContact NH2-OE1 3.11Å; R302-E650 PolarHBondContact NH2-OE1 2.8Å
303	D	89.7	Confident	92	Very high	15 Å²	15	28.2 Å²	28.2	8%	0.08	14%	0.138	C	C	.	.	H	α-helix	trans	-67.6	-42.7	-176.6	-79.3	17.1	0	0	0	112.6	F299 S300 W301 I305 I306 R307 V482 T684	F299-D303 WeakPolarHBondContact O-CB 3.46Å; F299-D303 PolarHBondContact O-N 3.46Å; S300-D303 PolarHBondContact O-N 2.84Å; W301-D303 PolarHBondContact O-N 2.81Å; D303-I305 VanDerWaalsContact C-N 3.3Å; D303-I305 PolarHBondContact O-N 3.45Å; D303-I306 PolarHBondContact O-N 3.44Å; D303-R307 WeakPolarHBondContact O-CB 3.32Å; D303-R307 PolarHBondContact O-N 2.94Å; D303-V482 WeakPolarHBondContact OD2-CG2 3.21Å; D303-T684 HydrophobicContact CB-CG2 3.56Å
304	Q	91.5	Very high	91.8	Very high	14 Å²	14	34.6 Å²	34.6	7%	0.065	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-37.4	174	-68.5	-65.5	-36.5	0	0	111.7	T273 L277 S300 W301 R307 W308	T273-Q304 HydrophobicContact CG2-CB 4.38Å; T273-Q304 HydrophobicContact CG2-CG 4.29Å; L277-Q304 HydrophobicContact CD1-CB 4.13Å; S300-Q304 VanDerWaalsContact O-CG 3.29Å; S300-Q304 WeakPolarHBondContact O-CG 3.42Å; S300-Q304 PolarHBondContact O-N 3.32Å; W301-Q304 PolarHBondContact O-N 3.15Å; Q304-R307 PolarHBondContact O-N 2.89Å; Q304-W308 WeakPolarHBondContact O-CB 3.18Å; Q304-W308 PolarHBondContact O-N 2.85Å
305	I	95.2	Very high	91.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.9	-48.6	175.2	-66.8	163.9	0	0	0	111	L277 I291 W301 R302 D303 R307 W308 L309 G310 L315 I320 I341 I343	L277-I305 HydrophobicContact CD1-CG1 4.41Å; L277-I305 HydrophobicContact CD2-CG1 3.78Å; I291-I305 HydrophobicContact CD1-CD1 3.56Å; I291-I305 HydrophobicContact CD1-CG1 4.43Å; W301-I305 WeakPolarHBondContact O-CD1 3.31Å; W301-I305 VanDerWaalsContact O-CG1 3.25Å; W301-I305 WeakPolarHBondContact O-CG1 3.39Å; W301-I305 PolarHBondContact O-N 3.39Å; R302-I305 WeakPolarHBondContact O-CB 3.34Å; R302-I305 PolarHBondContact O-N 2.85Å; D303-I305 VanDerWaalsContact C-N 3.3Å; D303-I305 PolarHBondContact O-N 3.45Å; I305-R307 VanDerWaalsContact C-N 3.29Å; I305-R307 PolarHBondContact O-N 3.07Å; I305-W308 PolarHBondContact O-N 3.24Å; I305-L309 HydrophobicContact CG2-CB 4.39Å; I305-L309 HydrophobicContact CG2-CD1 4.48Å; I305-L309 CarbonylContact O-C 3.57Å; I305-L309 WeakPolarHBondContact O-CA 3.33Å; I305-L309 WeakPolarHBondContact O-CB 3.3Å; I305-L309 PolarHBondContact O-N 3.29Å; I305-G310 PolarHBondContact O-N 3.36Å; I305-L315 HydrophobicContact CG2-CD1 4.49Å; I305-I320 HydrophobicContact CB-CD1 4.12Å; I305-I320 HydrophobicContact CG2-CD1 3.73Å; I305-I341 HydrophobicContact CD1-CG2 4Å; I305-I341 HydrophobicContact CG2-CD1 3.81Å; I305-I343 HydrophobicContact CD1-CD1 3.92Å
306	I	94.2	Very high	91.9	Very high	29 Å²	29	37.6 Å²	37.6	15%	0.149	19%	0.186	C	C	.	.	I	π-helix	trans	-61.1	-41.4	178.2	-66.6	-61.7	0	0	0	110.8	R302 D303 G310 L317 I320 L687	R302-I306 WeakPolarHBondContact O-CG1 3.15Å; R302-I306 PolarHBondContact O-N 3.37Å; D303-I306 PolarHBondContact O-N 3.44Å; I306-G310 WeakPolarHBondContact O-CA 3.36Å; I306-G310 PolarHBondContact O-N 3.12Å; I306-L317 HydrophobicContact CD1-CD2 4.22Å; I306-L317 HydrophobicContact CG1-CD2 3.89Å; I306-I320 HydrophobicContact CD1-CD1 3.67Å; I306-I320 HydrophobicContact CG1-CD1 3.9Å; I306-L687 HydrophobicContact CG2-CD1 4.36Å
307	R	88.5	Confident	92	Very high	73 Å²	73	41.9 Å²	41.9	28%	0.275	21%	0.208	S	C	.	.	I	π-helix	trans	-59.7	-53.1	177.5	179.4	178.4	-179.1	135.8	7	112.3	D303 Q304 I305 S683 T684	D303-R307 WeakPolarHBondContact O-CB 3.32Å; D303-R307 PolarHBondContact O-N 2.94Å; Q304-R307 PolarHBondContact O-N 2.89Å; I305-R307 VanDerWaalsContact C-N 3.29Å; I305-R307 PolarHBondContact O-N 3.07Å; R307-S683 VanDerWaalsContact NH1-N 3.1Å; R307-S683 PolarHBondContact NH1-O 2.79Å; R307-T684 HydrophobicContact CB-CG2 4.44Å
308	W	92.6	Very high	91.9	Very high	28 Å²	28	45.5 Å²	45.5	11%	0.106	23%	0.231	C	C	.	.	I	π-helix	trans	-93	-26.7	-168.6	-63.7	116.3	0	0	0	114.1	L240 T243 I274 Q304 I305	L240-W308 HydrophobicContact CD1-CB 4.22Å; L240-W308 HydrophobicContact CD1-CD2 4.19Å; L240-W308 HydrophobicContact CD1-CE3 4.11Å; L240-W308 HydrophobicContact CD1-CG 4.24Å; T243-W308 HydrophobicContact CG2-CH2 3.57Å; T243-W308 HydrophobicContact CG2-CZ2 4.32Å; T243-W308 HydrophobicContact CG2-CZ3 3.99Å; T243-W308 WeakPolarHBondContact OG1-CZ3 3.47Å; I274-W308 HydrophobicContact CD1-CD2 3.93Å; I274-W308 HydrophobicContact CD1-CE3 4.24Å; I274-W308 HydrophobicContact CD1-CH2 4.04Å; I274-W308 HydrophobicContact CD1-CZ2 3.67Å; I274-W308 HydrophobicContact CD1-CZ3 4.29Å; I274-W308 HydrophobicContact CG1-CD2 4.35Å; Q304-W308 WeakPolarHBondContact O-CB 3.18Å; Q304-W308 PolarHBondContact O-N 2.85Å; I305-W308 PolarHBondContact O-N 3.24Å
309	L	94.7	Very high	91.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-121.4	-11.4	-173.4	-55.6	-177.9	0	0	0	113.2	P237 L240 L277 W287 I305 L313 L315	P237-L309 HydrophobicContact CG-CD2 4.27Å; L240-L309 HydrophobicContact CD2-CD2 3.89Å; L277-L309 HydrophobicContact CB-CD1 4.39Å; L277-L309 HydrophobicContact CD2-CD1 4.19Å; W287-L309 HydrophobicContact CH2-CD1 4.2Å; W287-L309 HydrophobicContact CZ2-CD1 4.49Å; I305-L309 HydrophobicContact CG2-CB 4.39Å; I305-L309 HydrophobicContact CG2-CD1 4.48Å; I305-L309 CarbonylContact O-C 3.57Å; I305-L309 WeakPolarHBondContact O-CA 3.33Å; I305-L309 WeakPolarHBondContact O-CB 3.3Å; I305-L309 PolarHBondContact O-N 3.29Å; L309-L313 HydrophobicContact CB-CD1 4.03Å; L309-L313 HydrophobicContact CB-CG 4.46Å; L309-L313 HydrophobicContact CD1-CD1 4.38Å; L309-L313 HydrophobicContact CD2-CD1 4.21Å; L309-L313 HydrophobicContact CG-CD1 4.44Å; L309-L313 WeakPolarHBondContact O-CB 3.44Å; L309-L313 PolarHBondContact O-N 3.02Å; L309-L315 HydrophobicContact CB-CD1 4.16Å
310	G	94.1	Very high	91.9	Very high	5 Å²	5	47.3 Å²	47.3	5%	0.052	24%	0.24	C	C	.	.	I	π-helix	trans	-55.2	-67.5	-178.6	0	0	0	0	0	113.1	I305 I306 N314 L315	I305-G310 PolarHBondContact O-N 3.36Å; I306-G310 WeakPolarHBondContact O-CA 3.36Å; I306-G310 PolarHBondContact O-N 3.12Å; G310-N314 CarbonylContact O-C 3.4Å; G310-N314 VanDerWaalsContact O-CA 3.28Å; G310-N314 WeakPolarHBondContact O-CA 3.22Å; G310-N314 PolarHBondContact O-N 3.18Å; G310-L315 CarbonylContact C-O 3.5Å; G310-L315 VanDerWaalsContact CA-O 3.3Å; G310-L315 WeakPolarHBondContact CA-O 3.42Å; G310-L315 PolarHBondContact O-N 2.91Å
311	K	91.8	Very high	92.1	Very high	194 Å²	194	47.2 Å²	47.2	84%	0.843	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-49.7	178.9	-62.4	-178.5	179.6	179.5	0	112.8	L313 N314	K311-L313 VanDerWaalsContact C-N 3.33Å; K311-L313 PolarHBondContact O-N 3.3Å; K311-N314 PolarHBondContact O-N 3.34Å
312	P	90.6	Very high	92	Very high	60 Å²	60	47.9 Å²	47.9	39%	0.39	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-31.6	-173.2	-23.9	35.5	0	0	0	114.8	P237	P237-P312 HydrophobicContact CB-CB 3.58Å; P237-P312 HydrophobicContact CB-CG 3.72Å; P237-P312 HydrophobicContact CG-CB 3.6Å; P237-P312 HydrophobicContact CG-CG 4.11Å
313	L	91.4	Very high	91.9	Very high	36 Å²	36	46.3 Å²	46.3	19%	0.188	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	11.2	-179.7	-55	-177.8	0	0	0	112.6	Y284 L309 K311 L315	Y284-L313 HydrophobicContact CD2-CD1 3.7Å; Y284-L313 HydrophobicContact CE2-CB 4.38Å; Y284-L313 HydrophobicContact CE2-CD1 3.94Å; Y284-L313 HydrophobicContact CG-CD1 4.27Å; Y284-L313 HydrophobicContact CG-CD2 4.41Å; L309-L313 HydrophobicContact CB-CD1 4.03Å; L309-L313 HydrophobicContact CB-CG 4.46Å; L309-L313 HydrophobicContact CD1-CD1 4.38Å; L309-L313 HydrophobicContact CD2-CD1 4.21Å; L309-L313 HydrophobicContact CG-CD1 4.44Å; L309-L313 WeakPolarHBondContact O-CB 3.44Å; L309-L313 PolarHBondContact O-N 3.02Å; K311-L313 VanDerWaalsContact C-N 3.33Å; K311-L313 PolarHBondContact O-N 3.3Å; L313-L315 HydrophobicContact CB-CD1 3.87Å; L313-L315 HydrophobicContact CB-CG 3.82Å; L313-L315 HydrophobicContact CD1-CD1 4.15Å; L313-L315 PolarHBondContact O-N 3.19Å
314	N	92	Very high	91.8	Very high	135 Å²	135	48.7 Å²	48.7	72%	0.722	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	39.7	-174.9	-167	34.9	0	0	0	113.3	G310 K311	G310-N314 CarbonylContact O-C 3.4Å; G310-N314 VanDerWaalsContact O-CA 3.28Å; G310-N314 WeakPolarHBondContact O-CA 3.22Å; G310-N314 PolarHBondContact O-N 3.18Å; K311-N314 PolarHBondContact O-N 3.34Å
315	L	92.5	Very high	91.6	Very high	12 Å²	12	50.1 Å²	50.1	6%	0.063	26%	0.261	C	S	.	.			trans	-91.3	141.4	177.3	-59.3	170.8	0	0	0	110	W287 I305 L309 G310 L313 H319 P340 I341	W287-L315 HydrophobicContact CH2-CD1 4.36Å; W287-L315 HydrophobicContact CZ3-CD1 4.15Å; I305-L315 HydrophobicContact CG2-CD1 4.49Å; L309-L315 HydrophobicContact CB-CD1 4.16Å; G310-L315 CarbonylContact C-O 3.5Å; G310-L315 VanDerWaalsContact CA-O 3.3Å; G310-L315 WeakPolarHBondContact CA-O 3.42Å; G310-L315 PolarHBondContact O-N 2.91Å; L313-L315 HydrophobicContact CB-CD1 3.87Å; L313-L315 HydrophobicContact CB-CG 3.82Å; L313-L315 HydrophobicContact CD1-CD1 4.15Å; L313-L315 PolarHBondContact O-N 3.19Å; L315-H319 HydrophobicContact CD2-CB 4.01Å; L315-P340 HydrophobicContact CD2-CG 4.23Å; L315-I341 HydrophobicContact CD1-CD1 3.86Å
316	N	91.8	Very high	90.9	Very high	73 Å²	73	50.7 Å²	50.7	39%	0.39	27%	0.267	S	S	.	.			trans	-134.9	-179	172.3	66	36.6	0	0	0	108.7	T318 H319	N316-T318 PolarHBondContact O-N 3.31Å; N316-T318 PolarHBondContact OD1-N 2.88Å; N316-T318 PolarHBondContact OD1-OG1 3.01Å; N316-H319 VanDerWaalsContact CG-ND1 3.31Å; N316-H319 PolarHBondContact N-ND1 2.87Å; N316-H319 WeakPolarHBondContact O-CB 3.3Å; N316-H319 PolarHBondContact O-N 2.95Å; N316-H319 PolarHBondContact OD1-CE1 2.99Å; N316-H319 PolarHBondContact OD1-ND1 3.22Å
317	L	89.7	Confident	90.3	Very high	94 Å²	94	56.4 Å²	56.4	49%	0.492	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-61	-26.4	-175.8	-65.7	175.6	0	0	0	114.2	R302 I306 H319 I320	R302-L317 HydrophobicContact CG-CD2 4Å; I306-L317 HydrophobicContact CD1-CD2 4.22Å; I306-L317 HydrophobicContact CG1-CD2 3.89Å; L317-H319 PolarHBondContact O-N 2.93Å; L317-I320 PolarHBondContact O-N 3.47Å
318	T	88.6	Confident	90.1	Very high	102 Å²	102	55.2 Å²	55.2	63%	0.626	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-72.5	-13.8	179.1	69.9	0	0	0	0	112.9	N316 I320 S339	N316-T318 PolarHBondContact O-N 3.31Å; N316-T318 PolarHBondContact OD1-N 2.88Å; N316-T318 PolarHBondContact OD1-OG1 3.01Å; T318-I320 VanDerWaalsContact C-N 3.34Å; T318-S339 PolarHBondContact O-OG 3.29Å
319	H	91.4	Very high	89.4	Confident	47 Å²	47	53.9 Å²	53.9	22%	0.218	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-88.2	-4.1	176.9	-61.6	96.8	0	0	0	113.2	L315 N316 L317 S338 S339 P340 I341	L315-H319 HydrophobicContact CD2-CB 4.01Å; N316-H319 VanDerWaalsContact CG-ND1 3.31Å; N316-H319 PolarHBondContact N-ND1 2.87Å; N316-H319 WeakPolarHBondContact O-CB 3.3Å; N316-H319 PolarHBondContact O-N 2.95Å; N316-H319 PolarHBondContact OD1-CE1 2.99Å; N316-H319 PolarHBondContact OD1-ND1 3.22Å; L317-H319 PolarHBondContact O-N 2.93Å; H319-S338 WeakPolarHBondContact CA-O 3.3Å; H319-S338 PolarHBondContact CD2-O 3.47Å; H319-S338 VanDerWaalsContact CD2-O 3.32Å; H319-S339 CarbonylContact O-C 3.45Å; H319-P340 HydrophobicContact CB-CG 4.09Å; H319-P340 VanDerWaalsContact O-CD 3.27Å; H319-P340 WeakPolarHBondContact O-CD 3.47Å; H319-I341 PolarHBondContact O-N 3.19Å
320	I	92.5	Very high	88.3	Confident	15 Å²	15	58.3 Å²	58.3	8%	0.077	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.4	-173.6	-51.3	-178.6	0	0	0	109.8	R302 I305 I306 L317 T318 V322 I341 I343	R302-I320 HydrophobicContact CB-CG2 4.48Å; R302-I320 HydrophobicContact CG-CD1 4.26Å; R302-I320 HydrophobicContact CG-CG2 4.19Å; I305-I320 HydrophobicContact CB-CD1 4.12Å; I305-I320 HydrophobicContact CG2-CD1 3.73Å; I306-I320 HydrophobicContact CD1-CD1 3.67Å; I306-I320 HydrophobicContact CG1-CD1 3.9Å; L317-I320 PolarHBondContact O-N 3.47Å; T318-I320 VanDerWaalsContact C-N 3.34Å; I320-V322 HydrophobicContact CG2-CG2 4.24Å; I320-I341 HydrophobicContact CD1-CD1 4.34Å; I320-I341 HydrophobicContact CG1-CB 4.31Å; I320-I341 HydrophobicContact CG1-CD1 3.89Å; I320-I341 HydrophobicContact CG2-CB 4.45Å; I320-I341 HydrophobicContact CG2-CG2 4.14Å; I320-I343 HydrophobicContact CG2-CD1 3.78Å; I320-I343 HydrophobicContact CG2-CG1 4.18Å
321	T	92.3	Very high	87	Confident	20 Å²	20	64.1 Å²	64.1	12%	0.123	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	109.3	171.6	-57	0	0	0	0	109.8	V323 D332 S339 I341 T342 I343	T321-V323 HydrophobicContact CG2-CG2 4.13Å; T321-D332 PolarHBondContact OG1-OD2 3.5Å; T321-D332 VanDerWaalsContact OG1-OD2 3.14Å; T321-S339 WeakPolarHBondContact OG1-CB 3.37Å; T321-S339 PolarHBondContact OG1-OG 2.95Å; T321-I341 PolarHBondContact N-O 3.02Å; T321-T342 CarbonylContact O-C 3.51Å; T321-T342 WeakPolarHBondContact O-CA 3.49Å; T321-I343 PolarHBondContact O-N 2.87Å
322	V	92.2	Very high	85.5	Confident	19 Å²	19	55.8 Å²	55.8	12%	0.115	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	108	169.1	-176	0	0	0	0	109.1	R298 F299 R302 I320 N324 I343	R298-V322 HydrophobicContact CB-CG1 4.01Å; F299-V322 HydrophobicContact CD2-CG1 4.27Å; F299-V322 HydrophobicContact CE1-CG1 4.25Å; F299-V322 HydrophobicContact CE2-CG1 3.82Å; F299-V322 HydrophobicContact CZ-CB 4.48Å; F299-V322 HydrophobicContact CZ-CG1 3.83Å; R302-V322 HydrophobicContact CB-CG2 4.02Å; R302-V322 HydrophobicContact CG-CG2 4.2Å; I320-V322 HydrophobicContact CG2-CG2 4.24Å; V322-N324 PolarHBondContact O-N 3.19Å; V322-N324 PolarHBondContact O-ND2 3.27Å; V322-I343 HydrophobicContact CG2-CB 4.49Å; V322-I343 HydrophobicContact CG2-CD1 4.28Å
323	V	92.5	Very high	83.9	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	30%	0.304	C	S	.	.			trans	-80.9	110.8	-171.8	179.6	0	0	0	0	110.6	R298 T321 S325 D328 I329 T342 I343 I344 L348	R298-V323 VanDerWaalsContact NH1-C 3.34Å; R298-V323 PolarHBondContact NH1-O 3.27Å; T321-V323 HydrophobicContact CG2-CG2 4.13Å; V323-S325 WeakPolarHBondContact CG1-O 3.44Å; V323-D328 HydrophobicContact CG1-CB 4.3Å; V323-I329 HydrophobicContact CG1-CD1 3.76Å; V323-I329 HydrophobicContact CG1-CG1 3.45Å; V323-I329 VanDerWaalsContact CG1-CG1 3.45Å; V323-I329 HydrophobicContact CG2-CG1 4.26Å; V323-T342 HydrophobicContact CG2-CG2 3.67Å; V323-I343 PolarHBondContact N-O 3.49Å; V323-I344 HydrophobicContact CB-CB 4.18Å; V323-I344 HydrophobicContact CB-CD1 4.31Å; V323-I344 HydrophobicContact CB-CG1 3.94Å; V323-I344 HydrophobicContact CG1-CD1 3.98Å; V323-I344 HydrophobicContact CG1-CG1 4Å; V323-I344 HydrophobicContact CG2-CB 4.37Å; V323-I344 HydrophobicContact CG2-CG1 4.46Å; V323-L348 HydrophobicContact CG1-CD1 4.17Å; V323-L348 WeakPolarHBondContact O-CD1 3.43Å
324	N	88.5	Confident	82.3	Confident	65 Å²	65	64.2 Å²	64.2	35%	0.348	34%	0.335	S	S	.	.			trans	-98.2	-28.8	177	-62.4	-50.2	0	0	0	112.2	R298 V322 D328	R298-N324 PolarHBondContact NH1-OD1 3.14Å; R298-N324 PolarHBondContact NH2-OD1 2.78Å; V322-N324 PolarHBondContact O-N 3.19Å; V322-N324 PolarHBondContact O-ND2 3.27Å; N324-D328 WeakPolarHBondContact CA-OD2 3.27Å; N324-D328 PolarHBondContact N-OD2 2.96Å
325	S	87.1	Confident	80.7	Confident	44 Å²	44	59.3 Å²	59.3	31%	0.308	31%	0.311	S	S	.	.	S	Bend	trans	-146.4	173.3	-176.3	77.7	0	0	0	0	112.1	V323 K327 D328	V323-S325 WeakPolarHBondContact CG1-O 3.44Å; S325-K327 PolarHBondContact O-N 3.46Å; S325-K327 PolarHBondContact OG-N 3.03Å; S325-D328 PolarHBondContact N-OD2 3.39Å; S325-D328 PolarHBondContact O-N 3.41Å
326	G	80	Confident	78.8	Confident	12 Å²	12	63.2 Å²	63.2	12%	0.124	33%	0.328	C	S	.	.	H	α-helix	trans	-61.8	-26.3	174.1	0	0	0	0	0	114.2	I329 M330 Y352	G326-I329 PolarHBondContact O-N 3.35Å; G326-M330 WeakPolarHBondContact O-CG 3.23Å; G326-M330 PolarHBondContact O-N 3.31Å; G326-Y352 VanDerWaalsContact CA-OH 3.29Å; G326-Y352 WeakPolarHBondContact CA-OH 3.39Å
327	K	82.1	Confident	77.1	Confident	150 Å²	150	67.5 Å²	67.5	65%	0.652	35%	0.351	S	S	*	.	H	α-helix	trans	-64	-43.1	-179.9	-65.1	-175.8	178.8	-177.9	0	111.1	S325 I329 M330 D331	S325-K327 PolarHBondContact O-N 3.46Å; S325-K327 PolarHBondContact OG-N 3.03Å; K327-I329 PolarHBondContact O-N 2.91Å; K327-M330 PolarHBondContact O-N 3.23Å; K327-D331 WeakPolarHBondContact O-CB 3.46Å; K327-D331 PolarHBondContact O-N 2.64Å
328	D	83.2	Confident	76	Confident	47 Å²	47	65.9 Å²	65.9	25%	0.251	35%	0.347	S	S	.	.	H	α-helix	trans	-60.3	-24.3	178.4	-45.6	-37.1	0	0	0	112.5	V323 N324 S325 D332	V323-D328 HydrophobicContact CG1-CB 4.3Å; N324-D328 WeakPolarHBondContact CA-OD2 3.27Å; N324-D328 PolarHBondContact N-OD2 2.96Å; S325-D328 PolarHBondContact N-OD2 3.39Å; S325-D328 PolarHBondContact O-N 3.41Å; D328-D332 WeakPolarHBondContact O-CB 3.49Å
329	I	79.5	Confident	75.2	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-84	-35.5	176.7	-53.8	176.5	0	0	0	111.2	V323 G326 K327 I344 Y352 E355 R359	V323-I329 HydrophobicContact CG1-CD1 3.76Å; V323-I329 HydrophobicContact CG1-CG1 3.45Å; V323-I329 VanDerWaalsContact CG1-CG1 3.45Å; V323-I329 HydrophobicContact CG2-CG1 4.26Å; G326-I329 PolarHBondContact O-N 3.35Å; K327-I329 PolarHBondContact O-N 2.91Å; I329-I344 HydrophobicContact CD1-CD1 3.92Å; I329-Y352 VanDerWaalsContact CD1-CB 3.45Å; I329-Y352 HydrophobicContact CD1-CD1 4.22Å; I329-Y352 HydrophobicContact CD1-CD2 3.4Å; I329-Y352 HydrophobicContact CD1-CE2 4.19Å; I329-Y352 HydrophobicContact CD1-CG 3.43Å; I329-Y352 VanDerWaalsContact CD1-CG 3.43Å; I329-E355 HydrophobicContact CG2-CB 4.13Å; I329-R359 PolarHBondContact O-NH2 3.44Å
330	M	71.4	Confident	74.9	Confident	93 Å²	93	60.8 Å²	60.8	46%	0.458	32%	0.321	S	S	.	.	H	α-helix	trans	-79.5	-45.6	-178.2	-61.4	-53.4	108.1	0	0	112.1	G326 K327 D332 W333 Y352 E355	G326-M330 WeakPolarHBondContact O-CG 3.23Å; G326-M330 PolarHBondContact O-N 3.31Å; K327-M330 PolarHBondContact O-N 3.23Å; M330-D332 VanDerWaalsContact C-N 3.29Å; M330-D332 PolarHBondContact O-N 3.05Å; M330-W333 PolarHBondContact O-N 3.1Å; M330-Y352 HydrophobicContact CE-CD1 4.12Å; M330-Y352 HydrophobicContact CE-CE1 4.41Å; M330-E355 HydrophobicContact CE-CB 4.28Å; M330-E355 HydrophobicContact CE-CG 3.74Å
331	D	66.4	Low	75.1	Confident	126 Å²	126	60.1 Å²	60.1	67%	0.674	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-27.5	-174.2	-63.7	-19.8	0	0	0	111.7	K327 W333	K327-D331 WeakPolarHBondContact O-CB 3.46Å; K327-D331 PolarHBondContact O-N 2.64Å; D331-W333 VanDerWaalsContact C-N 3.33Å; D331-W333 PolarHBondContact O-N 3.42Å
332	D	60.4	Low	75.2	Confident	19 Å²	19	59.2 Å²	59.2	10%	0.102	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	3.7	-176.8	-172.8	45.6	0	0	0	113.3	T321 D328 M330 D334 S335 R359	T321-D332 PolarHBondContact OG1-OD2 3.5Å; T321-D332 VanDerWaalsContact OG1-OD2 3.14Å; D328-D332 WeakPolarHBondContact O-CB 3.49Å; M330-D332 VanDerWaalsContact C-N 3.29Å; M330-D332 PolarHBondContact O-N 3.05Å; D332-D334 PolarHBondContact O-N 3.32Å; D332-S335 PolarHBondContact O-N 3.12Å; D332-S335 VanDerWaalsContact OD1-CB 3.27Å; D332-S335 WeakPolarHBondContact OD1-CB 3.23Å; D332-S335 PolarHBondContact OD1-OG 3.3Å; D332-R359 IonicContact OD2-CZ 3.97Å; D332-R359 IonicContact OD2-NH1 2.94Å; D332-R359 PolarHBondContact OD2-NH1 2.95Å; D332-R359 IonicContact OD2-NH2 3.88Å; D332-R359 PolarHBondContact OD2-NH2 3.29Å
333	W	57.4	Low	75.4	Confident	116 Å²	116	58.3 Å²	58.3	44%	0.439	31%	0.306	S	S	.	.	S	Bend	trans	-63.8	-40.2	-176.8	-170.8	-90.9	0	0	0	113.2	M330 D331 S335 K358 R359	M330-W333 PolarHBondContact O-N 3.1Å; D331-W333 VanDerWaalsContact C-N 3.33Å; D331-W333 PolarHBondContact O-N 3.42Å; W333-S335 VanDerWaalsContact C-N 3.32Å; W333-K358 HydrophobicContact CH2-CB 3.45Å; W333-K358 VanDerWaalsContact CH2-CB 3.45Å; W333-K358 HydrophobicContact CZ2-CB 4.36Å; W333-K358 HydrophobicContact CZ3-CB 4.13Å; W333-R359 HydrophobicContact CE3-CG 4.09Å; W333-R359 HydrophobicContact CH2-CG 4.03Å; W333-R359 HydrophobicContact CZ3-CG 3.42Å; W333-R359 VanDerWaalsContact CZ3-CG 3.42Å
334	D	56.7	Low	75.6	Confident	158 Å²	158	58.2 Å²	58.2	85%	0.845	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-14.1	179.8	-67.2	-28.4	0	0	0	112.7	D332 F336	D332-D334 PolarHBondContact O-N 3.32Å; D334-F336 VanDerWaalsContact C-N 3.3Å; D334-F336 PolarHBondContact O-N 2.98Å
335	S	58.9	Low	75.9	Confident	31 Å²	31	55.3 Å²	55.3	22%	0.217	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	12.9	-176	142.6	0	0	0	0	113.5	D332 W333 N337 S338 S339	D332-S335 PolarHBondContact O-N 3.12Å; D332-S335 VanDerWaalsContact OD1-CB 3.27Å; D332-S335 WeakPolarHBondContact OD1-CB 3.23Å; D332-S335 PolarHBondContact OD1-OG 3.3Å; W333-S335 VanDerWaalsContact C-N 3.32Å; S335-N337 PolarHBondContact O-N 2.89Å; S335-S338 WeakPolarHBondContact CB-OG 3.33Å; S335-S338 PolarHBondContact O-N 3.36Å; S335-S338 PolarHBondContact O-OG 2.97Å; S335-S338 PolarHBondContact OG-OG 2.98Å; S335-S339 PolarHBondContact O-N 3.5Å
336	F	51.6	Low	76.2	Confident	94 Å²	94	53.4 Å²	53.4	41%	0.412	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-27.6	-174.7	-157.1	-91.9	0	0	0	114.7	P288 D334 R359	P288-F336 HydrophobicContact CB-CZ 4.46Å; P288-F336 HydrophobicContact CG-CE1 4.05Å; P288-F336 HydrophobicContact CG-CE2 4.17Å; P288-F336 HydrophobicContact CG-CZ 3.5Å; P288-F336 VanDerWaalsContact CG-CZ 3.5Å; D334-F336 VanDerWaalsContact C-N 3.3Å; D334-F336 PolarHBondContact O-N 2.98Å; F336-R359 HydrophobicContact CE2-CB 4.38Å; F336-R359 WeakPolarHBondContact CE2-O 3.49Å; F336-R359 WeakPolarHBondContact CZ-O 3.35Å
337	N	56.7	Low	76.9	Confident	164 Å²	164	56.6 Å²	56.6	88%	0.877	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-20.4	176.3	-74.1	-4.8	0	0	0	114.4	S335	S335-N337 PolarHBondContact O-N 2.89Å
338	S	66.3	Low	77.5	Confident	59 Å²	59	50.5 Å²	50.5	41%	0.413	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-34.7	-179.7	31.4	0	0	0	0	114	H319 S335 P340	H319-S338 WeakPolarHBondContact CA-O 3.3Å; H319-S338 PolarHBondContact CD2-O 3.47Å; H319-S338 VanDerWaalsContact CD2-O 3.32Å; S335-S338 WeakPolarHBondContact CB-OG 3.33Å; S335-S338 PolarHBondContact O-N 3.36Å; S335-S338 PolarHBondContact O-OG 2.97Å; S335-S338 PolarHBondContact OG-OG 2.98Å; S338-P340 VanDerWaalsContact O-CD 3.25Å; S338-P340 WeakPolarHBondContact O-CD 3.45Å
339	S	71.2	Confident	78.1	Confident	16 Å²	16	48.2 Å²	48.2	11%	0.112	25%	0.253	C	S	.	.			trans	-117.9	81.8	-172.8	-62.6	0	0	0	0	112.8	T318 H319 T321 S335 I341	T318-S339 PolarHBondContact O-OG 3.29Å; H319-S339 CarbonylContact O-C 3.45Å; T321-S339 WeakPolarHBondContact OG1-CB 3.37Å; T321-S339 PolarHBondContact OG1-OG 2.95Å; S335-S339 PolarHBondContact O-N 3.5Å; S339-I341 PolarHBondContact O-N 2.89Å; S339-I341 VanDerWaalsContact O-N 3.17Å
340	P	86.9	Confident	78.9	Confident	27 Å²	27	49.7 Å²	49.7	18%	0.175	26%	0.263	C	S	.	.			trans	-67.6	-12.7	-179	28.7	-38.2	0	0	0	114.2	W287 P288 L289 L315 H319 S338	W287-P340 HydrophobicContact CE3-CB 4.28Å; P288-P340 CarbonylContact C-O 3.49Å; P288-P340 VanDerWaalsContact CA-O 3.26Å; P288-P340 WeakPolarHBondContact CA-O 3.44Å; P288-P340 VanDerWaalsContact CB-O 3.3Å; P288-P340 WeakPolarHBondContact CB-O 3.5Å; L289-P340 PolarHBondContact N-O 2.98Å; L315-P340 HydrophobicContact CD2-CG 4.23Å; H319-P340 HydrophobicContact CB-CG 4.09Å; H319-P340 VanDerWaalsContact O-CD 3.27Å; H319-P340 WeakPolarHBondContact O-CD 3.47Å; S338-P340 VanDerWaalsContact O-CD 3.25Å; S338-P340 WeakPolarHBondContact O-CD 3.45Å
341	I	95.2	Very high	80	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.4	-176.5	-58.1	156.5	0	0	0	110.2	W287 L289 I305 L315 H319 I320 T321 S339 I343	W287-I341 HydrophobicContact CE3-CD1 4.48Å; W287-I341 HydrophobicContact CE3-CG1 3.88Å; W287-I341 HydrophobicContact CH2-CD1 3.97Å; W287-I341 HydrophobicContact CH2-CG1 4Å; W287-I341 HydrophobicContact CZ3-CD1 3.48Å; W287-I341 VanDerWaalsContact CZ3-CD1 3.48Å; W287-I341 HydrophobicContact CZ3-CG1 3.3Å; L289-I341 HydrophobicContact CB-CG1 4.32Å; L289-I341 HydrophobicContact CD2-CG1 4.44Å; L289-I341 HydrophobicContact CD2-CG2 4.41Å; L289-I341 WeakPolarHBondContact O-CA 3.15Å; I305-I341 HydrophobicContact CD1-CG2 4Å; I305-I341 HydrophobicContact CG2-CD1 3.81Å; L315-I341 HydrophobicContact CD1-CD1 3.86Å; H319-I341 PolarHBondContact O-N 3.19Å; I320-I341 HydrophobicContact CD1-CD1 4.34Å; I320-I341 HydrophobicContact CG1-CB 4.31Å; I320-I341 HydrophobicContact CG1-CD1 3.89Å; I320-I341 HydrophobicContact CG2-CB 4.45Å; I320-I341 HydrophobicContact CG2-CG2 4.14Å; T321-I341 PolarHBondContact N-O 3.02Å; S339-I341 PolarHBondContact O-N 2.89Å; S339-I341 VanDerWaalsContact O-N 3.17Å; I341-I343 HydrophobicContact CG2-CG1 4.28Å
342	T	95	Very high	81.3	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.2	171.6	-62.5	0	0	0	0	110.7	L289 L290 I291 T321 V323 Y361	L289-T342 PolarHBondContact O-N 3.22Å; L290-T342 CarbonylContact C-O 3.57Å; L290-T342 WeakPolarHBondContact CA-O 3.24Å; L290-T342 HydrophobicContact CD1-CG2 3.98Å; I291-T342 PolarHBondContact N-O 2.9Å; T321-T342 CarbonylContact O-C 3.51Å; T321-T342 WeakPolarHBondContact O-CA 3.49Å; V323-T342 HydrophobicContact CG2-CG2 3.67Å; T342-Y361 VanDerWaalsContact CB-OH 3.24Å; T342-Y361 WeakPolarHBondContact CB-OH 3.45Å; T342-Y361 PolarHBondContact OG1-OH 3.48Å
343	I	96.4	Very high	82.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.6	176.6	-51.2	176.8	0	0	0	108.7	I291 T293 R298 W301 R302 I305 I320 T321 V322 V323 I341	I291-I343 HydrophobicContact CB-CG1 4.29Å; I291-I343 HydrophobicContact CB-CG2 4.42Å; I291-I343 HydrophobicContact CD1-CG1 4.47Å; I291-I343 WeakPolarHBondContact O-CA 3.25Å; T293-I343 HydrophobicContact CG2-CG2 3.94Å; R298-I343 HydrophobicContact CB-CG2 3.97Å; R298-I343 HydrophobicContact CG-CG2 4.14Å; W301-I343 HydrophobicContact CB-CD1 4.02Å; W301-I343 HydrophobicContact CB-CG2 4.34Å; R302-I343 HydrophobicContact CB-CD1 3.95Å; I305-I343 HydrophobicContact CD1-CD1 3.92Å; I320-I343 HydrophobicContact CG2-CD1 3.78Å; I320-I343 HydrophobicContact CG2-CG1 4.18Å; T321-I343 PolarHBondContact O-N 2.87Å; V322-I343 HydrophobicContact CG2-CB 4.49Å; V322-I343 HydrophobicContact CG2-CD1 4.28Å; V323-I343 PolarHBondContact N-O 3.49Å; I341-I343 HydrophobicContact CG2-CG1 4.28Å
344	I	96	Very high	84.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.1	-174.2	-166.1	172.3	0	0	0	112.3	L290 I291 I292 T293 V323 I329 L348 M349 L356	L290-I344 HydrophobicContact CD1-CG2 3.87Å; I291-I344 PolarHBondContact O-N 2.77Å; I292-I344 WeakPolarHBondContact CA-O 3.45Å; I292-I344 HydrophobicContact CG1-CG2 4.18Å; T293-I344 PolarHBondContact N-O 2.76Å; V323-I344 HydrophobicContact CB-CB 4.18Å; V323-I344 HydrophobicContact CB-CD1 4.31Å; V323-I344 HydrophobicContact CB-CG1 3.94Å; V323-I344 HydrophobicContact CG1-CD1 3.98Å; V323-I344 HydrophobicContact CG1-CG1 4Å; V323-I344 HydrophobicContact CG2-CB 4.37Å; V323-I344 HydrophobicContact CG2-CG1 4.46Å; I329-I344 HydrophobicContact CD1-CD1 3.92Å; I344-L348 HydrophobicContact CD1-CB 3.76Å; I344-L348 HydrophobicContact CG1-CB 3.64Å; I344-M349 HydrophobicContact CD1-CB 4.29Å; I344-M349 HydrophobicContact CG2-CB 4.15Å; I344-L356 HydrophobicContact CD1-CD1 3.89Å
345	S	95	Very high	86.2	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.028	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	157.7	172.4	71.6	0	0	0	0	112.9	T293 S295 D347 L348 M349	T293-S345 VanDerWaalsContact O-CA 3.26Å; T293-S345 WeakPolarHBondContact O-CA 3.3Å; S295-S345 VanDerWaalsContact OG-CB 3.23Å; S295-S345 WeakPolarHBondContact OG-CB 3.43Å; S345-D347 VanDerWaalsContact C-N 3.26Å; S345-D347 PolarHBondContact O-N 2.86Å; S345-L348 PolarHBondContact O-N 3.04Å; S345-L348 WeakPolarHBondContact OG-CG 3.27Å; S345-L348 PolarHBondContact OG-N 3.18Å; S345-M349 VanDerWaalsContact O-CB 3.31Å; S345-M349 WeakPolarHBondContact O-CB 3.18Å; S345-M349 PolarHBondContact O-N 3.18Å
346	Y	95	Very high	87.7	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-38	172.5	-82	-76.9	0	0	0	113.8	I292 T293 M349 S350 D367 F371 I372	I292-Y346 HydrophobicContact CG2-CD1 3.64Å; I292-Y346 HydrophobicContact CG2-CD2 4.19Å; I292-Y346 HydrophobicContact CG2-CE1 3.55Å; I292-Y346 HydrophobicContact CG2-CE2 4.13Å; I292-Y346 HydrophobicContact CG2-CG 3.95Å; T293-Y346 PolarHBondContact O-N 3.1Å; Y346-M349 HydrophobicContact CD1-CE 3.98Å; Y346-S350 WeakPolarHBondContact O-CB 3.35Å; Y346-S350 PolarHBondContact O-N 3.03Å; Y346-D367 WeakPolarHBondContact CE2-O 3.25Å; Y346-D367 PolarHBondContact OH-O 3.1Å; Y346-F371 HydrophobicContact CD1-CB 3.88Å; Y346-F371 HydrophobicContact CD2-CB 3.91Å; Y346-F371 HydrophobicContact CD2-CD1 4.42Å; Y346-F371 HydrophobicContact CD2-CD2 4.06Å; Y346-F371 AromaticContact CD2-CG 3.88Å; Y346-F371 HydrophobicContact CD2-CG 3.88Å; Y346-F371 HydrophobicContact CE1-CB 3.84Å; Y346-F371 HydrophobicContact CE2-CB 3.84Å; Y346-F371 AromaticContact CE2-CD2 3.91Å; Y346-F371 HydrophobicContact CE2-CD2 3.91Å; Y346-F371 HydrophobicContact CE2-CG 4.01Å; Y346-F371 HydrophobicContact CG-CB 3.92Å; Y346-F371 HydrophobicContact CG-CG 4.22Å; Y346-I372 HydrophobicContact CD1-CG1 4.38Å; Y346-I372 HydrophobicContact CE1-CD1 3.89Å; Y346-I372 HydrophobicContact CE1-CG1 3.6Å
347	D	92.9	Very high	89.7	Confident	78 Å²	78	45.2 Å²	45.2	42%	0.417	23%	0.225	S	C	.	.	H	α-helix	trans	-72.3	-41.5	-177.8	-67.9	-23.2	0	0	0	111.8	S345 S350 R351 R379	S345-D347 VanDerWaalsContact C-N 3.26Å; S345-D347 PolarHBondContact O-N 2.86Å; D347-S350 PolarHBondContact O-N 3.34Å; D347-R351 WeakPolarHBondContact O-CG 3.47Å; D347-R351 PolarHBondContact O-N 3.27Å; D347-R379 IonicContact OD1-NH1 3.22Å
348	L	94.7	Very high	91.3	Very high	22 Å²	22	44.2 Å²	44.2	12%	0.115	21%	0.213	C	C	.	.	H	α-helix	trans	-68.5	-42.1	174.9	-68.9	172.8	0	0	0	111	V323 I344 S345 S350 R351 Y352	V323-L348 HydrophobicContact CG1-CD1 4.17Å; V323-L348 WeakPolarHBondContact O-CD1 3.43Å; I344-L348 HydrophobicContact CD1-CB 3.76Å; I344-L348 HydrophobicContact CG1-CB 3.64Å; S345-L348 PolarHBondContact O-N 3.04Å; S345-L348 WeakPolarHBondContact OG-CG 3.27Å; S345-L348 PolarHBondContact OG-N 3.18Å; L348-S350 VanDerWaalsContact C-N 3.26Å; L348-S350 PolarHBondContact O-N 3.23Å; L348-R351 PolarHBondContact O-N 3.35Å; L348-Y352 HydrophobicContact CD2-CE2 4.18Å; L348-Y352 VanDerWaalsContact O-CD2 3.32Å; L348-Y352 WeakPolarHBondContact O-CD2 3.48Å; L348-Y352 PolarHBondContact O-N 3.08Å
349	M	96.3	Very high	92.2	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58	-40.5	173.2	177	-76.3	-61.4	0	0	111.4	I292 I344 S345 Y346 R351 Y352 G353 L356 A382 A383 I386	I292-M349 HydrophobicContact CD1-CG 4.05Å; I292-M349 HydrophobicContact CG1-CG 4.42Å; I292-M349 HydrophobicContact CG2-CB 4.4Å; I292-M349 HydrophobicContact CG2-CE 4.4Å; I292-M349 HydrophobicContact CG2-CG 4.48Å; I344-M349 HydrophobicContact CD1-CB 4.29Å; I344-M349 HydrophobicContact CG2-CB 4.15Å; S345-M349 VanDerWaalsContact O-CB 3.31Å; S345-M349 WeakPolarHBondContact O-CB 3.18Å; S345-M349 PolarHBondContact O-N 3.18Å; Y346-M349 HydrophobicContact CD1-CE 3.98Å; M349-R351 VanDerWaalsContact C-N 3.26Å; M349-R351 PolarHBondContact O-N 3.16Å; M349-Y352 PolarHBondContact O-N 3.32Å; M349-G353 VanDerWaalsContact O-CA 3.24Å; M349-G353 WeakPolarHBondContact O-CA 3.3Å; M349-G353 PolarHBondContact O-N 2.76Å; M349-L356 HydrophobicContact CB-CD1 4.02Å; M349-L356 HydrophobicContact CG-CD1 3.78Å; M349-A382 HydrophobicContact SD-CB 3.84Å; M349-A383 HydrophobicContact CE-CB 3.63Å; M349-A383 HydrophobicContact SD-CB 3.92Å; M349-I386 HydrophobicContact CG-CD1 4.16Å; M349-I386 HydrophobicContact SD-CD1 4.2Å
350	S	95.8	Very high	93.2	Very high	31 Å²	31	49.1 Å²	49.1	22%	0.217	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-32.4	176.7	-171.9	0	0	0	0	113.3	Y346 D347 L348 A378 R379	Y346-S350 WeakPolarHBondContact O-CB 3.35Å; Y346-S350 PolarHBondContact O-N 3.03Å; D347-S350 PolarHBondContact O-N 3.34Å; L348-S350 VanDerWaalsContact C-N 3.26Å; L348-S350 PolarHBondContact O-N 3.23Å; S350-A378 VanDerWaalsContact OG-C 3.3Å; S350-R379 WeakPolarHBondContact OG-CA 3.27Å; S350-R379 PolarHBondContact OG-N 3Å
351	R	95.1	Very high	93.5	Very high	187 Å²	187	48.1 Å²	48.1	71%	0.706	21%	0.213	S	C	*	.	H	α-helix	trans	-80.3	-38.6	179.3	-68.8	175.2	-170.5	-168.8	4.2	112	D347 L348 M349	D347-R351 WeakPolarHBondContact O-CG 3.47Å; D347-R351 PolarHBondContact O-N 3.27Å; L348-R351 PolarHBondContact O-N 3.35Å; M349-R351 VanDerWaalsContact C-N 3.26Å; M349-R351 PolarHBondContact O-N 3.16Å
352	Y	94.2	Very high	93.6	Very high	66 Å²	66	48.5 Å²	48.5	26%	0.259	22%	0.217	S	C	.	.	S	Bend	trans	-112.8	24.8	-172.2	-60.1	-76.3	0	0	0	113.8	G326 I329 M330 L348 M349 K354 E355 L356	G326-Y352 VanDerWaalsContact CA-OH 3.29Å; G326-Y352 WeakPolarHBondContact CA-OH 3.39Å; I329-Y352 VanDerWaalsContact CD1-CB 3.45Å; I329-Y352 HydrophobicContact CD1-CD1 4.22Å; I329-Y352 HydrophobicContact CD1-CD2 3.4Å; I329-Y352 HydrophobicContact CD1-CE2 4.19Å; I329-Y352 HydrophobicContact CD1-CG 3.43Å; I329-Y352 VanDerWaalsContact CD1-CG 3.43Å; M330-Y352 HydrophobicContact CE-CD1 4.12Å; M330-Y352 HydrophobicContact CE-CE1 4.41Å; L348-Y352 HydrophobicContact CD2-CE2 4.18Å; L348-Y352 VanDerWaalsContact O-CD2 3.32Å; L348-Y352 WeakPolarHBondContact O-CD2 3.48Å; L348-Y352 PolarHBondContact O-N 3.08Å; M349-Y352 PolarHBondContact O-N 3.32Å; Y352-K354 PolarHBondContact O-N 3.5Å; Y352-E355 WeakPolarHBondContact CA-OE2 3.4Å; Y352-E355 PolarHBondContact O-N 2.83Å; Y352-E355 VanDerWaalsContact O-OE2 3.13Å; Y352-L356 WeakPolarHBondContact O-CG 3.41Å; Y352-L356 PolarHBondContact O-N 3.43Å
353	G	93.1	Very high	93.8	Very high	9 Å²	9	48.5 Å²	48.5	9%	0.093	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-27.4	-174.6	0	0	0	0	0	113.8	M349 L357	M349-G353 VanDerWaalsContact O-CA 3.24Å; M349-G353 WeakPolarHBondContact O-CA 3.3Å; M349-G353 PolarHBondContact O-N 2.76Å; G353-L357 VanDerWaalsContact O-CB 3.29Å; G353-L357 WeakPolarHBondContact O-CB 3.1Å; G353-L357 PolarHBondContact O-N 3.12Å
354	K	92.2	Very high	93.9	Very high	165 Å²	165	48.5 Å²	48.5	72%	0.717	22%	0.217	S	C	*	.	H	α-helix	trans	-70.4	-41.1	177.4	-69	-179.6	-178.5	174.7	0	111.2	Y352 L357 K358	Y352-K354 PolarHBondContact O-N 3.5Å; K354-L357 PolarHBondContact O-N 3.11Å; K354-K358 WeakPolarHBondContact O-CG 3.45Å; K354-K358 PolarHBondContact O-N 3.44Å
355	E	91.3	Very high	94	Very high	55 Å²	55	48.5 Å²	48.5	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-68.1	-45.8	179	-64.3	73	-160.1	0	0	109.8	I329 M330 Y352 L357 K358 R359	I329-E355 HydrophobicContact CG2-CB 4.13Å; M330-E355 HydrophobicContact CE-CB 4.28Å; M330-E355 HydrophobicContact CE-CG 3.74Å; Y352-E355 WeakPolarHBondContact CA-OE2 3.4Å; Y352-E355 PolarHBondContact O-N 2.83Å; Y352-E355 VanDerWaalsContact O-OE2 3.13Å; E355-L357 VanDerWaalsContact C-N 3.33Å; E355-L357 PolarHBondContact O-N 2.93Å; E355-K358 WeakPolarHBondContact O-CB 3.36Å; E355-K358 PolarHBondContact O-N 2.72Å; E355-K358 VanDerWaalsContact O-N 3.16Å; E355-R359 PolarHBondContact O-N 2.91Å
356	L	91.8	Very high	94.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-39.4	174	-68.4	171.8	0	0	0	112.8	L290 I344 M349 Y352 K358 R359 Y361 I386	L290-L356 HydrophobicContact CD1-CD2 4.32Å; I344-L356 HydrophobicContact CD1-CD1 3.89Å; M349-L356 HydrophobicContact CB-CD1 4.02Å; M349-L356 HydrophobicContact CG-CD1 3.78Å; Y352-L356 WeakPolarHBondContact O-CG 3.41Å; Y352-L356 PolarHBondContact O-N 3.43Å; L356-K358 VanDerWaalsContact C-N 3.27Å; L356-K358 PolarHBondContact O-N 3.44Å; L356-R359 WeakPolarHBondContact O-CB 3.37Å; L356-R359 PolarHBondContact O-N 3.2Å; L356-R359 VanDerWaalsContact O-N 3.11Å; L356-Y361 HydrophobicContact CD2-CE2 3.91Å; L356-I386 HydrophobicContact CB-CD1 3.77Å; L356-I386 HydrophobicContact CB-CG1 4.49Å; L356-I386 HydrophobicContact CD1-CD1 4.17Å
357	L	92.7	Very high	94.2	Very high	61 Å²	61	48.9 Å²	48.9	32%	0.319	22%	0.219	S	C	.	.	H	α-helix	trans	-62.7	-35.8	176.7	-176.6	64.1	0	0	0	111.9	G353 K354 E355 R359 R360 P385 I386 W389	G353-L357 VanDerWaalsContact O-CB 3.29Å; G353-L357 WeakPolarHBondContact O-CB 3.1Å; G353-L357 PolarHBondContact O-N 3.12Å; K354-L357 PolarHBondContact O-N 3.11Å; E355-L357 VanDerWaalsContact C-N 3.33Å; E355-L357 PolarHBondContact O-N 2.93Å; L357-R359 VanDerWaalsContact C-N 3.28Å; L357-R359 PolarHBondContact O-N 2.83Å; L357-R360 PolarHBondContact O-N 2.67Å; L357-P385 HydrophobicContact CD1-CB 4.18Å; L357-P385 HydrophobicContact CD2-CB 3.96Å; L357-I386 HydrophobicContact CB-CG1 4.2Å; L357-I386 HydrophobicContact CD1-CG1 4.38Å; L357-W389 HydrophobicContact CD1-CB 3.92Å; L357-W389 HydrophobicContact CD1-CG 4.26Å
358	K	89.9	Confident	94.2	Very high	143 Å²	143	46.7 Å²	46.7	62%	0.622	21%	0.206	S	C	*	.	H	α-helix	trans	-68.4	-26.9	175.8	-66.7	170.9	-178.1	177.6	0	112.4	W333 K354 E355 L356 R360	W333-K358 HydrophobicContact CH2-CB 3.45Å; W333-K358 VanDerWaalsContact CH2-CB 3.45Å; W333-K358 HydrophobicContact CZ2-CB 4.36Å; W333-K358 HydrophobicContact CZ3-CB 4.13Å; K354-K358 WeakPolarHBondContact O-CG 3.45Å; K354-K358 PolarHBondContact O-N 3.44Å; E355-K358 WeakPolarHBondContact O-CB 3.36Å; E355-K358 PolarHBondContact O-N 2.72Å; E355-K358 VanDerWaalsContact O-N 3.16Å; L356-K358 VanDerWaalsContact C-N 3.27Å; L356-K358 PolarHBondContact O-N 3.44Å; K358-R360 PolarHBondContact O-N 3.41Å
359	R	86.6	Confident	94.1	Very high	12 Å²	12	45.7 Å²	45.7	5%	0.045	20%	0.201	C	C	.	.	H	α-helix	trans	-69.9	-15.6	177.2	-70.1	-166.8	176.5	-156.2	-0.6	113.9	I329 D332 W333 F336 E355 L356 L357 Y361	I329-R359 PolarHBondContact O-NH2 3.44Å; D332-R359 IonicContact OD2-CZ 3.97Å; D332-R359 IonicContact OD2-NH1 2.94Å; D332-R359 PolarHBondContact OD2-NH1 2.95Å; D332-R359 IonicContact OD2-NH2 3.88Å; D332-R359 PolarHBondContact OD2-NH2 3.29Å; W333-R359 HydrophobicContact CE3-CG 4.09Å; W333-R359 HydrophobicContact CH2-CG 4.03Å; W333-R359 HydrophobicContact CZ3-CG 3.42Å; W333-R359 VanDerWaalsContact CZ3-CG 3.42Å; F336-R359 HydrophobicContact CE2-CB 4.38Å; F336-R359 WeakPolarHBondContact CE2-O 3.49Å; F336-R359 WeakPolarHBondContact CZ-O 3.35Å; E355-R359 PolarHBondContact O-N 2.91Å; L356-R359 WeakPolarHBondContact O-CB 3.37Å; L356-R359 PolarHBondContact O-N 3.2Å; L356-R359 VanDerWaalsContact O-N 3.11Å; L357-R359 VanDerWaalsContact C-N 3.28Å; L357-R359 PolarHBondContact O-N 2.83Å; R359-Y361 HydrophobicContact CB-CD2 4.05Å; R359-Y361 HydrophobicContact CB-CE2 3.57Å; R359-Y361 WeakPolarHBondContact CD-OH 3.34Å; R359-Y361 HydrophobicContact CG-CE2 4.33Å; R359-Y361 PolarHBondContact NH1-OH 2.94Å; R359-Y361 PolarHBondContact O-N 3.05Å
360	R	90.5	Very high	93.8	Very high	166 Å²	166	45.8 Å²	45.8	63%	0.626	20%	0.201	S	C	*	.			trans	56.2	52.9	169.3	-72.6	-173	177.2	178.5	2.6	113.6	L357 K358 G362 W389	L357-R360 PolarHBondContact O-N 2.67Å; K358-R360 PolarHBondContact O-N 3.41Å; R360-G362 PolarHBondContact O-N 3Å; R360-W389 VanDerWaalsContact CA-CZ3 3.4Å; R360-W389 HydrophobicContact CB-CE3 4.31Å; R360-W389 HydrophobicContact CB-CH2 3.3Å; R360-W389 HydrophobicContact CB-CZ2 3.45Å; R360-W389 VanDerWaalsContact CB-CZ2 3.45Å; R360-W389 HydrophobicContact CB-CZ3 3.76Å; R360-W389 HydrophobicContact CG-CD2 4.37Å; R360-W389 HydrophobicContact CG-CH2 3.82Å; R360-W389 HydrophobicContact CG-CZ2 3.36Å; R360-W389 HydrophobicContact CG-CZ3 4.43Å; R360-W389 VanDerWaalsContact O-CH2 3.25Å; R360-W389 WeakPolarHBondContact O-CH2 3.2Å; R360-W389 WeakPolarHBondContact O-CZ3 3.31Å
361	Y	94.9	Very high	93.5	Very high	5 Å²	5	44.8 Å²	44.8	2%	0.02	19%	0.193	C	C	.	.			trans	-63.5	120.2	176.2	-65.8	-81	0	0	0	112.8	P288 L290 T342 L356 R359 W389 A390	P288-Y361 HydrophobicContact CB-CD1 3.81Å; P288-Y361 HydrophobicContact CB-CE1 4.11Å; P288-Y361 HydrophobicContact CG-CD1 3.87Å; P288-Y361 HydrophobicContact CG-CE1 4.39Å; L290-Y361 HydrophobicContact CB-CD1 3.58Å; L290-Y361 HydrophobicContact CB-CD2 3.77Å; L290-Y361 HydrophobicContact CB-CE1 3.92Å; L290-Y361 HydrophobicContact CB-CE2 4.08Å; L290-Y361 HydrophobicContact CB-CG 3.48Å; L290-Y361 VanDerWaalsContact CB-CG 3.48Å; L290-Y361 HydrophobicContact CD1-CD2 4.47Å; L290-Y361 HydrophobicContact CD1-CE1 4.48Å; L290-Y361 HydrophobicContact CD1-CE2 4.02Å; L290-Y361 HydrophobicContact CD2-CD2 3.73Å; L290-Y361 HydrophobicContact CD2-CE2 3.96Å; L290-Y361 HydrophobicContact CD2-CG 4.28Å; L290-Y361 HydrophobicContact CG-CD2 4.21Å; L290-Y361 HydrophobicContact CG-CE2 4.25Å; L290-Y361 HydrophobicContact CG-CG 4.41Å; T342-Y361 VanDerWaalsContact CB-OH 3.24Å; T342-Y361 WeakPolarHBondContact CB-OH 3.45Å; T342-Y361 PolarHBondContact OG1-OH 3.48Å; L356-Y361 HydrophobicContact CD2-CE2 3.91Å; R359-Y361 HydrophobicContact CB-CD2 4.05Å; R359-Y361 HydrophobicContact CB-CE2 3.57Å; R359-Y361 WeakPolarHBondContact CD-OH 3.34Å; R359-Y361 HydrophobicContact CG-CE2 4.33Å; R359-Y361 PolarHBondContact NH1-OH 2.94Å; R359-Y361 PolarHBondContact O-N 3.05Å; Y361-W389 WeakPolarHBondContact O-CZ3 3.29Å; Y361-A390 WeakPolarHBondContact O-CA 3.31Å; Y361-A390 WeakPolarHBondContact O-CB 3.32Å
362	G	96.1	Very high	93.4	Very high	9 Å²	9	36 Å²	36	9%	0.093	16%	0.16	C	C	.	.	S	Bend	trans	-75.4	-30.8	-178.9	0	0	0	0	0	112.9	E286 P288 R360 K391 R392	E286-G362 VanDerWaalsContact O-CA 3.27Å; E286-G362 WeakPolarHBondContact O-CA 3.18Å; P288-G362 PolarHBondContact O-N 2.71Å; R360-G362 PolarHBondContact O-N 3Å; G362-K391 WeakPolarHBondContact O-CA 3.37Å; G362-K391 WeakPolarHBondContact O-CB 3.39Å; G362-K391 PolarHBondContact O-N 2.85Å; G362-R392 PolarHBondContact O-N 3.47Å
363	V	98.4	Very high	93.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130	174.9	-174.3	0	0	0	0	109.6	A280 E286 P288 L289 L290 R392 I394	A280-V363 HydrophobicContact CB-CG1 4.2Å; E286-V363 HydrophobicContact CB-CG2 4.33Å; P288-V363 PolarHBondContact O-N 2.84Å; L289-V363 WeakPolarHBondContact CA-O 3.07Å; L289-V363 HydrophobicContact CD1-CB 3.93Å; L289-V363 HydrophobicContact CD1-CG1 3.61Å; L290-V363 PolarHBondContact N-O 3.47Å; V363-R392 HydrophobicContact CB-CB 4.33Å; V363-R392 HydrophobicContact CG1-CB 4.07Å; V363-R392 HydrophobicContact CG2-CB 4.08Å; V363-R392 HydrophobicContact CG2-CG 3.98Å; V363-I394 HydrophobicContact CG1-CD1 4.45Å
364	V	98.6	Very high	92.8	Very high	1 Å²	1	40 Å²	40	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.3	175	-176.3	0	0	0	0	110.3	L290 I292 I386 L387 A390 R392 V393 I394	L290-V364 HydrophobicContact CB-CG1 4.46Å; L290-V364 HydrophobicContact CB-CG2 4.21Å; L290-V364 HydrophobicContact CD2-CG1 4.28Å; L290-V364 HydrophobicContact CD2-CG2 4.37Å; L290-V364 HydrophobicContact CG-CG1 4.45Å; L290-V364 CarbonylContact O-C 3.48Å; L290-V364 VanDerWaalsContact O-CA 3.3Å; L290-V364 WeakPolarHBondContact O-CA 3.27Å; I292-V364 HydrophobicContact CD1-CG1 4.16Å; V364-I386 HydrophobicContact CG2-CG2 4.4Å; V364-L387 HydrophobicContact CB-CD2 4.19Å; V364-L387 HydrophobicContact CG1-CD2 3.59Å; V364-A390 HydrophobicContact CB-CB 4.17Å; V364-A390 HydrophobicContact CG2-CB 3.43Å; V364-A390 VanDerWaalsContact CG2-CB 3.43Å; V364-R392 PolarHBondContact N-O 2.99Å; V364-V393 WeakPolarHBondContact O-CA 3.48Å; V364-I394 PolarHBondContact O-N 3.37Å
365	I	98.8	Very high	92.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134.3	165.7	-58.9	172.1	0	0	0	107.8	A280 L289 L290 I291 I292 W301 I394 L396	A280-I365 HydrophobicContact CB-CD1 4.05Å; L289-I365 HydrophobicContact CD1-CD1 4.14Å; L289-I365 HydrophobicContact CD1-CG1 4.12Å; L290-I365 PolarHBondContact O-N 2.96Å; I291-I365 CarbonylContact C-O 3.52Å; I291-I365 WeakPolarHBondContact CA-O 3.32Å; I291-I365 HydrophobicContact CD1-CD1 4.31Å; I291-I365 HydrophobicContact CG1-CB 4.28Å; I291-I365 HydrophobicContact CG1-CD1 4.34Å; I291-I365 HydrophobicContact CG2-CB 4.38Å; I291-I365 HydrophobicContact CG2-CG2 4.45Å; I292-I365 PolarHBondContact N-O 3.05Å; W301-I365 HydrophobicContact CH2-CG2 3.92Å; W301-I365 HydrophobicContact CZ2-CG2 4.41Å; W301-I365 HydrophobicContact CZ3-CD1 4.29Å; I365-I394 CarbonylContact C-O 3.28Å; I365-I394 VanDerWaalsContact CA-O 3.31Å; I365-I394 WeakPolarHBondContact CA-O 3.46Å; I365-I394 HydrophobicContact CG1-CB 4.21Å; I365-I394 HydrophobicContact CG1-CD1 4.04Å; I365-L396 HydrophobicContact CG2-CD1 3.96Å; I365-L396 HydrophobicContact CG2-CG 4.2Å
366	A	98.1	Very high	92.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	102.5	169.8	0	0	0	0	0	109.1	I292 I372 I394 L395 L396	I292-A366 HydrophobicContact CB-CB 4.36Å; I292-A366 CarbonylContact O-C 3.55Å; I292-A366 WeakPolarHBondContact O-CA 3.32Å; A366-I372 HydrophobicContact CB-CD1 4.45Å; A366-I394 PolarHBondContact N-O 2.85Å; A366-L395 HydrophobicContact CB-CD2 3.67Å; A366-L396 PolarHBondContact O-N 2.73Å
367	D	96.1	Very high	92.7	Very high	15 Å²	15	42.2 Å²	42.2	8%	0.08	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	142.7	178.9	-168.2	20.7	0	0	0	111.3	I292 T293 W301 Y346 S369 L396	I292-D367 PolarHBondContact O-N 3.45Å; T293-D367 PolarHBondContact OG1-OD2 2.79Å; W301-D367 HydrophobicContact CZ2-CB 3.72Å; W301-D367 PolarHBondContact NE1-OD2 3.43Å; Y346-D367 WeakPolarHBondContact CE2-O 3.25Å; Y346-D367 PolarHBondContact OH-O 3.1Å; D367-S369 VanDerWaalsContact C-N 3.34Å; D367-S369 PolarHBondContact O-N 3.4Å; D367-L396 HydrophobicContact CB-CD1 4.28Å
368	E	92.1	Very high	92.7	Very high	33 Å²	33	42.5 Å²	42.5	15%	0.154	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	51.2	-168.7	-65.2	-53.7	157.2	0	0	113.5	P294 H370 F371 L396	P294-E368 HydrophobicContact CG-CB 4.01Å; P294-E368 HydrophobicContact CG-CG 4.21Å; E368-H370 PolarHBondContact O-N 3.19Å; E368-H370 IonicContact OE2-CE1 3.49Å; E368-H370 PolarHBondContact OE2-CE1 2.85Å; E368-H370 IonicContact OE2-ND1 3.62Å; E368-H370 PolarHBondContact OE2-ND1 2.84Å; E368-F371 HydrophobicContact CB-CD2 3.93Å; E368-F371 HydrophobicContact CB-CE2 4.03Å; E368-F371 WeakPolarHBondContact O-CD2 3.42Å; E368-F371 PolarHBondContact O-N 3Å; E368-L396 CarbonylContact C-O 3.58Å; E368-L396 WeakPolarHBondContact CA-O 3.34Å; E368-L396 PolarHBondContact N-O 2.94Å
369	S	94.2	Very high	92.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-57.1	-9.7	-174.5	63.7	0	0	0	0	116	D367 F371 I372 L396 Q411	D367-S369 VanDerWaalsContact C-N 3.34Å; D367-S369 PolarHBondContact O-N 3.4Å; S369-F371 PolarHBondContact O-N 2.78Å; S369-I372 WeakPolarHBondContact O-CA 3.41Å; S369-I372 WeakPolarHBondContact O-CB 3.23Å; S369-I372 PolarHBondContact O-N 3.04Å; S369-L396 PolarHBondContact N-O 3.05Å; S369-L396 PolarHBondContact OG-O 3.16Å; S369-Q411 PolarHBondContact OG-OE1 2.89Å
370	H	89.5	Confident	93.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-58.9	-19.1	169.1	69.9	-100.9	0	0	0	113.2	E368 I372 K373 S397	E368-H370 PolarHBondContact O-N 3.19Å; E368-H370 IonicContact OE2-CE1 3.49Å; E368-H370 PolarHBondContact OE2-CE1 2.85Å; E368-H370 IonicContact OE2-ND1 3.62Å; E368-H370 PolarHBondContact OE2-ND1 2.84Å; H370-I372 PolarHBondContact O-N 2.95Å; H370-K373 WeakPolarHBondContact O-CB 3.43Å; H370-K373 WeakPolarHBondContact O-CD 3.29Å; H370-K373 WeakPolarHBondContact O-CG 3.33Å; H370-K373 PolarHBondContact O-N 2.92Å; H370-S397 PolarHBondContact ND1-OG 2.8Å
371	F	90.4	Very high	93.5	Very high	11 Å²	11	36.4 Å²	36.4	5%	0.048	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-59.5	-20.7	166.9	-81	-85.4	0	0	0	112.9	P294 Y346 E368 S369 E538	P294-F371 HydrophobicContact CB-CE2 4.46Å; P294-F371 HydrophobicContact CG-CD2 4.36Å; P294-F371 HydrophobicContact CG-CE2 3.76Å; P294-F371 HydrophobicContact CG-CZ 4.38Å; Y346-F371 HydrophobicContact CD1-CB 3.88Å; Y346-F371 HydrophobicContact CD2-CB 3.91Å; Y346-F371 HydrophobicContact CD2-CD1 4.42Å; Y346-F371 HydrophobicContact CD2-CD2 4.06Å; Y346-F371 AromaticContact CD2-CG 3.88Å; Y346-F371 HydrophobicContact CD2-CG 3.88Å; Y346-F371 HydrophobicContact CE1-CB 3.84Å; Y346-F371 HydrophobicContact CE2-CB 3.84Å; Y346-F371 AromaticContact CE2-CD2 3.91Å; Y346-F371 HydrophobicContact CE2-CD2 3.91Å; Y346-F371 HydrophobicContact CE2-CG 4.01Å; Y346-F371 HydrophobicContact CG-CB 3.92Å; Y346-F371 HydrophobicContact CG-CG 4.22Å; E368-F371 HydrophobicContact CB-CD2 3.93Å; E368-F371 HydrophobicContact CB-CE2 4.03Å; E368-F371 WeakPolarHBondContact O-CD2 3.42Å; E368-F371 PolarHBondContact O-N 3Å; S369-F371 PolarHBondContact O-N 2.78Å; F371-E538 HydrophobicContact CE1-CB 4.42Å; F371-E538 WeakPolarHBondContact CE1-OE2 3.46Å; F371-E538 HydrophobicContact CZ-CB 4Å; F371-E538 HydrophobicContact CZ-CG 4.46Å
372	I	91.6	Very high	93.6	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-100.9	45.9	178.5	-43	177.9	0	0	0	111	Y346 A366 S369 H370 T380 A383 L387 P410	Y346-I372 HydrophobicContact CD1-CG1 4.38Å; Y346-I372 HydrophobicContact CE1-CD1 3.89Å; Y346-I372 HydrophobicContact CE1-CG1 3.6Å; A366-I372 HydrophobicContact CB-CD1 4.45Å; S369-I372 WeakPolarHBondContact O-CA 3.41Å; S369-I372 WeakPolarHBondContact O-CB 3.23Å; S369-I372 PolarHBondContact O-N 3.04Å; H370-I372 PolarHBondContact O-N 2.95Å; I372-T380 HydrophobicContact CG2-CG2 3.78Å; I372-A383 HydrophobicContact CD1-CB 3.89Å; I372-A383 HydrophobicContact CG1-CB 4.41Å; I372-A383 HydrophobicContact CG2-CB 4.27Å; I372-L387 HydrophobicContact CD1-CD1 3.77Å; I372-P410 HydrophobicContact CG2-CB 4.28Å; I372-P410 VanDerWaalsContact O-CB 3.3Å; I372-P410 WeakPolarHBondContact O-CB 3.28Å; I372-P410 WeakPolarHBondContact O-CG 3.3Å
373	K	87.3	Confident	93.6	Very high	73 Å²	73	36.6 Å²	36.6	32%	0.317	19%	0.187	S	C	.	.			trans	-91.8	-21.1	-175.6	62.1	-174.1	174.4	-168	0	116.8	H370 E407	H370-K373 WeakPolarHBondContact O-CB 3.43Å; H370-K373 WeakPolarHBondContact O-CD 3.29Å; H370-K373 WeakPolarHBondContact O-CG 3.33Å; H370-K373 PolarHBondContact O-N 2.92Å; K373-E407 HydrophobicContact CB-CB 3.9Å; K373-E407 HydrophobicContact CB-CG 4.21Å; K373-E407 WeakPolarHBondContact O-CA 3.43Å
374	N	88.7	Confident	93.4	Very high	86 Å²	86	38 Å²	38	46%	0.46	20%	0.196	S	C	.	.			trans	-117.9	110.7	-172.4	178.8	-1.6	0	0	0	111.8	K376 A377 T380	N374-K376 PolarHBondContact O-N 2.88Å; N374-K376 PolarHBondContact OD1-N 3.38Å; N374-A377 HydrophobicContact CB-CB 4Å; N374-A377 VanDerWaalsContact O-CB 3.29Å; N374-A377 WeakPolarHBondContact O-CB 2.86Å; N374-A377 PolarHBondContact O-N 3.44Å; N374-T380 WeakPolarHBondContact O-CB 3.39Å; N374-T380 PolarHBondContact O-OG1 3.44Å; N374-T380 VanDerWaalsContact O-OG1 3.04Å
375	I	88.7	Confident	93.3	Very high	67 Å²	67	40.6 Å²	40.6	34%	0.344	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-33	179.1	-56.3	172.5	0	0	0	112.8	K381 F409 P410 F424	I375-K381 WeakPolarHBondContact O-CG 3.1Å; I375-F409 HydrophobicContact CD1-CD1 3.65Å; I375-F409 HydrophobicContact CD1-CE1 4.26Å; I375-F409 HydrophobicContact CG1-CD1 4.41Å; I375-P410 HydrophobicContact CG1-CG 3.77Å; I375-F424 HydrophobicContact CD1-CB 3.94Å; I375-F424 HydrophobicContact CD1-CD1 4.04Å; I375-F424 HydrophobicContact CD1-CD2 3.36Å; I375-F424 HydrophobicContact CD1-CE1 4.41Å; I375-F424 HydrophobicContact CD1-CE2 3.77Å; I375-F424 HydrophobicContact CD1-CG 3.49Å; I375-F424 VanDerWaalsContact CD1-CG 3.49Å; I375-F424 HydrophobicContact CD1-CZ 4.28Å
376	K	90.2	Very high	93.2	Very high	170 Å²	170	40.8 Å²	40.8	74%	0.739	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-20.2	-177.8	-64.3	-178.1	-179.6	177.1	0	113.4	N374 K381	N374-K376 PolarHBondContact O-N 2.88Å; N374-K376 PolarHBondContact OD1-N 3.38Å; K376-K381 VanDerWaalsContact O-CE 3.26Å; K376-K381 WeakPolarHBondContact O-CE 3.48Å; K376-K381 PolarHBondContact O-NZ 3.39Å
377	A	92.7	Very high	93.1	Very high	32 Å²	32	40.9 Å²	40.9	26%	0.264	21%	0.214	S	C	.	.	S	Bend	trans	-66.5	145.7	-177.7	0	0	0	0	0	111.6	N374 R379 T380 K381	N374-A377 HydrophobicContact CB-CB 4Å; N374-A377 VanDerWaalsContact O-CB 3.29Å; N374-A377 WeakPolarHBondContact O-CB 2.86Å; N374-A377 PolarHBondContact O-N 3.44Å; A377-R379 VanDerWaalsContact C-N 3.29Å; A377-R379 PolarHBondContact O-N 3.46Å; A377-T380 PolarHBondContact O-N 3.28Å; A377-K381 WeakPolarHBondContact O-CG 2.85Å; A377-K381 PolarHBondContact O-N 3.23Å
378	A	93.3	Very high	93.1	Very high	67 Å²	67	44.5 Å²	44.5	55%	0.554	23%	0.229	S	C	*	.	H	α-helix	trans	-58.8	-43.2	179.2	0	0	0	0	0	111.4	S350 T380 K381 A382	S350-A378 VanDerWaalsContact OG-C 3.3Å; A378-T380 PolarHBondContact O-N 3.5Å; A378-K381 PolarHBondContact O-N 2.94Å; A378-A382 WeakPolarHBondContact O-CB 3.14Å; A378-A382 PolarHBondContact O-N 3.31Å
379	R	93.8	Very high	93.2	Very high	62 Å²	62	48.5 Å²	48.5	23%	0.234	24%	0.243	C	C	.	.	H	α-helix	trans	-53.7	-51.6	176.4	-60.8	-166.2	-75.1	-164.4	4.8	111.8	D347 S350 A377 A382 A383 E538	D347-R379 IonicContact OD1-NH1 3.22Å; S350-R379 WeakPolarHBondContact OG-CA 3.27Å; S350-R379 PolarHBondContact OG-N 3Å; A377-R379 VanDerWaalsContact C-N 3.29Å; A377-R379 PolarHBondContact O-N 3.46Å; R379-A382 PolarHBondContact O-N 3.44Å; R379-A383 WeakPolarHBondContact O-CB 3.41Å; R379-A383 PolarHBondContact O-N 3.25Å; R379-E538 IonicContact NH2-OE2 3.43Å
380	T	94.9	Very high	93.3	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-66.6	-39.8	179.9	-60	0	0	0	0	112.9	I372 N374 A377 A378 A382 A383 T384 P410	I372-T380 HydrophobicContact CG2-CG2 3.78Å; N374-T380 WeakPolarHBondContact O-CB 3.39Å; N374-T380 PolarHBondContact O-OG1 3.44Å; N374-T380 VanDerWaalsContact O-OG1 3.04Å; A377-T380 PolarHBondContact O-N 3.28Å; A378-T380 PolarHBondContact O-N 3.5Å; T380-A382 VanDerWaalsContact C-N 3.28Å; T380-A382 PolarHBondContact O-N 3.14Å; T380-A383 PolarHBondContact O-N 2.98Å; T380-T384 WeakPolarHBondContact O-CB 3.32Å; T380-T384 PolarHBondContact O-N 3.43Å; T380-T384 PolarHBondContact O-OG1 2.96Å; T380-P410 HydrophobicContact CG2-CB 3.72Å; T380-P410 HydrophobicContact CG2-CG 4.17Å
381	K	95.3	Very high	93.7	Very high	128 Å²	128	54.1 Å²	54.1	56%	0.557	27%	0.268	S	S	*	.	H	α-helix	trans	-63.1	-34.8	176.6	-74.2	173.2	174.2	161.2	0	112.6	I375 K376 A377 A378 P385	I375-K381 WeakPolarHBondContact O-CG 3.1Å; K376-K381 VanDerWaalsContact O-CE 3.26Å; K376-K381 WeakPolarHBondContact O-CE 3.48Å; K376-K381 PolarHBondContact O-NZ 3.39Å; A377-K381 WeakPolarHBondContact O-CG 2.85Å; A377-K381 PolarHBondContact O-N 3.23Å; A378-K381 PolarHBondContact O-N 2.94Å; K381-P385 WeakPolarHBondContact O-CD 3.45Å
382	A	96	Very high	94.1	Very high	18 Å²	18	54.9 Å²	54.9	15%	0.149	27%	0.271	C	S	.	.	H	α-helix	trans	-76.6	-41.9	175.9	0	0	0	0	0	112.5	M349 A378 R379 T380 P385	M349-A382 HydrophobicContact SD-CB 3.84Å; A378-A382 WeakPolarHBondContact O-CB 3.14Å; A378-A382 PolarHBondContact O-N 3.31Å; R379-A382 PolarHBondContact O-N 3.44Å; T380-A382 VanDerWaalsContact C-N 3.28Å; T380-A382 PolarHBondContact O-N 3.14Å; A382-P385 WeakPolarHBondContact O-CD 3.21Å
383	A	97	Very high	94.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.3	-40.5	-178.1	0	0	0	0	0	113.1	M349 I372 R379 T380 I386 L387	M349-A383 HydrophobicContact CE-CB 3.63Å; M349-A383 HydrophobicContact SD-CB 3.92Å; I372-A383 HydrophobicContact CD1-CB 3.89Å; I372-A383 HydrophobicContact CG1-CB 4.41Å; I372-A383 HydrophobicContact CG2-CB 4.27Å; R379-A383 WeakPolarHBondContact O-CB 3.41Å; R379-A383 PolarHBondContact O-N 3.25Å; T380-A383 PolarHBondContact O-N 2.98Å; A383-I386 WeakPolarHBondContact O-CB 3.34Å; A383-I386 PolarHBondContact O-N 3.29Å; A383-I386 VanDerWaalsContact O-N 3.1Å; A383-L387 HydrophobicContact CB-CD1 4.14Å; A383-L387 WeakPolarHBondContact O-CG 3.47Å; A383-L387 PolarHBondContact O-N 2.86Å
384	T	94.6	Very high	95	Very high	29 Å²	29	51.4 Å²	51.4	18%	0.178	26%	0.255	C	S	.	.	H	α-helix	trans	-58.2	-46.9	-169.7	-58.5	0	0	0	0	113	T380 I386 L387 K388	T380-T384 WeakPolarHBondContact O-CB 3.32Å; T380-T384 PolarHBondContact O-N 3.43Å; T380-T384 PolarHBondContact O-OG1 2.96Å; T384-I386 VanDerWaalsContact C-N 3.34Å; T384-I386 PolarHBondContact O-N 3.41Å; T384-L387 PolarHBondContact O-N 3.43Å; T384-K388 HydrophobicContact CG2-CD 3.88Å; T384-K388 HydrophobicContact CG2-CG 4.27Å; T384-K388 WeakPolarHBondContact O-CB 3.38Å; T384-K388 VanDerWaalsContact O-CG 3.3Å; T384-K388 WeakPolarHBondContact O-CG 3.3Å; T384-K388 PolarHBondContact O-N 3.1Å
385	P	95.4	Very high	95.4	Very high	56 Å²	56	47.3 Å²	47.3	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-59.9	-40.9	175.3	-25.2	35.5	0	0	0	113.4	L357 K381 A382 K388 W389	L357-P385 HydrophobicContact CD1-CB 4.18Å; L357-P385 HydrophobicContact CD2-CB 3.96Å; K381-P385 WeakPolarHBondContact O-CD 3.45Å; A382-P385 WeakPolarHBondContact O-CD 3.21Å; P385-K388 PolarHBondContact O-N 3.05Å; P385-W389 VanDerWaalsContact O-CB 3.3Å; P385-W389 WeakPolarHBondContact O-CB 3.42Å; P385-W389 PolarHBondContact O-N 3.04Å
386	I	96.8	Very high	95.8	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-50.2	179.9	-60.5	167.6	0	0	0	109.8	L290 M349 L356 L357 V364 A383 T384 K388 W389 A390	L290-I386 HydrophobicContact CD2-CG2 3.86Å; M349-I386 HydrophobicContact CG-CD1 4.16Å; M349-I386 HydrophobicContact SD-CD1 4.2Å; L356-I386 HydrophobicContact CB-CD1 3.77Å; L356-I386 HydrophobicContact CB-CG1 4.49Å; L356-I386 HydrophobicContact CD1-CD1 4.17Å; L357-I386 HydrophobicContact CB-CG1 4.2Å; L357-I386 HydrophobicContact CD1-CG1 4.38Å; V364-I386 HydrophobicContact CG2-CG2 4.4Å; A383-I386 WeakPolarHBondContact O-CB 3.34Å; A383-I386 PolarHBondContact O-N 3.29Å; A383-I386 VanDerWaalsContact O-N 3.1Å; T384-I386 VanDerWaalsContact C-N 3.34Å; T384-I386 PolarHBondContact O-N 3.41Å; I386-K388 PolarHBondContact O-N 2.77Å; I386-W389 PolarHBondContact O-N 2.96Å; I386-A390 PolarHBondContact O-N 3.17Å
387	L	97.2	Very high	95.8	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-39.2	-179.4	-63.7	168.1	0	0	0	112.3	R261 V364 I372 A383 T384 W389 V393 L395 A414	R261-L387 PolarHBondContact NH2-O 3.12Å; V364-L387 HydrophobicContact CB-CD2 4.19Å; V364-L387 HydrophobicContact CG1-CD2 3.59Å; I372-L387 HydrophobicContact CD1-CD1 3.77Å; A383-L387 HydrophobicContact CB-CD1 4.14Å; A383-L387 WeakPolarHBondContact O-CG 3.47Å; A383-L387 PolarHBondContact O-N 2.86Å; T384-L387 PolarHBondContact O-N 3.43Å; L387-W389 VanDerWaalsContact C-N 3.29Å; L387-W389 PolarHBondContact O-N 3.17Å; L387-V393 HydrophobicContact CB-CG2 4.39Å; L387-V393 HydrophobicContact CD2-CG1 3.98Å; L387-V393 HydrophobicContact CD2-CG2 4.45Å; L387-V393 WeakPolarHBondContact O-CG2 3.3Å; L387-L395 HydrophobicContact CD1-CD2 4.39Å; L387-L395 HydrophobicContact CD2-CD2 4.2Å; L387-A414 HydrophobicContact CB-CB 3.82Å; L387-A414 HydrophobicContact CD1-CB 3.74Å; L387-A414 HydrophobicContact CG-CB 4.4Å
388	K	94.8	Very high	95.3	Very high	91 Å²	91	34.6 Å²	34.6	40%	0.396	17%	0.171	S	C	.	.	H	α-helix	trans	-68.8	-29.7	176.4	-74.1	-174.3	175.4	-177.8	0	112.7	T384 P385 I386 S413 P417	T384-K388 HydrophobicContact CG2-CD 3.88Å; T384-K388 HydrophobicContact CG2-CG 4.27Å; T384-K388 WeakPolarHBondContact O-CB 3.38Å; T384-K388 VanDerWaalsContact O-CG 3.3Å; T384-K388 WeakPolarHBondContact O-CG 3.3Å; T384-K388 PolarHBondContact O-N 3.1Å; P385-K388 PolarHBondContact O-N 3.05Å; I386-K388 PolarHBondContact O-N 2.77Å; K388-S413 WeakPolarHBondContact CE-O 3.25Å; K388-S413 VanDerWaalsContact CE-OG 3.27Å; K388-S413 WeakPolarHBondContact CE-OG 3.45Å; K388-S413 PolarHBondContact NZ-OG 2.99Å; K388-P417 HydrophobicContact CD-CG 4.4Å; K388-P417 HydrophobicContact CG-CG 4.17Å
389	W	94.8	Very high	94.7	Very high	117 Å²	117	32.7 Å²	32.7	44%	0.443	15%	0.152	S	C	.	.	H	α-helix	trans	-74.5	-43.5	177.8	-173.4	93.6	0	0	0	112.2	L357 R360 Y361 P385 I386 L387	L357-W389 HydrophobicContact CD1-CB 3.92Å; L357-W389 HydrophobicContact CD1-CG 4.26Å; R360-W389 VanDerWaalsContact CA-CZ3 3.4Å; R360-W389 HydrophobicContact CB-CE3 4.31Å; R360-W389 HydrophobicContact CB-CH2 3.3Å; R360-W389 HydrophobicContact CB-CZ2 3.45Å; R360-W389 VanDerWaalsContact CB-CZ2 3.45Å; R360-W389 HydrophobicContact CB-CZ3 3.76Å; R360-W389 HydrophobicContact CG-CD2 4.37Å; R360-W389 HydrophobicContact CG-CH2 3.82Å; R360-W389 HydrophobicContact CG-CZ2 3.36Å; R360-W389 HydrophobicContact CG-CZ3 4.43Å; R360-W389 VanDerWaalsContact O-CH2 3.25Å; R360-W389 WeakPolarHBondContact O-CH2 3.2Å; R360-W389 WeakPolarHBondContact O-CZ3 3.31Å; Y361-W389 WeakPolarHBondContact O-CZ3 3.29Å; P385-W389 VanDerWaalsContact O-CB 3.3Å; P385-W389 WeakPolarHBondContact O-CB 3.42Å; P385-W389 PolarHBondContact O-N 3.04Å; I386-W389 PolarHBondContact O-N 2.96Å; L387-W389 VanDerWaalsContact C-N 3.29Å; L387-W389 PolarHBondContact O-N 3.17Å
390	A	97.1	Very high	93.4	Very high	3 Å²	3	30 Å²	30	3%	0.025	14%	0.143	C	C	.	.	S	Bend	trans	-54.8	146.9	-177.5	0	0	0	0	0	111.8	R261 Y361 V364 I386 V393	R261-A390 PolarHBondContact NH1-O 3.44Å; Y361-A390 WeakPolarHBondContact O-CA 3.31Å; Y361-A390 WeakPolarHBondContact O-CB 3.32Å; V364-A390 HydrophobicContact CB-CB 4.17Å; V364-A390 HydrophobicContact CG2-CB 3.43Å; V364-A390 VanDerWaalsContact CG2-CB 3.43Å; I386-A390 PolarHBondContact O-N 3.17Å; A390-V393 HydrophobicContact CB-CG2 4.09Å
391	K	97.3	Very high	92	Very high	117 Å²	117	31.8 Å²	31.8	51%	0.509	16%	0.158	S	C	.	.	S	Bend	trans	-75.4	-41.2	178.1	-169.9	171	175.6	-163.9	0	110.8	R261 E286 G362	R261-K391 PolarHBondContact NH1-O 2.97Å; E286-K391 VanDerWaalsContact OE1-CE 3.29Å; E286-K391 WeakPolarHBondContact OE1-CE 3.24Å; E286-K391 IonicContact OE1-NZ 3.01Å; E286-K391 PolarHBondContact OE1-NZ 3.43Å; E286-K391 VanDerWaalsContact OE2-CD 3.3Å; E286-K391 WeakPolarHBondContact OE2-CD 3.1Å; E286-K391 IonicContact OE2-NZ 3.55Å; G362-K391 WeakPolarHBondContact O-CA 3.37Å; G362-K391 WeakPolarHBondContact O-CB 3.39Å; G362-K391 PolarHBondContact O-N 2.85Å
392	R	98.1	Very high	90.3	Very high	28 Å²	28	29.1 Å²	29.1	11%	0.106	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138	176.6	-46.4	-59.3	172.8	-178.4	3.5	110.2	S259 G260 Y283 E286 G362 V363 V364	S259-R392 VanDerWaalsContact C-NH1 3.28Å; S259-R392 VanDerWaalsContact CB-NH1 3.35Å; S259-R392 WeakPolarHBondContact O-CD 3.37Å; S259-R392 PolarHBondContact O-NH1 2.75Å; G260-R392 CarbonylContact O-C 3.57Å; G260-R392 WeakPolarHBondContact O-CA 3.42Å; Y283-R392 HydrophobicContact CD1-CG 4.34Å; Y283-R392 HydrophobicContact CD2-CG 3.84Å; Y283-R392 HydrophobicContact CE2-CG 4.3Å; Y283-R392 HydrophobicContact CG-CG 3.85Å; E286-R392 IonicContact OE1-CZ 3.07Å; E286-R392 IonicContact OE1-NE 3.56Å; E286-R392 IonicContact OE1-NH2 3.93Å; E286-R392 PolarHBondContact OE1-NH2 2.9Å; E286-R392 WeakPolarHBondContact OE2-CG 3.3Å; E286-R392 IonicContact OE2-CZ 2.65Å; E286-R392 IonicContact OE2-NE 2.74Å; E286-R392 PolarHBondContact OE2-NE 2.84Å; E286-R392 IonicContact OE2-NH2 3.45Å; E286-R392 PolarHBondContact OE2-NH2 3.04Å; G362-R392 PolarHBondContact O-N 3.47Å; V363-R392 HydrophobicContact CB-CB 4.33Å; V363-R392 HydrophobicContact CG1-CB 4.07Å; V363-R392 HydrophobicContact CG2-CB 4.08Å; V363-R392 HydrophobicContact CG2-CG 3.98Å; V364-R392 PolarHBondContact N-O 2.99Å
393	V	98.4	Very high	89.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	115.4	-179.8	173.2	0	0	0	0	109.2	G260 R261 V262 V364 L387 A390 L395 I415	G260-V393 CarbonylContact O-C 3.6Å; G260-V393 PolarHBondContact O-N 2.92Å; G260-V393 VanDerWaalsContact O-O 3.12Å; R261-V393 CarbonylContact C-O 3.59Å; R261-V393 VanDerWaalsContact CA-O 3.26Å; R261-V393 WeakPolarHBondContact CA-O 3.31Å; R261-V393 VanDerWaalsContact NH2-CG2 3.28Å; V262-V393 PolarHBondContact N-O 3.35Å; V364-V393 WeakPolarHBondContact O-CA 3.48Å; L387-V393 HydrophobicContact CB-CG2 4.39Å; L387-V393 HydrophobicContact CD2-CG1 3.98Å; L387-V393 HydrophobicContact CD2-CG2 4.45Å; L387-V393 WeakPolarHBondContact O-CG2 3.3Å; A390-V393 HydrophobicContact CB-CG2 4.09Å; V393-L395 HydrophobicContact CG1-CD2 3.71Å; V393-L395 HydrophobicContact CG1-CG 3.95Å; V393-I415 HydrophobicContact CG1-CG1 4.25Å
394	I	98.7	Very high	88.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	101.5	-178.8	-51.7	160.3	0	0	0	106.8	V262 L264 I279 A280 V363 V364 I365 A366 L396	V262-I394 HydrophobicContact CG2-CG2 4.34Å; L264-I394 HydrophobicContact CD1-CG2 4.01Å; L264-I394 HydrophobicContact CG-CG2 4.27Å; I279-I394 HydrophobicContact CB-CD1 3.93Å; I279-I394 HydrophobicContact CG2-CD1 3.63Å; I279-I394 HydrophobicContact CG2-CG1 4.09Å; A280-I394 HydrophobicContact CB-CD1 4.27Å; V363-I394 HydrophobicContact CG1-CD1 4.45Å; V364-I394 PolarHBondContact O-N 3.37Å; I365-I394 CarbonylContact C-O 3.28Å; I365-I394 VanDerWaalsContact CA-O 3.31Å; I365-I394 WeakPolarHBondContact CA-O 3.46Å; I365-I394 HydrophobicContact CG1-CB 4.21Å; I365-I394 HydrophobicContact CG1-CD1 4.04Å; A366-I394 PolarHBondContact N-O 2.85Å; I394-L396 HydrophobicContact CG2-CD2 3.74Å
395	L	98.1	Very high	88.5	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	134	175.7	-56.5	-170.5	0	0	0	109	V262 L263 L264 A366 L387 V393 Q411 I415	V262-L395 PolarHBondContact O-N 2.91Å; L263-L395 CarbonylContact C-O 3.51Å; L263-L395 WeakPolarHBondContact CA-O 3.32Å; L263-L395 HydrophobicContact CD1-CB 3.71Å; L264-L395 PolarHBondContact N-O 3.19Å; A366-L395 HydrophobicContact CB-CD2 3.67Å; L387-L395 HydrophobicContact CD1-CD2 4.39Å; L387-L395 HydrophobicContact CD2-CD2 4.2Å; V393-L395 HydrophobicContact CG1-CD2 3.71Å; V393-L395 HydrophobicContact CG1-CG 3.95Å; L395-Q411 HydrophobicContact CD1-CB 3.73Å; L395-Q411 HydrophobicContact CD1-CG 4.15Å; L395-I415 HydrophobicContact CB-CD1 4.37Å; L395-I415 HydrophobicContact CD1-CD1 3.67Å; L395-I415 HydrophobicContact CD1-CG1 3.76Å; L395-I415 HydrophobicContact CG-CD1 3.97Å; L395-I415 HydrophobicContact CG-CG1 3.99Å
396	L	97	Very high	88.4	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.5	178.4	-41	-180	0	0	0	109.2	L264 K272 W301 I365 A366 D367 E368 S369 I394	L264-L396 HydrophobicContact CB-CD2 3.77Å; L264-L396 HydrophobicContact CD1-CD2 3.63Å; L264-L396 HydrophobicContact CG-CD2 4.02Å; K272-L396 HydrophobicContact CD-CB 4.32Å; W301-L396 HydrophobicContact CH2-CD1 3.75Å; W301-L396 HydrophobicContact CZ2-CD1 3.74Å; I365-L396 HydrophobicContact CG2-CD1 3.96Å; I365-L396 HydrophobicContact CG2-CG 4.2Å; A366-L396 PolarHBondContact O-N 2.73Å; D367-L396 HydrophobicContact CB-CD1 4.28Å; E368-L396 CarbonylContact C-O 3.58Å; E368-L396 WeakPolarHBondContact CA-O 3.34Å; E368-L396 PolarHBondContact N-O 2.94Å; S369-L396 PolarHBondContact N-O 3.05Å; S369-L396 PolarHBondContact OG-O 3.16Å; I394-L396 HydrophobicContact CG2-CD2 3.74Å
397	S	90.7	Very high	88.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.			trans	-167.7	126.8	167.7	-175.2	0	0	0	0	110.9	L264 A265 H370 T399	L264-S397 PolarHBondContact O-N 2.92Å; L264-S397 VanDerWaalsContact O-N 3.11Å; A265-S397 VanDerWaalsContact CA-O 3.23Å; A265-S397 WeakPolarHBondContact CA-O 3.31Å; H370-S397 PolarHBondContact ND1-OG 2.8Å; S397-T399 PolarHBondContact O-N 2.83Å; S397-T399 VanDerWaalsContact OG-C 3.32Å; S397-T399 PolarHBondContact OG-N 3.31Å; S397-T399 PolarHBondContact OG-O 3.46Å
398	G	82.2	Confident	87.9	Confident	3 Å²	3	37 Å²	37	3%	0.031	18%	0.183	C	C	.	.	S	Bend	trans	-68	-20.5	171.6	0	0	0	0	0	113.3	R463	G398-R463 PolarHBondContact O-NH2 2.91Å
399	T	80	Confident	87.9	Confident	26 Å²	26	33.6 Å²	33.6	16%	0.16	17%	0.168	C	C	.	.			trans	-129.2	64.2	-176	44.2	0	0	0	0	110.7	S397 A401 C539 H541	S397-T399 PolarHBondContact O-N 2.83Å; S397-T399 VanDerWaalsContact OG-C 3.32Å; S397-T399 PolarHBondContact OG-N 3.31Å; S397-T399 PolarHBondContact OG-O 3.46Å; T399-A401 PolarHBondContact O-N 3.03Å; T399-A401 VanDerWaalsContact O-N 3.16Å; T399-C539 PolarHBondContact OG1-O 3.4Å; T399-H541 WeakPolarHBondContact CG2-CE1 3.44Å; T399-H541 VanDerWaalsContact CG2-NE2 3.29Å; T399-H541 WeakPolarHBondContact CG2-NE2 3.42Å
400	P	67.4	Low	87.8	Confident	6 Å²	6	28.2 Å²	28.2	4%	0.039	15%	0.148	C	C	.	.	S	Bend	trans	-63.3	-28.7	-171.6	26.7	-35.9	0	0	0	113.5	L263 A265 L408 Q411	L263-P400 HydrophobicContact CD1-CB 4.38Å; L263-P400 HydrophobicContact CD2-CB 3.81Å; L263-P400 HydrophobicContact CD2-CG 4.35Å; A265-P400 HydrophobicContact CB-CG 4.05Å; P400-L408 HydrophobicContact CB-CD2 3.98Å; P400-L408 HydrophobicContact CG-CD2 4.49Å; P400-Q411 PolarHBondContact O-NE2 3.19Å
401	A	65.4	Low	87.7	Confident	40 Å²	40	28.2 Å²	28.2	33%	0.331	15%	0.148	S	C	.	.			trans	-117.5	131	166.2	0	0	0	0	0	109	T399 L408	T399-A401 PolarHBondContact O-N 3.03Å; T399-A401 VanDerWaalsContact O-N 3.16Å; A401-L408 HydrophobicContact CB-CD1 4.01Å; A401-L408 HydrophobicContact CB-CD2 3.73Å; A401-L408 HydrophobicContact CB-CG 3.71Å
402	M	59.4	Low	87.6	Confident	71 Å²	71	22.9 Å²	22.9	35%	0.35	13%	0.125	S	C	.	.	S	Bend	trans	-93.5	-38.4	179.8	-66.9	-72	-71.5	0	0	111.1	E407	M402-E407 PolarHBondContact N-OE2 3.21Å
403	S	73.4	Confident	87.5	Confident	83 Å²	83	22.2 Å²	22.2	58%	0.58	12%	0.124	S	C	*	.	S	Bend	trans	-145.3	-31.8	-173.1	75.2	0	0	0	0	115.3	E407	S403-E407 PolarHBondContact N-OE2 3.04Å; S403-E407 PolarHBondContact OG-OE1 2.95Å
404	R	86.8	Confident	87.3	Confident	125 Å²	125	22.2 Å²	22.2	47%	0.472	12%	0.124	S	C	.	.			trans	-141.6	146.2	-169.5	-69.2	-179.3	179.1	118.4	-1.1	112.4	A406 E407 S444	R404-A406 PolarHBondContact O-N 3Å; R404-E407 HydrophobicContact CB-CG 4.39Å; R404-E407 PolarHBondContact N-OE2 3.44Å; R404-E407 VanDerWaalsContact O-CB 3.27Å; R404-E407 WeakPolarHBondContact O-CB 3.49Å; R404-E407 PolarHBondContact O-N 3.4Å; R404-S444 WeakPolarHBondContact CD-O 3.1Å; R404-S444 PolarHBondContact NE-O 3.25Å
405	P	90.5	Very high	87.1	Confident	5 Å²	5	22.4 Å²	22.4	3%	0.032	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-59.8	-30.7	177.7	20.7	-29.6	0	0	0	112.9	E407 L408 F427 Y431 C446 M449 L452	P405-E407 PolarHBondContact O-N 2.94Å; P405-E407 VanDerWaalsContact O-N 3.1Å; P405-L408 WeakPolarHBondContact O-CB 3.45Å; P405-L408 PolarHBondContact O-N 3.18Å; P405-F427 HydrophobicContact CB-CE1 4.38Å; P405-F427 HydrophobicContact CB-CZ 4.4Å; P405-F427 VanDerWaalsContact O-CE1 3.3Å; P405-F427 WeakPolarHBondContact O-CE1 3.12Å; P405-F427 WeakPolarHBondContact O-CZ 3.29Å; P405-Y431 WeakPolarHBondContact CG-O 3.45Å; P405-C446 HydrophobicContact CG-CB 4.01Å; P405-M449 HydrophobicContact CB-CE 4.2Å; P405-M449 HydrophobicContact CB-SD 4.04Å; P405-M449 HydrophobicContact CG-SD 4.03Å; P405-L452 HydrophobicContact CB-CD2 4.06Å
406	A	92.4	Very high	87	Confident	20 Å²	20	24.1 Å²	24.1	17%	0.165	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-55.4	-28.1	176	0	0	0	0	0	113.5	R404 L408 F409 F424	R404-A406 PolarHBondContact O-N 3Å; A406-L408 VanDerWaalsContact C-N 3.27Å; A406-L408 PolarHBondContact O-N 3.29Å; A406-F409 PolarHBondContact O-N 3.2Å; A406-F424 HydrophobicContact CB-CE2 4.16Å; A406-F424 HydrophobicContact CB-CZ 4.2Å
407	E	91.1	Very high	86.7	Confident	28 Å²	28	26.6 Å²	26.6	13%	0.131	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-70.5	-22.4	179.7	-63.5	174.2	168.6	0	0	113.1	K373 M402 S403 R404 P405 Q411	K373-E407 HydrophobicContact CB-CB 3.9Å; K373-E407 HydrophobicContact CB-CG 4.21Å; K373-E407 WeakPolarHBondContact O-CA 3.43Å; M402-E407 PolarHBondContact N-OE2 3.21Å; S403-E407 PolarHBondContact N-OE2 3.04Å; S403-E407 PolarHBondContact OG-OE1 2.95Å; R404-E407 HydrophobicContact CB-CG 4.39Å; R404-E407 PolarHBondContact N-OE2 3.44Å; R404-E407 VanDerWaalsContact O-CB 3.27Å; R404-E407 WeakPolarHBondContact O-CB 3.49Å; R404-E407 PolarHBondContact O-N 3.4Å; P405-E407 PolarHBondContact O-N 2.94Å; P405-E407 VanDerWaalsContact O-N 3.1Å; E407-Q411 PolarHBondContact O-NE2 3.04Å
408	L	92.5	Very high	86.8	Confident	13 Å²	13	32.4 Å²	32.4	7%	0.068	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-30.8	178.6	-67.5	167.5	0	0	0	112.1	P400 A401 P405 A406 P410 Q411 I412 L452 L456	P400-L408 HydrophobicContact CB-CD2 3.98Å; P400-L408 HydrophobicContact CG-CD2 4.49Å; A401-L408 HydrophobicContact CB-CD1 4.01Å; A401-L408 HydrophobicContact CB-CD2 3.73Å; A401-L408 HydrophobicContact CB-CG 3.71Å; P405-L408 WeakPolarHBondContact O-CB 3.45Å; P405-L408 PolarHBondContact O-N 3.18Å; A406-L408 VanDerWaalsContact C-N 3.27Å; A406-L408 PolarHBondContact O-N 3.29Å; L408-P410 VanDerWaalsContact C-CD 3.46Å; L408-Q411 WeakPolarHBondContact O-CB 3.39Å; L408-Q411 PolarHBondContact O-N 3.23Å; L408-I412 HydrophobicContact CB-CD1 3.77Å; L408-I412 HydrophobicContact CB-CG1 4.34Å; L408-I412 WeakPolarHBondContact O-CG1 3.38Å; L408-I412 PolarHBondContact O-N 3.01Å; L408-L452 HydrophobicContact CD1-CD2 4.15Å; L408-L456 HydrophobicContact CD1-CD1 4.06Å
409	F	94.4	Very high	87.3	Confident	20 Å²	20	32.8 Å²	32.8	9%	0.088	19%	0.186	C	C	.	.	H	α-helix	trans	-55.7	-43.4	-169.5	-175.8	-93.9	0	0	0	114.7	I375 A406 Q411 I412 S413 F420 F424 F427	I375-F409 HydrophobicContact CD1-CD1 3.65Å; I375-F409 HydrophobicContact CD1-CE1 4.26Å; I375-F409 HydrophobicContact CG1-CD1 4.41Å; A406-F409 PolarHBondContact O-N 3.2Å; F409-Q411 VanDerWaalsContact C-N 3.3Å; F409-Q411 PolarHBondContact O-N 2.92Å; F409-I412 PolarHBondContact O-N 2.98Å; F409-S413 WeakPolarHBondContact O-CB 3.43Å; F409-S413 PolarHBondContact O-N 2.75Å; F409-F420 HydrophobicContact CE2-CB 4.36Å; F409-F420 HydrophobicContact CE2-CD2 4.43Å; F409-F424 HydrophobicContact CB-CD2 3.85Å; F409-F424 HydrophobicContact CB-CE2 4.17Å; F409-F424 HydrophobicContact CD1-CB 3.91Å; F409-F424 AromaticContact CD1-CD2 3.61Å; F409-F424 HydrophobicContact CD1-CD2 3.61Å; F409-F424 HydrophobicContact CD1-CG 4.2Å; F409-F424 HydrophobicContact CD2-CD2 4.22Å; F409-F424 HydrophobicContact CE1-CB 3.63Å; F409-F424 HydrophobicContact CE1-CD2 4.23Å; F409-F424 HydrophobicContact CE1-CG 4.41Å; F409-F424 HydrophobicContact CE2-CB 4.46Å; F409-F424 HydrophobicContact CG-CB 4.45Å; F409-F424 AromaticContact CG-CD2 3.6Å; F409-F424 HydrophobicContact CG-CD2 3.6Å; F409-F424 HydrophobicContact CG-CE2 4.41Å; F409-F424 VanDerWaalsContact CZ-CA 3.49Å; F409-F424 HydrophobicContact CZ-CB 3.94Å; F409-F427 HydrophobicContact CB-CD1 4Å; F409-F427 HydrophobicContact CB-CE1 4.05Å; F409-F427 HydrophobicContact CB-CG 4.46Å; F409-F427 HydrophobicContact CD2-CB 3.59Å; F409-F427 AromaticContact CD2-CD1 3.85Å; F409-F427 HydrophobicContact CD2-CD1 3.85Å; F409-F427 AromaticContact CD2-CD2 3.88Å; F409-F427 HydrophobicContact CD2-CD2 3.88Å; F409-F427 AromaticContact CD2-CG 3.49Å; F409-F427 HydrophobicContact CD2-CG 3.49Å; F409-F427 VanDerWaalsContact CD2-CG 3.49Å; F409-F427 HydrophobicContact CE2-CB 3.8Å; F409-F427 HydrophobicContact CE2-CG 4.18Å; F409-F427 HydrophobicContact CG-CD1 4.28Å; F409-F427 HydrophobicContact CG-CG 4.35Å
410	P	93.9	Very high	88	Confident	4 Å²	4	31.9 Å²	31.9	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-40	177.8	-14.9	25.1	0	0	0	112.5	I372 I375 T380 L408 S413 A414	I372-P410 HydrophobicContact CG2-CB 4.28Å; I372-P410 VanDerWaalsContact O-CB 3.3Å; I372-P410 WeakPolarHBondContact O-CB 3.28Å; I372-P410 WeakPolarHBondContact O-CG 3.3Å; I375-P410 HydrophobicContact CG1-CG 3.77Å; T380-P410 HydrophobicContact CG2-CB 3.72Å; T380-P410 HydrophobicContact CG2-CG 4.17Å; L408-P410 VanDerWaalsContact C-CD 3.46Å; P410-S413 PolarHBondContact O-N 3.44Å; P410-A414 WeakPolarHBondContact O-CB 3.3Å; P410-A414 PolarHBondContact O-N 2.78Å
411	Q	94.8	Very high	89.1	Confident	3 Å²	3	37.5 Å²	37.5	1%	0.014	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-44.4	177.7	-62.7	177.1	72.3	0	0	110.8	S369 L395 P400 E407 L408 F409 S413 A414 I415	S369-Q411 PolarHBondContact OG-OE1 2.89Å; L395-Q411 HydrophobicContact CD1-CB 3.73Å; L395-Q411 HydrophobicContact CD1-CG 4.15Å; P400-Q411 PolarHBondContact O-NE2 3.19Å; E407-Q411 PolarHBondContact O-NE2 3.04Å; L408-Q411 WeakPolarHBondContact O-CB 3.39Å; L408-Q411 PolarHBondContact O-N 3.23Å; F409-Q411 VanDerWaalsContact C-N 3.3Å; F409-Q411 PolarHBondContact O-N 2.92Å; Q411-S413 PolarHBondContact O-N 3.45Å; Q411-A414 WeakPolarHBondContact O-CB 3.26Å; Q411-A414 PolarHBondContact O-N 3.02Å; Q411-I415 WeakPolarHBondContact O-CG1 3.49Å; Q411-I415 PolarHBondContact O-N 2.88Å; Q411-I415 VanDerWaalsContact O-N 3.1Å
412	I	95.1	Very high	90.3	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-58.1	-49.1	174.4	-63.8	165.4	0	0	0	110.5	L408 F409 A414 I415 S416 L419 F420 F427 L456 I460	L408-I412 HydrophobicContact CB-CD1 3.77Å; L408-I412 HydrophobicContact CB-CG1 4.34Å; L408-I412 WeakPolarHBondContact O-CG1 3.38Å; L408-I412 PolarHBondContact O-N 3.01Å; F409-I412 PolarHBondContact O-N 2.98Å; I412-A414 VanDerWaalsContact C-N 3.27Å; I412-A414 PolarHBondContact O-N 2.98Å; I412-I415 PolarHBondContact O-N 3.08Å; I412-S416 CarbonylContact O-C 3.44Å; I412-S416 PolarHBondContact O-N 2.63Å; I412-L419 HydrophobicContact CG2-CB 4.46Å; I412-L419 HydrophobicContact CG2-CD2 3.83Å; I412-F420 HydrophobicContact CD1-CE2 4.22Å; I412-F420 HydrophobicContact CG2-CD2 3.97Å; I412-F420 HydrophobicContact CG2-CE2 3.88Å; I412-F427 HydrophobicContact CD1-CE2 3.76Å; I412-F427 HydrophobicContact CD1-CZ 4.13Å; I412-L456 HydrophobicContact CD1-CD2 3.73Å; I412-L456 HydrophobicContact CG1-CD2 3.75Å; I412-I460 HydrophobicContact CB-CD1 4.24Å; I412-I460 HydrophobicContact CG1-CD1 4.04Å; I412-I460 HydrophobicContact CG2-CD1 4.04Å
413	S	94.6	Very high	91.9	Very high	14 Å²	14	35.6 Å²	35.6	10%	0.098	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-28.2	-178.5	-165.5	0	0	0	0	112.5	K388 F409 P410 Q411 P417	K388-S413 WeakPolarHBondContact CE-O 3.25Å; K388-S413 VanDerWaalsContact CE-OG 3.27Å; K388-S413 WeakPolarHBondContact CE-OG 3.45Å; K388-S413 PolarHBondContact NZ-OG 2.99Å; F409-S413 WeakPolarHBondContact O-CB 3.43Å; F409-S413 PolarHBondContact O-N 2.75Å; P410-S413 PolarHBondContact O-N 3.44Å; Q411-S413 PolarHBondContact O-N 3.45Å; S413-P417 WeakPolarHBondContact O-CA 3.19Å; S413-P417 WeakPolarHBondContact O-CG 3.3Å
414	A	94.5	Very high	92.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.6	-42.3	173.1	0	0	0	0	0	111.7	R261 L387 P410 Q411 I412	R261-A414 PolarHBondContact NH2-O 2.88Å; L387-A414 HydrophobicContact CB-CB 3.82Å; L387-A414 HydrophobicContact CD1-CB 3.74Å; L387-A414 HydrophobicContact CG-CB 4.4Å; P410-A414 WeakPolarHBondContact O-CB 3.3Å; P410-A414 PolarHBondContact O-N 2.78Å; Q411-A414 WeakPolarHBondContact O-CB 3.26Å; Q411-A414 PolarHBondContact O-N 3.02Å; I412-A414 VanDerWaalsContact C-N 3.27Å; I412-A414 PolarHBondContact O-N 2.98Å
415	I	96	Very high	93.3	Very high	4 Å²	4	32 Å²	32	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-77.8	-49.1	-179.3	-62.6	167.7	0	0	0	111.4	R261 V262 L263 V393 L395 Q411 I412 I460	R261-I415 VanDerWaalsContact C-CG2 3.42Å; R261-I415 HydrophobicContact CB-CG2 3.86Å; R261-I415 PolarHBondContact NE-O 3.44Å; R261-I415 VanDerWaalsContact O-CG2 3.25Å; R261-I415 WeakPolarHBondContact O-CG2 3.48Å; V262-I415 VanDerWaalsContact C-CD1 3.48Å; L263-I415 HydrophobicContact CB-CD1 3.52Å; V393-I415 HydrophobicContact CG1-CG1 4.25Å; L395-I415 HydrophobicContact CB-CD1 4.37Å; L395-I415 HydrophobicContact CD1-CD1 3.67Å; L395-I415 HydrophobicContact CD1-CG1 3.76Å; L395-I415 HydrophobicContact CG-CD1 3.97Å; L395-I415 HydrophobicContact CG-CG1 3.99Å; Q411-I415 WeakPolarHBondContact O-CG1 3.49Å; Q411-I415 PolarHBondContact O-N 2.88Å; Q411-I415 VanDerWaalsContact O-N 3.1Å; I412-I415 PolarHBondContact O-N 3.08Å; I415-I460 HydrophobicContact CB-CD1 4.48Å; I415-I460 HydrophobicContact CD1-CD1 4.41Å; I415-I460 HydrophobicContact CG2-CB 3.91Å; I415-I460 HydrophobicContact CG2-CG2 3.8Å
416	S	94.9	Very high	93.5	Very high	37 Å²	37	34.2 Å²	34.2	26%	0.259	20%	0.196	S	C	.	.			trans	-135.6	86.2	-176.4	-170.4	0	0	0	0	110.4	I412 N418 L419	I412-S416 CarbonylContact O-C 3.44Å; I412-S416 PolarHBondContact O-N 2.63Å; S416-N418 PolarHBondContact O-N 3.13Å; S416-L419 WeakPolarHBondContact O-CB 3.48Å; S416-L419 PolarHBondContact O-N 2.8Å; S416-L419 VanDerWaalsContact O-N 3.14Å
417	P	91.3	Very high	93.7	Very high	51 Å²	51	33.2 Å²	33.2	33%	0.331	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27	-175.9	-25.2	32.3	0	0	0	114.5	K388 S413	K388-P417 HydrophobicContact CD-CG 4.4Å; K388-P417 HydrophobicContact CG-CG 4.17Å; S413-P417 WeakPolarHBondContact O-CA 3.19Å; S413-P417 WeakPolarHBondContact O-CG 3.3Å
418	N	91.7	Very high	93.9	Very high	122 Å²	122	31.9 Å²	31.9	65%	0.652	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.7	12.1	-174.6	-59.8	-32.1	0	0	0	113.1	S416	S416-N418 PolarHBondContact O-N 3.13Å
419	L	93.5	Very high	94	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.063	20%	0.2	C	C	.	.	S	Bend	trans	-65.5	-46.4	177.3	-173.9	59.7	0	0	0	111.1	A200 I204 I412 S416 V455 I460	A200-L419 HydrophobicContact CB-CD1 4.08Å; A200-L419 HydrophobicContact CB-CG 4.39Å; A200-L419 WeakPolarHBondContact CB-O 3.45Å; I204-L419 HydrophobicContact CD1-CD1 4.13Å; I412-L419 HydrophobicContact CG2-CB 4.46Å; I412-L419 HydrophobicContact CG2-CD2 3.83Å; S416-L419 WeakPolarHBondContact O-CB 3.48Å; S416-L419 PolarHBondContact O-N 2.8Å; S416-L419 VanDerWaalsContact O-N 3.14Å; L419-V455 HydrophobicContact CD2-CG1 4.33Å; L419-I460 HydrophobicContact CD2-CD1 4.43Å
420	F	94.2	Very high	94.1	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.026	20%	0.201	C	C	.	.	S	Bend	trans	-113.1	97.4	173.9	-60.5	-66.8	0	0	0	108.9	A200 F409 I412 G422 G423 F427 Y431 L452 V455	A200-F420 HydrophobicContact CB-CD1 4.21Å; A200-F420 HydrophobicContact CB-CE1 3.91Å; F409-F420 HydrophobicContact CE2-CB 4.36Å; F409-F420 HydrophobicContact CE2-CD2 4.43Å; I412-F420 HydrophobicContact CD1-CE2 4.22Å; I412-F420 HydrophobicContact CG2-CD2 3.97Å; I412-F420 HydrophobicContact CG2-CE2 3.88Å; F420-G422 PolarHBondContact O-N 2.8Å; F420-G423 PolarHBondContact O-N 3.42Å; F420-F427 HydrophobicContact CD1-CD2 4.47Å; F420-F427 AromaticContact CD2-CD2 3.66Å; F420-F427 HydrophobicContact CD2-CD2 3.66Å; F420-F427 HydrophobicContact CD2-CE2 4.34Å; F420-F427 HydrophobicContact CE1-CD2 4.36Å; F420-F427 AromaticContact CE2-CD2 3.5Å; F420-F427 HydrophobicContact CE2-CD2 3.5Å; F420-F427 VanDerWaalsContact CE2-CD2 3.5Å; F420-F427 AromaticContact CE2-CE2 3.78Å; F420-F427 HydrophobicContact CE2-CE2 3.78Å; F420-F427 HydrophobicContact CG-CD2 4.15Å; F420-F427 AromaticContact CZ-CD2 3.88Å; F420-F427 HydrophobicContact CZ-CD2 3.88Å; F420-F427 HydrophobicContact CZ-CE2 4.12Å; F420-Y431 HydrophobicContact CD1-CE2 4.43Å; F420-Y431 AromaticContact CE1-CE2 3.57Å; F420-Y431 HydrophobicContact CE1-CE2 3.57Å; F420-Y431 AromaticContact CZ-CE2 3.75Å; F420-Y431 HydrophobicContact CZ-CE2 3.75Å; F420-L452 HydrophobicContact CZ-CD1 4.31Å; F420-V455 HydrophobicContact CZ-CG1 4.2Å
421	Q	89.9	Confident	94.2	Very high	124 Å²	124	35.6 Å²	35.6	58%	0.579	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-31.3	-167	-63.6	-178.6	30.8	0	0	113.3	G423 E426	Q421-G423 PolarHBondContact O-N 3.33Å; Q421-E426 PolarHBondContact N-OE2 2.98Å; Q421-E426 VanDerWaalsContact N-OE2 3.12Å
422	G	91.9	Very high	94.3	Very high	49 Å²	49	35.4 Å²	35.4	51%	0.505	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	6.7	171.2	0	0	0	0	0	113.5	F420 E426	F420-G422 PolarHBondContact O-N 2.8Å; G422-E426 WeakPolarHBondContact CA-OE2 3.33Å; G422-E426 PolarHBondContact N-OE2 3.33Å
423	G	93.3	Very high	94.2	Very high	23 Å²	23	37.2 Å²	37.2	24%	0.237	21%	0.213	C	C	.	.	H	α-helix	trans	66.6	-149.3	175.2	0	0	0	0	0	113.2	F420 Q421 H425 E426 F427	F420-G423 PolarHBondContact O-N 3.42Å; Q421-G423 PolarHBondContact O-N 3.33Å; G423-H425 VanDerWaalsContact C-N 3.26Å; G423-H425 PolarHBondContact O-N 2.97Å; G423-E426 PolarHBondContact O-N 2.94Å; G423-F427 PolarHBondContact O-N 3.33Å
424	F	94.2	Very high	94.2	Very high	55 Å²	55	37.3 Å²	37.3	24%	0.241	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-30.8	-173.8	-179.4	-112	0	0	0	112.8	I375 A406 F409 F427 G428 Y443	I375-F424 HydrophobicContact CD1-CB 3.94Å; I375-F424 HydrophobicContact CD1-CD1 4.04Å; I375-F424 HydrophobicContact CD1-CD2 3.36Å; I375-F424 HydrophobicContact CD1-CE1 4.41Å; I375-F424 HydrophobicContact CD1-CE2 3.77Å; I375-F424 HydrophobicContact CD1-CG 3.49Å; I375-F424 VanDerWaalsContact CD1-CG 3.49Å; I375-F424 HydrophobicContact CD1-CZ 4.28Å; A406-F424 HydrophobicContact CB-CE2 4.16Å; A406-F424 HydrophobicContact CB-CZ 4.2Å; F409-F424 HydrophobicContact CB-CD2 3.85Å; F409-F424 HydrophobicContact CB-CE2 4.17Å; F409-F424 HydrophobicContact CD1-CB 3.91Å; F409-F424 AromaticContact CD1-CD2 3.61Å; F409-F424 HydrophobicContact CD1-CD2 3.61Å; F409-F424 HydrophobicContact CD1-CG 4.2Å; F409-F424 HydrophobicContact CD2-CD2 4.22Å; F409-F424 HydrophobicContact CE1-CB 3.63Å; F409-F424 HydrophobicContact CE1-CD2 4.23Å; F409-F424 HydrophobicContact CE1-CG 4.41Å; F409-F424 HydrophobicContact CE2-CB 4.46Å; F409-F424 HydrophobicContact CG-CB 4.45Å; F409-F424 AromaticContact CG-CD2 3.6Å; F409-F424 HydrophobicContact CG-CD2 3.6Å; F409-F424 HydrophobicContact CG-CE2 4.41Å; F409-F424 VanDerWaalsContact CZ-CA 3.49Å; F409-F424 HydrophobicContact CZ-CB 3.94Å; F424-F427 HydrophobicContact CD2-CD1 4.49Å; F424-F427 PolarHBondContact O-N 3.01Å; F424-G428 WeakPolarHBondContact O-CA 3.29Å; F424-G428 PolarHBondContact O-N 3.03Å; F424-Y443 AromaticContact CE1-CD1 3.96Å; F424-Y443 HydrophobicContact CE1-CD1 3.96Å; F424-Y443 AromaticContact CE1-CD2 3.76Å; F424-Y443 HydrophobicContact CE1-CD2 3.76Å; F424-Y443 HydrophobicContact CE1-CE1 4.19Å; F424-Y443 AromaticContact CE1-CE2 3.98Å; F424-Y443 HydrophobicContact CE1-CE2 3.98Å; F424-Y443 AromaticContact CE1-CG 3.74Å; F424-Y443 HydrophobicContact CE1-CG 3.74Å; F424-Y443 HydrophobicContact CZ-CD1 4.24Å; F424-Y443 HydrophobicContact CZ-CD2 4.37Å; F424-Y443 AromaticContact CZ-CG 3.98Å; F424-Y443 HydrophobicContact CZ-CG 3.98Å
425	H	95	Very high	94.2	Very high	77 Å²	77	44.1 Å²	44.1	36%	0.356	24%	0.244	S	C	.	.	H	α-helix	trans	-69.5	-44.9	-178.2	-174.7	56.3	0	0	0	111.7	G423 F427 G428 L429 W441 Y443	G423-H425 VanDerWaalsContact C-N 3.26Å; G423-H425 PolarHBondContact O-N 2.97Å; H425-F427 PolarHBondContact O-N 3.4Å; H425-G428 PolarHBondContact O-N 2.9Å; H425-L429 WeakPolarHBondContact O-CG 3.39Å; H425-L429 PolarHBondContact O-N 3.47Å; H425-W441 AromaticContact CE1-CD2 3.84Å; H425-W441 AromaticContact CE1-CE2 3.67Å; H425-W441 AromaticContact CE1-CE3 3.97Å; H425-W441 AromaticContact CE1-CH2 3.81Å; H425-W441 AromaticContact CE1-CZ2 3.67Å; H425-W441 AromaticContact CE1-CZ3 3.96Å; H425-Y443 AromaticContact ND1-CZ 3.86Å; H425-Y443 PolarHBondContact ND1-OH 3.41Å
426	E	94.9	Very high	94.2	Very high	51 Å²	51	50.9 Å²	50.9	24%	0.238	28%	0.275	C	S	.	.	H	α-helix	trans	-57.4	-50	172.3	179.9	-162.7	163.6	0	0	110.8	Q421 G422 G423 G428 L429 R430	Q421-E426 PolarHBondContact N-OE2 2.98Å; Q421-E426 VanDerWaalsContact N-OE2 3.12Å; G422-E426 WeakPolarHBondContact CA-OE2 3.33Å; G422-E426 PolarHBondContact N-OE2 3.33Å; G423-E426 PolarHBondContact O-N 2.94Å; E426-G428 VanDerWaalsContact C-N 3.27Å; E426-G428 PolarHBondContact O-N 3.24Å; E426-L429 PolarHBondContact O-N 2.72Å; E426-R430 WeakPolarHBondContact O-CB 3.2Å; E426-R430 PolarHBondContact O-N 2.89Å
427	F	95.9	Very high	94.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.1	-42.8	177.6	-178.6	-90.3	0	0	0	111.7	P405 F409 I412 F420 G423 F424 H425 R430 Y431 L452	P405-F427 HydrophobicContact CB-CE1 4.38Å; P405-F427 HydrophobicContact CB-CZ 4.4Å; P405-F427 VanDerWaalsContact O-CE1 3.3Å; P405-F427 WeakPolarHBondContact O-CE1 3.12Å; P405-F427 WeakPolarHBondContact O-CZ 3.29Å; F409-F427 HydrophobicContact CB-CD1 4Å; F409-F427 HydrophobicContact CB-CE1 4.05Å; F409-F427 HydrophobicContact CB-CG 4.46Å; F409-F427 HydrophobicContact CD2-CB 3.59Å; F409-F427 AromaticContact CD2-CD1 3.85Å; F409-F427 HydrophobicContact CD2-CD1 3.85Å; F409-F427 AromaticContact CD2-CD2 3.88Å; F409-F427 HydrophobicContact CD2-CD2 3.88Å; F409-F427 AromaticContact CD2-CG 3.49Å; F409-F427 HydrophobicContact CD2-CG 3.49Å; F409-F427 VanDerWaalsContact CD2-CG 3.49Å; F409-F427 HydrophobicContact CE2-CB 3.8Å; F409-F427 HydrophobicContact CE2-CG 4.18Å; F409-F427 HydrophobicContact CG-CD1 4.28Å; F409-F427 HydrophobicContact CG-CG 4.35Å; I412-F427 HydrophobicContact CD1-CE2 3.76Å; I412-F427 HydrophobicContact CD1-CZ 4.13Å; F420-F427 HydrophobicContact CD1-CD2 4.47Å; F420-F427 AromaticContact CD2-CD2 3.66Å; F420-F427 HydrophobicContact CD2-CD2 3.66Å; F420-F427 HydrophobicContact CD2-CE2 4.34Å; F420-F427 HydrophobicContact CE1-CD2 4.36Å; F420-F427 AromaticContact CE2-CD2 3.5Å; F420-F427 HydrophobicContact CE2-CD2 3.5Å; F420-F427 VanDerWaalsContact CE2-CD2 3.5Å; F420-F427 AromaticContact CE2-CE2 3.78Å; F420-F427 HydrophobicContact CE2-CE2 3.78Å; F420-F427 HydrophobicContact CG-CD2 4.15Å; F420-F427 AromaticContact CZ-CD2 3.88Å; F420-F427 HydrophobicContact CZ-CD2 3.88Å; F420-F427 HydrophobicContact CZ-CE2 4.12Å; G423-F427 PolarHBondContact O-N 3.33Å; F424-F427 HydrophobicContact CD2-CD1 4.49Å; F424-F427 PolarHBondContact O-N 3.01Å; H425-F427 PolarHBondContact O-N 3.4Å; F427-R430 PolarHBondContact O-N 3.03Å; F427-Y431 AromaticContact CD2-CD2 3.55Å; F427-Y431 HydrophobicContact CD2-CD2 3.55Å; F427-Y431 HydrophobicContact CD2-CE2 4.04Å; F427-Y431 AromaticContact CE2-CD2 3.63Å; F427-Y431 HydrophobicContact CE2-CD2 3.63Å; F427-Y431 HydrophobicContact CE2-CE2 4.23Å; F427-Y431 HydrophobicContact CE2-CG 4.37Å; F427-Y431 HydrophobicContact CG-CD2 4.11Å; F427-Y431 HydrophobicContact CZ-CD2 4.25Å; F427-Y431 PolarHBondContact O-N 3.29Å; F427-L452 HydrophobicContact CE2-CD1 3.77Å; F427-L452 HydrophobicContact CE2-CD2 4.26Å; F427-L452 HydrophobicContact CZ-CD1 4.32Å; F427-L452 HydrophobicContact CZ-CD2 3.99Å
428	G	95.5	Very high	94.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.1	-45.3	-179.9	0	0	0	0	0	113.4	F424 H425 E426 R430 C432 S433 A434	F424-G428 WeakPolarHBondContact O-CA 3.29Å; F424-G428 PolarHBondContact O-N 3.03Å; H425-G428 PolarHBondContact O-N 2.9Å; E426-G428 VanDerWaalsContact C-N 3.27Å; E426-G428 PolarHBondContact O-N 3.24Å; G428-R430 VanDerWaalsContact C-N 3.3Å; G428-R430 PolarHBondContact O-N 3.32Å; G428-C432 CarbonylContact O-C 3.58Å; G428-C432 WeakPolarHBondContact O-CA 3.32Å; G428-C432 VanDerWaalsContact O-CB 3.3Å; G428-C432 WeakPolarHBondContact O-CB 3.33Å; G428-C432 PolarHBondContact O-N 2.86Å; G428-S433 PolarHBondContact O-N 2.83Å; G428-A434 VanDerWaalsContact O-CB 3.32Å; G428-A434 WeakPolarHBondContact O-CB 3.23Å; G428-A434 PolarHBondContact O-N 3.47Å
429	L	95.2	Very high	94.2	Very high	85 Å²	85	60 Å²	60	45%	0.445	31%	0.31	S	S	.	.	H	α-helix	trans	-59.9	-42.4	174.4	-73.1	169.9	0	0	0	111.2	H425 E426 A434 W441	H425-L429 WeakPolarHBondContact O-CG 3.39Å; H425-L429 PolarHBondContact O-N 3.47Å; E426-L429 PolarHBondContact O-N 2.72Å; L429-A434 HydrophobicContact CD2-CB 4.26Å; L429-W441 HydrophobicContact CD2-CH2 3.95Å; L429-W441 HydrophobicContact CD2-CZ3 3.59Å
430	R	96.3	Very high	94.1	Very high	29 Å²	29	61.1 Å²	61.1	11%	0.109	32%	0.324	C	S	.	.	H	α-helix	trans	-80	-39.5	-174	-170.5	66.4	178.4	-165.8	4.4	114.3	C135 E196 P198 E426 F427 G428 S447 N448 E451	C135-R430 PolarHBondContact O-NH2 3.42Å; E196-R430 PolarHBondContact O-NH1 2.9Å; P198-R430 VanDerWaalsContact CD-CZ 3.41Å; P198-R430 VanDerWaalsContact CD-NH2 3.3Å; P198-R430 HydrophobicContact CG-CG 4.04Å; E426-R430 WeakPolarHBondContact O-CB 3.2Å; E426-R430 PolarHBondContact O-N 2.89Å; F427-R430 PolarHBondContact O-N 3.03Å; G428-R430 VanDerWaalsContact C-N 3.3Å; G428-R430 PolarHBondContact O-N 3.32Å; R430-S447 PolarHBondContact O-OG 3.03Å; R430-N448 PolarHBondContact O-ND2 3.21Å; R430-E451 IonicContact CZ-OE1 2.83Å; R430-E451 IonicContact CZ-OE2 3.23Å; R430-E451 IonicContact NE-OE1 3.14Å; R430-E451 PolarHBondContact NE-OE1 2.86Å; R430-E451 VanDerWaalsContact NH2-CD 3.33Å; R430-E451 IonicContact NH2-OE1 2.68Å; R430-E451 PolarHBondContact NH2-OE1 2.85Å; R430-E451 IonicContact NH2-OE2 2.93Å; R430-E451 PolarHBondContact NH2-OE2 3.35Å
431	Y	96.6	Very high	94.1	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-122.5	-17.8	-169.1	-55.3	-67.3	0	0	0	114.5	P405 F420 F427 C446 S447 N448 E451 L452	P405-Y431 WeakPolarHBondContact CG-O 3.45Å; F420-Y431 HydrophobicContact CD1-CE2 4.43Å; F420-Y431 AromaticContact CE1-CE2 3.57Å; F420-Y431 HydrophobicContact CE1-CE2 3.57Å; F420-Y431 AromaticContact CZ-CE2 3.75Å; F420-Y431 HydrophobicContact CZ-CE2 3.75Å; F427-Y431 AromaticContact CD2-CD2 3.55Å; F427-Y431 HydrophobicContact CD2-CD2 3.55Å; F427-Y431 HydrophobicContact CD2-CE2 4.04Å; F427-Y431 AromaticContact CE2-CD2 3.63Å; F427-Y431 HydrophobicContact CE2-CD2 3.63Å; F427-Y431 HydrophobicContact CE2-CE2 4.23Å; F427-Y431 HydrophobicContact CE2-CG 4.37Å; F427-Y431 HydrophobicContact CG-CD2 4.11Å; F427-Y431 HydrophobicContact CZ-CD2 4.25Å; F427-Y431 PolarHBondContact O-N 3.29Å; Y431-C446 CarbonylContact O-C 3.57Å; Y431-C446 VanDerWaalsContact O-CA 3.31Å; Y431-C446 WeakPolarHBondContact O-CA 3.46Å; Y431-S447 WeakPolarHBondContact CA-O 3.26Å; Y431-S447 PolarHBondContact O-N 3.16Å; Y431-N448 HydrophobicContact CD1-CB 3.95Å; Y431-N448 HydrophobicContact CE1-CB 4.13Å; Y431-E451 HydrophobicContact CE1-CB 4.42Å; Y431-E451 HydrophobicContact CE1-CG 4.22Å; Y431-E451 PolarHBondContact OH-OE1 2.76Å; Y431-L452 HydrophobicContact CD1-CB 3.68Å; Y431-L452 HydrophobicContact CD1-CD1 4.47Å; Y431-L452 HydrophobicContact CD1-CD2 4.36Å; Y431-L452 HydrophobicContact CD1-CG 4.38Å; Y431-L452 HydrophobicContact CD2-CD1 4.23Å; Y431-L452 HydrophobicContact CE1-CB 3.72Å; Y431-L452 HydrophobicContact CE1-CD1 4.41Å; Y431-L452 HydrophobicContact CE2-CD1 4.18Å; Y431-L452 HydrophobicContact CG-CB 4.28Å; Y431-L452 HydrophobicContact CG-CD1 4.37Å; Y431-L452 HydrophobicContact CG-CD2 4.17Å
432	C	95.4	Very high	94.3	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-102.3	9.4	-179.9	-54.2	0	0	0	0	113	G428 A434 Y443 G445	G428-C432 CarbonylContact O-C 3.58Å; G428-C432 WeakPolarHBondContact O-CA 3.32Å; G428-C432 VanDerWaalsContact O-CB 3.3Å; G428-C432 WeakPolarHBondContact O-CB 3.33Å; G428-C432 PolarHBondContact O-N 2.86Å; C432-A434 PolarHBondContact O-N 3.11Å; C432-Y443 HydrophobicContact CB-CD1 4.49Å; C432-Y443 WeakPolarHBondContact CB-O 3.21Å; C432-G445 CarbonylContact C-O 3.45Å; C432-G445 WeakPolarHBondContact CA-O 3.34Å; C432-G445 CarbonylContact O-C 3.57Å; C432-G445 VanDerWaalsContact O-CA 3.23Å; C432-G445 WeakPolarHBondContact O-CA 3.29Å; C432-G445 PolarHBondContact O-N 2.94Å
433	S	94.3	Very high	94.4	Very high	43 Å²	43	63.1 Å²	63.1	30%	0.301	32%	0.316	S	S	.	.			trans	47.9	45.5	-175	-70.7	0	0	0	0	111.8	G428 K435 C446 S447	G428-S433 PolarHBondContact O-N 2.83Å; S433-K435 PolarHBondContact O-N 2.98Å; S433-C446 PolarHBondContact OG-O 3.27Å; S433-S447 WeakPolarHBondContact CA-OG 3.05Å; S433-S447 PolarHBondContact N-OG 3.21Å; S433-S447 WeakPolarHBondContact OG-CB 3.06Å; S433-S447 PolarHBondContact OG-OG 3.41Å
434	A	94.1	Very high	94.3	Very high	16 Å²	16	64.5 Å²	64.5	13%	0.132	32%	0.322	C	S	.	.			trans	-61.3	135.7	-170.7	0	0	0	0	0	111.6	G428 L429 C432 W441 D442 Y443	G428-A434 VanDerWaalsContact O-CB 3.32Å; G428-A434 WeakPolarHBondContact O-CB 3.23Å; G428-A434 PolarHBondContact O-N 3.47Å; L429-A434 HydrophobicContact CD2-CB 4.26Å; C432-A434 PolarHBondContact O-N 3.11Å; A434-W441 HydrophobicContact CB-CE3 4.09Å; A434-W441 HydrophobicContact CB-CZ3 4.37Å; A434-D442 CarbonylContact C-O 3.53Å; A434-D442 WeakPolarHBondContact CA-O 3.01Å; A434-Y443 HydrophobicContact CB-CD1 3.45Å; A434-Y443 VanDerWaalsContact CB-CD1 3.45Å; A434-Y443 HydrophobicContact CB-CE1 3.54Å; A434-Y443 HydrophobicContact CB-CG 4.36Å
435	K	93.9	Very high	94.3	Very high	142 Å²	142	63.1 Å²	63.1	62%	0.617	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.8	179.8	-67.5	171.7	-171	174.4	0	109.5	S433 C437 D442	S433-K435 PolarHBondContact O-N 2.98Å; K435-C437 PolarHBondContact O-N 3.39Å; K435-D442 PolarHBondContact N-O 3.24Å; K435-D442 PolarHBondContact O-N 2.9Å
436	E	95.2	Very high	94.2	Very high	147 Å²	147	63.4 Å²	63.4	69%	0.687	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	119.2	169.6	-170	171.1	-157.5	0	0	108.9	W441	E436-W441 HydrophobicContact CB-CD2 4.33Å; E436-W441 HydrophobicContact CB-CE3 4.31Å; E436-W441 HydrophobicContact CB-CH2 4.06Å; E436-W441 HydrophobicContact CB-CZ2 4.05Å; E436-W441 HydrophobicContact CB-CZ3 4.18Å; E436-W441 HydrophobicContact CG-CZ2 4.34Å
437	C	92.8	Very high	94.1	Very high	46 Å²	46	62.2 Å²	62.2	31%	0.311	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	163.5	174.7	-63.7	0	0	0	0	109.2	K435 W439 G440	K435-C437 PolarHBondContact O-N 3.39Å; C437-W439 PolarHBondContact O-N 3.04Å; C437-G440 WeakPolarHBondContact CA-O 3.29Å; C437-G440 WeakPolarHBondContact CB-O 3.48Å; C437-G440 PolarHBondContact N-O 3.21Å; C437-G440 PolarHBondContact O-N 3.19Å
438	P	94.2	Very high	94.1	Very high	118 Å²	118	63.9 Å²	63.9	77%	0.766	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.6	179.6	-27.6	35.7	0	0	0	115.1
439	W	91.3	Very high	94	Very high	238 Å²	238	67.7 Å²	67.7	90%	0.902	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	3.7	-178.4	-4.8	96.7	0	0	0	113.8	C437	C437-W439 PolarHBondContact O-N 3.04Å
440	G	92.5	Very high	93.9	Very high	34 Å²	34	67.4 Å²	67.4	35%	0.351	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	124.5	-166.9	-178.2	0	0	0	0	0	113.2	C437	C437-G440 WeakPolarHBondContact CA-O 3.29Å; C437-G440 WeakPolarHBondContact CB-O 3.48Å; C437-G440 PolarHBondContact N-O 3.21Å; C437-G440 PolarHBondContact O-N 3.19Å
441	W	94.5	Very high	94	Very high	105 Å²	105	66 Å²	66	40%	0.398	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.4	-175.3	-71.5	85.2	0	0	0	112.4	H425 L429 A434 E436 Y443	H425-W441 AromaticContact CE1-CD2 3.84Å; H425-W441 AromaticContact CE1-CE2 3.67Å; H425-W441 AromaticContact CE1-CE3 3.97Å; H425-W441 AromaticContact CE1-CH2 3.81Å; H425-W441 AromaticContact CE1-CZ2 3.67Å; H425-W441 AromaticContact CE1-CZ3 3.96Å; L429-W441 HydrophobicContact CD2-CH2 3.95Å; L429-W441 HydrophobicContact CD2-CZ3 3.59Å; A434-W441 HydrophobicContact CB-CE3 4.09Å; A434-W441 HydrophobicContact CB-CZ3 4.37Å; E436-W441 HydrophobicContact CB-CD2 4.33Å; E436-W441 HydrophobicContact CB-CE3 4.31Å; E436-W441 HydrophobicContact CB-CH2 4.06Å; E436-W441 HydrophobicContact CB-CZ2 4.05Å; E436-W441 HydrophobicContact CB-CZ3 4.18Å; E436-W441 HydrophobicContact CG-CZ2 4.34Å; W441-Y443 HydrophobicContact CB-CD2 4.13Å; W441-Y443 HydrophobicContact CB-CE2 3.31Å; W441-Y443 WeakPolarHBondContact CB-OH 3.4Å; W441-Y443 HydrophobicContact CG-CE2 4.3Å
442	D	93.9	Very high	93.9	Very high	69 Å²	69	66.1 Å²	66.1	37%	0.369	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.6	168.2	-178.7	13.2	0	0	0	110.1	A434 K435 S444	A434-D442 CarbonylContact C-O 3.53Å; A434-D442 WeakPolarHBondContact CA-O 3.01Å; K435-D442 PolarHBondContact N-O 3.24Å; K435-D442 PolarHBondContact O-N 2.9Å; D442-S444 VanDerWaalsContact CG-OG 3.28Å; D442-S444 WeakPolarHBondContact OD1-CB 3.49Å; D442-S444 PolarHBondContact OD1-N 3.17Å; D442-S444 PolarHBondContact OD1-OG 2.99Å; D442-S444 PolarHBondContact OD2-OG 3.49Å
443	Y	94.1	Very high	93.8	Very high	47 Å²	47	71 Å²	71	18%	0.184	38%	0.378	C	S	.	.			trans	-119.4	21.8	179.6	-60.5	-85.6	0	0	0	112	F424 H425 C432 A434 W441 G445	F424-Y443 AromaticContact CE1-CD1 3.96Å; F424-Y443 HydrophobicContact CE1-CD1 3.96Å; F424-Y443 AromaticContact CE1-CD2 3.76Å; F424-Y443 HydrophobicContact CE1-CD2 3.76Å; F424-Y443 HydrophobicContact CE1-CE1 4.19Å; F424-Y443 AromaticContact CE1-CE2 3.98Å; F424-Y443 HydrophobicContact CE1-CE2 3.98Å; F424-Y443 AromaticContact CE1-CG 3.74Å; F424-Y443 HydrophobicContact CE1-CG 3.74Å; F424-Y443 HydrophobicContact CZ-CD1 4.24Å; F424-Y443 HydrophobicContact CZ-CD2 4.37Å; F424-Y443 AromaticContact CZ-CG 3.98Å; F424-Y443 HydrophobicContact CZ-CG 3.98Å; H425-Y443 AromaticContact ND1-CZ 3.86Å; H425-Y443 PolarHBondContact ND1-OH 3.41Å; C432-Y443 HydrophobicContact CB-CD1 4.49Å; C432-Y443 WeakPolarHBondContact CB-O 3.21Å; A434-Y443 HydrophobicContact CB-CD1 3.45Å; A434-Y443 VanDerWaalsContact CB-CD1 3.45Å; A434-Y443 HydrophobicContact CB-CE1 3.54Å; A434-Y443 HydrophobicContact CB-CG 4.36Å; W441-Y443 HydrophobicContact CB-CD2 4.13Å; W441-Y443 HydrophobicContact CB-CE2 3.31Å; W441-Y443 WeakPolarHBondContact CB-OH 3.4Å; W441-Y443 HydrophobicContact CG-CE2 4.3Å; Y443-G445 VanDerWaalsContact C-N 3.34Å
444	S	90.7	Very high	93.9	Very high	52 Å²	52	70 Å²	70	36%	0.364	37%	0.37	S	S	.	.			trans	-82	-9.1	-173.2	66.6	0	0	0	0	114.8	R404 D442	R404-S444 WeakPolarHBondContact CD-O 3.1Å; R404-S444 PolarHBondContact NE-O 3.25Å; D442-S444 VanDerWaalsContact CG-OG 3.28Å; D442-S444 WeakPolarHBondContact OD1-CB 3.49Å; D442-S444 PolarHBondContact OD1-N 3.17Å; D442-S444 PolarHBondContact OD1-OG 2.99Å; D442-S444 PolarHBondContact OD2-OG 3.49Å
445	G	93.3	Very high	94	Very high	27 Å²	27	69.3 Å²	69.3	28%	0.278	36%	0.364	S	S	.	.			trans	-84.4	-172.2	-178.8	0	0	0	0	0	114.2	C432 Y443	C432-G445 CarbonylContact C-O 3.45Å; C432-G445 WeakPolarHBondContact CA-O 3.34Å; C432-G445 CarbonylContact O-C 3.57Å; C432-G445 VanDerWaalsContact O-CA 3.23Å; C432-G445 WeakPolarHBondContact O-CA 3.29Å; C432-G445 PolarHBondContact O-N 2.94Å; Y443-G445 VanDerWaalsContact C-N 3.34Å
446	C	93.3	Very high	94	Very high	82 Å²	82	62.9 Å²	62.9	55%	0.554	34%	0.336	S	S	*	.			trans	-141.4	147.2	172.8	63.3	0	0	0	0	110.9	P405 Y431 S433 M449	P405-C446 HydrophobicContact CG-CB 4.01Å; Y431-C446 CarbonylContact O-C 3.57Å; Y431-C446 VanDerWaalsContact O-CA 3.31Å; Y431-C446 WeakPolarHBondContact O-CA 3.46Å; S433-C446 PolarHBondContact OG-O 3.27Å; C446-M449 HydrophobicContact CB-CG 4.4Å; C446-M449 HydrophobicContact CB-SD 4.06Å
447	S	94	Very high	93.9	Very high	26 Å²	26	59 Å²	59	18%	0.182	32%	0.318	C	S	.	.			trans	-155.2	157.3	175	26.2	0	0	0	0	109.9	R430 Y431 S433 M449	R430-S447 PolarHBondContact O-OG 3.03Å; Y431-S447 WeakPolarHBondContact CA-O 3.26Å; Y431-S447 PolarHBondContact O-N 3.16Å; S433-S447 WeakPolarHBondContact CA-OG 3.05Å; S433-S447 PolarHBondContact N-OG 3.21Å; S433-S447 WeakPolarHBondContact OG-CB 3.06Å; S433-S447 PolarHBondContact OG-OG 3.41Å; S447-M449 PolarHBondContact O-N 3.47Å
448	N	94.6	Very high	94	Very high	35 Å²	35	60.1 Å²	60.1	19%	0.187	32%	0.318	C	S	.	.			trans	52.8	36.3	169.6	-51.9	-32.5	0	0	0	114.2	T136 R430 Y431 T450 E451 L452	T136-N448 WeakPolarHBondContact CG2-OD1 3.46Å; R430-N448 PolarHBondContact O-ND2 3.21Å; Y431-N448 HydrophobicContact CD1-CB 3.95Å; Y431-N448 HydrophobicContact CE1-CB 4.13Å; N448-T450 VanDerWaalsContact C-N 3.34Å; N448-T450 PolarHBondContact O-N 3.07Å; N448-E451 HydrophobicContact CB-CB 4.42Å; N448-E451 WeakPolarHBondContact O-CB 3.18Å; N448-E451 PolarHBondContact O-N 3.17Å; N448-L452 PolarHBondContact O-N 3.1Å
449	M	94.1	Very high	94	Very high	81 Å²	81	55.6 Å²	55.6	40%	0.399	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-35.5	-171.9	-64.7	-55.4	-57	0	0	113.3	P405 C446 S447 L452 Q453	P405-M449 HydrophobicContact CB-CE 4.2Å; P405-M449 HydrophobicContact CB-SD 4.04Å; P405-M449 HydrophobicContact CG-SD 4.03Å; C446-M449 HydrophobicContact CB-CG 4.4Å; C446-M449 HydrophobicContact CB-SD 4.06Å; S447-M449 PolarHBondContact O-N 3.47Å; M449-L452 HydrophobicContact CE-CD2 4.12Å; M449-L452 PolarHBondContact O-N 2.87Å; M449-Q453 WeakPolarHBondContact O-CB 3.42Å; M449-Q453 PolarHBondContact O-N 3.32Å
450	T	93.7	Very high	94.1	Very high	78 Å²	78	44.8 Å²	44.8	48%	0.479	25%	0.249	S	C	.	.	H	α-helix	trans	-61.5	-44.6	175	-50.4	0	0	0	0	111.4	C138 N448 Q453 L454	C138-T450 WeakPolarHBondContact O-CG2 3.36Å; N448-T450 VanDerWaalsContact C-N 3.34Å; N448-T450 PolarHBondContact O-N 3.07Å; T450-Q453 PolarHBondContact O-N 2.78Å; T450-L454 HydrophobicContact CG2-CD1 4.24Å; T450-L454 VanDerWaalsContact O-CG 3.29Å; T450-L454 WeakPolarHBondContact O-CG 3.25Å; T450-L454 PolarHBondContact O-N 2.96Å; T450-L454 VanDerWaalsContact O-N 3.08Å
451	E	96.6	Very high	94.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-46.3	174.1	176.6	177.5	93	0	0	111	T136 L137 V201 R430 Y431 N448 Q453 L454 V455	T136-E451 VanDerWaalsContact CA-OE2 3.31Å; T136-E451 WeakPolarHBondContact CA-OE2 3.43Å; L137-E451 HydrophobicContact CB-CB 3.9Å; L137-E451 HydrophobicContact CB-CG 3.82Å; L137-E451 PolarHBondContact N-OE2 3.36Å; V201-E451 HydrophobicContact CG2-CG 3.85Å; R430-E451 IonicContact CZ-OE1 2.83Å; R430-E451 IonicContact CZ-OE2 3.23Å; R430-E451 IonicContact NE-OE1 3.14Å; R430-E451 PolarHBondContact NE-OE1 2.86Å; R430-E451 VanDerWaalsContact NH2-CD 3.33Å; R430-E451 IonicContact NH2-OE1 2.68Å; R430-E451 PolarHBondContact NH2-OE1 2.85Å; R430-E451 IonicContact NH2-OE2 2.93Å; R430-E451 PolarHBondContact NH2-OE2 3.35Å; Y431-E451 HydrophobicContact CE1-CB 4.42Å; Y431-E451 HydrophobicContact CE1-CG 4.22Å; Y431-E451 PolarHBondContact OH-OE1 2.76Å; N448-E451 HydrophobicContact CB-CB 4.42Å; N448-E451 WeakPolarHBondContact O-CB 3.18Å; N448-E451 PolarHBondContact O-N 3.17Å; E451-Q453 PolarHBondContact O-N 3.27Å; E451-L454 PolarHBondContact O-N 3.31Å; E451-V455 WeakPolarHBondContact O-CB 3.49Å; E451-V455 VanDerWaalsContact O-CG2 3.3Å; E451-V455 WeakPolarHBondContact O-CG2 3.41Å; E451-V455 PolarHBondContact O-N 3.02Å
452	L	95.8	Very high	94.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-46.2	178.2	-179.1	57.2	0	0	0	111.9	P405 L408 F420 F427 Y431 N448 M449 L454 V455 L456	P405-L452 HydrophobicContact CB-CD2 4.06Å; L408-L452 HydrophobicContact CD1-CD2 4.15Å; F420-L452 HydrophobicContact CZ-CD1 4.31Å; F427-L452 HydrophobicContact CE2-CD1 3.77Å; F427-L452 HydrophobicContact CE2-CD2 4.26Å; F427-L452 HydrophobicContact CZ-CD1 4.32Å; F427-L452 HydrophobicContact CZ-CD2 3.99Å; Y431-L452 HydrophobicContact CD1-CB 3.68Å; Y431-L452 HydrophobicContact CD1-CD1 4.47Å; Y431-L452 HydrophobicContact CD1-CD2 4.36Å; Y431-L452 HydrophobicContact CD1-CG 4.38Å; Y431-L452 HydrophobicContact CD2-CD1 4.23Å; Y431-L452 HydrophobicContact CE1-CB 3.72Å; Y431-L452 HydrophobicContact CE1-CD1 4.41Å; Y431-L452 HydrophobicContact CE2-CD1 4.18Å; Y431-L452 HydrophobicContact CG-CB 4.28Å; Y431-L452 HydrophobicContact CG-CD1 4.37Å; Y431-L452 HydrophobicContact CG-CD2 4.17Å; N448-L452 PolarHBondContact O-N 3.1Å; M449-L452 HydrophobicContact CE-CD2 4.12Å; M449-L452 PolarHBondContact O-N 2.87Å; L452-L454 PolarHBondContact O-N 3.16Å; L452-V455 PolarHBondContact O-N 3.26Å; L452-L456 HydrophobicContact CD1-CD1 4.06Å; L452-L456 HydrophobicContact CD1-CD2 4.45Å; L452-L456 HydrophobicContact CD1-CG 4.04Å; L452-L456 HydrophobicContact CG-CD1 3.99Å; L452-L456 HydrophobicContact CG-CG 4.37Å; L452-L456 VanDerWaalsContact O-CG 3.24Å; L452-L456 WeakPolarHBondContact O-CG 3.09Å; L452-L456 PolarHBondContact O-N 3.14Å
453	Q	93.9	Very high	94.3	Very high	102 Å²	102	40.4 Å²	40.4	48%	0.477	22%	0.217	S	C	.	.	H	α-helix	trans	-56.8	-50.7	177.8	179.6	-179.4	0.4	0	0	111.1	M449 T450 E451 V455 L456 E457	M449-Q453 WeakPolarHBondContact O-CB 3.42Å; M449-Q453 PolarHBondContact O-N 3.32Å; T450-Q453 PolarHBondContact O-N 2.78Å; E451-Q453 PolarHBondContact O-N 3.27Å; Q453-V455 VanDerWaalsContact C-N 3.34Å; Q453-V455 PolarHBondContact O-N 3.26Å; Q453-L456 PolarHBondContact O-N 3.41Å; Q453-L456 VanDerWaalsContact O-N 3.13Å; Q453-E457 HydrophobicContact CG-CG 4.35Å; Q453-E457 VanDerWaalsContact CG-OE1 3.22Å; Q453-E457 WeakPolarHBondContact CG-OE1 3.19Å; Q453-E457 PolarHBondContact NE2-OE1 3.2Å; Q453-E457 WeakPolarHBondContact O-CG 3.35Å; Q453-E457 PolarHBondContact O-N 3.09Å
454	L	95.1	Very high	94.1	Very high	24 Å²	24	40 Å²	40	13%	0.126	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-43.1	179.1	-70.6	167.8	0	0	0	112	L137 A140 F205 T450 E451 L452 L456 K458	L137-L454 HydrophobicContact CD2-CB 3.95Å; L137-L454 HydrophobicContact CD2-CD1 3.53Å; L137-L454 HydrophobicContact CD2-CG 4.37Å; L137-L454 HydrophobicContact CG-CD1 3.86Å; A140-L454 HydrophobicContact CB-CD2 4.4Å; F205-L454 HydrophobicContact CZ-CB 4.16Å; T450-L454 HydrophobicContact CG2-CD1 4.24Å; T450-L454 VanDerWaalsContact O-CG 3.29Å; T450-L454 WeakPolarHBondContact O-CG 3.25Å; T450-L454 PolarHBondContact O-N 2.96Å; T450-L454 VanDerWaalsContact O-N 3.08Å; E451-L454 PolarHBondContact O-N 3.31Å; L452-L454 PolarHBondContact O-N 3.16Å; L454-L456 VanDerWaalsContact C-N 3.35Å; L454-L456 PolarHBondContact O-N 3.22Å; L454-K458 WeakPolarHBondContact O-CB 3.29Å; L454-K458 WeakPolarHBondContact O-CG 3.49Å; L454-K458 PolarHBondContact O-N 3.42Å
455	V	95.7	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.6	-46.7	174.6	163.4	0	0	0	0	110.8	V201 I204 L419 F420 E451 L452 Q453 S459	V201-V455 HydrophobicContact CG2-CG2 3.69Å; I204-V455 HydrophobicContact CD1-CB 4.27Å; I204-V455 HydrophobicContact CD1-CG1 3.73Å; I204-V455 HydrophobicContact CD1-CG2 4.34Å; L419-V455 HydrophobicContact CD2-CG1 4.33Å; F420-V455 HydrophobicContact CZ-CG1 4.2Å; E451-V455 WeakPolarHBondContact O-CB 3.49Å; E451-V455 VanDerWaalsContact O-CG2 3.3Å; E451-V455 WeakPolarHBondContact O-CG2 3.41Å; E451-V455 PolarHBondContact O-N 3.02Å; L452-V455 PolarHBondContact O-N 3.26Å; Q453-V455 VanDerWaalsContact C-N 3.34Å; Q453-V455 PolarHBondContact O-N 3.26Å; V455-S459 VanDerWaalsContact O-CB 3.28Å; V455-S459 WeakPolarHBondContact O-CB 3.38Å; V455-S459 PolarHBondContact O-N 3.28Å; V455-S459 PolarHBondContact O-OG 3.33Å
456	L	95.1	Very high	93.2	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-51.5	-178.2	-67.4	175	0	0	0	111.8	L408 I412 L452 Q453 L454 K458 S459 I460 M461	L408-L456 HydrophobicContact CD1-CD1 4.06Å; I412-L456 HydrophobicContact CD1-CD2 3.73Å; I412-L456 HydrophobicContact CG1-CD2 3.75Å; L452-L456 HydrophobicContact CD1-CD1 4.06Å; L452-L456 HydrophobicContact CD1-CD2 4.45Å; L452-L456 HydrophobicContact CD1-CG 4.04Å; L452-L456 HydrophobicContact CG-CD1 3.99Å; L452-L456 HydrophobicContact CG-CG 4.37Å; L452-L456 VanDerWaalsContact O-CG 3.24Å; L452-L456 WeakPolarHBondContact O-CG 3.09Å; L452-L456 PolarHBondContact O-N 3.14Å; Q453-L456 PolarHBondContact O-N 3.41Å; Q453-L456 VanDerWaalsContact O-N 3.13Å; L454-L456 VanDerWaalsContact C-N 3.35Å; L454-L456 PolarHBondContact O-N 3.22Å; L456-K458 VanDerWaalsContact C-N 3.35Å; L456-K458 PolarHBondContact O-N 2.82Å; L456-S459 PolarHBondContact O-N 3.32Å; L456-I460 HydrophobicContact CD2-CD1 3.8Å; L456-I460 HydrophobicContact CD2-CG1 3.99Å; L456-I460 PolarHBondContact O-N 3.23Å; L456-M461 HydrophobicContact CB-CB 4.07Å; L456-M461 HydrophobicContact CB-CE 3.91Å; L456-M461 HydrophobicContact CB-SD 4.41Å; L456-M461 WeakPolarHBondContact O-CB 3.48Å; L456-M461 PolarHBondContact O-N 3.08Å
457	E	93.5	Very high	92.4	Very high	65 Å²	65	38.6 Å²	38.6	30%	0.304	20%	0.204	S	C	.	.	H	α-helix	trans	-62.1	-40.2	-177.6	-71.4	174.8	-177.1	0	0	112.4	R258 Q453 M461	R258-E457 PolarHBondContact NH2-O 3.08Å; Q453-E457 HydrophobicContact CG-CG 4.35Å; Q453-E457 VanDerWaalsContact CG-OE1 3.22Å; Q453-E457 WeakPolarHBondContact CG-OE1 3.19Å; Q453-E457 PolarHBondContact NE2-OE1 3.2Å; Q453-E457 WeakPolarHBondContact O-CG 3.35Å; Q453-E457 PolarHBondContact O-N 3.09Å; E457-M461 HydrophobicContact CG-CE 3.45Å; E457-M461 VanDerWaalsContact CG-CE 3.45Å
458	K	93.5	Very high	91.6	Very high	70 Å²	70	43 Å²	43	30%	0.304	23%	0.226	S	C	.	.	H	α-helix	trans	-78.1	-17.6	179.4	-67.9	-66.2	-177.1	176.8	0	113.6	I204 F205 N223 R258 L454 L456	I204-K458 HydrophobicContact CG2-CB 3.73Å; F205-K458 HydrophobicContact CE1-CG 4.23Å; F205-K458 HydrophobicContact CZ-CB 4.31Å; F205-K458 HydrophobicContact CZ-CG 3.98Å; N223-K458 PolarHBondContact OD1-NZ 3.25Å; R258-K458 VanDerWaalsContact NH2-C 3.26Å; R258-K458 PolarHBondContact NH2-O 2.74Å; R258-K458 VanDerWaalsContact NH2-O 3.15Å; L454-K458 WeakPolarHBondContact O-CB 3.29Å; L454-K458 WeakPolarHBondContact O-CG 3.49Å; L454-K458 PolarHBondContact O-N 3.42Å; L456-K458 VanDerWaalsContact C-N 3.35Å; L456-K458 PolarHBondContact O-N 2.82Å
459	S	94.1	Very high	91	Very high	24 Å²	24	41.7 Å²	41.7	17%	0.168	22%	0.219	C	C	.	.	H	α-helix	trans	-111.3	-57.9	-176.3	66.8	0	0	0	0	116.1	R258 V455 L456	R258-S459 VanDerWaalsContact CD-O 3.27Å; R258-S459 WeakPolarHBondContact CD-O 3.48Å; R258-S459 VanDerWaalsContact CZ-O 3.29Å; R258-S459 PolarHBondContact NE-O 3.16Å; V455-S459 VanDerWaalsContact O-CB 3.28Å; V455-S459 WeakPolarHBondContact O-CB 3.38Å; V455-S459 PolarHBondContact O-N 3.28Å; V455-S459 PolarHBondContact O-OG 3.33Å; L456-S459 PolarHBondContact O-N 3.32Å
460	I	95.2	Very high	90	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.051	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-23.1	-165.9	60.4	168.3	0	0	0	114.1	V262 L263 I412 I415 L419 L456	V262-I460 WeakPolarHBondContact CA-O 3.47Å; L263-I460 PolarHBondContact N-O 2.82Å; I412-I460 HydrophobicContact CB-CD1 4.24Å; I412-I460 HydrophobicContact CG1-CD1 4.04Å; I412-I460 HydrophobicContact CG2-CD1 4.04Å; I415-I460 HydrophobicContact CB-CD1 4.48Å; I415-I460 HydrophobicContact CD1-CD1 4.41Å; I415-I460 HydrophobicContact CG2-CB 3.91Å; I415-I460 HydrophobicContact CG2-CG2 3.8Å; L419-I460 HydrophobicContact CD2-CD1 4.43Å; L456-I460 HydrophobicContact CD2-CD1 3.8Å; L456-I460 HydrophobicContact CD2-CG1 3.99Å; L456-I460 PolarHBondContact O-N 3.23Å
461	M	95.9	Very high	89.3	Confident	12 Å²	12	43 Å²	43	6%	0.059	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137.3	-174.5	-172	171.6	68.5	0	0	110.3	R258 L263 A265 L456 E457 R463	R258-M461 PolarHBondContact NH1-O 3.16Å; L263-M461 HydrophobicContact CB-CG 4.48Å; L263-M461 HydrophobicContact CD2-CB 4.45Å; L263-M461 HydrophobicContact CD2-CG 4.02Å; L263-M461 HydrophobicContact CD2-SD 4.07Å; L263-M461 HydrophobicContact CG-CG 4.26Å; L263-M461 WeakPolarHBondContact O-CA 3.4Å; A265-M461 HydrophobicContact CB-CG 3.7Å; A265-M461 HydrophobicContact CB-SD 3.84Å; L456-M461 HydrophobicContact CB-CB 4.07Å; L456-M461 HydrophobicContact CB-CE 3.91Å; L456-M461 HydrophobicContact CB-SD 4.41Å; L456-M461 WeakPolarHBondContact O-CB 3.48Å; L456-M461 PolarHBondContact O-N 3.08Å; E457-M461 HydrophobicContact CG-CE 3.45Å; E457-M461 VanDerWaalsContact CG-CE 3.45Å; M461-R463 HydrophobicContact CE-CB 4.38Å; M461-R463 HydrophobicContact CG-CB 4.29Å
462	I	95.4	Very high	88.3	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	118.8	169.6	-55.7	-176.9	0	0	0	105.3	G251 L254 A255 V262 L263 L264 A265	G251-I462 VanDerWaalsContact O-CD1 3.31Å; G251-I462 WeakPolarHBondContact O-CD1 3.43Å; L254-I462 HydrophobicContact CB-CD1 3.98Å; L254-I462 HydrophobicContact CD2-CD1 3.99Å; L254-I462 HydrophobicContact CD2-CG1 3.86Å; L254-I462 HydrophobicContact CG-CD1 3.92Å; L254-I462 HydrophobicContact CG-CG1 4.26Å; A255-I462 HydrophobicContact CB-CD1 4.1Å; V262-I462 HydrophobicContact CB-CD1 4.46Å; V262-I462 HydrophobicContact CG1-CD1 4.16Å; L263-I462 PolarHBondContact O-N 3.2Å; L264-I462 HydrophobicContact CD2-CB 4Å; L264-I462 HydrophobicContact CD2-CD1 3.88Å; L264-I462 HydrophobicContact CD2-CG1 4.32Å; L264-I462 HydrophobicContact CD2-CG2 4.46Å; A265-I462 WeakPolarHBondContact CA-O 3.29Å; A265-I462 PolarHBondContact N-O 2.93Å
463	R	93.6	Very high	87.3	Confident	100 Å²	100	47.1 Å²	47.1	38%	0.377	25%	0.253	S	S	.	.			trans	-141.9	126.3	-174.4	-177.3	168	-170.1	137.5	14.7	110.5	A265 D266 D267 G398 M461	A265-R463 HydrophobicContact CB-CB 4.12Å; A265-R463 HydrophobicContact CB-CG 4.31Å; A265-R463 WeakPolarHBondContact O-CG 3.27Å; D266-R463 VanDerWaalsContact OD1-C 3.29Å; D266-R463 VanDerWaalsContact OD1-CA 3.23Å; D266-R463 WeakPolarHBondContact OD1-CA 3.36Å; D267-R463 IonicContact OD1-NH2 3.43Å; G398-R463 PolarHBondContact O-NH2 2.91Å; M461-R463 HydrophobicContact CE-CB 4.38Å; M461-R463 HydrophobicContact CG-CB 4.29Å
464	R	90	Very high	86.4	Confident	39 Å²	39	44.7 Å²	44.7	15%	0.147	25%	0.246	C	C	.	.			trans	-124.6	139.2	163.7	-61.9	87.3	178.3	-167.8	3.2	108.2	F247 D266 D267 L270 V469	F247-R464 PolarHBondContact O-NH1 3.04Å; F247-R464 PolarHBondContact O-NH2 3Å; D266-R464 WeakPolarHBondContact OD1-CD 3.11Å; D266-R464 PolarHBondContact OD1-N 2.84Å; D266-R464 IonicContact OD1-NH1 3.16Å; D266-R464 WeakPolarHBondContact OD2-CD 3.48Å; D266-R464 IonicContact OD2-NH1 2.74Å; D266-R464 PolarHBondContact OD2-NH1 2.85Å; D267-R464 PolarHBondContact N-O 2.97Å; L270-R464 HydrophobicContact CD1-CB 4.19Å; L270-R464 VanDerWaalsContact CD1-O 3.27Å; L270-R464 WeakPolarHBondContact CD1-O 3.24Å; R464-V469 HydrophobicContact CB-CG1 4.01Å; R464-V469 HydrophobicContact CG-CG1 4.07Å
465	V	83.9	Confident	85.6	Confident	50 Å²	50	46.8 Å²	46.8	30%	0.303	26%	0.261	S	S	.	.			trans	-89.5	151.6	166.1	-63.5	0	0	0	0	109.4	D267 A467 D468	D267-V465 WeakPolarHBondContact OD2-CA 3.37Å; D267-V465 WeakPolarHBondContact OD2-CB 3.43Å; V465-A467 HydrophobicContact CG2-CB 4.29Å; V465-A467 PolarHBondContact O-N 3.34Å; V465-A467 VanDerWaalsContact O-N 3.17Å; V465-D468 HydrophobicContact CG2-CB 4.2Å; V465-D468 WeakPolarHBondContact CG2-OD2 3.27Å; V465-D468 WeakPolarHBondContact O-CB 3.15Å; V465-D468 PolarHBondContact O-N 3.31Å
466	K	80.6	Confident	85	Confident	5 Å²	5	47.6 Å²	47.6	2%	0.022	27%	0.265	C	S	.	.	H	α-helix	trans	-55.9	-36.1	-178.5	-71.6	177.3	-176.2	177.7	0	112.6	D267 M268 L270 D468 V469 L470 L473 N612 D640 S641	D267-K466 HydrophobicContact CB-CG 3.97Å; D267-K466 PolarHBondContact OD2-N 3.29Å; D267-K466 VanDerWaalsContact OD2-N 3.1Å; M268-K466 WeakPolarHBondContact O-CE 3.38Å; L270-K466 HydrophobicContact CD1-CG 4.42Å; L270-K466 HydrophobicContact CD2-CG 3.79Å; L270-K466 HydrophobicContact CG-CG 4.09Å; K466-D468 PolarHBondContact O-N 3.3Å; K466-V469 CarbonylContact O-C 3.56Å; K466-V469 PolarHBondContact O-N 3.17Å; K466-V469 VanDerWaalsContact O-N 3.1Å; K466-L470 VanDerWaalsContact O-CA 3.3Å; K466-L470 WeakPolarHBondContact O-CA 2.87Å; K466-L470 WeakPolarHBondContact O-CB 3.35Å; K466-L470 PolarHBondContact O-N 3.15Å; K466-L473 HydrophobicContact CB-CD1 4.37Å; K466-L473 HydrophobicContact CG-CD1 4.25Å; K466-N612 PolarHBondContact NZ-ND2 3.02Å; K466-D640 WeakPolarHBondContact CB-OD1 3.42Å; K466-D640 WeakPolarHBondContact CD-OD1 3.42Å; K466-D640 WeakPolarHBondContact CD-OD2 3.49Å; K466-D640 IonicContact NZ-OD1 3.46Å; K466-D640 IonicContact NZ-OD2 3.62Å; K466-D640 PolarHBondContact NZ-OD2 3.15Å; K466-S641 PolarHBondContact NZ-O 3.26Å
467	A	76.7	Confident	84.3	Confident	76 Å²	76	48.9 Å²	48.9	63%	0.628	27%	0.269	S	S	*	.	H	α-helix	trans	-57.3	-32.7	176.9	0	0	0	0	0	113.5	V465 V469	V465-A467 HydrophobicContact CG2-CB 4.29Å; V465-A467 PolarHBondContact O-N 3.34Å; V465-A467 VanDerWaalsContact O-N 3.17Å; A467-V469 VanDerWaalsContact C-N 3.34Å
468	D	77.9	Confident	84	Confident	119 Å²	119	46.6 Å²	46.6	64%	0.636	26%	0.258	S	S	*	.	H	α-helix	trans	-78.4	-21.5	-178.8	-61.8	-18	0	0	0	112.5	V465 K466	V465-D468 HydrophobicContact CG2-CB 4.2Å; V465-D468 WeakPolarHBondContact CG2-OD2 3.27Å; V465-D468 WeakPolarHBondContact O-CB 3.15Å; V465-D468 PolarHBondContact O-N 3.31Å; K466-D468 PolarHBondContact O-N 3.3Å
469	V	81.5	Confident	83.6	Confident	7 Å²	7	44.5 Å²	44.5	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-121.7	9.6	-176.1	-61.3	0	0	0	0	112.8	F247 L270 R464 K466 A467 S471 Q472 L473	F247-V469 HydrophobicContact CB-CG1 3.99Å; F247-V469 HydrophobicContact CD1-CB 4.11Å; F247-V469 HydrophobicContact CD1-CG1 4.16Å; F247-V469 HydrophobicContact CD2-CG1 4.37Å; F247-V469 HydrophobicContact CE1-CB 4.43Å; F247-V469 HydrophobicContact CE1-CG2 4.42Å; F247-V469 HydrophobicContact CG-CB 4.37Å; F247-V469 HydrophobicContact CG-CG1 3.92Å; L270-V469 HydrophobicContact CD1-CG2 4.09Å; L270-V469 HydrophobicContact CD2-CG2 3.65Å; R464-V469 HydrophobicContact CB-CG1 4.01Å; R464-V469 HydrophobicContact CG-CG1 4.07Å; K466-V469 CarbonylContact O-C 3.56Å; K466-V469 PolarHBondContact O-N 3.17Å; K466-V469 VanDerWaalsContact O-N 3.1Å; A467-V469 VanDerWaalsContact C-N 3.34Å; V469-S471 PolarHBondContact O-N 2.83Å; V469-S471 VanDerWaalsContact O-N 3.16Å; V469-Q472 WeakPolarHBondContact O-CB 3.36Å; V469-Q472 PolarHBondContact O-N 2.63Å; V469-L473 HydrophobicContact CG2-CD1 4.1Å; V469-L473 HydrophobicContact CG2-CG 4.41Å; V469-L473 PolarHBondContact O-N 2.97Å
470	L	73.4	Confident	83.2	Confident	69 Å²	69	43.7 Å²	43.7	36%	0.361	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-59.7	-33.3	-171.3	-168.7	67.2	0	0	0	111.9	K466 Q472 L473	K466-L470 VanDerWaalsContact O-CA 3.3Å; K466-L470 WeakPolarHBondContact O-CA 2.87Å; K466-L470 WeakPolarHBondContact O-CB 3.35Å; K466-L470 PolarHBondContact O-N 3.15Å; L470-Q472 PolarHBondContact O-N 3.04Å; L470-L473 PolarHBondContact O-N 2.68Å; L470-L473 VanDerWaalsContact O-N 3.1Å
471	S	78.4	Confident	82.9	Confident	116 Å²	116	43.6 Å²	43.6	81%	0.811	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-62.5	-20.8	175.9	57.6	0	0	0	0	113.9	V469	V469-S471 PolarHBondContact O-N 2.83Å; V469-S471 VanDerWaalsContact O-N 3.16Å
472	Q	76.2	Confident	82.6	Confident	71 Å²	71	43.3 Å²	43.3	33%	0.332	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-97.1	-12.2	177.6	-57.5	-179.1	35	0	0	112.5	V469 L470	V469-Q472 WeakPolarHBondContact O-CB 3.36Å; V469-Q472 PolarHBondContact O-N 2.63Å; L470-Q472 PolarHBondContact O-N 3.04Å
473	L	73.9	Confident	82.4	Confident	18 Å²	18	43.1 Å²	43.1	9%	0.094	24%	0.24	C	C	.	.	S	Bend	trans	-97.3	141.6	-177.5	-63	174.9	0	0	0	110.8	F245 F247 L270 K466 V469 L470	F245-L473 HydrophobicContact CE2-CD2 4.3Å; F247-L473 HydrophobicContact CE1-CD2 4.15Å; F247-L473 HydrophobicContact CZ-CD2 4.43Å; L270-L473 HydrophobicContact CD2-CD1 3.44Å; L270-L473 VanDerWaalsContact CD2-CD1 3.44Å; L270-L473 HydrophobicContact CD2-CD2 3.93Å; L270-L473 HydrophobicContact CD2-CG 4.2Å; K466-L473 HydrophobicContact CB-CD1 4.37Å; K466-L473 HydrophobicContact CG-CD1 4.25Å; V469-L473 HydrophobicContact CG2-CD1 4.1Å; V469-L473 HydrophobicContact CG2-CG 4.41Å; V469-L473 PolarHBondContact O-N 2.97Å; L470-L473 PolarHBondContact O-N 2.68Å; L470-L473 VanDerWaalsContact O-N 3.1Å
474	P	75.7	Confident	82.1	Confident	51 Å²	51	38.4 Å²	38.4	33%	0.331	22%	0.223	S	C	.	.			trans	-67.6	155	166.1	31.4	-35.6	0	0	0	110.5	K476 R477 S641	P474-K476 VanDerWaalsContact C-N 3.29Å; P474-K476 PolarHBondContact O-N 2.83Å; P474-R477 HydrophobicContact CG-CG 3.45Å; P474-R477 VanDerWaalsContact CG-CG 3.45Å; P474-S641 PolarHBondContact O-OG 2.82Å
475	P	78.2	Confident	81.9	Confident	69 Å²	69	38.8 Å²	38.8	45%	0.448	23%	0.23	S	C	.	.	S	Bend	trans	-62.7	-35.1	-178.3	21.8	-32	0	0	0	113.3	Y634 V642	P475-Y634 HydrophobicContact CB-CE2 3.51Å; P475-Y634 VanDerWaalsContact CB-OH 3.29Å; P475-Y634 WeakPolarHBondContact CB-OH 3.23Å; P475-V642 PolarHBondContact O-N 3.25Å
476	K	82	Confident	81.8	Confident	17 Å²	17	39.7 Å²	39.7	7%	0.074	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.3	176.5	-73.6	-173	-77.1	-178	0	109.6	P474 D631 Y634 V642 I644 E676	P474-K476 VanDerWaalsContact C-N 3.29Å; P474-K476 PolarHBondContact O-N 2.83Å; K476-D631 IonicContact NZ-OD1 3.45Å; K476-D631 PolarHBondContact NZ-OD1 3.13Å; K476-Y634 HydrophobicContact CD-CD1 3.61Å; K476-Y634 HydrophobicContact CD-CD2 4.3Å; K476-Y634 HydrophobicContact CD-CE1 4.3Å; K476-Y634 HydrophobicContact CD-CG 3.6Å; K476-Y634 VanDerWaalsContact CE-CD1 3.41Å; K476-Y634 HydrophobicContact CG-CD1 4Å; K476-Y634 HydrophobicContact CG-CD2 3.82Å; K476-Y634 HydrophobicContact CG-CE1 4.46Å; K476-Y634 HydrophobicContact CG-CE2 4.33Å; K476-Y634 HydrophobicContact CG-CG 3.65Å; K476-V642 WeakPolarHBondContact CA-O 3.39Å; K476-V642 HydrophobicContact CG-CB 4.35Å; K476-I644 HydrophobicContact CB-CD1 3.9Å; K476-I644 HydrophobicContact CD-CD1 4.27Å; K476-I644 HydrophobicContact CG-CD1 4.09Å; K476-E676 VanDerWaalsContact CE-CD 3.46Å; K476-E676 WeakPolarHBondContact CE-OE1 3.3Å; K476-E676 VanDerWaalsContact CE-OE2 3.27Å; K476-E676 WeakPolarHBondContact CE-OE2 3.49Å; K476-E676 IonicContact NZ-OE1 2.72Å; K476-E676 PolarHBondContact NZ-OE1 3.23Å; K476-E676 IonicContact NZ-OE2 2.83Å; K476-E676 PolarHBondContact NZ-OE2 3.46Å
477	R	81.7	Confident	82	Confident	34 Å²	34	41.5 Å²	41.5	13%	0.128	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.6	170.7	-68	-169.5	-57.6	96.2	31.7	110.1	G269 P474 E479 V642 L643 I644	G269-R477 VanDerWaalsContact C-NH2 3.31Å; G269-R477 PolarHBondContact O-NE 3.25Å; G269-R477 PolarHBondContact O-NH1 2.66Å; G269-R477 VanDerWaalsContact O-NH1 3.12Å; G269-R477 PolarHBondContact O-NH2 3.46Å; P474-R477 HydrophobicContact CG-CG 3.45Å; P474-R477 VanDerWaalsContact CG-CG 3.45Å; R477-E479 IonicContact CZ-OE1 2.9Å; R477-E479 IonicContact NH1-OE1 3.65Å; R477-E479 PolarHBondContact NH1-OE1 3.19Å; R477-E479 IonicContact NH2-OE1 3.22Å; R477-V642 PolarHBondContact N-O 3.31Å; R477-L643 HydrophobicContact CB-CD1 4.4Å; R477-I644 WeakPolarHBondContact O-CD1 3.41Å; R477-I644 PolarHBondContact O-N 3.13Å
478	R	85.7	Confident	82.5	Confident	17 Å²	17	38.9 Å²	38.9	6%	0.064	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134	-179.4	-67.8	178.1	179.3	95.7	-2.7	108.9	E630 I644 Y646 E676 F678 A681 D682	R478-E630 IonicContact CZ-OE2 2.57Å; R478-E630 IonicContact NE-OE1 2.79Å; R478-E630 IonicContact NE-OE2 4Å; R478-E630 PolarHBondContact NE-OE2 3.41Å; R478-E630 IonicContact NH2-OE2 3.93Å; R478-E630 PolarHBondContact NH2-OE2 2.94Å; R478-I644 CarbonylContact C-O 3.49Å; R478-I644 WeakPolarHBondContact CA-O 3.28Å; R478-I644 HydrophobicContact CG-CB 4.06Å; R478-I644 HydrophobicContact CG-CD1 4.42Å; R478-I644 HydrophobicContact CG-CG2 4.48Å; R478-Y646 HydrophobicContact CB-CE2 4.16Å; R478-Y646 HydrophobicContact CG-CE2 4.14Å; R478-Y646 PolarHBondContact NE-OH 3.15Å; R478-E676 IonicContact CZ-OE2 3.49Å; R478-E676 VanDerWaalsContact CZ-OE2 3.23Å; R478-E676 IonicContact NH1-OE2 3.53Å; R478-E676 PolarHBondContact NH1-OE2 3.5Å; R478-E676 IonicContact NH2-OE2 3.93Å; R478-E676 PolarHBondContact NH2-OE2 3.01Å; R478-F678 VanDerWaalsContact CD-CE1 3.48Å; R478-A681 HydrophobicContact CB-CB 3.77Å; R478-A681 VanDerWaalsContact O-CA 3.23Å; R478-A681 WeakPolarHBondContact O-CA 3.41Å; R478-D682 PolarHBondContact O-N 3.02Å
479	E	85	Confident	82.5	Confident	25 Å²	25	39.9 Å²	39.9	12%	0.117	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.1	178.4	-60.1	174.1	-177.8	0	0	108.4	R477 L643 I644 R645 Y646 D682	R477-E479 IonicContact CZ-OE1 2.9Å; R477-E479 IonicContact NH1-OE1 3.65Å; R477-E479 PolarHBondContact NH1-OE1 3.19Å; R477-E479 IonicContact NH2-OE1 3.22Å; E479-L643 HydrophobicContact CB-CD1 4.33Å; E479-L643 HydrophobicContact CG-CD1 3.58Å; E479-L643 VanDerWaalsContact OE1-CD1 3.29Å; E479-L643 WeakPolarHBondContact OE1-CD1 3.35Å; E479-I644 PolarHBondContact N-O 2.99Å; E479-R645 HydrophobicContact CB-CG 4.25Å; E479-R645 WeakPolarHBondContact O-CA 3.33Å; E479-R645 IonicContact OE2-CZ 3.76Å; E479-R645 IonicContact OE2-NE 2.73Å; E479-R645 PolarHBondContact OE2-NE 3.45Å; E479-R645 IonicContact OE2-NH2 3.71Å; E479-R645 PolarHBondContact OE2-NH2 2.72Å; E479-Y646 PolarHBondContact O-N 2.94Å; E479-D682 WeakPolarHBondContact CG-OD2 3.32Å
480	L	86.8	Confident	82.2	Confident	8 Å²	8	48.2 Å²	48.2	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.1	167.9	-72.5	-176.2	0	0	0	109.3	Y646 I648 W658	L480-Y646 HydrophobicContact CD2-CD2 4.26Å; L480-I648 HydrophobicContact CB-CD1 4.21Å; L480-I648 HydrophobicContact CD1-CD1 3.92Å; L480-I648 HydrophobicContact CD2-CD1 4.24Å; L480-I648 HydrophobicContact CD2-CG2 4.18Å; L480-I648 HydrophobicContact CG-CD1 4.37Å; L480-W658 HydrophobicContact CD1-CD2 4.07Å; L480-W658 VanDerWaalsContact CD1-CE2 3.43Å; L480-W658 HydrophobicContact CD1-CH2 4.18Å; L480-W658 HydrophobicContact CD1-CZ2 3.5Å; L480-W658 HydrophobicContact CD2-CD2 3.98Å; L480-W658 HydrophobicContact CD2-CE3 3.78Å; L480-W658 HydrophobicContact CD2-CH2 3.33Å; L480-W658 HydrophobicContact CD2-CZ2 3.59Å; L480-W658 HydrophobicContact CD2-CZ3 3.46Å; L480-W658 VanDerWaalsContact CD2-CZ3 3.46Å; L480-W658 HydrophobicContact CG-CH2 3.89Å; L480-W658 HydrophobicContact CG-CZ2 3.7Å; L480-W658 HydrophobicContact CG-CZ3 4.46Å
481	V	89.5	Confident	82.1	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	107.3	174	-177.1	0	0	0	0	108.1	L483 Y532 R645 Y646 L647 I648	V481-L483 PolarHBondContact O-N 2.9Å; V481-Y532 HydrophobicContact CG1-CD2 4.25Å; V481-Y532 HydrophobicContact CG1-CE2 3.74Å; V481-R645 HydrophobicContact CG2-CB 4.2Å; V481-R645 HydrophobicContact CG2-CG 4.34Å; V481-Y646 PolarHBondContact N-O 3.04Å; V481-L647 HydrophobicContact CB-CD2 3.73Å; V481-L647 HydrophobicContact CG1-CD2 4.06Å; V481-L647 HydrophobicContact CG2-CD2 4.23Å; V481-I648 PolarHBondContact O-N 3.25Å
482	V	89.5	Confident	82.2	Confident	7 Å²	7	46.7 Å²	46.7	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	113.4	172.6	-177.9	0	0	0	0	108.6	D303 I648 E650	D303-V482 WeakPolarHBondContact OD2-CG2 3.21Å; V482-I648 HydrophobicContact CG2-CD1 3.99Å; V482-I648 HydrophobicContact CG2-CG1 4.06Å; V482-E650 HydrophobicContact CG1-CG 4.29Å
483	L	90.9	Very high	82.4	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.			trans	-66.8	151.8	175.8	-68.8	178.6	0	0	0	110.8	V481 P485 I488 K525 A528 I529 L647 I648	V481-L483 PolarHBondContact O-N 2.9Å; L483-P485 WeakPolarHBondContact O-CD 3.42Å; L483-I488 HydrophobicContact CB-CD1 4.1Å; L483-K525 HydrophobicContact CD1-CB 4.22Å; L483-K525 HydrophobicContact CD1-CD 4.48Å; L483-K525 HydrophobicContact CD1-CG 4.18Å; L483-A528 HydrophobicContact CB-CB 4.1Å; L483-A528 HydrophobicContact CD1-CB 4.18Å; L483-A528 HydrophobicContact CD2-CB 4.34Å; L483-A528 HydrophobicContact CG-CB 4.45Å; L483-I529 HydrophobicContact CD1-CG1 3.89Å; L483-L647 HydrophobicContact CD1-CB 4.12Å; L483-L647 HydrophobicContact CD2-CB 4.18Å; L483-L647 HydrophobicContact CD2-CD1 4.26Å; L483-L647 HydrophobicContact CG-CB 4.13Å; L483-I648 WeakPolarHBondContact CB-O 2.95Å; L483-I648 PolarHBondContact N-O 3.35Å
484	D	86.1	Confident	82.6	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.011	27%	0.266	C	S	.	.			trans	-62.9	110.5	-179.1	-173.5	-19.8	0	0	0	112.4	R298 F299 S486 V487 I488	R298-D484 IonicContact CZ-OD2 3.6Å; R298-D484 IonicContact NE-OD2 3.79Å; R298-D484 IonicContact NH2-OD1 3.69Å; R298-D484 IonicContact NH2-OD2 2.66Å; R298-D484 PolarHBondContact NH2-OD2 3.32Å; F299-D484 HydrophobicContact CD2-CB 4.01Å; F299-D484 HydrophobicContact CE2-CB 4.27Å; F299-D484 VanDerWaalsContact CE2-CG 3.45Å; F299-D484 WeakPolarHBondContact CE2-OD1 3.14Å; D484-S486 VanDerWaalsContact CG-OG 3.23Å; D484-S486 PolarHBondContact O-N 3.43Å; D484-S486 VanDerWaalsContact O-N 3.15Å; D484-S486 WeakPolarHBondContact OD1-CA 3.4Å; D484-S486 VanDerWaalsContact OD1-CB 3.26Å; D484-S486 WeakPolarHBondContact OD1-CB 3.08Å; D484-S486 PolarHBondContact OD1-N 3.03Å; D484-S486 PolarHBondContact OD1-OG 3.19Å; D484-S486 PolarHBondContact OD2-OG 3.03Å; D484-V487 HydrophobicContact CB-CB 4.35Å; D484-V487 HydrophobicContact CB-CG2 4.06Å; D484-V487 PolarHBondContact O-N 3.48Å; D484-V487 VanDerWaalsContact O-N 3.1Å; D484-I488 WeakPolarHBondContact O-CG1 3.39Å; D484-I488 PolarHBondContact O-N 2.83Å
485	P	85.7	Confident	82.9	Confident	47 Å²	47	52.5 Å²	52.5	31%	0.305	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.9	179.7	-21.3	34.7	0	0	0	113.6	F299 L483 V487	F299-P485 HydrophobicContact CD1-CG 4.01Å; F299-P485 HydrophobicContact CE1-CG 4.08Å; F299-P485 VanDerWaalsContact CG-CD 3.48Å; F299-P485 HydrophobicContact CG-CG 4.4Å; L483-P485 WeakPolarHBondContact O-CD 3.42Å; P485-V487 VanDerWaalsContact C-N 3.26Å; P485-V487 PolarHBondContact O-N 3.39Å
486	S	83.6	Confident	83.1	Confident	69 Å²	69	50.5 Å²	50.5	48%	0.483	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.9	178.8	73	0	0	0	0	113.3	D484	D484-S486 VanDerWaalsContact CG-OG 3.23Å; D484-S486 PolarHBondContact O-N 3.43Å; D484-S486 VanDerWaalsContact O-N 3.15Å; D484-S486 WeakPolarHBondContact OD1-CA 3.4Å; D484-S486 VanDerWaalsContact OD1-CB 3.26Å; D484-S486 WeakPolarHBondContact OD1-CB 3.08Å; D484-S486 PolarHBondContact OD1-N 3.03Å; D484-S486 PolarHBondContact OD1-OG 3.19Å; D484-S486 PolarHBondContact OD2-OG 3.03Å
487	V	84.8	Confident	83	Confident	42 Å²	42	50.8 Å²	50.8	26%	0.255	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-19.9	-179.8	-177.2	0	0	0	0	111.5	D484 P485 P527 A528	D484-V487 HydrophobicContact CB-CB 4.35Å; D484-V487 HydrophobicContact CB-CG2 4.06Å; D484-V487 PolarHBondContact O-N 3.48Å; D484-V487 VanDerWaalsContact O-N 3.1Å; P485-V487 VanDerWaalsContact C-N 3.26Å; P485-V487 PolarHBondContact O-N 3.39Å; V487-P527 HydrophobicContact CG1-CB 3.85Å; V487-A528 HydrophobicContact CB-CB 4.19Å; V487-A528 HydrophobicContact CG1-CB 4.08Å
488	I	85.3	Confident	83	Confident	21 Å²	21	56.6 Å²	56.6	11%	0.108	30%	0.301	C	S	.	.	S	Bend	trans	-73.2	126.8	178.1	-65.7	160.7	0	0	0	110.1	L483 D484 V524 A528 A649	L483-I488 HydrophobicContact CB-CD1 4.1Å; D484-I488 WeakPolarHBondContact O-CG1 3.39Å; D484-I488 PolarHBondContact O-N 2.83Å; I488-V524 HydrophobicContact CG2-CB 4.21Å; I488-V524 HydrophobicContact CG2-CG2 4.16Å; I488-A528 HydrophobicContact CG1-CB 4.08Å; I488-A649 HydrophobicContact CD1-CB 3.45Å; I488-A649 VanDerWaalsContact CD1-CB 3.45Å
489	K	78.1	Confident	82.9	Confident	141 Å²	141	58.2 Å²	58.2	61%	0.613	31%	0.313	S	S	*	.			trans	-74.1	133.2	176.3	-66.6	177.7	-178.3	171.6	0	109.2	G491 V524 P527	K489-G491 PolarHBondContact O-N 3.29Å; K489-V524 VanDerWaalsContact O-CB 3.27Å; K489-V524 WeakPolarHBondContact O-CB 3.26Å; K489-V524 VanDerWaalsContact O-CG1 3.27Å; K489-V524 WeakPolarHBondContact O-CG1 3.28Å; K489-P527 HydrophobicContact CD-CG 4.46Å
490	K	75.2	Confident	82.6	Confident	182 Å²	182	58.4 Å²	58.4	79%	0.791	31%	0.314	S	S	*	.			trans	-67.7	-21.5	-179.1	-70.5	-170.7	176	-173.8	0	114.3	L493	K490-L493 WeakPolarHBondContact O-CB 3.34Å; K490-L493 WeakPolarHBondContact O-CD1 3.39Å; K490-L493 VanDerWaalsContact O-CG 3.32Å; K490-L493 WeakPolarHBondContact O-CG 3.26Å; K490-L493 PolarHBondContact O-N 2.92Å
491	G	72.5	Confident	82.2	Confident	52 Å²	52	61.4 Å²	61.4	54%	0.536	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.1	-142	172.7	0	0	0	0	0	114	K489	K489-G491 PolarHBondContact O-N 3.29Å
492	N	79	Confident	81.8	Confident	101 Å²	101	63.7 Å²	63.7	54%	0.54	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	13.8	170.8	-70.3	-38	0	0	0	113	G494 R495 H496 E520	N492-G494 VanDerWaalsContact C-N 3.26Å; N492-G494 PolarHBondContact O-N 2.95Å; N492-G494 VanDerWaalsContact O-N 3.13Å; N492-R495 WeakPolarHBondContact O-CB 3.45Å; N492-R495 PolarHBondContact O-N 3.01Å; N492-H496 PolarHBondContact O-CD2 3.26Å; N492-H496 PolarHBondContact O-N 3.26Å; N492-E520 PolarHBondContact N-OE1 3.09Å
493	L	80.7	Confident	81	Confident	13 Å²	13	69.9 Å²	69.9	7%	0.068	38%	0.377	C	S	.	.	H	α-helix	trans	-53.5	-40.7	-172.2	-62	170.6	0	0	0	113.1	K490 R495 H496 A497 Y517 E520 V524 T652	K490-L493 WeakPolarHBondContact O-CB 3.34Å; K490-L493 WeakPolarHBondContact O-CD1 3.39Å; K490-L493 VanDerWaalsContact O-CG 3.32Å; K490-L493 WeakPolarHBondContact O-CG 3.26Å; K490-L493 PolarHBondContact O-N 2.92Å; L493-R495 VanDerWaalsContact C-N 3.28Å; L493-R495 PolarHBondContact O-N 3.41Å; L493-H496 PolarHBondContact O-N 3.24Å; L493-A497 WeakPolarHBondContact O-CB 3.5Å; L493-A497 PolarHBondContact O-N 3.41Å; L493-Y517 HydrophobicContact CB-CE2 4.37Å; L493-Y517 HydrophobicContact CD2-CD2 4.33Å; L493-Y517 HydrophobicContact CD2-CE2 3.73Å; L493-E520 HydrophobicContact CD2-CG 3.87Å; L493-V524 HydrophobicContact CD1-CB 4.31Å; L493-V524 HydrophobicContact CD1-CG1 4.2Å; L493-V524 HydrophobicContact CD1-CG2 3.91Å; L493-V524 HydrophobicContact CD2-CG1 4.12Å; L493-V524 HydrophobicContact CD2-CG2 3.76Å; L493-V524 HydrophobicContact CG-CG1 4.09Å; L493-V524 HydrophobicContact CG-CG2 4.24Å; L493-T652 HydrophobicContact CD1-CG2 4.24Å; L493-T652 HydrophobicContact CD2-CG2 4.46Å
494	G	78.7	Confident	80.3	Confident	58 Å²	58	79.2 Å²	79.2	60%	0.598	42%	0.417	S	S	*	.	H	α-helix	trans	-63.2	-31.9	179.8	0	0	0	0	0	113.6	N492 K498	N492-G494 VanDerWaalsContact C-N 3.26Å; N492-G494 PolarHBondContact O-N 2.95Å; N492-G494 VanDerWaalsContact O-N 3.13Å; G494-K498 WeakPolarHBondContact O-CB 3.5Å; G494-K498 PolarHBondContact O-N 2.92Å
495	R	81.3	Confident	79.8	Confident	191 Å²	191	81 Å²	81	72%	0.721	43%	0.427	S	S	*	.	H	α-helix	trans	-70.5	-49	175.6	-175.9	-177.3	173.8	101.9	0	110.2	N492 L493 K498 T499	N492-R495 WeakPolarHBondContact O-CB 3.45Å; N492-R495 PolarHBondContact O-N 3.01Å; L493-R495 VanDerWaalsContact C-N 3.28Å; L493-R495 PolarHBondContact O-N 3.41Å; R495-K498 PolarHBondContact O-N 3.16Å; R495-T499 PolarHBondContact O-N 3.04Å; R495-T499 PolarHBondContact O-OG1 3.4Å; R495-T499 VanDerWaalsContact O-OG1 3.1Å
496	H	82.5	Confident	79.6	Confident	27 Å²	27	81.4 Å²	81.4	13%	0.125	43%	0.431	C	S	.	.	H	α-helix	trans	-63.6	-42.4	179.2	-70	-75.4	0	0	0	112.4	N492 L493 K498 T499 M500 E516 Y517	N492-H496 PolarHBondContact O-CD2 3.26Å; N492-H496 PolarHBondContact O-N 3.26Å; L493-H496 PolarHBondContact O-N 3.24Å; H496-K498 VanDerWaalsContact C-N 3.29Å; H496-K498 PolarHBondContact O-N 2.92Å; H496-T499 PolarHBondContact O-N 3.34Å; H496-M500 PolarHBondContact O-N 2.99Å; H496-E516 IonicContact CE1-OE2 3.68Å; H496-Y517 HydrophobicContact CB-CD1 4.22Å; H496-Y517 HydrophobicContact CB-CD2 3.34Å; H496-Y517 HydrophobicContact CB-CE2 3.88Å; H496-Y517 HydrophobicContact CB-CG 3.53Å
497	A	81	Confident	79.4	Confident	22 Å²	22	82.5 Å²	82.5	18%	0.182	44%	0.438	C	S	.	.	H	α-helix	trans	-58.4	-41.6	174.3	0	0	0	0	0	111.7	L493 M500 L501 Y517	L493-A497 WeakPolarHBondContact O-CB 3.5Å; L493-A497 PolarHBondContact O-N 3.41Å; A497-M500 WeakPolarHBondContact O-CB 3.24Å; A497-M500 PolarHBondContact O-N 3.33Å; A497-L501 WeakPolarHBondContact O-CD1 3.38Å; A497-L501 VanDerWaalsContact O-CG 3.25Å; A497-L501 WeakPolarHBondContact O-CG 3.4Å; A497-L501 PolarHBondContact O-N 3.2Å; A497-L501 VanDerWaalsContact O-N 3.14Å; A497-Y517 HydrophobicContact CB-CE1 4.41Å
498	K	81.7	Confident	79.2	Confident	156 Å²	156	89 Å²	89	68%	0.678	46%	0.463	S	S	*	.	H	α-helix	trans	-67.3	-42	176.9	-171.4	177.9	-179.9	-178.6	0	112.3	G494 R495 H496 M500 L501 T502	G494-K498 WeakPolarHBondContact O-CB 3.5Å; G494-K498 PolarHBondContact O-N 2.92Å; R495-K498 PolarHBondContact O-N 3.16Å; H496-K498 VanDerWaalsContact C-N 3.29Å; H496-K498 PolarHBondContact O-N 2.92Å; K498-M500 VanDerWaalsContact C-N 3.29Å; K498-M500 PolarHBondContact O-N 3.19Å; K498-L501 PolarHBondContact O-N 3.3Å; K498-T502 PolarHBondContact O-N 2.9Å; K498-T502 PolarHBondContact O-OG1 3.24Å
499	T	82.2	Confident	79.2	Confident	51 Å²	51	92.8 Å²	92.8	31%	0.313	48%	0.48	S	S	.	.	H	α-helix	trans	-58.6	-44.1	174.3	-56.3	0	0	0	0	110.4	R495 H496 L501 T502 L505 A513	R495-T499 PolarHBondContact O-N 3.04Å; R495-T499 PolarHBondContact O-OG1 3.4Å; R495-T499 VanDerWaalsContact O-OG1 3.1Å; H496-T499 PolarHBondContact O-N 3.34Å; T499-L501 VanDerWaalsContact C-N 3.34Å; T499-L501 PolarHBondContact O-N 3.19Å; T499-T502 WeakPolarHBondContact O-CB 3.31Å; T499-T502 PolarHBondContact O-N 2.93Å; T499-T502 VanDerWaalsContact O-N 3.15Å; T499-T502 PolarHBondContact O-OG1 3.36Å; T499-L505 HydrophobicContact CG2-CD1 3.84Å; T499-L505 WeakPolarHBondContact O-CD1 3.32Å; T499-A513 HydrophobicContact CG2-CB 3.9Å
500	M	79.9	Confident	79.2	Confident	29 Å²	29	90.2 Å²	90.2	14%	0.143	47%	0.469	C	S	.	.	H	α-helix	trans	-59.2	-39.5	176.9	-88.2	-63.8	156.2	0	0	114.8	H496 A497 K498 T502 K510 A513 L514 Y517 F656	H496-M500 PolarHBondContact O-N 2.99Å; A497-M500 WeakPolarHBondContact O-CB 3.24Å; A497-M500 PolarHBondContact O-N 3.33Å; K498-M500 VanDerWaalsContact C-N 3.29Å; K498-M500 PolarHBondContact O-N 3.19Å; M500-T502 PolarHBondContact O-N 3.04Å; M500-K510 WeakPolarHBondContact CE-O 3.33Å; M500-A513 HydrophobicContact CE-CB 3.7Å; M500-L514 HydrophobicContact CE-CB 3.42Å; M500-L514 VanDerWaalsContact CE-CB 3.42Å; M500-L514 HydrophobicContact CE-CD1 3.88Å; M500-L514 HydrophobicContact CE-CG 4.25Å; M500-Y517 HydrophobicContact CG-CD1 3.94Å; M500-Y517 HydrophobicContact CG-CE1 4.44Å; M500-F656 HydrophobicContact CB-CE1 4.09Å; M500-F656 HydrophobicContact CB-CZ 4.06Å
501	L	79	Confident	79.5	Confident	71 Å²	71	85.9 Å²	85.9	37%	0.372	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	4.7	-178.7	-61.1	166.2	0	0	0	112.6	A497 K498 T499 D503 F656 F693	A497-L501 WeakPolarHBondContact O-CD1 3.38Å; A497-L501 VanDerWaalsContact O-CG 3.25Å; A497-L501 WeakPolarHBondContact O-CG 3.4Å; A497-L501 PolarHBondContact O-N 3.2Å; A497-L501 VanDerWaalsContact O-N 3.14Å; K498-L501 PolarHBondContact O-N 3.3Å; T499-L501 VanDerWaalsContact C-N 3.34Å; T499-L501 PolarHBondContact O-N 3.19Å; L501-D503 PolarHBondContact O-N 3.05Å; L501-F656 HydrophobicContact CD2-CE1 3.88Å; L501-F656 HydrophobicContact CD2-CZ 3.97Å; L501-F656 HydrophobicContact CG-CE1 4.44Å; L501-F656 HydrophobicContact CG-CZ 4.2Å; L501-F693 HydrophobicContact CD2-CD2 4.25Å; L501-F693 HydrophobicContact CD2-CE2 3.69Å
502	T	81	Confident	80.1	Confident	56 Å²	56	86.4 Å²	86.4	34%	0.344	44%	0.443	S	S	.	.			trans	-84.5	110.6	179.4	-59.2	0	0	0	0	110	K498 T499 M500 K504 L505	K498-T502 PolarHBondContact O-N 2.9Å; K498-T502 PolarHBondContact O-OG1 3.24Å; T499-T502 WeakPolarHBondContact O-CB 3.31Å; T499-T502 PolarHBondContact O-N 2.93Å; T499-T502 VanDerWaalsContact O-N 3.15Å; T499-T502 PolarHBondContact O-OG1 3.36Å; M500-T502 PolarHBondContact O-N 3.04Å; T502-K504 HydrophobicContact CG2-CB 4.29Å; T502-K504 PolarHBondContact O-N 2.92Å; T502-K504 VanDerWaalsContact O-N 3.1Å; T502-L505 PolarHBondContact O-N 3.33Å
503	D	71.7	Confident	80.4	Confident	136 Å²	136	82 Å²	82	73%	0.727	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.8	-176.3	-65.6	-32.9	0	0	0	114.6	L501 L505	L501-D503 PolarHBondContact O-N 3.05Å; D503-L505 VanDerWaalsContact C-N 3.33Å; D503-L505 PolarHBondContact O-N 3.4Å
504	K	75.7	Confident	80.7	Confident	196 Å²	196	82.7 Å²	82.7	85%	0.852	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.6	-173.5	-64.3	-171.7	177.1	-173	0	115.6	T502	T502-K504 HydrophobicContact CG2-CB 4.29Å; T502-K504 PolarHBondContact O-N 2.92Å; T502-K504 VanDerWaalsContact O-N 3.1Å
505	L	76.8	Confident	81.2	Confident	39 Å²	39	83.6 Å²	83.6	20%	0.204	41%	0.412	C	S	.	.			trans	-80.3	134.9	-176.4	-66	173	0	0	0	111.1	T499 T502 D503 E509 K510	T499-L505 HydrophobicContact CG2-CD1 3.84Å; T499-L505 WeakPolarHBondContact O-CD1 3.32Å; T502-L505 PolarHBondContact O-N 3.33Å; D503-L505 VanDerWaalsContact C-N 3.33Å; D503-L505 PolarHBondContact O-N 3.4Å; L505-E509 HydrophobicContact CB-CB 4.14Å; L505-E509 HydrophobicContact CD2-CB 4Å; L505-K510 HydrophobicContact CB-CG 3.66Å; L505-K510 HydrophobicContact CD1-CG 4.45Å; L505-K510 VanDerWaalsContact O-CE 3.25Å; L505-K510 WeakPolarHBondContact O-CE 3.27Å
506	S	82.1	Confident	81.5	Confident	57 Å²	57	79.7 Å²	79.7	40%	0.399	40%	0.402	S	S	.	.			trans	-62.4	160.1	168.7	66.1	0	0	0	0	111.4	K508 E509 K510	S506-K508 PolarHBondContact O-N 2.9Å; S506-E509 WeakPolarHBondContact CB-OE2 3.22Å; S506-E509 PolarHBondContact N-OE2 3.33Å; S506-E509 PolarHBondContact O-N 3.41Å; S506-E509 VanDerWaalsContact O-N 3.08Å; S506-E509 VanDerWaalsContact OG-CD 3.26Å; S506-E509 VanDerWaalsContact OG-CG 3.25Å; S506-E509 WeakPolarHBondContact OG-CG 3.15Å; S506-E509 PolarHBondContact OG-N 2.91Å; S506-E509 PolarHBondContact OG-OE2 3.21Å; S506-K510 PolarHBondContact O-N 2.79Å
507	S	79.4	Confident	82	Confident	91 Å²	91	78.4 Å²	78.4	64%	0.636	40%	0.396	S	S	*	.	H	α-helix	trans	-55.9	-36.8	179.3	-54	0	0	0	0	112.8	R511	S507-R511 WeakPolarHBondContact O-CB 3.28Å; S507-R511 PolarHBondContact O-N 3.36Å
508	K	80.3	Confident	82.5	Confident	179 Å²	179	77.5 Å²	77.5	78%	0.778	39%	0.388	S	S	*	.	H	α-helix	trans	-67.6	-41.9	176.5	-171.3	174.4	-178.6	174	0	112.2	S506 R511 S512	S506-K508 PolarHBondContact O-N 2.9Å; K508-R511 PolarHBondContact O-N 3.08Å; K508-S512 PolarHBondContact O-N 3.46Å
509	E	83.6	Confident	83	Confident	100 Å²	100	73.5 Å²	73.5	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-69.7	-40.5	177.6	-68.3	165.3	132.2	0	0	111.9	L505 S506 R511 S512 A513	L505-E509 HydrophobicContact CB-CB 4.14Å; L505-E509 HydrophobicContact CD2-CB 4Å; S506-E509 WeakPolarHBondContact CB-OE2 3.22Å; S506-E509 PolarHBondContact N-OE2 3.33Å; S506-E509 PolarHBondContact O-N 3.41Å; S506-E509 VanDerWaalsContact O-N 3.08Å; S506-E509 VanDerWaalsContact OG-CD 3.26Å; S506-E509 VanDerWaalsContact OG-CG 3.25Å; S506-E509 WeakPolarHBondContact OG-CG 3.15Å; S506-E509 PolarHBondContact OG-N 2.91Å; S506-E509 PolarHBondContact OG-OE2 3.21Å; E509-R511 VanDerWaalsContact C-N 3.27Å; E509-R511 PolarHBondContact O-N 3.28Å; E509-S512 PolarHBondContact O-N 3.24Å; E509-A513 WeakPolarHBondContact O-CB 3.32Å; E509-A513 PolarHBondContact O-N 2.59Å
510	K	79.9	Confident	83.5	Confident	87 Å²	87	72.8 Å²	72.8	38%	0.378	37%	0.365	S	S	.	.	H	α-helix	trans	-57.5	-42.8	172.3	-73.5	-179.1	178.3	169.8	0	110.8	M500 L505 S506 A513 L514	M500-K510 WeakPolarHBondContact CE-O 3.33Å; L505-K510 HydrophobicContact CB-CG 3.66Å; L505-K510 HydrophobicContact CD1-CG 4.45Å; L505-K510 VanDerWaalsContact O-CE 3.25Å; L505-K510 WeakPolarHBondContact O-CE 3.27Å; S506-K510 PolarHBondContact O-N 2.79Å; K510-A513 PolarHBondContact O-N 2.88Å; K510-L514 PolarHBondContact O-N 2.88Å
511	R	79.7	Confident	84.1	Confident	91 Å²	91	71.5 Å²	71.5	34%	0.343	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-47.8	175.9	-177.8	176.4	178.4	177.8	-3.3	111.8	S507 K508 E509 A513 L514 F515	S507-R511 WeakPolarHBondContact O-CB 3.28Å; S507-R511 PolarHBondContact O-N 3.36Å; K508-R511 PolarHBondContact O-N 3.08Å; E509-R511 VanDerWaalsContact C-N 3.27Å; E509-R511 PolarHBondContact O-N 3.28Å; R511-A513 VanDerWaalsContact C-N 3.35Å; R511-A513 PolarHBondContact O-N 3.14Å; R511-L514 WeakPolarHBondContact O-CB 3.41Å; R511-L514 PolarHBondContact O-N 3.36Å; R511-L514 VanDerWaalsContact O-N 3.08Å; R511-F515 HydrophobicContact CG-CD2 4.06Å; R511-F515 HydrophobicContact CG-CE2 3.47Å; R511-F515 VanDerWaalsContact CG-CE2 3.47Å; R511-F515 HydrophobicContact CG-CZ 4.31Å; R511-F515 WeakPolarHBondContact O-CD2 3.45Å; R511-F515 PolarHBondContact O-N 2.83Å
512	S	85.5	Confident	84.8	Confident	63 Å²	63	68.1 Å²	68.1	44%	0.441	34%	0.341	S	S	.	.	H	α-helix	trans	-59.1	-45.8	176.8	-164.7	0	0	0	0	111.9	K508 E509 L514 F515 E516	K508-S512 PolarHBondContact O-N 3.46Å; E509-S512 PolarHBondContact O-N 3.24Å; S512-L514 PolarHBondContact O-N 3.23Å; S512-F515 PolarHBondContact O-N 3.45Å; S512-E516 PolarHBondContact O-N 3.22Å
513	A	86.4	Confident	85.3	Confident	9 Å²	9	67.6 Å²	67.6	7%	0.074	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-29.6	177	0	0	0	0	0	112.3	T499 M500 E509 K510 R511 Y517	T499-A513 HydrophobicContact CG2-CB 3.9Å; M500-A513 HydrophobicContact CE-CB 3.7Å; E509-A513 WeakPolarHBondContact O-CB 3.32Å; E509-A513 PolarHBondContact O-N 2.59Å; K510-A513 PolarHBondContact O-N 2.88Å; R511-A513 VanDerWaalsContact C-N 3.35Å; R511-A513 PolarHBondContact O-N 3.14Å; A513-Y517 VanDerWaalsContact O-CB 3.28Å; A513-Y517 WeakPolarHBondContact O-CB 3.34Å; A513-Y517 PolarHBondContact O-N 3.42Å
514	L	87.1	Confident	86.3	Confident	27 Å²	27	61.4 Å²	61.4	14%	0.141	31%	0.307	C	S	.	.	H	α-helix	trans	-71.8	-42.1	179.1	-172.8	60.4	0	0	0	111.5	M500 K510 R511 S512 Y517 F518 I657	M500-L514 HydrophobicContact CE-CB 3.42Å; M500-L514 VanDerWaalsContact CE-CB 3.42Å; M500-L514 HydrophobicContact CE-CD1 3.88Å; M500-L514 HydrophobicContact CE-CG 4.25Å; K510-L514 PolarHBondContact O-N 2.88Å; R511-L514 WeakPolarHBondContact O-CB 3.41Å; R511-L514 PolarHBondContact O-N 3.36Å; R511-L514 VanDerWaalsContact O-N 3.08Å; S512-L514 PolarHBondContact O-N 3.23Å; L514-Y517 PolarHBondContact O-N 3.48Å; L514-F518 WeakPolarHBondContact O-CB 3.36Å; L514-F518 PolarHBondContact O-N 3.44Å; L514-I657 HydrophobicContact CD1-CG1 4.28Å
515	F	87.5	Confident	87.2	Confident	77 Å²	77	52.1 Å²	52.1	34%	0.338	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-47.1	175.8	-70.9	-66.2	0	0	0	111.7	R511 S512 Y517 F518 H519 W621	R511-F515 HydrophobicContact CG-CD2 4.06Å; R511-F515 HydrophobicContact CG-CE2 3.47Å; R511-F515 VanDerWaalsContact CG-CE2 3.47Å; R511-F515 HydrophobicContact CG-CZ 4.31Å; R511-F515 WeakPolarHBondContact O-CD2 3.45Å; R511-F515 PolarHBondContact O-N 2.83Å; S512-F515 PolarHBondContact O-N 3.45Å; F515-Y517 VanDerWaalsContact C-N 3.34Å; F515-Y517 PolarHBondContact O-N 3.28Å; F515-F518 PolarHBondContact O-N 3.42Å; F515-H519 WeakPolarHBondContact O-CB 3.42Å; F515-H519 PolarHBondContact O-N 3.34Å; F515-W621 AromaticContact CD1-CH2 3.81Å; F515-W621 HydrophobicContact CD1-CH2 3.81Å; F515-W621 HydrophobicContact CD1-CZ2 4.39Å; F515-W621 HydrophobicContact CD1-CZ3 4.14Å; F515-W621 AromaticContact CE1-CH2 3.29Å; F515-W621 HydrophobicContact CE1-CH2 3.29Å; F515-W621 AromaticContact CE1-CZ2 3.47Å; F515-W621 HydrophobicContact CE1-CZ2 3.47Å; F515-W621 VanDerWaalsContact CE1-CZ2 3.47Å; F515-W621 AromaticContact CE1-CZ3 3.99Å; F515-W621 HydrophobicContact CE1-CZ3 3.99Å; F515-W621 HydrophobicContact CZ-CH2 4.38Å; F515-W621 HydrophobicContact CZ-CZ2 4.17Å
516	E	89.1	Confident	88.1	Confident	109 Å²	109	51.3 Å²	51.3	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-44	176.3	-68.4	179.7	-170.3	0	0	111.8	H496 S512 F518 H519 E520	H496-E516 IonicContact CE1-OE2 3.68Å; S512-E516 PolarHBondContact O-N 3.22Å; E516-F518 VanDerWaalsContact C-N 3.33Å; E516-F518 PolarHBondContact O-N 3.36Å; E516-H519 PolarHBondContact O-N 2.99Å; E516-E520 PolarHBondContact O-N 3.05Å
517	Y	91.7	Very high	88.6	Confident	1 Å²	1	50.1 Å²	50.1	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-66.6	-37.1	179.2	-168.3	-165.5	0	0	0	112.1	L493 H496 A497 M500 A513 L514 F515 T521 Q651 T652 A653 F656	L493-Y517 HydrophobicContact CB-CE2 4.37Å; L493-Y517 HydrophobicContact CD2-CD2 4.33Å; L493-Y517 HydrophobicContact CD2-CE2 3.73Å; H496-Y517 HydrophobicContact CB-CD1 4.22Å; H496-Y517 HydrophobicContact CB-CD2 3.34Å; H496-Y517 HydrophobicContact CB-CE2 3.88Å; H496-Y517 HydrophobicContact CB-CG 3.53Å; A497-Y517 HydrophobicContact CB-CE1 4.41Å; M500-Y517 HydrophobicContact CG-CD1 3.94Å; M500-Y517 HydrophobicContact CG-CE1 4.44Å; A513-Y517 VanDerWaalsContact O-CB 3.28Å; A513-Y517 WeakPolarHBondContact O-CB 3.34Å; A513-Y517 PolarHBondContact O-N 3.42Å; L514-Y517 PolarHBondContact O-N 3.48Å; F515-Y517 VanDerWaalsContact C-N 3.34Å; F515-Y517 PolarHBondContact O-N 3.28Å; Y517-T521 VanDerWaalsContact O-CB 3.25Å; Y517-T521 WeakPolarHBondContact O-CB 3.43Å; Y517-T521 PolarHBondContact O-N 2.98Å; Y517-T521 PolarHBondContact O-OG1 3.28Å; Y517-Q651 PolarHBondContact OH-O 3.32Å; Y517-T652 WeakPolarHBondContact OH-CA 3.3Å; Y517-T652 PolarHBondContact OH-O 3Å; Y517-A653 HydrophobicContact CD1-CB 3.78Å; Y517-A653 HydrophobicContact CD2-CB 4.25Å; Y517-A653 HydrophobicContact CE1-CB 4.15Å; Y517-A653 HydrophobicContact CG-CB 3.84Å; Y517-A653 VanDerWaalsContact CZ-N 3.32Å; Y517-F656 AromaticContact CE1-CD2 3.86Å; Y517-F656 HydrophobicContact CE1-CD2 3.86Å; Y517-F656 AromaticContact CE1-CE2 3.75Å; Y517-F656 HydrophobicContact CE1-CE2 3.75Å
518	F	92.4	Very high	89.3	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-42.6	176.6	179.7	-122.6	0	0	0	111.6	L514 F515 E516 T521 G522 H548 H549 E618 L619 F620 W621 I657	L514-F518 WeakPolarHBondContact O-CB 3.36Å; L514-F518 PolarHBondContact O-N 3.44Å; F515-F518 PolarHBondContact O-N 3.42Å; E516-F518 VanDerWaalsContact C-N 3.33Å; E516-F518 PolarHBondContact O-N 3.36Å; F518-T521 WeakPolarHBondContact O-CB 3.35Å; F518-T521 PolarHBondContact O-N 3.41Å; F518-G522 PolarHBondContact O-N 3.4Å; F518-H548 HydrophobicContact CE1-CB 4.06Å; F518-H548 AromaticContact CE1-CD2 3.52Å; F518-H548 AromaticContact CE1-CG 3.9Å; F518-H548 HydrophobicContact CZ-CB 4.06Å; F518-H549 AromaticContact CD1-CE1 3.27Å; F518-H549 WeakPolarHBondContact CD1-CE1 3.11Å; F518-H549 AromaticContact CD1-NE2 3.74Å; F518-H549 AromaticContact CE1-CE1 3.35Å; F518-H549 WeakPolarHBondContact CE1-CE1 3.36Å; F518-H549 AromaticContact CE1-NE2 3.99Å; F518-H549 AromaticContact CG-CE1 3.94Å; F518-E618 HydrophobicContact CE2-CB 4.34Å; F518-E618 HydrophobicContact CZ-CB 4.19Å; F518-L619 WeakPolarHBondContact CE2-O 3.12Å; F518-F620 HydrophobicContact CE1-CD2 4.43Å; F518-W621 HydrophobicContact CD1-CE3 4.24Å; F518-W621 AromaticContact CD1-CZ3 3.56Å; F518-W621 HydrophobicContact CD1-CZ3 3.56Å; F518-W621 HydrophobicContact CE1-CE3 4.27Å; F518-W621 AromaticContact CE1-CZ3 3.6Å; F518-W621 HydrophobicContact CE1-CZ3 3.6Å; F518-W621 HydrophobicContact CG-CZ3 4.35Å; F518-W621 HydrophobicContact CZ-CZ3 4.45Å; F518-I657 HydrophobicContact CD2-CD1 3.57Å; F518-I657 HydrophobicContact CE2-CD1 4.12Å; F518-I657 HydrophobicContact CG-CD1 4.28Å
519	H	91.9	Very high	90	Very high	73 Å²	73	37.3 Å²	37.3	34%	0.338	19%	0.186	S	C	.	.	H	α-helix	trans	-61.3	-48.4	174.1	-178	72.2	0	0	0	112.4	F515 E516 T521 G522 S523 H549 D551	F515-H519 WeakPolarHBondContact O-CB 3.42Å; F515-H519 PolarHBondContact O-N 3.34Å; E516-H519 PolarHBondContact O-N 2.99Å; H519-T521 VanDerWaalsContact C-N 3.26Å; H519-T521 PolarHBondContact O-N 3.09Å; H519-G522 PolarHBondContact O-N 3.48Å; H519-S523 PolarHBondContact O-N 3.28Å; H519-H549 VanDerWaalsContact CA-CE1 3.45Å; H519-H549 WeakPolarHBondContact CA-CE1 3.37Å; H519-H549 WeakPolarHBondContact CA-NE2 3.4Å; H519-H549 AromaticContact ND1-CD2 3.35Å; H519-H549 PolarHBondContact ND1-CD2 3.41Å; H519-H549 AromaticContact ND1-CG 3.89Å; H519-H549 AromaticContact ND1-NE2 3.68Å; H519-D551 IonicContact CE1-OD2 3Å; H519-D551 PolarHBondContact CE1-OD2 3.09Å
520	E	91.9	Very high	90.6	Very high	36 Å²	36	35 Å²	35	17%	0.168	18%	0.175	C	C	.	.	H	α-helix	trans	-60.1	-39.1	174.6	-179.7	70.1	-180	0	0	110.9	N492 L493 E516 G522 S523 V524	N492-E520 PolarHBondContact N-OE1 3.09Å; L493-E520 HydrophobicContact CD2-CG 3.87Å; E516-E520 PolarHBondContact O-N 3.05Å; E520-G522 PolarHBondContact O-N 3.15Å; E520-S523 PolarHBondContact O-N 3.37Å; E520-V524 HydrophobicContact CG-CG1 4.35Å; E520-V524 WeakPolarHBondContact O-CG1 3.29Å; E520-V524 WeakPolarHBondContact O-CG2 3.48Å; E520-V524 PolarHBondContact O-N 2.85Å
521	T	93.5	Very high	91.2	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-59.3	-44	177.3	-65.8	0	0	0	0	111.8	Y517 F518 H519 V524 K525 T652 A653	Y517-T521 VanDerWaalsContact O-CB 3.25Å; Y517-T521 WeakPolarHBondContact O-CB 3.43Å; Y517-T521 PolarHBondContact O-N 2.98Å; Y517-T521 PolarHBondContact O-OG1 3.28Å; F518-T521 WeakPolarHBondContact O-CB 3.35Å; F518-T521 PolarHBondContact O-N 3.41Å; H519-T521 VanDerWaalsContact C-N 3.26Å; H519-T521 PolarHBondContact O-N 3.09Å; T521-V524 VanDerWaalsContact O-CG2 3.25Å; T521-V524 WeakPolarHBondContact O-CG2 3.06Å; T521-K525 HydrophobicContact CG2-CD 3.54Å; T521-K525 HydrophobicContact CG2-CG 4.33Å; T521-K525 WeakPolarHBondContact O-CB 3.47Å; T521-K525 WeakPolarHBondContact O-CD 3.5Å; T521-K525 WeakPolarHBondContact O-CG 3.48Å; T521-K525 PolarHBondContact O-N 2.79Å; T521-K525 VanDerWaalsContact O-N 3.12Å; T521-T652 HydrophobicContact CG2-CG2 4.32Å; T521-A653 HydrophobicContact CG2-CB 4.34Å; T521-A653 VanDerWaalsContact OG1-CB 3.23Å; T521-A653 WeakPolarHBondContact OG1-CB 3.31Å; T521-A653 PolarHBondContact OG1-N 3.21Å
522	G	93.2	Very high	91.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-57.5	-49.4	173.5	0	0	0	0	0	111.9	F518 H519 E520 V524 K525 L526 E618	F518-G522 PolarHBondContact O-N 3.4Å; H519-G522 PolarHBondContact O-N 3.48Å; E520-G522 PolarHBondContact O-N 3.15Å; G522-V524 PolarHBondContact O-N 3.23Å; G522-K525 PolarHBondContact O-N 3.01Å; G522-L526 PolarHBondContact O-N 3.26Å; G522-E618 WeakPolarHBondContact CA-OE1 3.49Å
523	S	92.3	Very high	92.3	Very high	45 Å²	45	26.1 Å²	26.1	32%	0.315	13%	0.132	S	C	.	.	H	α-helix	trans	-62.4	-40.1	-178.8	-69.4	0	0	0	0	114	H519 E520	H519-S523 PolarHBondContact O-N 3.28Å; E520-S523 PolarHBondContact O-N 3.37Å
524	V	92.7	Very high	92.6	Very high	6 Å²	6	28.1 Å²	28.1	4%	0.036	14%	0.141	C	C	.	.	H	α-helix	trans	-77.6	-28.4	179.9	-62.4	0	0	0	0	113.5	I488 K489 L493 E520 T521 G522 L526 T652	I488-V524 HydrophobicContact CG2-CB 4.21Å; I488-V524 HydrophobicContact CG2-CG2 4.16Å; K489-V524 VanDerWaalsContact O-CB 3.27Å; K489-V524 WeakPolarHBondContact O-CB 3.26Å; K489-V524 VanDerWaalsContact O-CG1 3.27Å; K489-V524 WeakPolarHBondContact O-CG1 3.28Å; L493-V524 HydrophobicContact CD1-CB 4.31Å; L493-V524 HydrophobicContact CD1-CG1 4.2Å; L493-V524 HydrophobicContact CD1-CG2 3.91Å; L493-V524 HydrophobicContact CD2-CG1 4.12Å; L493-V524 HydrophobicContact CD2-CG2 3.76Å; L493-V524 HydrophobicContact CG-CG1 4.09Å; L493-V524 HydrophobicContact CG-CG2 4.24Å; E520-V524 HydrophobicContact CG-CG1 4.35Å; E520-V524 WeakPolarHBondContact O-CG1 3.29Å; E520-V524 WeakPolarHBondContact O-CG2 3.48Å; E520-V524 PolarHBondContact O-N 2.85Å; T521-V524 VanDerWaalsContact O-CG2 3.25Å; T521-V524 WeakPolarHBondContact O-CG2 3.06Å; G522-V524 PolarHBondContact O-N 3.23Å; V524-L526 VanDerWaalsContact C-N 3.34Å; V524-T652 HydrophobicContact CG2-CG2 4.47Å
525	K	94.3	Very high	92.8	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-75.8	-25.6	179	-76	171.1	67.9	174.3	0	112	L483 T521 G522 A528 I529 A617 L647 A649 D654	L483-K525 HydrophobicContact CD1-CB 4.22Å; L483-K525 HydrophobicContact CD1-CD 4.48Å; L483-K525 HydrophobicContact CD1-CG 4.18Å; T521-K525 HydrophobicContact CG2-CD 3.54Å; T521-K525 HydrophobicContact CG2-CG 4.33Å; T521-K525 WeakPolarHBondContact O-CB 3.47Å; T521-K525 WeakPolarHBondContact O-CD 3.5Å; T521-K525 WeakPolarHBondContact O-CG 3.48Å; T521-K525 PolarHBondContact O-N 2.79Å; T521-K525 VanDerWaalsContact O-N 3.12Å; G522-K525 PolarHBondContact O-N 3.01Å; K525-A528 WeakPolarHBondContact O-CA 3.34Å; K525-A528 WeakPolarHBondContact O-CB 3.47Å; K525-A528 PolarHBondContact O-N 3.26Å; K525-I529 HydrophobicContact CB-CD1 3.55Å; K525-I529 HydrophobicContact CB-CG1 4.05Å; K525-I529 WeakPolarHBondContact O-CG1 3.23Å; K525-I529 PolarHBondContact O-N 3.05Å; K525-A617 PolarHBondContact NZ-O 3.13Å; K525-L647 PolarHBondContact NZ-O 3.16Å; K525-A649 HydrophobicContact CD-CB 3.93Å; K525-A649 HydrophobicContact CG-CB 3.74Å; K525-D654 WeakPolarHBondContact CE-OD2 3.25Å; K525-D654 IonicContact NZ-OD1 3.26Å; K525-D654 PolarHBondContact NZ-OD1 3.44Å; K525-D654 IonicContact NZ-OD2 2.82Å; K525-D654 PolarHBondContact NZ-OD2 3.01Å
526	L	94.5	Very high	92.9	Very high	22 Å²	22	24.9 Å²	24.9	12%	0.115	13%	0.128	C	C	.	.	H	α-helix	trans	-41.7	-54	-174.4	-92.8	173.6	0	0	0	114.3	G522 V524 A528 I529 E530 V552	G522-L526 PolarHBondContact O-N 3.26Å; V524-L526 VanDerWaalsContact C-N 3.34Å; L526-A528 VanDerWaalsContact C-N 3.27Å; L526-A528 PolarHBondContact O-N 3.43Å; L526-I529 PolarHBondContact O-N 2.92Å; L526-I529 VanDerWaalsContact O-N 3.13Å; L526-E530 WeakPolarHBondContact O-CB 3.35Å; L526-E530 VanDerWaalsContact O-CG 3.3Å; L526-E530 WeakPolarHBondContact O-CG 3.25Å; L526-E530 PolarHBondContact O-N 2.73Å; L526-V552 HydrophobicContact CD1-CG2 4.45Å; L526-V552 HydrophobicContact CD2-CB 4.34Å; L526-V552 HydrophobicContact CD2-CG1 3.94Å; L526-V552 HydrophobicContact CD2-CG2 4.42Å; L526-V552 HydrophobicContact CG-CG2 4.27Å
527	P	93.7	Very high	92.9	Very high	32 Å²	32	20.5 Å²	20.5	21%	0.208	11%	0.107	C	C	.	.	H	α-helix	trans	-59.4	-35.9	-179.1	-24.4	35.3	0	0	0	114	V487 K489 Q531	V487-P527 HydrophobicContact CG1-CB 3.85Å; K489-P527 HydrophobicContact CD-CG 4.46Å; P527-Q531 PolarHBondContact O-N 3.21Å
528	A	93.6	Very high	92.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-76.8	-36.5	178.2	0	0	0	0	0	111.7	L483 V487 I488 K525 L526 Q531 Y532	L483-A528 HydrophobicContact CB-CB 4.1Å; L483-A528 HydrophobicContact CD1-CB 4.18Å; L483-A528 HydrophobicContact CD2-CB 4.34Å; L483-A528 HydrophobicContact CG-CB 4.45Å; V487-A528 HydrophobicContact CB-CB 4.19Å; V487-A528 HydrophobicContact CG1-CB 4.08Å; I488-A528 HydrophobicContact CG1-CB 4.08Å; K525-A528 WeakPolarHBondContact O-CA 3.34Å; K525-A528 WeakPolarHBondContact O-CB 3.47Å; K525-A528 PolarHBondContact O-N 3.26Å; L526-A528 VanDerWaalsContact C-N 3.27Å; L526-A528 PolarHBondContact O-N 3.43Å; A528-Q531 PolarHBondContact O-N 3.17Å; A528-Y532 WeakPolarHBondContact O-CB 3.35Å; A528-Y532 PolarHBondContact O-N 3.25Å
529	I	96	Very high	92	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-48	173	-63.3	164.8	0	0	0	109.8	L483 K525 L526 Q531 Y532 V533 L556 A617 L647	L483-I529 HydrophobicContact CD1-CG1 3.89Å; K525-I529 HydrophobicContact CB-CD1 3.55Å; K525-I529 HydrophobicContact CB-CG1 4.05Å; K525-I529 WeakPolarHBondContact O-CG1 3.23Å; K525-I529 PolarHBondContact O-N 3.05Å; L526-I529 PolarHBondContact O-N 2.92Å; L526-I529 VanDerWaalsContact O-N 3.13Å; I529-Q531 VanDerWaalsContact C-N 3.31Å; I529-Q531 PolarHBondContact O-N 3.16Å; I529-Y532 WeakPolarHBondContact O-CB 3.17Å; I529-Y532 PolarHBondContact O-N 3.43Å; I529-Y532 VanDerWaalsContact O-N 3.13Å; I529-V533 HydrophobicContact CG2-CG2 4.27Å; I529-V533 WeakPolarHBondContact O-CG2 3.47Å; I529-V533 PolarHBondContact O-N 3.34Å; I529-L556 HydrophobicContact CG2-CD2 3.96Å; I529-A617 HydrophobicContact CD1-CB 4.17Å; I529-A617 WeakPolarHBondContact CD1-O 3.37Å; I529-A617 HydrophobicContact CG2-CB 3.93Å; I529-L647 HydrophobicContact CG1-CD1 4.24Å; I529-L647 HydrophobicContact CG2-CD1 4.21Å
530	E	95.4	Very high	91.4	Very high	50 Å²	50	22.7 Å²	22.7	23%	0.234	13%	0.127	C	C	.	.	H	α-helix	trans	-57.6	-44.6	178.4	-71.4	-178.4	176.1	0	0	111.2	L526 Y532 V533 L534 S555 L556 L559	L526-E530 WeakPolarHBondContact O-CB 3.35Å; L526-E530 VanDerWaalsContact O-CG 3.3Å; L526-E530 WeakPolarHBondContact O-CG 3.25Å; L526-E530 PolarHBondContact O-N 2.73Å; E530-Y532 PolarHBondContact O-N 3.46Å; E530-V533 PolarHBondContact O-N 2.91Å; E530-L534 VanDerWaalsContact O-CG 3.31Å; E530-L534 WeakPolarHBondContact O-CG 3.4Å; E530-L534 PolarHBondContact O-N 3.05Å; E530-S555 PolarHBondContact OE1-OG 3.29Å; E530-L556 HydrophobicContact CG-CD2 4.41Å; E530-L559 HydrophobicContact CB-CD2 3.8Å; E530-L559 HydrophobicContact CG-CD2 3.91Å
531	Q	92.8	Very high	90.9	Very high	51 Å²	51	23.8 Å²	23.8	24%	0.238	13%	0.132	C	C	.	.	H	α-helix	trans	-61.7	-44	175.3	-172.4	175	42.9	0	0	112.3	P527 A528 I529 V533 L534 D535	P527-Q531 PolarHBondContact O-N 3.21Å; A528-Q531 PolarHBondContact O-N 3.17Å; I529-Q531 VanDerWaalsContact C-N 3.31Å; I529-Q531 PolarHBondContact O-N 3.16Å; Q531-V533 VanDerWaalsContact C-N 3.35Å; Q531-V533 PolarHBondContact O-N 3.17Å; Q531-L534 PolarHBondContact O-N 3.07Å; Q531-D535 PolarHBondContact O-N 3.01Å
532	Y	94.4	Very high	90.9	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.02	14%	0.138	C	C	.	.	H	α-helix	trans	-61.8	-42.2	176.9	-175.5	-99.1	0	0	0	112.3	S296 V297 V481 A528 I529 E530 D535 L536 I615 R645 L647	S296-Y532 WeakPolarHBondContact OG-CD2 3.46Å; V297-Y532 HydrophobicContact CG1-CD2 4.22Å; V297-Y532 HydrophobicContact CG1-CE2 3.81Å; V481-Y532 HydrophobicContact CG1-CD2 4.25Å; V481-Y532 HydrophobicContact CG1-CE2 3.74Å; A528-Y532 WeakPolarHBondContact O-CB 3.35Å; A528-Y532 PolarHBondContact O-N 3.25Å; I529-Y532 WeakPolarHBondContact O-CB 3.17Å; I529-Y532 PolarHBondContact O-N 3.43Å; I529-Y532 VanDerWaalsContact O-N 3.13Å; E530-Y532 PolarHBondContact O-N 3.46Å; Y532-D535 PolarHBondContact O-N 3.26Å; Y532-L536 HydrophobicContact CD1-CD1 3.72Å; Y532-L536 HydrophobicContact CD1-CG 4.36Å; Y532-L536 HydrophobicContact CE1-CD1 3.22Å; Y532-L536 HydrophobicContact CE1-CG 3.99Å; Y532-L536 WeakPolarHBondContact O-CG 3.46Å; Y532-L536 PolarHBondContact O-N 3.41Å; Y532-I615 HydrophobicContact CE1-CD1 4.19Å; Y532-I615 HydrophobicContact CE1-CG2 4.27Å; Y532-R645 WeakPolarHBondContact OH-CD 3.18Å; Y532-R645 PolarHBondContact OH-NH1 2.94Å; Y532-L647 HydrophobicContact CD1-CD1 3.71Å; Y532-L647 HydrophobicContact CD1-CD2 3.81Å; Y532-L647 HydrophobicContact CD1-CG 4.43Å; Y532-L647 HydrophobicContact CE1-CD1 4.22Å; Y532-L647 HydrophobicContact CE1-CD2 3.57Å; Y532-L647 HydrophobicContact CE2-CD2 4.45Å; Y532-L647 HydrophobicContact CG-CD1 4.3Å; Y532-L647 HydrophobicContact CG-CD2 4.33Å
533	V	94.9	Very high	91	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-42.5	177.3	168.9	0	0	0	0	111.1	I529 E530 Q531 L536 I537 F543 L545 L556 L559 L560	I529-V533 HydrophobicContact CG2-CG2 4.27Å; I529-V533 WeakPolarHBondContact O-CG2 3.47Å; I529-V533 PolarHBondContact O-N 3.34Å; E530-V533 PolarHBondContact O-N 2.91Å; Q531-V533 VanDerWaalsContact C-N 3.35Å; Q531-V533 PolarHBondContact O-N 3.17Å; V533-L536 PolarHBondContact O-N 3.45Å; V533-I537 HydrophobicContact CG1-CD1 3.69Å; V533-I537 HydrophobicContact CG1-CG1 4.44Å; V533-I537 WeakPolarHBondContact O-CD1 3.44Å; V533-I537 VanDerWaalsContact O-CG1 3.23Å; V533-I537 WeakPolarHBondContact O-CG1 3.47Å; V533-I537 PolarHBondContact O-N 3.38Å; V533-F543 HydrophobicContact CG1-CZ 4.31Å; V533-L545 HydrophobicContact CG2-CD1 4.35Å; V533-L545 HydrophobicContact CG2-CD2 3.75Å; V533-L556 HydrophobicContact CG2-CD2 4.25Å; V533-L559 HydrophobicContact CG1-CD2 4.31Å; V533-L560 HydrophobicContact CG1-CD2 4.28Å
534	L	92.5	Very high	91.1	Very high	50 Å²	50	23 Å²	23	26%	0.262	12%	0.122	S	C	.	.	H	α-helix	trans	-60.4	-45.9	175.2	-71.3	174.9	0	0	0	112.1	E530 Q531 L536 I537 E538 L559 K563	E530-L534 VanDerWaalsContact O-CG 3.31Å; E530-L534 WeakPolarHBondContact O-CG 3.4Å; E530-L534 PolarHBondContact O-N 3.05Å; Q531-L534 PolarHBondContact O-N 3.07Å; L534-L536 VanDerWaalsContact C-N 3.31Å; L534-L536 PolarHBondContact O-N 3.01Å; L534-I537 PolarHBondContact O-N 2.99Å; L534-E538 PolarHBondContact O-N 3.12Å; L534-E538 VanDerWaalsContact O-N 3.14Å; L534-L559 HydrophobicContact CD1-CD1 4.27Å; L534-L559 HydrophobicContact CD2-CD1 4.14Å; L534-L559 HydrophobicContact CD2-CD2 4.36Å; L534-L559 HydrophobicContact CD2-CG 4.38Å; L534-L559 HydrophobicContact CG-CD1 4.33Å; L534-L559 HydrophobicContact CG-CD2 4.24Å; L534-K563 HydrophobicContact CD2-CD 4.13Å; L534-K563 HydrophobicContact CD2-CG 3.75Å
535	D	89.9	Confident	91.3	Very high	21 Å²	21	22.7 Å²	22.7	11%	0.112	12%	0.121	C	C	.	.	H	α-helix	trans	-60.1	-41.7	177.8	-72.8	-19.2	0	0	0	111.1	P294 S295 S296 Q531 Y532 E538 C539	P294-D535 HydrophobicContact CB-CB 4.04Å; P294-D535 WeakPolarHBondContact CB-OD2 3.29Å; S295-D535 PolarHBondContact N-OD2 2.96Å; S296-D535 VanDerWaalsContact CB-OD2 3.28Å; S296-D535 WeakPolarHBondContact CB-OD2 3.49Å; S296-D535 PolarHBondContact N-OD2 2.93Å; S296-D535 PolarHBondContact OG-OD2 3.49Å; Q531-D535 PolarHBondContact O-N 3.01Å; Y532-D535 PolarHBondContact O-N 3.26Å; D535-E538 PolarHBondContact O-N 3.07Å; D535-C539 PolarHBondContact O-N 3.13Å; D535-C539 PolarHBondContact O-SG 2.92Å
536	L	89.2	Confident	91.5	Very high	16 Å²	16	22.7 Å²	22.7	8%	0.084	12%	0.121	C	C	.	.	H	α-helix	trans	-68.5	-34.9	176.4	-75.5	176.9	0	0	0	114	Y532 V533 L534 E538 C539 F543 L613 I615	Y532-L536 HydrophobicContact CD1-CD1 3.72Å; Y532-L536 HydrophobicContact CD1-CG 4.36Å; Y532-L536 HydrophobicContact CE1-CD1 3.22Å; Y532-L536 HydrophobicContact CE1-CG 3.99Å; Y532-L536 WeakPolarHBondContact O-CG 3.46Å; Y532-L536 PolarHBondContact O-N 3.41Å; V533-L536 PolarHBondContact O-N 3.45Å; L534-L536 VanDerWaalsContact C-N 3.31Å; L534-L536 PolarHBondContact O-N 3.01Å; L536-E538 VanDerWaalsContact C-N 3.28Å; L536-E538 PolarHBondContact O-N 3.25Å; L536-C539 VanDerWaalsContact O-CB 3.3Å; L536-C539 WeakPolarHBondContact O-CB 3.37Å; L536-C539 PolarHBondContact O-N 2.9Å; L536-C539 VanDerWaalsContact O-N 3.13Å; L536-F543 HydrophobicContact CB-CE1 4.18Å; L536-F543 HydrophobicContact CB-CZ 4.44Å; L536-L613 HydrophobicContact CD2-CD2 4.29Å; L536-I615 HydrophobicContact CD1-CD1 3.14Å; L536-I615 HydrophobicContact CD1-CG1 4.38Å
537	I	90.4	Very high	91.6	Very high	16 Å²	16	21.6 Å²	21.6	8%	0.082	12%	0.115	C	C	.	.	H	α-helix	trans	-63.5	-38.6	175.3	-71.3	160.3	0	0	0	109.9	V533 L534 C539 G540 F543 L560 I565 R593	V533-I537 HydrophobicContact CG1-CD1 3.69Å; V533-I537 HydrophobicContact CG1-CG1 4.44Å; V533-I537 WeakPolarHBondContact O-CD1 3.44Å; V533-I537 VanDerWaalsContact O-CG1 3.23Å; V533-I537 WeakPolarHBondContact O-CG1 3.47Å; V533-I537 PolarHBondContact O-N 3.38Å; L534-I537 PolarHBondContact O-N 2.99Å; I537-C539 PolarHBondContact O-N 2.78Å; I537-G540 PolarHBondContact O-N 3.4Å; I537-F543 HydrophobicContact CG1-CE1 4.21Å; I537-F543 HydrophobicContact CG1-CZ 4.27Å; I537-L560 HydrophobicContact CD1-CD2 3.56Å; I537-I565 HydrophobicContact CD1-CG1 4.29Å; I537-I565 HydrophobicContact CG2-CD1 3.57Å; I537-I565 HydrophobicContact CG2-CG1 3.98Å; I537-R593 VanDerWaalsContact O-CZ 3.24Å; I537-R593 PolarHBondContact O-NH1 3.2Å; I537-R593 PolarHBondContact O-NH2 3.16Å
538	E	84.6	Confident	91.6	Very high	83 Å²	83	21.9 Å²	21.9	39%	0.388	11%	0.114	S	C	.	.	H	α-helix	trans	-60.2	-29.8	174.6	-69.4	-159.4	-153.7	0	0	112.9	F371 R379 L534 D535 L536 G540	F371-E538 HydrophobicContact CE1-CB 4.42Å; F371-E538 WeakPolarHBondContact CE1-OE2 3.46Å; F371-E538 HydrophobicContact CZ-CB 4Å; F371-E538 HydrophobicContact CZ-CG 4.46Å; R379-E538 IonicContact NH2-OE2 3.43Å; L534-E538 PolarHBondContact O-N 3.12Å; L534-E538 VanDerWaalsContact O-N 3.14Å; D535-E538 PolarHBondContact O-N 3.07Å; L536-E538 VanDerWaalsContact C-N 3.28Å; L536-E538 PolarHBondContact O-N 3.25Å; E538-G540 VanDerWaalsContact C-N 3.29Å; E538-G540 PolarHBondContact O-N 3.47Å
539	C	79.8	Confident	91.7	Very high	10 Å²	10	23.3 Å²	23.3	7%	0.068	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.3	-178.7	-60	0	0	0	0	115	T399 D535 L536 I537	T399-C539 PolarHBondContact OG1-O 3.4Å; D535-C539 PolarHBondContact O-N 3.13Å; D535-C539 PolarHBondContact O-SG 2.92Å; L536-C539 VanDerWaalsContact O-CB 3.3Å; L536-C539 WeakPolarHBondContact O-CB 3.37Å; L536-C539 PolarHBondContact O-N 2.9Å; L536-C539 VanDerWaalsContact O-N 3.13Å; I537-C539 PolarHBondContact O-N 2.78Å
540	G	79.9	Confident	91.6	Very high	30 Å²	30	26.1 Å²	26.1	31%	0.309	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	-6.7	172	0	0	0	0	0	117.9	I537 E538 R593	I537-G540 PolarHBondContact O-N 3.4Å; E538-G540 VanDerWaalsContact C-N 3.29Å; E538-G540 PolarHBondContact O-N 3.47Å; G540-R593 VanDerWaalsContact N-NH2 3.11Å; G540-R593 PolarHBondContact O-NE 3.24Å
541	H	81.8	Confident	91.5	Very high	59 Å²	59	27.5 Å²	27.5	27%	0.273	15%	0.146	S	C	.	.			trans	-92.3	162.5	-174	-59.5	-65	0	0	0	115	T399 R593	T399-H541 WeakPolarHBondContact CG2-CE1 3.44Å; T399-H541 VanDerWaalsContact CG2-NE2 3.29Å; T399-H541 WeakPolarHBondContact CG2-NE2 3.42Å; H541-R593 PolarHBondContact O-NE 2.5Å; H541-R593 PolarHBondContact O-NH2 2.62Å
542	K	92.5	Very high	91.6	Very high	28 Å²	28	25.1 Å²	25.1	12%	0.122	14%	0.135	C	C	.	.			trans	-84.6	138.7	166.8	-64.8	-167.9	173.1	-176.3	0	110.5	F586 E589 D590 C592 R593 A610 A611	K542-F586 HydrophobicContact CB-CE2 4.45Å; K542-F586 HydrophobicContact CB-CZ 4.2Å; K542-F586 PolarHBondContact NZ-O 2.82Å; K542-E589 WeakPolarHBondContact CE-O 3.45Å; K542-E589 PolarHBondContact NZ-O 2.83Å; K542-D590 IonicContact NZ-OD1 3.33Å; K542-C592 WeakPolarHBondContact CE-O 3.23Å; K542-R593 VanDerWaalsContact CA-O 3.23Å; K542-R593 WeakPolarHBondContact CA-O 3.28Å; K542-A610 HydrophobicContact CD-CB 4.34Å; K542-A611 HydrophobicContact CB-CB 4.49Å
543	F	95	Very high	91.8	Very high	2 Å²	2	25 Å²	25	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	157.1	177.2	62.7	-90.7	0	0	0	112.9	V533 L536 I537 L545 R593 V594 A595 L613 I615	V533-F543 HydrophobicContact CG1-CZ 4.31Å; L536-F543 HydrophobicContact CB-CE1 4.18Å; L536-F543 HydrophobicContact CB-CZ 4.44Å; I537-F543 HydrophobicContact CG1-CE1 4.21Å; I537-F543 HydrophobicContact CG1-CZ 4.27Å; F543-L545 HydrophobicContact CD2-CB 4.28Å; F543-L545 HydrophobicContact CE2-CB 4.1Å; F543-L545 HydrophobicContact CE2-CD2 4.39Å; F543-R593 PolarHBondContact N-O 3.49Å; F543-V594 HydrophobicContact CD1-CG2 4.45Å; F543-V594 HydrophobicContact CD2-CG1 4.32Å; F543-V594 HydrophobicContact CE1-CG2 3.71Å; F543-V594 HydrophobicContact CE2-CB 4.49Å; F543-V594 HydrophobicContact CE2-CG1 3.77Å; F543-V594 HydrophobicContact CE2-CG2 4.05Å; F543-V594 HydrophobicContact CZ-CB 4.39Å; F543-V594 HydrophobicContact CZ-CG1 4.07Å; F543-V594 HydrophobicContact CZ-CG2 3.49Å; F543-V594 VanDerWaalsContact CZ-CG2 3.49Å; F543-A595 PolarHBondContact O-N 2.78Å; F543-A595 VanDerWaalsContact O-N 3.13Å; F543-L613 WeakPolarHBondContact CA-O 3.3Å; F543-L613 HydrophobicContact CB-CB 3.93Å; F543-L613 HydrophobicContact CB-CD2 3.88Å; F543-L613 HydrophobicContact CB-CG 3.89Å; F543-I615 HydrophobicContact CB-CD1 4.38Å; F543-I615 HydrophobicContact CD2-CD1 3.5Å; F543-I615 VanDerWaalsContact CD2-CD1 3.5Å; F543-I615 HydrophobicContact CD2-CG1 4.48Å; F543-I615 HydrophobicContact CE2-CD1 3.9Å; F543-I615 HydrophobicContact CG-CD1 4.05Å
544	L	95.9	Very high	91.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	135	170.7	-48.2	-170.7	0	0	0	109	F546 F586 A595 L597 L608 A611 L613 V614 I615 R632 A633	L544-F546 HydrophobicContact CB-CD2 4.37Å; L544-F546 HydrophobicContact CB-CE2 3.96Å; L544-F546 HydrophobicContact CD1-CE2 4.16Å; L544-F586 HydrophobicContact CD2-CE1 3.57Å; L544-F586 HydrophobicContact CD2-CZ 3.63Å; L544-A595 HydrophobicContact CD2-CB 3.71Å; L544-L597 HydrophobicContact CB-CD1 4.25Å; L544-L597 HydrophobicContact CD1-CD1 4.36Å; L544-L597 HydrophobicContact CD2-CD1 4.47Å; L544-L608 HydrophobicContact CD1-CB 3.92Å; L544-L608 HydrophobicContact CD1-CD1 4.22Å; L544-L608 HydrophobicContact CD2-CB 3.89Å; L544-L608 HydrophobicContact CD2-CD1 4.08Å; L544-A611 HydrophobicContact CD2-CB 3.82Å; L544-A611 HydrophobicContact CG-CB 3.95Å; L544-L613 PolarHBondContact N-O 3.42Å; L544-V614 HydrophobicContact CB-CG1 4.47Å; L544-V614 HydrophobicContact CB-CG2 4.43Å; L544-V614 HydrophobicContact CD1-CG2 4.14Å; L544-V614 HydrophobicContact CG-CG2 4.4Å; L544-I615 PolarHBondContact O-N 3.32Å; L544-R632 HydrophobicContact CD1-CB 4.31Å; L544-A633 HydrophobicContact CD1-CB 3.92Å
545	L	97.1	Very high	92.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	107.2	179.3	-176	58.6	0	0	0	109.2	V533 F543 L556 V594 A595 L596 L597 I615 A617	V533-L545 HydrophobicContact CG2-CD1 4.35Å; V533-L545 HydrophobicContact CG2-CD2 3.75Å; F543-L545 HydrophobicContact CD2-CB 4.28Å; F543-L545 HydrophobicContact CE2-CB 4.1Å; F543-L545 HydrophobicContact CE2-CD2 4.39Å; L545-L556 HydrophobicContact CD2-CD1 3.85Å; L545-L556 HydrophobicContact CD2-CD2 4.23Å; L545-L556 HydrophobicContact CD2-CG 4.49Å; L545-L556 HydrophobicContact CG-CD1 4.32Å; L545-V594 HydrophobicContact CB-CG1 4.16Å; L545-A595 PolarHBondContact N-O 3.2Å; L545-L596 HydrophobicContact CB-CD1 4.35Å; L545-L596 HydrophobicContact CD2-CD1 3.99Å; L545-L596 HydrophobicContact CG-CD1 4.06Å; L545-L596 CarbonylContact O-C 3.56Å; L545-L596 WeakPolarHBondContact O-CA 3.38Å; L545-L597 PolarHBondContact O-N 2.94Å; L545-I615 WeakPolarHBondContact CA-O 3.17Å; L545-I615 HydrophobicContact CD1-CB 3.93Å; L545-I615 HydrophobicContact CD1-CG2 3.77Å; L545-A617 HydrophobicContact CD1-CB 4.06Å
546	F	96.8	Very high	92.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.6	179.8	-74.8	-83.2	0	0	0	111.4	L544 L597 I599 A602 V614 I615 F616 A617 A629 R632	L544-F546 HydrophobicContact CB-CD2 4.37Å; L544-F546 HydrophobicContact CB-CE2 3.96Å; L544-F546 HydrophobicContact CD1-CE2 4.16Å; F546-L597 VanDerWaalsContact CA-O 3.26Å; F546-L597 WeakPolarHBondContact CA-O 3.29Å; F546-L597 HydrophobicContact CD1-CB 3.54Å; F546-L597 HydrophobicContact CD1-CD1 4.3Å; F546-L597 HydrophobicContact CE1-CB 3.49Å; F546-L597 VanDerWaalsContact CE1-CB 3.49Å; F546-L597 HydrophobicContact CE1-CD1 3.61Å; F546-L597 HydrophobicContact CE1-CG 4.2Å; F546-L597 HydrophobicContact CE2-CD1 3.92Å; F546-L597 HydrophobicContact CG-CB 4.25Å; F546-L597 HydrophobicContact CZ-CB 4.17Å; F546-L597 HydrophobicContact CZ-CD1 3.39Å; F546-L597 HydrophobicContact CZ-CG 4.43Å; F546-I599 HydrophobicContact CB-CG1 3.81Å; F546-I599 HydrophobicContact CD1-CG1 4.32Å; F546-I599 HydrophobicContact CG-CG1 4.49Å; F546-A602 HydrophobicContact CE1-CB 4.41Å; F546-V614 HydrophobicContact CD2-CG1 3.66Å; F546-V614 HydrophobicContact CE2-CG1 3.66Å; F546-I615 PolarHBondContact N-O 2.83Å; F546-F616 HydrophobicContact CB-CD1 3.66Å; F546-F616 HydrophobicContact CB-CE1 3.84Å; F546-F616 HydrophobicContact CB-CG 4.36Å; F546-F616 HydrophobicContact CD2-CE1 4.17Å; F546-F616 HydrophobicContact CD2-CZ 4.24Å; F546-F616 HydrophobicContact CG-CD1 4.31Å; F546-F616 AromaticContact CG-CE1 4Å; F546-F616 HydrophobicContact CG-CE1 4Å; F546-A617 WeakPolarHBondContact O-CB 3.29Å; F546-A617 PolarHBondContact O-N 3.22Å; F546-A629 HydrophobicContact CD1-CB 4.15Å; F546-A629 HydrophobicContact CE1-CB 3.78Å; F546-A629 HydrophobicContact CE2-CB 4.26Å; F546-A629 HydrophobicContact CZ-CB 3.83Å; F546-A629 WeakPolarHBondContact CZ-O 3.35Å; F546-R632 HydrophobicContact CZ-CG 4.16Å
547	A	96.6	Very high	92.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	161.3	169.4	0	0	0	0	0	109.8	V552 L553 L597 S598 I599 A617 E618	A547-V552 HydrophobicContact CB-CB 4.38Å; A547-V552 HydrophobicContact CB-CG1 3.87Å; A547-L553 HydrophobicContact CB-CD2 3.77Å; A547-L553 HydrophobicContact CB-CG 4.01Å; A547-L597 PolarHBondContact N-O 2.98Å; A547-S598 CarbonylContact O-C 3.59Å; A547-S598 VanDerWaalsContact O-CA 3.31Å; A547-S598 WeakPolarHBondContact O-CA 3.41Å; A547-I599 PolarHBondContact O-N 3.39Å; A547-A617 HydrophobicContact CB-CB 4.31Å; A547-E618 HydrophobicContact CB-CG 4.5Å
548	H	94.8	Very high	93.1	Very high	38 Å²	38	32.5 Å²	32.5	18%	0.176	17%	0.172	C	C	.	.	S	Bend	trans	-97.7	-57.3	178.8	-174.8	67.9	0	0	0	111.1	F518 I599 E618 F620	F518-H548 HydrophobicContact CE1-CB 4.06Å; F518-H548 AromaticContact CE1-CD2 3.52Å; F518-H548 AromaticContact CE1-CG 3.9Å; F518-H548 HydrophobicContact CZ-CB 4.06Å; H548-I599 HydrophobicContact CB-CD1 4.24Å; H548-E618 WeakPolarHBondContact CA-OE2 3.35Å; H548-E618 PolarHBondContact N-OE2 3.31Å; H548-F620 AromaticContact CE1-CE2 3.4Å; H548-F620 VanDerWaalsContact CE1-CE2 3.4Å; H548-F620 WeakPolarHBondContact CE1-CE2 3.26Å; H548-F620 AromaticContact ND1-CD2 3.74Å; H548-F620 AromaticContact ND1-CE2 3.52Å
549	H	94.8	Very high	93.7	Very high	30 Å²	30	29.2 Å²	29.2	14%	0.139	16%	0.157	C	C	.	.	S	Bend	trans	-76.8	139.7	-172.5	-60.7	100.8	0	0	0	111.6	F518 H519 D551 V552 L553 E618	F518-H549 AromaticContact CD1-CE1 3.27Å; F518-H549 WeakPolarHBondContact CD1-CE1 3.11Å; F518-H549 AromaticContact CD1-NE2 3.74Å; F518-H549 AromaticContact CE1-CE1 3.35Å; F518-H549 WeakPolarHBondContact CE1-CE1 3.36Å; F518-H549 AromaticContact CE1-NE2 3.99Å; F518-H549 AromaticContact CG-CE1 3.94Å; H519-H549 VanDerWaalsContact CA-CE1 3.45Å; H519-H549 WeakPolarHBondContact CA-CE1 3.37Å; H519-H549 WeakPolarHBondContact CA-NE2 3.4Å; H519-H549 AromaticContact ND1-CD2 3.35Å; H519-H549 PolarHBondContact ND1-CD2 3.41Å; H519-H549 AromaticContact ND1-CG 3.89Å; H519-H549 AromaticContact ND1-NE2 3.68Å; H549-D551 PolarHBondContact O-N 3.34Å; H549-V552 HydrophobicContact CB-CB 4.48Å; H549-V552 HydrophobicContact CB-CG2 4.14Å; H549-V552 PolarHBondContact O-N 2.96Å; H549-L553 PolarHBondContact O-N 3.38Å; H549-L553 VanDerWaalsContact O-N 3.1Å; H549-E618 IonicContact CE1-OE1 2.84Å; H549-E618 IonicContact CG-OE1 2.71Å; H549-E618 PolarHBondContact N-OE2 3.05Å; H549-E618 IonicContact ND1-OE1 3.12Å; H549-E618 PolarHBondContact ND1-OE1 3.35Å; H549-E618 IonicContact ND1-OE2 2.84Å
550	T	93.4	Very high	94.5	Very high	60 Å²	60	28.8 Å²	28.8	37%	0.368	15%	0.154	S	C	.	.	H	α-helix	trans	-59.5	-36.9	177.1	47.7	0	0	0	0	112.2	V552 L553 D554	T550-V552 VanDerWaalsContact C-N 3.28Å; T550-V552 PolarHBondContact O-N 3.4Å; T550-L553 CarbonylContact O-C 3.55Å; T550-L553 WeakPolarHBondContact O-CB 3.35Å; T550-L553 PolarHBondContact O-N 2.99Å; T550-D554 WeakPolarHBondContact O-CB 3.4Å; T550-D554 PolarHBondContact O-N 3.14Å
551	D	93.8	Very high	95.3	Very high	78 Å²	78	30.4 Å²	30.4	42%	0.417	16%	0.161	S	C	.	.	H	α-helix	trans	-66.1	-35.7	-178.8	-54.4	-19.1	0	0	0	111.4	H519 H549 D554 S555	H519-D551 IonicContact CE1-OD2 3Å; H519-D551 PolarHBondContact CE1-OD2 3.09Å; H549-D551 PolarHBondContact O-N 3.34Å; D551-D554 PolarHBondContact O-N 3.39Å; D551-S555 PolarHBondContact O-N 3.37Å
552	V	96.2	Very high	96	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-68.9	-44.5	174.9	177.4	0	0	0	0	110.3	L526 A547 H549 T550 D554 S555 L556 E618	L526-V552 HydrophobicContact CD1-CG2 4.45Å; L526-V552 HydrophobicContact CD2-CB 4.34Å; L526-V552 HydrophobicContact CD2-CG1 3.94Å; L526-V552 HydrophobicContact CD2-CG2 4.42Å; L526-V552 HydrophobicContact CG-CG2 4.27Å; A547-V552 HydrophobicContact CB-CB 4.38Å; A547-V552 HydrophobicContact CB-CG1 3.87Å; H549-V552 HydrophobicContact CB-CB 4.48Å; H549-V552 HydrophobicContact CB-CG2 4.14Å; H549-V552 PolarHBondContact O-N 2.96Å; T550-V552 VanDerWaalsContact C-N 3.28Å; T550-V552 PolarHBondContact O-N 3.4Å; V552-D554 PolarHBondContact O-N 2.93Å; V552-S555 PolarHBondContact O-N 3.06Å; V552-L556 HydrophobicContact CG1-CD1 4.05Å; V552-L556 VanDerWaalsContact O-CG 3.28Å; V552-L556 WeakPolarHBondContact O-CG 3.47Å; V552-L556 PolarHBondContact O-N 3.04Å; V552-L556 VanDerWaalsContact O-N 3.13Å; V552-E618 HydrophobicContact CG1-CG 4.33Å
553	L	96.9	Very high	96	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-45.3	173.8	-68.3	166.8	0	0	0	111.4	A547 H549 T550 S555 L556 D557 D571 L596	A547-L553 HydrophobicContact CB-CD2 3.77Å; A547-L553 HydrophobicContact CB-CG 4.01Å; H549-L553 PolarHBondContact O-N 3.38Å; H549-L553 VanDerWaalsContact O-N 3.1Å; T550-L553 CarbonylContact O-C 3.55Å; T550-L553 WeakPolarHBondContact O-CB 3.35Å; T550-L553 PolarHBondContact O-N 2.99Å; L553-S555 PolarHBondContact O-N 3.47Å; L553-L556 PolarHBondContact O-N 2.95Å; L553-D557 WeakPolarHBondContact O-CB 3.29Å; L553-D557 PolarHBondContact O-N 3.34Å; L553-D571 HydrophobicContact CD1-CB 4.3Å; L553-L596 HydrophobicContact CD2-CD1 3.69Å; L553-L596 HydrophobicContact CD2-CD2 4.27Å; L553-L596 HydrophobicContact CD2-CG 3.67Å; L553-L596 WeakPolarHBondContact O-CD2 3.37Å
554	D	97.2	Very high	95.9	Very high	61 Å²	61	42.9 Å²	42.9	33%	0.326	23%	0.23	S	C	.	.	H	α-helix	trans	-65.6	-38.7	-178.2	-71.3	-20.7	0	0	0	112.1	T550 D551 V552 K558 R569	T550-D554 WeakPolarHBondContact O-CB 3.4Å; T550-D554 PolarHBondContact O-N 3.14Å; D551-D554 PolarHBondContact O-N 3.39Å; V552-D554 PolarHBondContact O-N 2.93Å; D554-K558 WeakPolarHBondContact O-CB 3.42Å; D554-K558 PolarHBondContact O-N 2.99Å; D554-R569 IonicContact OD1-CZ 3.85Å; D554-R569 IonicContact OD1-NH1 3.03Å; D554-R569 PolarHBondContact OD1-NH1 3.49Å; D554-R569 IonicContact OD1-NH2 2.9Å; D554-R569 PolarHBondContact OD1-NH2 2.71Å
555	S	96.5	Very high	95.8	Very high	32 Å²	32	44.6 Å²	44.6	22%	0.224	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-42.6	174.4	-155.2	0	0	0	0	111.9	E530 D551 V552 L553 K558 L559	E530-S555 PolarHBondContact OE1-OG 3.29Å; D551-S555 PolarHBondContact O-N 3.37Å; V552-S555 PolarHBondContact O-N 3.06Å; L553-S555 PolarHBondContact O-N 3.47Å; S555-K558 PolarHBondContact O-N 2.9Å; S555-L559 PolarHBondContact O-N 3.25Å
556	L	97.3	Very high	95.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-40.1	178.5	-69.3	169.3	0	0	0	112.1	I529 E530 V533 L545 V552 L553 L559 L560 L596	I529-L556 HydrophobicContact CG2-CD2 3.96Å; E530-L556 HydrophobicContact CG-CD2 4.41Å; V533-L556 HydrophobicContact CG2-CD2 4.25Å; L545-L556 HydrophobicContact CD2-CD1 3.85Å; L545-L556 HydrophobicContact CD2-CD2 4.23Å; L545-L556 HydrophobicContact CD2-CG 4.49Å; L545-L556 HydrophobicContact CG-CD1 4.32Å; V552-L556 HydrophobicContact CG1-CD1 4.05Å; V552-L556 VanDerWaalsContact O-CG 3.28Å; V552-L556 WeakPolarHBondContact O-CG 3.47Å; V552-L556 PolarHBondContact O-N 3.04Å; V552-L556 VanDerWaalsContact O-N 3.13Å; L553-L556 PolarHBondContact O-N 2.95Å; L556-L559 PolarHBondContact O-N 3.32Å; L556-L560 VanDerWaalsContact O-CG 3.24Å; L556-L560 WeakPolarHBondContact O-CG 3.36Å; L556-L560 PolarHBondContact O-N 2.93Å; L556-L596 HydrophobicContact CB-CD1 4.01Å; L556-L596 HydrophobicContact CB-CD2 4.19Å; L556-L596 HydrophobicContact CD1-CD1 3.88Å
557	D	97.5	Very high	95.7	Very high	40 Å²	40	51.7 Å²	51.7	21%	0.214	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-49.3	173.6	-172.1	-54.7	0	0	0	110.9	L553 L559 L560 S561 F567 R569 L596	L553-D557 WeakPolarHBondContact O-CB 3.29Å; L553-D557 PolarHBondContact O-N 3.34Å; D557-L559 PolarHBondContact O-N 3.43Å; D557-L560 PolarHBondContact O-N 2.93Å; D557-S561 WeakPolarHBondContact O-CB 3.42Å; D557-S561 PolarHBondContact O-N 2.6Å; D557-S561 PolarHBondContact O-OG 3.44Å; D557-F567 HydrophobicContact CB-CE2 4.26Å; D557-F567 HydrophobicContact CB-CZ 4.2Å; D557-F567 VanDerWaalsContact CG-CZ 3.49Å; D557-F567 WeakPolarHBondContact OD1-CZ 3.35Å; D557-R569 WeakPolarHBondContact OD2-CD 3.47Å; D557-R569 IonicContact OD2-NH1 3.65Å; D557-R569 PolarHBondContact OD2-NH1 3.35Å; D557-L596 HydrophobicContact CB-CD2 4.09Å
558	K	97.6	Very high	95.6	Very high	129 Å²	129	52.1 Å²	52.1	56%	0.561	27%	0.269	S	S	*	.	H	α-helix	trans	-58.3	-48.1	175.9	-177.2	-177.9	172.2	-177.2	0	111.8	D554 S555 L560 S561 E562	D554-K558 WeakPolarHBondContact O-CB 3.42Å; D554-K558 PolarHBondContact O-N 2.99Å; S555-K558 PolarHBondContact O-N 2.9Å; K558-L560 PolarHBondContact O-N 3.29Å; K558-S561 PolarHBondContact O-N 3.21Å; K558-E562 WeakPolarHBondContact CE-OE1 3.44Å; K558-E562 HydrophobicContact CG-CG 4.44Å; K558-E562 WeakPolarHBondContact O-CB 3.44Å; K558-E562 WeakPolarHBondContact O-CG 3.4Å; K558-E562 PolarHBondContact O-N 3.38Å
559	L	96.3	Very high	95.7	Very high	14 Å²	14	52.5 Å²	52.5	7%	0.073	27%	0.268	C	S	.	.	H	α-helix	trans	-57.1	-49	178.2	177.2	74.3	0	0	0	111.8	E530 V533 L534 S555 L556 D557 S561 E562 K563	E530-L559 HydrophobicContact CB-CD2 3.8Å; E530-L559 HydrophobicContact CG-CD2 3.91Å; V533-L559 HydrophobicContact CG1-CD2 4.31Å; L534-L559 HydrophobicContact CD1-CD1 4.27Å; L534-L559 HydrophobicContact CD2-CD1 4.14Å; L534-L559 HydrophobicContact CD2-CD2 4.36Å; L534-L559 HydrophobicContact CD2-CG 4.38Å; L534-L559 HydrophobicContact CG-CD1 4.33Å; L534-L559 HydrophobicContact CG-CD2 4.24Å; S555-L559 PolarHBondContact O-N 3.25Å; L556-L559 PolarHBondContact O-N 3.32Å; D557-L559 PolarHBondContact O-N 3.43Å; L559-S561 VanDerWaalsContact C-N 3.33Å; L559-S561 PolarHBondContact O-N 3.44Å; L559-E562 PolarHBondContact O-N 3.33Å; L559-K563 WeakPolarHBondContact O-CG 3.48Å; L559-K563 PolarHBondContact O-N 3.28Å; L559-K563 VanDerWaalsContact O-N 3.07Å
560	L	96.6	Very high	95.6	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-40.7	-178.4	-68.1	170.5	0	0	0	111.2	V533 I537 L556 D557 K558 K563 S564 I565 F567 V594	V533-L560 HydrophobicContact CG1-CD2 4.28Å; I537-L560 HydrophobicContact CD1-CD2 3.56Å; L556-L560 VanDerWaalsContact O-CG 3.24Å; L556-L560 WeakPolarHBondContact O-CG 3.36Å; L556-L560 PolarHBondContact O-N 2.93Å; D557-L560 PolarHBondContact O-N 2.93Å; K558-L560 PolarHBondContact O-N 3.29Å; L560-K563 PolarHBondContact O-N 3.06Å; L560-S564 PolarHBondContact O-N 2.83Å; L560-I565 HydrophobicContact CD2-CB 4.25Å; L560-I565 HydrophobicContact CD2-CG2 4.17Å; L560-I565 PolarHBondContact O-N 3.05Å; L560-F567 HydrophobicContact CB-CD1 3.49Å; L560-F567 VanDerWaalsContact CB-CD1 3.49Å; L560-F567 HydrophobicContact CB-CE1 3.58Å; L560-F567 HydrophobicContact CB-CG 4.09Å; L560-F567 HydrophobicContact CB-CZ 4.23Å; L560-F567 HydrophobicContact CD1-CB 3.98Å; L560-F567 HydrophobicContact CD1-CD1 4Å; L560-F567 HydrophobicContact CD1-CD2 3.83Å; L560-F567 HydrophobicContact CD1-CE1 4.47Å; L560-F567 HydrophobicContact CD1-CE2 4.32Å; L560-F567 HydrophobicContact CD1-CG 3.67Å; L560-F567 HydrophobicContact CG-CD1 4.35Å; L560-F567 HydrophobicContact CG-CG 4.49Å; L560-V594 HydrophobicContact CD1-CB 4.24Å; L560-V594 HydrophobicContact CD1-CG1 4Å; L560-V594 HydrophobicContact CD2-CG2 4.05Å
561	S	96.5	Very high	95.6	Very high	64 Å²	64	48.6 Å²	48.6	45%	0.448	25%	0.247	S	C	.	.	H	α-helix	trans	-63	-47.1	175.5	-65.3	0	0	0	0	112.2	D557 K558 L559 K563 S564	D557-S561 WeakPolarHBondContact O-CB 3.42Å; D557-S561 PolarHBondContact O-N 2.6Å; D557-S561 PolarHBondContact O-OG 3.44Å; K558-S561 PolarHBondContact O-N 3.21Å; L559-S561 VanDerWaalsContact C-N 3.33Å; L559-S561 PolarHBondContact O-N 3.44Å; S561-K563 VanDerWaalsContact C-N 3.27Å; S561-K563 PolarHBondContact O-N 3.49Å; S561-S564 PolarHBondContact O-N 2.57Å
562	E	96.1	Very high	95.3	Very high	124 Å²	124	48 Å²	48	58%	0.579	26%	0.258	S	S	*	.	H	α-helix	trans	-61.2	-35	177.3	-75.8	178.6	-178.8	0	0	112.6	K558 L559 S564	K558-E562 WeakPolarHBondContact CE-OE1 3.44Å; K558-E562 HydrophobicContact CG-CG 4.44Å; K558-E562 WeakPolarHBondContact O-CB 3.44Å; K558-E562 WeakPolarHBondContact O-CG 3.4Å; K558-E562 PolarHBondContact O-N 3.38Å; L559-E562 PolarHBondContact O-N 3.33Å; E562-S564 PolarHBondContact O-N 3.19Å
563	K	92.8	Very high	95	Very high	116 Å²	116	55.8 Å²	55.8	50%	0.504	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	2.7	176.2	-63.5	-62.1	-178.7	-173.4	0	113.9	L534 L559 L560 S561 I565	L534-K563 HydrophobicContact CD2-CD 4.13Å; L534-K563 HydrophobicContact CD2-CG 3.75Å; L559-K563 WeakPolarHBondContact O-CG 3.48Å; L559-K563 PolarHBondContact O-N 3.28Å; L559-K563 VanDerWaalsContact O-N 3.07Å; L560-K563 PolarHBondContact O-N 3.06Å; S561-K563 VanDerWaalsContact C-N 3.27Å; S561-K563 PolarHBondContact O-N 3.49Å; K563-I565 HydrophobicContact CB-CG1 3.81Å; K563-I565 PolarHBondContact O-N 3.26Å
564	S	93.8	Very high	94.5	Very high	110 Å²	110	56.5 Å²	56.5	77%	0.769	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	35.9	-177	-56.3	0	0	0	0	112.7	L560 S561 E562	L560-S564 PolarHBondContact O-N 2.83Å; S561-S564 PolarHBondContact O-N 2.57Å; E562-S564 PolarHBondContact O-N 3.19Å
565	I	92.9	Very high	94	Very high	37 Å²	37	57.1 Å²	57.1	19%	0.19	30%	0.295	C	S	.	.			trans	-90.2	129.5	175.4	-58.3	-60.3	0	0	0	107.6	I537 L560 K563 F567 V594	I537-I565 HydrophobicContact CD1-CG1 4.29Å; I537-I565 HydrophobicContact CG2-CD1 3.57Å; I537-I565 HydrophobicContact CG2-CG1 3.98Å; L560-I565 HydrophobicContact CD2-CB 4.25Å; L560-I565 HydrophobicContact CD2-CG2 4.17Å; L560-I565 PolarHBondContact O-N 3.05Å; K563-I565 HydrophobicContact CB-CG1 3.81Å; K563-I565 PolarHBondContact O-N 3.26Å; I565-F567 WeakPolarHBondContact O-CD1 3.16Å; I565-V594 HydrophobicContact CG2-CG2 4.36Å
566	R	95	Very high	93.4	Very high	107 Å²	107	59.7 Å²	59.7	40%	0.404	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.7	176.5	-166.9	176.8	-172.3	-178.3	-4.2	109.6	E589 D591 C592 R593	R566-E589 IonicContact CZ-OE1 3.38Å; R566-E589 IonicContact CZ-OE2 3.55Å; R566-E589 IonicContact NE-OE2 3.75Å; R566-E589 PolarHBondContact NE-OE2 3.11Å; R566-E589 IonicContact NH1-OE1 3.64Å; R566-E589 IonicContact NH1-OE2 2.7Å; R566-E589 PolarHBondContact NH1-OE2 3.12Å; R566-E589 VanDerWaalsContact NH1-OE2 3.11Å; R566-E589 VanDerWaalsContact NH2-CD 3.26Å; R566-E589 IonicContact NH2-OE1 2.75Å; R566-E589 PolarHBondContact NH2-OE1 3.12Å; R566-E589 VanDerWaalsContact NH2-OE1 3.16Å; R566-E589 IonicContact NH2-OE2 3.73Å; R566-E589 PolarHBondContact NH2-OE2 2.91Å; R566-D591 WeakPolarHBondContact CD-OD2 3.47Å; R566-D591 IonicContact CZ-OD2 3.85Å; R566-D591 IonicContact NE-OD2 2.62Å; R566-D591 IonicContact NH1-OD1 3.16Å; R566-D591 PolarHBondContact NH1-OD1 3.38Å; R566-D591 IonicContact NH1-OD2 3.86Å; R566-D591 PolarHBondContact NH1-OD2 3.46Å; R566-C592 HydrophobicContact CG-CB 4.36Å; R566-C592 WeakPolarHBondContact O-CA 3.47Å; R566-R593 PolarHBondContact O-N 3.02Å
567	F	97.1	Very high	92.7	Very high	41 Å²	41	66.4 Å²	66.4	18%	0.18	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	167.1	-179.4	70.1	-78.4	0	0	0	110.9	D557 L560 I565 R569 V594 L596	D557-F567 HydrophobicContact CB-CE2 4.26Å; D557-F567 HydrophobicContact CB-CZ 4.2Å; D557-F567 VanDerWaalsContact CG-CZ 3.49Å; D557-F567 WeakPolarHBondContact OD1-CZ 3.35Å; L560-F567 HydrophobicContact CB-CD1 3.49Å; L560-F567 VanDerWaalsContact CB-CD1 3.49Å; L560-F567 HydrophobicContact CB-CE1 3.58Å; L560-F567 HydrophobicContact CB-CG 4.09Å; L560-F567 HydrophobicContact CB-CZ 4.23Å; L560-F567 HydrophobicContact CD1-CB 3.98Å; L560-F567 HydrophobicContact CD1-CD1 4Å; L560-F567 HydrophobicContact CD1-CD2 3.83Å; L560-F567 HydrophobicContact CD1-CE1 4.47Å; L560-F567 HydrophobicContact CD1-CE2 4.32Å; L560-F567 HydrophobicContact CD1-CG 3.67Å; L560-F567 HydrophobicContact CG-CD1 4.35Å; L560-F567 HydrophobicContact CG-CG 4.49Å; I565-F567 WeakPolarHBondContact O-CD1 3.16Å; F567-R569 HydrophobicContact CE2-CB 4.35Å; F567-V594 CarbonylContact C-O 3.44Å; F567-V594 WeakPolarHBondContact CA-O 3.31Å; F567-V594 HydrophobicContact CB-CB 3.86Å; F567-V594 VanDerWaalsContact CB-O 3.24Å; F567-V594 WeakPolarHBondContact CB-O 3.35Å; F567-L596 HydrophobicContact CD2-CB 4.35Å; F567-L596 HydrophobicContact CE2-CD2 4.43Å
568	I	95.5	Very high	92.2	Very high	9 Å²	9	69.2 Å²	69.2	5%	0.046	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	154.3	166.3	63	161.9	0	0	0	109.8	I570 V582 I585 F586 V594 A595 L596 L608	I568-I570 HydrophobicContact CD1-CD1 4.41Å; I568-V582 HydrophobicContact CB-CB 4.06Å; I568-V582 HydrophobicContact CD1-CB 4.34Å; I568-V582 HydrophobicContact CD1-CG2 4.31Å; I568-V582 HydrophobicContact CG2-CB 3.95Å; I568-I585 HydrophobicContact CG2-CB 4.34Å; I568-I585 HydrophobicContact CG2-CG2 3.95Å; I568-F586 HydrophobicContact CD1-CB 3.62Å; I568-F586 HydrophobicContact CD1-CG 4.18Å; I568-F586 HydrophobicContact CG1-CB 4.09Å; I568-F586 HydrophobicContact CG1-CD2 4.39Å; I568-F586 HydrophobicContact CG1-CG 4.47Å; I568-F586 HydrophobicContact CG2-CB 4.43Å; I568-V594 PolarHBondContact N-O 3.02Å; I568-A595 HydrophobicContact CD1-CB 3.85Å; I568-A595 HydrophobicContact CG1-CB 3.63Å; I568-L596 WeakPolarHBondContact O-CB 3.36Å; I568-L596 PolarHBondContact O-N 2.75Å; I568-L608 HydrophobicContact CD1-CD2 4.46Å
569	R	95.3	Very high	91.8	Very high	46 Å²	46	65.2 Å²	65.2	17%	0.174	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.7	173.1	178.6	174.9	168.7	161.8	2	110.3	D554 D557 F567 D571 L596	D554-R569 IonicContact OD1-CZ 3.85Å; D554-R569 IonicContact OD1-NH1 3.03Å; D554-R569 PolarHBondContact OD1-NH1 3.49Å; D554-R569 IonicContact OD1-NH2 2.9Å; D554-R569 PolarHBondContact OD1-NH2 2.71Å; D557-R569 WeakPolarHBondContact OD2-CD 3.47Å; D557-R569 IonicContact OD2-NH1 3.65Å; D557-R569 PolarHBondContact OD2-NH1 3.35Å; F567-R569 HydrophobicContact CE2-CB 4.35Å; R569-D571 IonicContact CZ-OD2 3.19Å; R569-D571 VanDerWaalsContact CZ-OD2 3.26Å; R569-D571 IonicContact NE-OD2 3.43Å; R569-D571 PolarHBondContact NE-OD2 3.22Å; R569-D571 IonicContact NH2-OD2 2.7Å; R569-D571 PolarHBondContact NH2-OD2 3.06Å; R569-L596 CarbonylContact C-O 3.56Å; R569-L596 VanDerWaalsContact CA-O 3.24Å; R569-L596 WeakPolarHBondContact CA-O 3.42Å; R569-L596 HydrophobicContact CG-CD2 4.42Å
570	I	93.5	Very high	91.2	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	117.8	171.6	-57.6	173.1	0	0	0	109.2	I568 T574 R579 V582 L596 L597 S598 A602 L606	I568-I570 HydrophobicContact CD1-CD1 4.41Å; I570-T574 HydrophobicContact CG2-CG2 4.49Å; I570-R579 HydrophobicContact CG2-CG 3.89Å; I570-V582 HydrophobicContact CD1-CG2 3.75Å; I570-V582 HydrophobicContact CG1-CG2 3.65Å; I570-L596 PolarHBondContact N-O 2.82Å; I570-L597 HydrophobicContact CB-CD2 3.77Å; I570-L597 HydrophobicContact CD1-CD2 3.88Å; I570-L597 HydrophobicContact CG1-CD2 4.02Å; I570-L597 WeakPolarHBondContact O-CA 3.47Å; I570-S598 PolarHBondContact O-N 2.77Å; I570-A602 HydrophobicContact CG2-CB 4.27Å; I570-L606 HydrophobicContact CD1-CD1 3.6Å; I570-L606 HydrophobicContact CD1-CD2 4.38Å; I570-L606 HydrophobicContact CG2-CD1 4.24Å
571	D	93	Very high	90.9	Very high	9 Å²	9	71.9 Å²	71.9	5%	0.048	38%	0.382	C	S	.	.	S	Bend	trans	-141.1	-171.3	175.8	61.2	17.8	0	0	0	111	L553 R569 R573 T574	L553-D571 HydrophobicContact CD1-CB 4.3Å; R569-D571 IonicContact CZ-OD2 3.19Å; R569-D571 VanDerWaalsContact CZ-OD2 3.26Å; R569-D571 IonicContact NE-OD2 3.43Å; R569-D571 PolarHBondContact NE-OD2 3.22Å; R569-D571 IonicContact NH2-OD2 2.7Å; R569-D571 PolarHBondContact NH2-OD2 3.06Å; D571-R573 PolarHBondContact O-N 3.41Å; D571-R573 VanDerWaalsContact O-N 3.13Å; D571-R573 WeakPolarHBondContact OD1-CB 3.37Å; D571-R573 PolarHBondContact OD1-N 3.28Å; D571-T574 PolarHBondContact N-OG1 3.22Å; D571-T574 VanDerWaalsContact N-OG1 3.16Å; D571-T574 WeakPolarHBondContact O-CB 3.34Å; D571-T574 PolarHBondContact O-N 3.3Å; D571-T574 PolarHBondContact O-OG1 2.96Å; D571-T574 PolarHBondContact OD1-N 3.28Å; D571-T574 PolarHBondContact OD1-OG1 3.1Å
572	G	88.2	Confident	90.6	Very high	64 Å²	64	70.2 Å²	70.2	66%	0.66	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.3	179.6	0	0	0	0	0	114.1	T574	G572-T574 VanDerWaalsContact C-N 3.34Å
573	R	88.7	Confident	90.3	Very high	166 Å²	166	64.9 Å²	64.9	63%	0.626	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.7	179	-54.5	172.4	-176.9	159	1.8	112.3	D571	D571-R573 PolarHBondContact O-N 3.41Å; D571-R573 VanDerWaalsContact O-N 3.13Å; D571-R573 WeakPolarHBondContact OD1-CB 3.37Å; D571-R573 PolarHBondContact OD1-N 3.28Å
574	T	87.9	Confident	90.2	Very high	17 Å²	17	64 Å²	64	10%	0.104	34%	0.343	C	S	.	.	S	Bend	trans	-87.5	114.4	-177.4	-48.4	0	0	0	0	110.7	I570 D571 G572 Q578 R579	I570-T574 HydrophobicContact CG2-CG2 4.49Å; D571-T574 PolarHBondContact N-OG1 3.22Å; D571-T574 VanDerWaalsContact N-OG1 3.16Å; D571-T574 WeakPolarHBondContact O-CB 3.34Å; D571-T574 PolarHBondContact O-N 3.3Å; D571-T574 PolarHBondContact O-OG1 2.96Å; D571-T574 PolarHBondContact OD1-N 3.28Å; D571-T574 PolarHBondContact OD1-OG1 3.1Å; G572-T574 VanDerWaalsContact C-N 3.34Å; T574-Q578 HydrophobicContact CG2-CB 4.09Å; T574-R579 HydrophobicContact CG2-CG 3.85Å; T574-R579 PolarHBondContact O-NE 3.39Å; T574-R579 PolarHBondContact O-NH2 3.2Å
575	N	86.2	Confident	90.2	Very high	73 Å²	73	61.1 Å²	61.1	39%	0.39	32%	0.319	S	S	.	.			trans	-67.7	159.4	179.5	71.5	31.8	0	0	0	112.9	E577 Q578 R579	N575-E577 VanDerWaalsContact C-N 3.32Å; N575-E577 PolarHBondContact O-N 3.43Å; N575-E577 PolarHBondContact OD1-N 3.2Å; N575-Q578 PolarHBondContact ND2-NE2 2.84Å; N575-Q578 PolarHBondContact O-N 3.29Å; N575-Q578 WeakPolarHBondContact OD1-CB 3.38Å; N575-Q578 VanDerWaalsContact OD1-CD 3.31Å; N575-Q578 WeakPolarHBondContact OD1-CG 3.27Å; N575-Q578 PolarHBondContact OD1-N 3.33Å; N575-R579 WeakPolarHBondContact O-CG 3.27Å; N575-R579 PolarHBondContact O-N 3.46Å
576	S	82.8	Confident	90.2	Very high	86 Å²	86	59.4 Å²	59.4	60%	0.601	31%	0.31	S	S	*	.	H	α-helix	trans	-60.2	-37.4	-173.1	-65.1	0	0	0	0	113.7
577	E	83.8	Confident	90.1	Very high	141 Å²	141	57 Å²	57	66%	0.659	30%	0.303	S	S	*	.	H	α-helix	trans	-68.5	-43	179.2	-62.8	72.3	-156.1	0	0	111.3	N575 S580 V581	N575-E577 VanDerWaalsContact C-N 3.32Å; N575-E577 PolarHBondContact O-N 3.43Å; N575-E577 PolarHBondContact OD1-N 3.2Å; E577-S580 PolarHBondContact O-N 3.09Å; E577-V581 PolarHBondContact O-N 3.42Å
578	Q	87	Confident	89.8	Confident	100 Å²	100	62 Å²	62	47%	0.467	33%	0.325	S	S	.	.	H	α-helix	trans	-65.8	-38.2	178	-74.4	168.1	-2.8	0	0	111.5	T574 N575 S580 V581 V582	T574-Q578 HydrophobicContact CG2-CB 4.09Å; N575-Q578 PolarHBondContact ND2-NE2 2.84Å; N575-Q578 PolarHBondContact O-N 3.29Å; N575-Q578 WeakPolarHBondContact OD1-CB 3.38Å; N575-Q578 VanDerWaalsContact OD1-CD 3.31Å; N575-Q578 WeakPolarHBondContact OD1-CG 3.27Å; N575-Q578 PolarHBondContact OD1-N 3.33Å; Q578-S580 VanDerWaalsContact C-N 3.25Å; Q578-S580 PolarHBondContact O-N 3.11Å; Q578-V581 PolarHBondContact O-N 3.15Å; Q578-V582 WeakPolarHBondContact O-CG2 3.24Å; Q578-V582 PolarHBondContact O-N 3.08Å
579	R	88	Confident	89.7	Confident	45 Å²	45	64.5 Å²	64.5	17%	0.17	34%	0.336	C	S	.	.	H	α-helix	trans	-51.2	-46.5	176.2	-72.2	175.9	-168.9	-153.3	-2.9	111.4	I570 T574 N575 V581 V582 C583 A601 L606	I570-R579 HydrophobicContact CG2-CG 3.89Å; T574-R579 HydrophobicContact CG2-CG 3.85Å; T574-R579 PolarHBondContact O-NE 3.39Å; T574-R579 PolarHBondContact O-NH2 3.2Å; N575-R579 WeakPolarHBondContact O-CG 3.27Å; N575-R579 PolarHBondContact O-N 3.46Å; R579-V581 PolarHBondContact O-N 3.49Å; R579-V582 WeakPolarHBondContact O-CG2 3.16Å; R579-C583 WeakPolarHBondContact O-CB 3.36Å; R579-C583 PolarHBondContact O-N 2.81Å; R579-C583 PolarHBondContact O-SG 3.35Å; R579-A601 PolarHBondContact NH1-O 2.82Å; R579-L606 HydrophobicContact CB-CD2 3.99Å
580	S	84.5	Confident	89.4	Confident	68 Å²	68	68.9 Å²	68.9	48%	0.476	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-42.9	178	-172.6	0	0	0	0	112.4	E577 Q578 Q584	E577-S580 PolarHBondContact O-N 3.09Å; Q578-S580 VanDerWaalsContact C-N 3.25Å; Q578-S580 PolarHBondContact O-N 3.11Å; S580-Q584 WeakPolarHBondContact O-CG 3.44Å; S580-Q584 PolarHBondContact O-N 3.05Å; S580-Q584 VanDerWaalsContact O-N 3.09Å
581	V	89.4	Confident	89.2	Confident	86 Å²	86	72.9 Å²	72.9	52%	0.521	38%	0.384	S	S	.	.	H	α-helix	trans	-64	-50.4	179.4	176.9	0	0	0	0	111.2	E577 Q578 R579 C583 Q584 I585	E577-V581 PolarHBondContact O-N 3.42Å; Q578-V581 PolarHBondContact O-N 3.15Å; R579-V581 PolarHBondContact O-N 3.49Å; V581-C583 VanDerWaalsContact C-N 3.34Å; V581-C583 PolarHBondContact O-N 2.79Å; V581-Q584 WeakPolarHBondContact O-CB 3.43Å; V581-Q584 PolarHBondContact O-N 2.78Å; V581-Q584 VanDerWaalsContact O-N 3.12Å; V581-I585 HydrophobicContact CG1-CD1 4.31Å; V581-I585 WeakPolarHBondContact O-CG1 3.44Å; V581-I585 PolarHBondContact O-N 2.95Å; V581-I585 VanDerWaalsContact O-N 3.08Å
582	V	91.9	Very high	89.2	Confident	30 Å²	30	72.5 Å²	72.5	18%	0.182	38%	0.382	C	S	.	.	H	α-helix	trans	-67.6	-35.3	-178.8	-59.3	0	0	0	0	111.7	I568 I570 Q578 R579 Q584 I585 F586	I568-V582 HydrophobicContact CB-CB 4.06Å; I568-V582 HydrophobicContact CD1-CB 4.34Å; I568-V582 HydrophobicContact CD1-CG2 4.31Å; I568-V582 HydrophobicContact CG2-CB 3.95Å; I570-V582 HydrophobicContact CD1-CG2 3.75Å; I570-V582 HydrophobicContact CG1-CG2 3.65Å; Q578-V582 WeakPolarHBondContact O-CG2 3.24Å; Q578-V582 PolarHBondContact O-N 3.08Å; R579-V582 WeakPolarHBondContact O-CG2 3.16Å; V582-Q584 VanDerWaalsContact C-N 3.3Å; V582-Q584 PolarHBondContact O-N 3.49Å; V582-I585 WeakPolarHBondContact O-CB 3.32Å; V582-I585 PolarHBondContact O-N 3.35Å; V582-F586 PolarHBondContact O-N 2.87Å
583	C	89.3	Confident	89.5	Confident	12 Å²	12	71.6 Å²	71.6	8%	0.081	36%	0.359	C	S	.	.	H	α-helix	trans	-59.5	-40.8	171	-74.9	0	0	0	0	112.1	R579 V581 I585 F586 Q587 L608	R579-C583 WeakPolarHBondContact O-CB 3.36Å; R579-C583 PolarHBondContact O-N 2.81Å; R579-C583 PolarHBondContact O-SG 3.35Å; V581-C583 VanDerWaalsContact C-N 3.34Å; V581-C583 PolarHBondContact O-N 2.79Å; C583-I585 VanDerWaalsContact C-N 3.34Å; C583-F586 PolarHBondContact O-N 3.41Å; C583-Q587 WeakPolarHBondContact O-CB 3.37Å; C583-Q587 WeakPolarHBondContact O-CG 3.33Å; C583-Q587 PolarHBondContact O-N 2.99Å; C583-L608 HydrophobicContact CB-CD2 4.22Å
584	Q	90.4	Very high	89.9	Confident	96 Å²	96	63.7 Å²	63.7	45%	0.449	33%	0.329	S	S	.	.	H	α-helix	trans	-66.1	-36.7	176.7	-72.7	-169.9	29	0	0	113	S580 V581 V582 Q587 K588	S580-Q584 WeakPolarHBondContact O-CG 3.44Å; S580-Q584 PolarHBondContact O-N 3.05Å; S580-Q584 VanDerWaalsContact O-N 3.09Å; V581-Q584 WeakPolarHBondContact O-CB 3.43Å; V581-Q584 PolarHBondContact O-N 2.78Å; V581-Q584 VanDerWaalsContact O-N 3.12Å; V582-Q584 VanDerWaalsContact C-N 3.3Å; V582-Q584 PolarHBondContact O-N 3.49Å; Q584-Q587 PolarHBondContact O-N 3.29Å; Q584-K588 WeakPolarHBondContact O-CB 3.37Å; Q584-K588 WeakPolarHBondContact O-CG 3.31Å; Q584-K588 PolarHBondContact O-N 2.85Å
585	I	93.1	Very high	90.3	Very high	51 Å²	51	62.9 Å²	62.9	26%	0.262	32%	0.324	S	S	.	.	H	α-helix	trans	-57.2	-55.7	173.8	-71.2	173.2	0	0	0	109.1	I568 V581 V582 C583 Q587 K588 E589 C592	I568-I585 HydrophobicContact CG2-CB 4.34Å; I568-I585 HydrophobicContact CG2-CG2 3.95Å; V581-I585 HydrophobicContact CG1-CD1 4.31Å; V581-I585 WeakPolarHBondContact O-CG1 3.44Å; V581-I585 PolarHBondContact O-N 2.95Å; V581-I585 VanDerWaalsContact O-N 3.08Å; V582-I585 WeakPolarHBondContact O-CB 3.32Å; V582-I585 PolarHBondContact O-N 3.35Å; C583-I585 VanDerWaalsContact C-N 3.34Å; I585-Q587 VanDerWaalsContact C-N 3.28Å; I585-Q587 PolarHBondContact O-N 3.45Å; I585-K588 PolarHBondContact O-N 3.42Å; I585-E589 VanDerWaalsContact CG2-OE2 3.27Å; I585-E589 WeakPolarHBondContact CG2-OE2 3.49Å; I585-E589 VanDerWaalsContact O-CB 3.29Å; I585-E589 WeakPolarHBondContact O-CB 3.24Å; I585-E589 PolarHBondContact O-N 3.05Å; I585-C592 HydrophobicContact CG2-CB 4.36Å
586	F	94.6	Very high	90.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.7	-38	-179.9	-177.6	-101.6	0	0	0	113.3	K542 L544 I568 V582 C583 A595 L608 A610 A611	K542-F586 HydrophobicContact CB-CE2 4.45Å; K542-F586 HydrophobicContact CB-CZ 4.2Å; K542-F586 PolarHBondContact NZ-O 2.82Å; L544-F586 HydrophobicContact CD2-CE1 3.57Å; L544-F586 HydrophobicContact CD2-CZ 3.63Å; I568-F586 HydrophobicContact CD1-CB 3.62Å; I568-F586 HydrophobicContact CD1-CG 4.18Å; I568-F586 HydrophobicContact CG1-CB 4.09Å; I568-F586 HydrophobicContact CG1-CD2 4.39Å; I568-F586 HydrophobicContact CG1-CG 4.47Å; I568-F586 HydrophobicContact CG2-CB 4.43Å; V582-F586 PolarHBondContact O-N 2.87Å; C583-F586 PolarHBondContact O-N 3.41Å; F586-A595 HydrophobicContact CD1-CB 4.42Å; F586-A595 HydrophobicContact CD2-CB 3.86Å; F586-A595 HydrophobicContact CE1-CB 4.34Å; F586-A595 HydrophobicContact CE2-CB 3.76Å; F586-A595 HydrophobicContact CG-CB 4.18Å; F586-A595 HydrophobicContact CZ-CB 4Å; F586-L608 HydrophobicContact CD1-CD2 3.76Å; F586-L608 HydrophobicContact CE1-CD2 4.41Å; F586-L608 HydrophobicContact CG-CD2 4.43Å; F586-A610 HydrophobicContact CD1-CB 4.33Å; F586-A610 HydrophobicContact CE1-CB 4.19Å; F586-A611 HydrophobicContact CE1-CB 4Å; F586-A611 HydrophobicContact CZ-CB 3.84Å
587	Q	91	Very high	91.4	Very high	57 Å²	57	55.3 Å²	55.3	27%	0.266	28%	0.277	S	S	.	.	H	α-helix	trans	-71.5	-36.2	-179.6	-71.8	-82.4	25.1	0	0	113.5	C583 Q584 I585 H607 T609	C583-Q587 WeakPolarHBondContact O-CB 3.37Å; C583-Q587 WeakPolarHBondContact O-CG 3.33Å; C583-Q587 PolarHBondContact O-N 2.99Å; Q584-Q587 PolarHBondContact O-N 3.29Å; I585-Q587 VanDerWaalsContact C-N 3.28Å; I585-Q587 PolarHBondContact O-N 3.45Å; Q587-H607 PolarHBondContact NE2-O 3.36Å; Q587-T609 PolarHBondContact NE2-OG1 2.89Å; Q587-T609 VanDerWaalsContact NE2-OG1 3.08Å
588	K	92.3	Very high	91.9	Very high	147 Å²	147	49 Å²	49	64%	0.639	25%	0.248	S	C	*	.	H	α-helix	trans	-101.5	-26.8	-171.1	-67.6	174.3	-179.9	166.7	0	114.4	Q584 I585	Q584-K588 WeakPolarHBondContact O-CB 3.37Å; Q584-K588 WeakPolarHBondContact O-CG 3.31Å; Q584-K588 PolarHBondContact O-N 2.85Å; I585-K588 PolarHBondContact O-N 3.42Å
589	E	92.8	Very high	92.2	Very high	61 Å²	61	44.3 Å²	44.3	29%	0.285	23%	0.226	S	C	.	.			trans	-103.1	112.5	-171.5	-61.6	-172.9	157.5	0	0	110.6	K542 R566 I585 D591 C592	K542-E589 WeakPolarHBondContact CE-O 3.45Å; K542-E589 PolarHBondContact NZ-O 2.83Å; R566-E589 IonicContact CZ-OE1 3.38Å; R566-E589 IonicContact CZ-OE2 3.55Å; R566-E589 IonicContact NE-OE2 3.75Å; R566-E589 PolarHBondContact NE-OE2 3.11Å; R566-E589 IonicContact NH1-OE1 3.64Å; R566-E589 IonicContact NH1-OE2 2.7Å; R566-E589 PolarHBondContact NH1-OE2 3.12Å; R566-E589 VanDerWaalsContact NH1-OE2 3.11Å; R566-E589 VanDerWaalsContact NH2-CD 3.26Å; R566-E589 IonicContact NH2-OE1 2.75Å; R566-E589 PolarHBondContact NH2-OE1 3.12Å; R566-E589 VanDerWaalsContact NH2-OE1 3.16Å; R566-E589 IonicContact NH2-OE2 3.73Å; R566-E589 PolarHBondContact NH2-OE2 2.91Å; I585-E589 VanDerWaalsContact CG2-OE2 3.27Å; I585-E589 WeakPolarHBondContact CG2-OE2 3.49Å; I585-E589 VanDerWaalsContact O-CB 3.29Å; I585-E589 WeakPolarHBondContact O-CB 3.24Å; I585-E589 PolarHBondContact O-N 3.05Å; E589-D591 VanDerWaalsContact C-N 3.26Å; E589-D591 WeakPolarHBondContact CB-OD1 3.46Å; E589-D591 PolarHBondContact O-N 3.09Å; E589-C592 HydrophobicContact CB-CB 4.28Å; E589-C592 WeakPolarHBondContact O-CB 3.46Å; E589-C592 PolarHBondContact O-N 3.08Å; E589-C592 VanDerWaalsContact O-N 3.16Å
590	D	88.2	Confident	92.1	Very high	137 Å²	137	45.9 Å²	45.9	73%	0.733	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-22.4	-174.6	-68.7	-28.3	0	0	0	114	K542 C592	K542-D590 IonicContact NZ-OD1 3.33Å; D590-C592 VanDerWaalsContact C-N 3.33Å
591	D	90.2	Very high	92	Very high	85 Å²	85	43.5 Å²	43.5	46%	0.455	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.4	174.3	65	-43.6	0	0	0	113	R566 E589 R593	R566-D591 WeakPolarHBondContact CD-OD2 3.47Å; R566-D591 IonicContact CZ-OD2 3.85Å; R566-D591 IonicContact NE-OD2 2.62Å; R566-D591 IonicContact NH1-OD1 3.16Å; R566-D591 PolarHBondContact NH1-OD1 3.38Å; R566-D591 IonicContact NH1-OD2 3.86Å; R566-D591 PolarHBondContact NH1-OD2 3.46Å; E589-D591 VanDerWaalsContact C-N 3.26Å; E589-D591 WeakPolarHBondContact CB-OD1 3.46Å; E589-D591 PolarHBondContact O-N 3.09Å; D591-R593 PolarHBondContact O-N 3.45Å
592	C	93.8	Very high	91.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	101.5	170.5	-171.9	0	0	0	0	110	K542 R566 I585 E589 D590	K542-C592 WeakPolarHBondContact CE-O 3.23Å; R566-C592 HydrophobicContact CG-CB 4.36Å; R566-C592 WeakPolarHBondContact O-CA 3.47Å; I585-C592 HydrophobicContact CG2-CB 4.36Å; E589-C592 HydrophobicContact CB-CB 4.28Å; E589-C592 WeakPolarHBondContact O-CB 3.46Å; E589-C592 PolarHBondContact O-N 3.08Å; E589-C592 VanDerWaalsContact O-N 3.16Å; D590-C592 VanDerWaalsContact C-N 3.33Å
593	R	93.2	Very high	90	Very high	46 Å²	46	38.2 Å²	38.2	17%	0.174	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-20.1	-167	-68.2	-169.9	60.6	-151.5	-22.6	115.1	I537 G540 H541 K542 F543 R566 D591	I537-R593 VanDerWaalsContact O-CZ 3.24Å; I537-R593 PolarHBondContact O-NH1 3.2Å; I537-R593 PolarHBondContact O-NH2 3.16Å; G540-R593 VanDerWaalsContact N-NH2 3.11Å; G540-R593 PolarHBondContact O-NE 3.24Å; H541-R593 PolarHBondContact O-NE 2.5Å; H541-R593 PolarHBondContact O-NH2 2.62Å; K542-R593 VanDerWaalsContact CA-O 3.23Å; K542-R593 WeakPolarHBondContact CA-O 3.28Å; F543-R593 PolarHBondContact N-O 3.49Å; R566-R593 PolarHBondContact O-N 3.02Å; D591-R593 PolarHBondContact O-N 3.45Å
594	V	97.2	Very high	88.9	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.8	-176.2	-172.6	0	0	0	0	109.7	F543 L545 L560 I565 F567 I568	F543-V594 HydrophobicContact CD1-CG2 4.45Å; F543-V594 HydrophobicContact CD2-CG1 4.32Å; F543-V594 HydrophobicContact CE1-CG2 3.71Å; F543-V594 HydrophobicContact CE2-CB 4.49Å; F543-V594 HydrophobicContact CE2-CG1 3.77Å; F543-V594 HydrophobicContact CE2-CG2 4.05Å; F543-V594 HydrophobicContact CZ-CB 4.39Å; F543-V594 HydrophobicContact CZ-CG1 4.07Å; F543-V594 HydrophobicContact CZ-CG2 3.49Å; F543-V594 VanDerWaalsContact CZ-CG2 3.49Å; L545-V594 HydrophobicContact CB-CG1 4.16Å; L560-V594 HydrophobicContact CD1-CB 4.24Å; L560-V594 HydrophobicContact CD1-CG1 4Å; L560-V594 HydrophobicContact CD2-CG2 4.05Å; I565-V594 HydrophobicContact CG2-CG2 4.36Å; F567-V594 CarbonylContact C-O 3.44Å; F567-V594 WeakPolarHBondContact CA-O 3.31Å; F567-V594 HydrophobicContact CB-CB 3.86Å; F567-V594 VanDerWaalsContact CB-O 3.24Å; F567-V594 WeakPolarHBondContact CB-O 3.35Å; I568-V594 PolarHBondContact N-O 3.02Å
595	A	96.3	Very high	87.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	109.6	164.1	0	0	0	0	0	108.8	F543 L544 L545 I568 F586 L597	F543-A595 PolarHBondContact O-N 2.78Å; F543-A595 VanDerWaalsContact O-N 3.13Å; L544-A595 HydrophobicContact CD2-CB 3.71Å; L545-A595 PolarHBondContact N-O 3.2Å; I568-A595 HydrophobicContact CD1-CB 3.85Å; I568-A595 HydrophobicContact CG1-CB 3.63Å; F586-A595 HydrophobicContact CD1-CB 4.42Å; F586-A595 HydrophobicContact CD2-CB 3.86Å; F586-A595 HydrophobicContact CE1-CB 4.34Å; F586-A595 HydrophobicContact CE2-CB 3.76Å; F586-A595 HydrophobicContact CG-CB 4.18Å; F586-A595 HydrophobicContact CZ-CB 4Å; A595-L597 HydrophobicContact CB-CD1 4.38Å; A595-L597 HydrophobicContact CB-CD2 4.34Å; A595-L597 HydrophobicContact CB-CG 4.29Å
596	L	97	Very high	87.1	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	116.5	178.1	-175.8	64.3	0	0	0	109.3	L545 L553 L556 D557 F567 I568 R569 I570	L545-L596 HydrophobicContact CB-CD1 4.35Å; L545-L596 HydrophobicContact CD2-CD1 3.99Å; L545-L596 HydrophobicContact CG-CD1 4.06Å; L545-L596 CarbonylContact O-C 3.56Å; L545-L596 WeakPolarHBondContact O-CA 3.38Å; L553-L596 HydrophobicContact CD2-CD1 3.69Å; L553-L596 HydrophobicContact CD2-CD2 4.27Å; L553-L596 HydrophobicContact CD2-CG 3.67Å; L553-L596 WeakPolarHBondContact O-CD2 3.37Å; L556-L596 HydrophobicContact CB-CD1 4.01Å; L556-L596 HydrophobicContact CB-CD2 4.19Å; L556-L596 HydrophobicContact CD1-CD1 3.88Å; D557-L596 HydrophobicContact CB-CD2 4.09Å; F567-L596 HydrophobicContact CD2-CB 4.35Å; F567-L596 HydrophobicContact CE2-CD2 4.43Å; I568-L596 WeakPolarHBondContact O-CB 3.36Å; I568-L596 PolarHBondContact O-N 2.75Å; R569-L596 CarbonylContact C-O 3.56Å; R569-L596 VanDerWaalsContact CA-O 3.24Å; R569-L596 WeakPolarHBondContact CA-O 3.42Å; R569-L596 HydrophobicContact CG-CD2 4.42Å; I570-L596 PolarHBondContact N-O 2.82Å
597	L	96.1	Very high	86.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136	-165.1	-56.4	172.8	0	0	0	110.9	L544 L545 F546 A547 I570 A595 A602 L608	L544-L597 HydrophobicContact CB-CD1 4.25Å; L544-L597 HydrophobicContact CD1-CD1 4.36Å; L544-L597 HydrophobicContact CD2-CD1 4.47Å; L545-L597 PolarHBondContact O-N 2.94Å; F546-L597 VanDerWaalsContact CA-O 3.26Å; F546-L597 WeakPolarHBondContact CA-O 3.29Å; F546-L597 HydrophobicContact CD1-CB 3.54Å; F546-L597 HydrophobicContact CD1-CD1 4.3Å; F546-L597 HydrophobicContact CE1-CB 3.49Å; F546-L597 VanDerWaalsContact CE1-CB 3.49Å; F546-L597 HydrophobicContact CE1-CD1 3.61Å; F546-L597 HydrophobicContact CE1-CG 4.2Å; F546-L597 HydrophobicContact CE2-CD1 3.92Å; F546-L597 HydrophobicContact CG-CB 4.25Å; F546-L597 HydrophobicContact CZ-CB 4.17Å; F546-L597 HydrophobicContact CZ-CD1 3.39Å; F546-L597 HydrophobicContact CZ-CG 4.43Å; A547-L597 PolarHBondContact N-O 2.98Å; I570-L597 HydrophobicContact CB-CD2 3.77Å; I570-L597 HydrophobicContact CD1-CD2 3.88Å; I570-L597 HydrophobicContact CG1-CD2 4.02Å; I570-L597 WeakPolarHBondContact O-CA 3.47Å; A595-L597 HydrophobicContact CB-CD1 4.38Å; A595-L597 HydrophobicContact CB-CD2 4.34Å; A595-L597 HydrophobicContact CB-CG 4.29Å; L597-A602 HydrophobicContact CB-CB 4Å; L597-A602 HydrophobicContact CD2-CB 4.33Å; L597-L608 HydrophobicContact CD1-CD1 3.5Å; L597-L608 VanDerWaalsContact CD1-CD1 3.5Å; L597-L608 HydrophobicContact CD2-CD1 4.14Å; L597-L608 HydrophobicContact CG-CD1 4.47Å
598	S	94.7	Very high	86.3	Confident	8 Å²	8	40.1 Å²	40.1	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.5	167	167.7	0	0	0	0	110.3	A547 I570 T600 A601 A602	A547-S598 CarbonylContact O-C 3.59Å; A547-S598 VanDerWaalsContact O-CA 3.31Å; A547-S598 WeakPolarHBondContact O-CA 3.41Å; I570-S598 PolarHBondContact O-N 2.77Å; S598-T600 VanDerWaalsContact C-N 3.3Å; S598-T600 PolarHBondContact O-N 3.3Å; S598-T600 PolarHBondContact OG-OG1 3.11Å; S598-A601 PolarHBondContact OG-N 2.98Å; S598-A602 WeakPolarHBondContact O-CB 3.49Å; S598-A602 PolarHBondContact O-N 2.84Å
599	I	91.7	Very high	85.9	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-44.8	178.9	-67.5	169.6	0	0	0	111.3	F546 A547 H548 F616 F620 A625	F546-I599 HydrophobicContact CB-CG1 3.81Å; F546-I599 HydrophobicContact CD1-CG1 4.32Å; F546-I599 HydrophobicContact CG-CG1 4.49Å; A547-I599 PolarHBondContact O-N 3.39Å; H548-I599 HydrophobicContact CB-CD1 4.24Å; I599-F616 HydrophobicContact CD1-CD1 4.05Å; I599-F616 HydrophobicContact CG1-CD1 4.22Å; I599-F616 HydrophobicContact CG1-CE1 4.3Å; I599-F620 HydrophobicContact CD1-CB 4.08Å; I599-F620 HydrophobicContact CG2-CB 4.11Å; I599-F620 HydrophobicContact CG2-CD1 4.13Å; I599-F620 HydrophobicContact CG2-CG 4.14Å; I599-A625 HydrophobicContact CG2-CB 4.4Å
600	T	86.3	Confident	85.6	Confident	78 Å²	78	33.5 Å²	33.5	48%	0.479	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-41.9	-175.8	49.3	0	0	0	0	112.2	S598 F620	S598-T600 VanDerWaalsContact C-N 3.3Å; S598-T600 PolarHBondContact O-N 3.3Å; S598-T600 PolarHBondContact OG-OG1 3.11Å; T600-F620 HydrophobicContact CG2-CE1 4.28Å; T600-F620 HydrophobicContact CG2-CE2 4.35Å; T600-F620 HydrophobicContact CG2-CZ 3.88Å
601	A	82	Confident	85.7	Confident	19 Å²	19	27 Å²	27	16%	0.157	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-25.6	-175.6	0	0	0	0	0	113.9	R579 S598	R579-A601 PolarHBondContact NH1-O 2.82Å; S598-A601 PolarHBondContact OG-N 2.98Å
602	A	76.6	Confident	85.6	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	6	-178.8	0	0	0	0	0	113.8	F546 I570 L597 S598 T604 L606	F546-A602 HydrophobicContact CE1-CB 4.41Å; I570-A602 HydrophobicContact CG2-CB 4.27Å; L597-A602 HydrophobicContact CB-CB 4Å; L597-A602 HydrophobicContact CD2-CB 4.33Å; S598-A602 WeakPolarHBondContact O-CB 3.49Å; S598-A602 PolarHBondContact O-N 2.84Å; A602-T604 VanDerWaalsContact C-N 3.25Å; A602-T604 PolarHBondContact O-N 3.26Å; A602-L606 HydrophobicContact CB-CD1 3.87Å
603	G	62.8	Low	85.5	Confident	4 Å²	4	24.8 Å²	24.8	4%	0.041	16%	0.158	C	C	.	.	S	Bend	trans	-64.2	-25.2	-178.5	0	0	0	0	0	114.3	R632	G603-R632 PolarHBondContact O-NE 3.1Å; G603-R632 PolarHBondContact O-NH2 2.55Å
604	T	67.5	Low	85.6	Confident	92 Å²	92	22.6 Å²	22.6	56%	0.564	15%	0.149	S	C	*	.	S	Bend	trans	-114.9	150.4	-173.8	61.7	0	0	0	0	113.2	A602 L606	A602-T604 VanDerWaalsContact C-N 3.25Å; A602-T604 PolarHBondContact O-N 3.26Å; T604-L606 VanDerWaalsContact C-N 3.31Å; T604-L606 PolarHBondContact O-N 2.97Å
605	G	67.5	Low	85.5	Confident	61 Å²	61	22.6 Å²	22.6	63%	0.629	15%	0.149	S	C	*	.	S	Bend	trans	74.2	-11.9	164.9	0	0	0	0	0	119.2
606	L	77.3	Confident	85.6	Confident	12 Å²	12	22.6 Å²	22.6	6%	0.063	15%	0.149	C	C	.	.			trans	-95.3	147.5	-173.9	-50.8	177.2	0	0	0	114.2	I570 R579 A602 T604 R632 R635	I570-L606 HydrophobicContact CD1-CD1 3.6Å; I570-L606 HydrophobicContact CD1-CD2 4.38Å; I570-L606 HydrophobicContact CG2-CD1 4.24Å; R579-L606 HydrophobicContact CB-CD2 3.99Å; A602-L606 HydrophobicContact CB-CD1 3.87Å; T604-L606 VanDerWaalsContact C-N 3.31Å; T604-L606 PolarHBondContact O-N 2.97Å; L606-R632 PolarHBondContact O-NH1 3.3Å; L606-R635 PolarHBondContact O-NH1 3.17Å
607	H	81.2	Confident	85.5	Confident	91 Å²	91	22.6 Å²	22.6	42%	0.421	15%	0.149	S	C	.	.			trans	-121.5	109.1	173.2	-68.1	-95.6	0	0	0	109.3	Q587 R635	Q587-H607 PolarHBondContact NE2-O 3.36Å; H607-R635 PolarHBondContact CD2-NH1 2.77Å; H607-R635 PolarHBondContact CE1-NE 3.46Å; H607-R635 PolarHBondContact CE1-NH1 2.94Å; H607-R635 VanDerWaalsContact CE1-NH1 3.28Å; H607-R635 WeakPolarHBondContact ND1-CD 3.49Å; H607-R635 VanDerWaalsContact NE2-CZ 3.27Å; H607-R635 PolarHBondContact NE2-NH1 3.11Å; H607-R635 VanDerWaalsContact NE2-NH1 3.15Å; H607-R635 PolarHBondContact NE2-NH2 3.33Å
608	L	86.9	Confident	85.5	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.15	C	C	.	.			trans	-126	40.9	-173.1	-66	172.3	0	0	0	112.4	L544 I568 C583 F586 L597 A610 A611 R632	L544-L608 HydrophobicContact CD1-CB 3.92Å; L544-L608 HydrophobicContact CD1-CD1 4.22Å; L544-L608 HydrophobicContact CD2-CB 3.89Å; L544-L608 HydrophobicContact CD2-CD1 4.08Å; I568-L608 HydrophobicContact CD1-CD2 4.46Å; C583-L608 HydrophobicContact CB-CD2 4.22Å; F586-L608 HydrophobicContact CD1-CD2 3.76Å; F586-L608 HydrophobicContact CE1-CD2 4.41Å; F586-L608 HydrophobicContact CG-CD2 4.43Å; L597-L608 HydrophobicContact CD1-CD1 3.5Å; L597-L608 VanDerWaalsContact CD1-CD1 3.5Å; L597-L608 HydrophobicContact CD2-CD1 4.14Å; L597-L608 HydrophobicContact CG-CD1 4.47Å; L608-A610 PolarHBondContact O-N 3.36Å; L608-A610 VanDerWaalsContact O-N 3.16Å; L608-A611 PolarHBondContact O-N 3.37Å; L608-R632 PolarHBondContact N-O 3.15Å
609	T	84.8	Confident	85.4	Confident	31 Å²	31	22.4 Å²	22.4	19%	0.19	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.7	-177.2	55.3	0	0	0	0	115.6	Q587 A611 R635 Q638	Q587-T609 PolarHBondContact NE2-OG1 2.89Å; Q587-T609 VanDerWaalsContact NE2-OG1 3.08Å; T609-A611 PolarHBondContact O-N 2.78Å; T609-R635 HydrophobicContact CG2-CB 4.24Å; T609-Q638 HydrophobicContact CG2-CB 4.25Å; T609-Q638 PolarHBondContact O-NE2 3Å; T609-Q638 VanDerWaalsContact O-NE2 3.1Å
610	A	87.1	Confident	85.4	Confident	38 Å²	38	23 Å²	23	31%	0.314	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.8	173.8	0	0	0	0	0	113.5	K542 F586 L608	K542-A610 HydrophobicContact CD-CB 4.34Å; F586-A610 HydrophobicContact CD1-CB 4.33Å; F586-A610 HydrophobicContact CE1-CB 4.19Å; L608-A610 PolarHBondContact O-N 3.36Å; L608-A610 VanDerWaalsContact O-N 3.16Å
611	A	90.2	Very high	85.3	Confident	1 Å²	1	20.8 Å²	20.8	1%	0.008	13%	0.133	C	C	.	.			trans	-104.7	142	170.3	0	0	0	0	0	110.8	K542 L544 F586 L608 T609 Q638	K542-A611 HydrophobicContact CB-CB 4.49Å; L544-A611 HydrophobicContact CD2-CB 3.82Å; L544-A611 HydrophobicContact CG-CB 3.95Å; F586-A611 HydrophobicContact CE1-CB 4Å; F586-A611 HydrophobicContact CZ-CB 3.84Å; L608-A611 PolarHBondContact O-N 3.37Å; T609-A611 PolarHBondContact O-N 2.78Å; A611-Q638 PolarHBondContact O-NE2 3.47Å; A611-Q638 VanDerWaalsContact O-NE2 3.17Å
612	N	88.1	Confident	85.4	Confident	37 Å²	37	21.6 Å²	21.6	20%	0.198	14%	0.135	C	C	.	.	S	Bend	trans	-113.5	5.9	170.1	63.6	-2.6	0	0	0	111.9	K466 D640 L643	K466-N612 PolarHBondContact NZ-ND2 3.02Å; N612-D640 PolarHBondContact ND2-OD2 3.39Å; N612-L643 PolarHBondContact O-N 2.82Å
613	L	92	Very high	85.7	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.8	174.6	176.2	61.6	0	0	0	109.3	M268 L536 F543 L544 I615 L643 R645	M268-L613 HydrophobicContact CE-CB 3.81Å; M268-L613 HydrophobicContact CE-CD2 3.82Å; M268-L613 HydrophobicContact CE-CG 4.27Å; M268-L613 HydrophobicContact SD-CD2 3.99Å; L536-L613 HydrophobicContact CD2-CD2 4.29Å; F543-L613 WeakPolarHBondContact CA-O 3.3Å; F543-L613 HydrophobicContact CB-CB 3.93Å; F543-L613 HydrophobicContact CB-CD2 3.88Å; F543-L613 HydrophobicContact CB-CG 3.89Å; L544-L613 PolarHBondContact N-O 3.42Å; L613-I615 HydrophobicContact CD1-CG1 4.29Å; L613-I615 HydrophobicContact CD2-CD1 4.18Å; L613-I615 HydrophobicContact CD2-CG1 4.45Å; L613-I615 HydrophobicContact CG-CD1 4.33Å; L613-I615 HydrophobicContact CG-CG1 4.11Å; L613-L643 CarbonylContact C-O 3.59Å; L613-L643 WeakPolarHBondContact CA-O 3.46Å; L613-L643 HydrophobicContact CD1-CB 4.29Å; L613-L643 HydrophobicContact CD1-CD2 4.06Å; L613-L643 HydrophobicContact CD1-CG 3.92Å; L613-R645 HydrophobicContact CD1-CG 4.13Å
614	V	94.1	Very high	86.7	Confident	0 Å²	0	23 Å²	23	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.9	175.9	-177.2	0	0	0	0	108.4	L544 F546 F616 A633 V642 L643 I644 R645	L544-V614 HydrophobicContact CB-CG1 4.47Å; L544-V614 HydrophobicContact CB-CG2 4.43Å; L544-V614 HydrophobicContact CD1-CG2 4.14Å; L544-V614 HydrophobicContact CG-CG2 4.4Å; F546-V614 HydrophobicContact CD2-CG1 3.66Å; F546-V614 HydrophobicContact CE2-CG1 3.66Å; V614-F616 HydrophobicContact CG1-CD2 4.3Å; V614-F616 HydrophobicContact CG1-CE2 3.78Å; V614-F616 HydrophobicContact CG1-CZ 4.29Å; V614-A633 HydrophobicContact CG2-CB 3.51Å; V614-V642 HydrophobicContact CG2-CG1 4.1Å; V614-L643 PolarHBondContact N-O 2.92Å; V614-I644 HydrophobicContact CB-CG1 4.36Å; V614-I644 CarbonylContact O-C 3.6Å; V614-I644 WeakPolarHBondContact O-CA 3.45Å; V614-R645 PolarHBondContact O-N 3.48Å
615	I	96	Very high	87.5	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.7	-178.7	-56.5	165	0	0	0	108.2	Y532 L536 F543 L544 L545 F546 L613 R645 L647	Y532-I615 HydrophobicContact CE1-CD1 4.19Å; Y532-I615 HydrophobicContact CE1-CG2 4.27Å; L536-I615 HydrophobicContact CD1-CD1 3.14Å; L536-I615 HydrophobicContact CD1-CG1 4.38Å; F543-I615 HydrophobicContact CB-CD1 4.38Å; F543-I615 HydrophobicContact CD2-CD1 3.5Å; F543-I615 VanDerWaalsContact CD2-CD1 3.5Å; F543-I615 HydrophobicContact CD2-CG1 4.48Å; F543-I615 HydrophobicContact CE2-CD1 3.9Å; F543-I615 HydrophobicContact CG-CD1 4.05Å; L544-I615 PolarHBondContact O-N 3.32Å; L545-I615 WeakPolarHBondContact CA-O 3.17Å; L545-I615 HydrophobicContact CD1-CB 3.93Å; L545-I615 HydrophobicContact CD1-CG2 3.77Å; F546-I615 PolarHBondContact N-O 2.83Å; L613-I615 HydrophobicContact CD1-CG1 4.29Å; L613-I615 HydrophobicContact CD2-CD1 4.18Å; L613-I615 HydrophobicContact CD2-CG1 4.45Å; L613-I615 HydrophobicContact CG-CD1 4.33Å; L613-I615 HydrophobicContact CG-CG1 4.11Å; I615-R645 CarbonylContact C-O 3.53Å; I615-R645 WeakPolarHBondContact CA-O 3.42Å; I615-L647 HydrophobicContact CG2-CD1 3.87Å; I615-L647 HydrophobicContact CG2-CD2 4.07Å; I615-L647 HydrophobicContact CG2-CG 3.82Å
616	F	96.7	Very high	88.5	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	104.7	168.6	-70.4	-88.2	0	0	0	108.4	F546 I599 V614 E618 L626 A629 E630 I644 R645 Y646 L647	F546-F616 HydrophobicContact CB-CD1 3.66Å; F546-F616 HydrophobicContact CB-CE1 3.84Å; F546-F616 HydrophobicContact CB-CG 4.36Å; F546-F616 HydrophobicContact CD2-CE1 4.17Å; F546-F616 HydrophobicContact CD2-CZ 4.24Å; F546-F616 HydrophobicContact CG-CD1 4.31Å; F546-F616 AromaticContact CG-CE1 4Å; F546-F616 HydrophobicContact CG-CE1 4Å; I599-F616 HydrophobicContact CD1-CD1 4.05Å; I599-F616 HydrophobicContact CG1-CD1 4.22Å; I599-F616 HydrophobicContact CG1-CE1 4.3Å; V614-F616 HydrophobicContact CG1-CD2 4.3Å; V614-F616 HydrophobicContact CG1-CE2 3.78Å; V614-F616 HydrophobicContact CG1-CZ 4.29Å; F616-E618 PolarHBondContact O-N 3.38Å; F616-L626 HydrophobicContact CD1-CD2 3.62Å; F616-L626 HydrophobicContact CE1-CD2 3.49Å; F616-L626 VanDerWaalsContact CE1-CD2 3.49Å; F616-L626 HydrophobicContact CG-CD2 4.33Å; F616-L626 HydrophobicContact CZ-CD2 4.1Å; F616-A629 HydrophobicContact CE1-CB 3.88Å; F616-A629 HydrophobicContact CZ-CB 3.77Å; F616-E630 HydrophobicContact CE2-CG 3.7Å; F616-E630 HydrophobicContact CZ-CG 3.9Å; F616-I644 HydrophobicContact CD2-CG2 3.93Å; F616-I644 HydrophobicContact CE2-CG2 3.72Å; F616-R645 PolarHBondContact N-O 2.87Å; F616-Y646 HydrophobicContact CB-CD1 3.7Å; F616-Y646 HydrophobicContact CB-CE1 4.36Å; F616-Y646 HydrophobicContact CB-CG 4.49Å; F616-Y646 AromaticContact CD2-CD1 3.55Å; F616-Y646 HydrophobicContact CD2-CD1 3.55Å; F616-Y646 AromaticContact CD2-CE1 3.39Å; F616-Y646 HydrophobicContact CD2-CE1 3.39Å; F616-Y646 HydrophobicContact CD2-CG 4.48Å; F616-Y646 HydrophobicContact CE2-CD1 4.37Å; F616-Y646 AromaticContact CE2-CE1 3.75Å; F616-Y646 HydrophobicContact CE2-CE1 3.75Å; F616-Y646 AromaticContact CG-CD1 3.75Å; F616-Y646 HydrophobicContact CG-CD1 3.75Å; F616-Y646 AromaticContact CG-CE1 3.9Å; F616-Y646 HydrophobicContact CG-CE1 3.9Å; F616-L647 WeakPolarHBondContact O-CB 3.35Å; F616-L647 WeakPolarHBondContact O-CG 3.39Å; F616-L647 PolarHBondContact O-N 2.94Å
617	A	96.9	Very high	88.9	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-64.4	-31.8	173.6	0	0	0	0	0	111.3	K525 I529 L545 F546 A547	K525-A617 PolarHBondContact NZ-O 3.13Å; I529-A617 HydrophobicContact CD1-CB 4.17Å; I529-A617 WeakPolarHBondContact CD1-O 3.37Å; I529-A617 HydrophobicContact CG2-CB 3.93Å; L545-A617 HydrophobicContact CD1-CB 4.06Å; F546-A617 WeakPolarHBondContact O-CB 3.29Å; F546-A617 PolarHBondContact O-N 3.22Å; A547-A617 HydrophobicContact CB-CB 4.31Å
618	E	95.4	Very high	89.1	Confident	3 Å²	3	17.5 Å²	17.5	1%	0.014	10%	0.104	C	C	.	.	S	Bend	trans	-125.5	140.3	177.7	-59.6	-173.1	94.7	0	0	110.3	F518 G522 A547 H548 H549 V552 F616	F518-E618 HydrophobicContact CE2-CB 4.34Å; F518-E618 HydrophobicContact CZ-CB 4.19Å; G522-E618 WeakPolarHBondContact CA-OE1 3.49Å; A547-E618 HydrophobicContact CB-CG 4.5Å; H548-E618 WeakPolarHBondContact CA-OE2 3.35Å; H548-E618 PolarHBondContact N-OE2 3.31Å; H549-E618 IonicContact CE1-OE1 2.84Å; H549-E618 IonicContact CG-OE1 2.71Å; H549-E618 PolarHBondContact N-OE2 3.05Å; H549-E618 IonicContact ND1-OE1 3.12Å; H549-E618 PolarHBondContact ND1-OE1 3.35Å; H549-E618 IonicContact ND1-OE2 2.84Å; V552-E618 HydrophobicContact CG1-CG 4.33Å; F616-E618 PolarHBondContact O-N 3.38Å
619	L	92.6	Very high	89.1	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.104	C	C	.	.			trans	-94	105.4	-179.7	-178.6	67	0	0	0	110	F518 L626 Y646 I648 I657 W658	F518-L619 WeakPolarHBondContact CE2-O 3.12Å; L619-L626 HydrophobicContact CD1-CD1 4.15Å; L619-Y646 HydrophobicContact CD1-CD1 3.93Å; L619-Y646 HydrophobicContact CD1-CG 4.39Å; L619-I648 HydrophobicContact CD2-CG2 4.39Å; L619-I657 HydrophobicContact CD2-CB 4.04Å; L619-I657 HydrophobicContact CD2-CG2 3.76Å; L619-I657 HydrophobicContact CG-CB 4.47Å; L619-I657 HydrophobicContact CG-CG2 3.74Å; L619-W658 HydrophobicContact CD1-CE3 3.93Å; L619-W658 HydrophobicContact CD1-CZ3 4.2Å; L619-W658 HydrophobicContact CD2-CB 3.74Å; L619-W658 HydrophobicContact CD2-CE3 3.83Å
620	F	90.9	Very high	89.3	Confident	14 Å²	14	16 Å²	16	6%	0.061	10%	0.095	C	C	.	.			trans	-79.4	141.2	178.8	-164.7	-119.7	0	0	0	111.7	F518 H548 I599 T600 N622 A625 L626 V661	F518-F620 HydrophobicContact CE1-CD2 4.43Å; H548-F620 AromaticContact CE1-CE2 3.4Å; H548-F620 VanDerWaalsContact CE1-CE2 3.4Å; H548-F620 WeakPolarHBondContact CE1-CE2 3.26Å; H548-F620 AromaticContact ND1-CD2 3.74Å; H548-F620 AromaticContact ND1-CE2 3.52Å; I599-F620 HydrophobicContact CD1-CB 4.08Å; I599-F620 HydrophobicContact CG2-CB 4.11Å; I599-F620 HydrophobicContact CG2-CD1 4.13Å; I599-F620 HydrophobicContact CG2-CG 4.14Å; T600-F620 HydrophobicContact CG2-CE1 4.28Å; T600-F620 HydrophobicContact CG2-CE2 4.35Å; T600-F620 HydrophobicContact CG2-CZ 3.88Å; F620-N622 VanDerWaalsContact C-N 3.34Å; F620-N622 HydrophobicContact CD1-CB 3.79Å; F620-N622 HydrophobicContact CE1-CB 3.56Å; F620-N622 PolarHBondContact O-N 2.96Å; F620-A625 HydrophobicContact CD1-CB 3.78Å; F620-A625 HydrophobicContact CE1-CB 3.82Å; F620-L626 HydrophobicContact CB-CD2 3.9Å; F620-L626 HydrophobicContact CB-CG 4.39Å; F620-L626 WeakPolarHBondContact O-CD1 2.97Å; F620-V661 WeakPolarHBondContact O-CG2 3.26Å
621	W	83.8	Confident	89.3	Confident	31 Å²	31	16.5 Å²	16.5	12%	0.117	9%	0.092	C	C	.	.	S	Bend	trans	-74.7	-18.9	-174.7	61.1	83.6	0	0	0	114.4	F515 F518 P623 I657	F515-W621 AromaticContact CD1-CH2 3.81Å; F515-W621 HydrophobicContact CD1-CH2 3.81Å; F515-W621 HydrophobicContact CD1-CZ2 4.39Å; F515-W621 HydrophobicContact CD1-CZ3 4.14Å; F515-W621 AromaticContact CE1-CH2 3.29Å; F515-W621 HydrophobicContact CE1-CH2 3.29Å; F515-W621 AromaticContact CE1-CZ2 3.47Å; F515-W621 HydrophobicContact CE1-CZ2 3.47Å; F515-W621 VanDerWaalsContact CE1-CZ2 3.47Å; F515-W621 AromaticContact CE1-CZ3 3.99Å; F515-W621 HydrophobicContact CE1-CZ3 3.99Å; F515-W621 HydrophobicContact CZ-CH2 4.38Å; F515-W621 HydrophobicContact CZ-CZ2 4.17Å; F518-W621 HydrophobicContact CD1-CE3 4.24Å; F518-W621 AromaticContact CD1-CZ3 3.56Å; F518-W621 HydrophobicContact CD1-CZ3 3.56Å; F518-W621 HydrophobicContact CE1-CE3 4.27Å; F518-W621 AromaticContact CE1-CZ3 3.6Å; F518-W621 HydrophobicContact CE1-CZ3 3.6Å; F518-W621 HydrophobicContact CG-CZ3 4.35Å; F518-W621 HydrophobicContact CZ-CZ3 4.45Å; W621-P623 VanDerWaalsContact O-CD 3.31Å; W621-P623 WeakPolarHBondContact O-CD 3.47Å; W621-I657 HydrophobicContact CB-CG2 4.18Å
622	N	84.9	Confident	88.9	Confident	35 Å²	35	17.5 Å²	17.5	19%	0.187	10%	0.096	C	C	.	.			trans	-89.5	109.6	177.1	-172.8	-22	0	0	0	109.9	F620 G624 A625 L626 D842	F620-N622 VanDerWaalsContact C-N 3.34Å; F620-N622 HydrophobicContact CD1-CB 3.79Å; F620-N622 HydrophobicContact CE1-CB 3.56Å; F620-N622 PolarHBondContact O-N 2.96Å; N622-G624 VanDerWaalsContact C-N 3.29Å; N622-G624 PolarHBondContact O-N 3.5Å; N622-G624 PolarHBondContact OD1-N 2.99Å; N622-A625 HydrophobicContact CB-CB 4.34Å; N622-A625 PolarHBondContact O-N 3.19Å; N622-L626 PolarHBondContact O-N 3.46Å; N622-D842 PolarHBondContact ND2-OD2 3.19Å
623	P	83.3	Confident	88.6	Confident	6 Å²	6	15.8 Å²	15.8	4%	0.039	9%	0.087	C	C	.	.	H	α-helix	trans	-65.8	-29.5	180	28.5	-36.6	0	0	0	113.4	W621 A625 L626 V627 K664 L665 L668	W621-P623 VanDerWaalsContact O-CD 3.31Å; W621-P623 WeakPolarHBondContact O-CD 3.47Å; P623-A625 VanDerWaalsContact C-N 3.33Å; P623-A625 PolarHBondContact O-N 3.49Å; P623-L626 PolarHBondContact O-N 3.35Å; P623-V627 WeakPolarHBondContact O-CG2 3.41Å; P623-V627 PolarHBondContact O-N 3.34Å; P623-K664 HydrophobicContact CG-CB 3.81Å; P623-K664 HydrophobicContact CG-CD 4.31Å; P623-L665 HydrophobicContact CB-CD1 3.53Å; P623-L665 HydrophobicContact CB-CD2 3.81Å; P623-L665 HydrophobicContact CB-CG 3.49Å; P623-L665 VanDerWaalsContact CB-CG 3.49Å; P623-L665 HydrophobicContact CG-CG 4.34Å; P623-L668 HydrophobicContact CG-CD1 4.28Å
624	G	83	Confident	87.9	Confident	27 Å²	27	19.9 Å²	19.9	28%	0.278	10%	0.102	S	C	.	.	H	α-helix	trans	-61.3	-43.8	177.9	0	0	0	0	0	111.5	N622 V627 Q628	N622-G624 VanDerWaalsContact C-N 3.29Å; N622-G624 PolarHBondContact O-N 3.5Å; N622-G624 PolarHBondContact OD1-N 2.99Å; G624-V627 PolarHBondContact O-N 2.9Å; G624-Q628 WeakPolarHBondContact O-CB 3.4Å; G624-Q628 VanDerWaalsContact O-CG 3.27Å; G624-Q628 WeakPolarHBondContact O-CG 3.38Å; G624-Q628 PolarHBondContact O-N 3.09Å
625	A	85.5	Confident	87.2	Confident	18 Å²	18	24 Å²	24	15%	0.149	12%	0.118	C	C	.	.	H	α-helix	trans	-64.5	-39.7	175.5	0	0	0	0	0	112.3	I599 F620 N622 P623 Q628 A629	I599-A625 HydrophobicContact CG2-CB 4.4Å; F620-A625 HydrophobicContact CD1-CB 3.78Å; F620-A625 HydrophobicContact CE1-CB 3.82Å; N622-A625 HydrophobicContact CB-CB 4.34Å; N622-A625 PolarHBondContact O-N 3.19Å; P623-A625 VanDerWaalsContact C-N 3.33Å; P623-A625 PolarHBondContact O-N 3.49Å; A625-Q628 PolarHBondContact O-N 3.32Å; A625-A629 WeakPolarHBondContact O-CB 3.43Å; A625-A629 PolarHBondContact O-N 2.75Å
626	L	88.3	Confident	86	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-50.3	174.5	-64.9	178.7	0	0	0	111.2	F616 L619 F620 N622 P623 Q628 A629 E630 Y646 V661	F616-L626 HydrophobicContact CD1-CD2 3.62Å; F616-L626 HydrophobicContact CE1-CD2 3.49Å; F616-L626 VanDerWaalsContact CE1-CD2 3.49Å; F616-L626 HydrophobicContact CG-CD2 4.33Å; F616-L626 HydrophobicContact CZ-CD2 4.1Å; L619-L626 HydrophobicContact CD1-CD1 4.15Å; F620-L626 HydrophobicContact CB-CD2 3.9Å; F620-L626 HydrophobicContact CB-CG 4.39Å; F620-L626 WeakPolarHBondContact O-CD1 2.97Å; N622-L626 PolarHBondContact O-N 3.46Å; P623-L626 PolarHBondContact O-N 3.35Å; L626-Q628 VanDerWaalsContact C-N 3.35Å; L626-Q628 PolarHBondContact O-N 2.83Å; L626-A629 WeakPolarHBondContact O-CB 3.37Å; L626-A629 PolarHBondContact O-N 3.38Å; L626-A629 VanDerWaalsContact O-N 3.12Å; L626-E630 VanDerWaalsContact O-CG 3.25Å; L626-E630 WeakPolarHBondContact O-CG 3.13Å; L626-E630 PolarHBondContact O-N 2.94Å; L626-Y646 HydrophobicContact CD1-CE1 4.14Å; L626-Y646 HydrophobicContact CD2-CE1 4.39Å; L626-V661 HydrophobicContact CD1-CG1 3.94Å; L626-V661 HydrophobicContact CD1-CG2 4.45Å
627	V	85.1	Confident	84.7	Confident	26 Å²	26	34.4 Å²	34.4	16%	0.158	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-43.4	179.3	173.5	0	0	0	0	111.2	P623 G624 A629 E630 D631 L665	P623-V627 WeakPolarHBondContact O-CG2 3.41Å; P623-V627 PolarHBondContact O-N 3.34Å; G624-V627 PolarHBondContact O-N 2.9Å; V627-A629 VanDerWaalsContact C-N 3.3Å; V627-A629 PolarHBondContact O-N 2.75Å; V627-E630 WeakPolarHBondContact O-CB 3.32Å; V627-E630 PolarHBondContact O-N 3.2Å; V627-D631 VanDerWaalsContact O-CG 3.29Å; V627-D631 PolarHBondContact O-N 2.76Å; V627-L665 HydrophobicContact CG2-CD2 4.06Å
628	Q	85.5	Confident	83.7	Confident	96 Å²	96	36.1 Å²	36.1	45%	0.449	19%	0.192	S	C	.	.	H	α-helix	trans	-61.5	-37.9	175.8	-74.2	-180	23.6	0	0	112.9	G624 A625 L626 R632	G624-Q628 WeakPolarHBondContact O-CB 3.4Å; G624-Q628 VanDerWaalsContact O-CG 3.27Å; G624-Q628 WeakPolarHBondContact O-CG 3.38Å; G624-Q628 PolarHBondContact O-N 3.09Å; A625-Q628 PolarHBondContact O-N 3.32Å; L626-Q628 VanDerWaalsContact C-N 3.35Å; L626-Q628 PolarHBondContact O-N 2.83Å; Q628-R632 PolarHBondContact O-NE 3.47Å; Q628-R632 PolarHBondContact O-NH2 2.83Å; Q628-R632 VanDerWaalsContact O-NH2 3.17Å
629	A	88	Confident	82.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.6	-40.1	175.9	0	0	0	0	0	111.9	F546 F616 A625 L626 V627 D631 R632	F546-A629 HydrophobicContact CD1-CB 4.15Å; F546-A629 HydrophobicContact CE1-CB 3.78Å; F546-A629 HydrophobicContact CE2-CB 4.26Å; F546-A629 HydrophobicContact CZ-CB 3.83Å; F546-A629 WeakPolarHBondContact CZ-O 3.35Å; F616-A629 HydrophobicContact CE1-CB 3.88Å; F616-A629 HydrophobicContact CZ-CB 3.77Å; A625-A629 WeakPolarHBondContact O-CB 3.43Å; A625-A629 PolarHBondContact O-N 2.75Å; L626-A629 WeakPolarHBondContact O-CB 3.37Å; L626-A629 PolarHBondContact O-N 3.38Å; L626-A629 VanDerWaalsContact O-N 3.12Å; V627-A629 VanDerWaalsContact C-N 3.3Å; V627-A629 PolarHBondContact O-N 2.75Å; A629-D631 VanDerWaalsContact C-N 3.32Å; A629-D631 PolarHBondContact O-N 3.02Å; A629-R632 VanDerWaalsContact O-CB 3.28Å; A629-R632 WeakPolarHBondContact O-CB 3.45Å; A629-R632 VanDerWaalsContact O-CG 3.26Å; A629-R632 WeakPolarHBondContact O-CG 3.24Å; A629-R632 PolarHBondContact O-N 2.69Å
630	E	88.8	Confident	81.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-40.6	174.4	-66.4	166.4	-141.7	0	0	112.2	R478 F616 L626 V627 R632 A633 Y634 I644 Y646	R478-E630 IonicContact CZ-OE2 2.57Å; R478-E630 IonicContact NE-OE1 2.79Å; R478-E630 IonicContact NE-OE2 4Å; R478-E630 PolarHBondContact NE-OE2 3.41Å; R478-E630 IonicContact NH2-OE2 3.93Å; R478-E630 PolarHBondContact NH2-OE2 2.94Å; F616-E630 HydrophobicContact CE2-CG 3.7Å; F616-E630 HydrophobicContact CZ-CG 3.9Å; L626-E630 VanDerWaalsContact O-CG 3.25Å; L626-E630 WeakPolarHBondContact O-CG 3.13Å; L626-E630 PolarHBondContact O-N 2.94Å; V627-E630 WeakPolarHBondContact O-CB 3.32Å; V627-E630 PolarHBondContact O-N 3.2Å; E630-R632 PolarHBondContact O-N 3.41Å; E630-A633 PolarHBondContact O-N 2.75Å; E630-A633 VanDerWaalsContact O-N 3.07Å; E630-Y634 PolarHBondContact O-N 3.04Å; E630-Y634 VanDerWaalsContact O-N 3.16Å; E630-I644 HydrophobicContact CB-CG1 4.21Å; E630-I644 HydrophobicContact CG-CG1 3.8Å; E630-I644 HydrophobicContact CG-CG2 3.9Å; E630-Y646 PolarHBondContact OE1-OH 2.87Å
631	D	85.3	Confident	81.4	Confident	48 Å²	48	44 Å²	44	26%	0.257	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-3.5	178.8	-68.9	-15.5	0	0	0	113.1	K476 V627 A629 A633 Y634	K476-D631 IonicContact NZ-OD1 3.45Å; K476-D631 PolarHBondContact NZ-OD1 3.13Å; V627-D631 VanDerWaalsContact O-CG 3.29Å; V627-D631 PolarHBondContact O-N 2.76Å; A629-D631 VanDerWaalsContact C-N 3.32Å; A629-D631 PolarHBondContact O-N 3.02Å; D631-A633 VanDerWaalsContact C-N 3.33Å; D631-Y634 CarbonylContact O-C 3.56Å
632	R	82.6	Confident	81.6	Confident	23 Å²	23	42.6 Å²	42.6	9%	0.087	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-36.6	167.6	-60.7	-49.3	92.7	-178.7	13.6	112	L544 F546 G603 L606 L608 Q628 A629 E630	L544-R632 HydrophobicContact CD1-CB 4.31Å; F546-R632 HydrophobicContact CZ-CG 4.16Å; G603-R632 PolarHBondContact O-NE 3.1Å; G603-R632 PolarHBondContact O-NH2 2.55Å; L606-R632 PolarHBondContact O-NH1 3.3Å; L608-R632 PolarHBondContact N-O 3.15Å; Q628-R632 PolarHBondContact O-NE 3.47Å; Q628-R632 PolarHBondContact O-NH2 2.83Å; Q628-R632 VanDerWaalsContact O-NH2 3.17Å; A629-R632 VanDerWaalsContact O-CB 3.28Å; A629-R632 WeakPolarHBondContact O-CB 3.45Å; A629-R632 VanDerWaalsContact O-CG 3.26Å; A629-R632 WeakPolarHBondContact O-CG 3.24Å; A629-R632 PolarHBondContact O-N 2.69Å; E630-R632 PolarHBondContact O-N 3.41Å
633	A	82.1	Confident	81.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-38	175.2	0	0	0	0	0	111.5	L544 V614 E630 D631 R635 Q638 V642	L544-A633 HydrophobicContact CD1-CB 3.92Å; V614-A633 HydrophobicContact CG2-CB 3.51Å; E630-A633 PolarHBondContact O-N 2.75Å; E630-A633 VanDerWaalsContact O-N 3.07Å; D631-A633 VanDerWaalsContact C-N 3.33Å; A633-R635 PolarHBondContact O-N 2.71Å; A633-Q638 WeakPolarHBondContact O-CB 3.31Å; A633-Q638 PolarHBondContact O-NE2 3.2Å; A633-Q638 VanDerWaalsContact O-NE2 3.12Å; A633-V642 HydrophobicContact CB-CG1 3.96Å; A633-V642 HydrophobicContact CB-CG2 4.48Å
634	Y	78.3	Confident	82.2	Confident	88 Å²	88	40.6 Å²	40.6	35%	0.345	22%	0.216	S	C	.	.	S	Bend	trans	-88.9	77.3	176.1	-174.7	-109.8	0	0	0	111.2	P475 K476 E630 D631 V642	P475-Y634 HydrophobicContact CB-CE2 3.51Å; P475-Y634 VanDerWaalsContact CB-OH 3.29Å; P475-Y634 WeakPolarHBondContact CB-OH 3.23Å; K476-Y634 HydrophobicContact CD-CD1 3.61Å; K476-Y634 HydrophobicContact CD-CD2 4.3Å; K476-Y634 HydrophobicContact CD-CE1 4.3Å; K476-Y634 HydrophobicContact CD-CG 3.6Å; K476-Y634 VanDerWaalsContact CE-CD1 3.41Å; K476-Y634 HydrophobicContact CG-CD1 4Å; K476-Y634 HydrophobicContact CG-CD2 3.82Å; K476-Y634 HydrophobicContact CG-CE1 4.46Å; K476-Y634 HydrophobicContact CG-CE2 4.33Å; K476-Y634 HydrophobicContact CG-CG 3.65Å; E630-Y634 PolarHBondContact O-N 3.04Å; E630-Y634 VanDerWaalsContact O-N 3.16Å; D631-Y634 CarbonylContact O-C 3.56Å; Y634-V642 HydrophobicContact CD2-CG2 4.12Å
635	R	77.8	Confident	82.6	Confident	87 Å²	87	41.2 Å²	41.2	33%	0.328	21%	0.21	S	C	.	.	S	Bend	trans	-137.4	164.4	-179.2	-153.1	154.4	-178.6	-157	-4.1	111.2	L606 H607 T609 A633 G637 Q638	L606-R635 PolarHBondContact O-NH1 3.17Å; H607-R635 PolarHBondContact CD2-NH1 2.77Å; H607-R635 PolarHBondContact CE1-NE 3.46Å; H607-R635 PolarHBondContact CE1-NH1 2.94Å; H607-R635 VanDerWaalsContact CE1-NH1 3.28Å; H607-R635 WeakPolarHBondContact ND1-CD 3.49Å; H607-R635 VanDerWaalsContact NE2-CZ 3.27Å; H607-R635 PolarHBondContact NE2-NH1 3.11Å; H607-R635 VanDerWaalsContact NE2-NH1 3.15Å; H607-R635 PolarHBondContact NE2-NH2 3.33Å; T609-R635 HydrophobicContact CG2-CB 4.24Å; A633-R635 PolarHBondContact O-N 2.71Å; R635-G637 PolarHBondContact O-N 3.34Å; R635-G637 VanDerWaalsContact O-N 3.17Å; R635-Q638 WeakPolarHBondContact O-CB 3.49Å; R635-Q638 PolarHBondContact O-N 2.89Å
636	I	71.8	Confident	83	Confident	168 Å²	168	40.4 Å²	40.4	86%	0.862	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	125	175.2	-61.5	172.6	0	0	0	109.6
637	G	68.3	Low	83.4	Confident	50 Å²	50	40.3 Å²	40.3	52%	0.515	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.7	-16.4	-173.1	0	0	0	0	0	113.8	R635 M639	R635-G637 PolarHBondContact O-N 3.34Å; R635-G637 VanDerWaalsContact O-N 3.17Å; G637-M639 PolarHBondContact O-N 3.49Å
638	Q	77.5	Confident	83.7	Confident	36 Å²	36	39.7 Å²	39.7	17%	0.168	20%	0.198	C	C	.	.			trans	-70.5	121.7	165	-176.2	56.8	-94.2	0	0	109	T609 A611 A633 R635 D640 V642	T609-Q638 HydrophobicContact CG2-CB 4.25Å; T609-Q638 PolarHBondContact O-NE2 3Å; T609-Q638 VanDerWaalsContact O-NE2 3.1Å; A611-Q638 PolarHBondContact O-NE2 3.47Å; A611-Q638 VanDerWaalsContact O-NE2 3.17Å; A633-Q638 WeakPolarHBondContact O-CB 3.31Å; A633-Q638 PolarHBondContact O-NE2 3.2Å; A633-Q638 VanDerWaalsContact O-NE2 3.12Å; R635-Q638 WeakPolarHBondContact O-CB 3.49Å; R635-Q638 PolarHBondContact O-N 2.89Å; Q638-D640 VanDerWaalsContact CG-O 3.3Å; Q638-D640 WeakPolarHBondContact CG-O 3.26Å; Q638-V642 HydrophobicContact CG-CG2 3.78Å
639	M	70.4	Confident	84.1	Confident	144 Å²	144	35.1 Å²	35.1	71%	0.709	18%	0.177	S	C	*	.			trans	-104.8	1.1	-177.6	-61.4	-59.8	-59.3	0	0	112.2	G637	G637-M639 PolarHBondContact O-N 3.49Å
640	D	77.2	Confident	84	Confident	39 Å²	39	38.5 Å²	38.5	21%	0.209	19%	0.193	C	C	.	.	S	Bend	trans	-130.3	158.3	-170.2	-165.5	21.2	0	0	0	112.3	K466 N612 Q638 V642	K466-D640 WeakPolarHBondContact CB-OD1 3.42Å; K466-D640 WeakPolarHBondContact CD-OD1 3.42Å; K466-D640 WeakPolarHBondContact CD-OD2 3.49Å; K466-D640 IonicContact NZ-OD1 3.46Å; K466-D640 IonicContact NZ-OD2 3.62Å; K466-D640 PolarHBondContact NZ-OD2 3.15Å; N612-D640 PolarHBondContact ND2-OD2 3.39Å; Q638-D640 VanDerWaalsContact CG-O 3.3Å; Q638-D640 WeakPolarHBondContact CG-O 3.26Å; D640-V642 PolarHBondContact O-N 3.49Å
641	S	82.3	Confident	83.9	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.014	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-67.7	129.5	173.5	177.4	0	0	0	0	110	K466 P474	K466-S641 PolarHBondContact NZ-O 3.26Å; P474-S641 PolarHBondContact O-OG 2.82Å
642	V	87.3	Confident	84.1	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.9	-178.5	-179.7	0	0	0	0	109.9	P475 K476 R477 V614 A633 Y634 Q638 D640 I644	P475-V642 PolarHBondContact O-N 3.25Å; K476-V642 WeakPolarHBondContact CA-O 3.39Å; K476-V642 HydrophobicContact CG-CB 4.35Å; R477-V642 PolarHBondContact N-O 3.31Å; V614-V642 HydrophobicContact CG2-CG1 4.1Å; A633-V642 HydrophobicContact CB-CG1 3.96Å; A633-V642 HydrophobicContact CB-CG2 4.48Å; Y634-V642 HydrophobicContact CD2-CG2 4.12Å; Q638-V642 HydrophobicContact CG-CG2 3.78Å; D640-V642 PolarHBondContact O-N 3.49Å; V642-I644 HydrophobicContact CB-CD1 4.49Å; V642-I644 HydrophobicContact CG1-CD1 3.97Å; V642-I644 HydrophobicContact CG1-CG1 4.41Å
643	L	88.9	Confident	84.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124	174.2	173.4	55	0	0	0	109.9	M268 R477 E479 N612 L613 V614 R645	M268-L643 HydrophobicContact CG-CD2 4.3Å; R477-L643 HydrophobicContact CB-CD1 4.4Å; E479-L643 HydrophobicContact CB-CD1 4.33Å; E479-L643 HydrophobicContact CG-CD1 3.58Å; E479-L643 VanDerWaalsContact OE1-CD1 3.29Å; E479-L643 WeakPolarHBondContact OE1-CD1 3.35Å; N612-L643 PolarHBondContact O-N 2.82Å; L613-L643 CarbonylContact C-O 3.59Å; L613-L643 WeakPolarHBondContact CA-O 3.46Å; L613-L643 HydrophobicContact CD1-CB 4.29Å; L613-L643 HydrophobicContact CD1-CD2 4.06Å; L613-L643 HydrophobicContact CD1-CG 3.92Å; V614-L643 PolarHBondContact N-O 2.92Å; L643-R645 HydrophobicContact CD1-CG 4.32Å; L643-R645 HydrophobicContact CG-CG 4.23Å
644	I	91.3	Very high	85.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132	177	-56.2	85.9	0	0	0	108.4	K476 R477 R478 E479 V614 F616 E630 V642 Y646	K476-I644 HydrophobicContact CB-CD1 3.9Å; K476-I644 HydrophobicContact CD-CD1 4.27Å; K476-I644 HydrophobicContact CG-CD1 4.09Å; R477-I644 WeakPolarHBondContact O-CD1 3.41Å; R477-I644 PolarHBondContact O-N 3.13Å; R478-I644 CarbonylContact C-O 3.49Å; R478-I644 WeakPolarHBondContact CA-O 3.28Å; R478-I644 HydrophobicContact CG-CB 4.06Å; R478-I644 HydrophobicContact CG-CD1 4.42Å; R478-I644 HydrophobicContact CG-CG2 4.48Å; E479-I644 PolarHBondContact N-O 2.99Å; V614-I644 HydrophobicContact CB-CG1 4.36Å; V614-I644 CarbonylContact O-C 3.6Å; V614-I644 WeakPolarHBondContact O-CA 3.45Å; F616-I644 HydrophobicContact CD2-CG2 3.93Å; F616-I644 HydrophobicContact CE2-CG2 3.72Å; E630-I644 HydrophobicContact CB-CG1 4.21Å; E630-I644 HydrophobicContact CG-CG1 3.8Å; E630-I644 HydrophobicContact CG-CG2 3.9Å; V642-I644 HydrophobicContact CB-CD1 4.49Å; V642-I644 HydrophobicContact CG1-CD1 3.97Å; V642-I644 HydrophobicContact CG1-CG1 4.41Å; I644-Y646 HydrophobicContact CG2-CD2 4.49Å; I644-Y646 HydrophobicContact CG2-CE1 4.22Å; I644-Y646 HydrophobicContact CG2-CE2 3.82Å
645	R	92.7	Very high	85.5	Confident	39 Å²	39	38.9 Å²	38.9	15%	0.147	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.4	178.1	-66	-171.5	169.8	160.7	-3.5	110.7	E479 V481 Y532 L613 V614 I615 F616 L643	E479-R645 HydrophobicContact CB-CG 4.25Å; E479-R645 WeakPolarHBondContact O-CA 3.33Å; E479-R645 IonicContact OE2-CZ 3.76Å; E479-R645 IonicContact OE2-NE 2.73Å; E479-R645 PolarHBondContact OE2-NE 3.45Å; E479-R645 IonicContact OE2-NH2 3.71Å; E479-R645 PolarHBondContact OE2-NH2 2.72Å; V481-R645 HydrophobicContact CG2-CB 4.2Å; V481-R645 HydrophobicContact CG2-CG 4.34Å; Y532-R645 WeakPolarHBondContact OH-CD 3.18Å; Y532-R645 PolarHBondContact OH-NH1 2.94Å; L613-R645 HydrophobicContact CD1-CG 4.13Å; V614-R645 PolarHBondContact O-N 3.48Å; I615-R645 CarbonylContact C-O 3.53Å; I615-R645 WeakPolarHBondContact CA-O 3.42Å; F616-R645 PolarHBondContact N-O 2.87Å; L643-R645 HydrophobicContact CD1-CG 4.32Å; L643-R645 HydrophobicContact CG-CG 4.23Å
646	Y	94.2	Very high	85.9	Confident	1 Å²	1	37.8 Å²	37.8	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122	171.1	-50.1	-90.8	0	0	0	108.9	R478 E479 L480 V481 F616 L619 L626 E630 I644 W658 F678	R478-Y646 HydrophobicContact CB-CE2 4.16Å; R478-Y646 HydrophobicContact CG-CE2 4.14Å; R478-Y646 PolarHBondContact NE-OH 3.15Å; E479-Y646 PolarHBondContact O-N 2.94Å; L480-Y646 HydrophobicContact CD2-CD2 4.26Å; V481-Y646 PolarHBondContact N-O 3.04Å; F616-Y646 HydrophobicContact CB-CD1 3.7Å; F616-Y646 HydrophobicContact CB-CE1 4.36Å; F616-Y646 HydrophobicContact CB-CG 4.49Å; F616-Y646 AromaticContact CD2-CD1 3.55Å; F616-Y646 HydrophobicContact CD2-CD1 3.55Å; F616-Y646 AromaticContact CD2-CE1 3.39Å; F616-Y646 HydrophobicContact CD2-CE1 3.39Å; F616-Y646 HydrophobicContact CD2-CG 4.48Å; F616-Y646 HydrophobicContact CE2-CD1 4.37Å; F616-Y646 AromaticContact CE2-CE1 3.75Å; F616-Y646 HydrophobicContact CE2-CE1 3.75Å; F616-Y646 AromaticContact CG-CD1 3.75Å; F616-Y646 HydrophobicContact CG-CD1 3.75Å; F616-Y646 AromaticContact CG-CE1 3.9Å; F616-Y646 HydrophobicContact CG-CE1 3.9Å; L619-Y646 HydrophobicContact CD1-CD1 3.93Å; L619-Y646 HydrophobicContact CD1-CG 4.39Å; L626-Y646 HydrophobicContact CD1-CE1 4.14Å; L626-Y646 HydrophobicContact CD2-CE1 4.39Å; E630-Y646 PolarHBondContact OE1-OH 2.87Å; I644-Y646 HydrophobicContact CG2-CD2 4.49Å; I644-Y646 HydrophobicContact CG2-CE1 4.22Å; I644-Y646 HydrophobicContact CG2-CE2 3.82Å; Y646-W658 HydrophobicContact CD2-CH2 4.16Å; Y646-W658 AromaticContact CD2-CZ3 3.94Å; Y646-W658 HydrophobicContact CD2-CZ3 3.94Å; Y646-W658 HydrophobicContact CE2-CH2 4.42Å; Y646-W658 HydrophobicContact CE2-CZ3 4.34Å; Y646-W658 HydrophobicContact CG-CZ3 4.13Å; Y646-F678 AromaticContact CE2-CE1 3.83Å; Y646-F678 HydrophobicContact CE2-CE1 3.83Å; Y646-F678 HydrophobicContact CE2-CZ 4.41Å; Y646-F678 AromaticContact CZ-CE1 3.97Å; Y646-F678 WeakPolarHBondContact OH-CZ 3.45Å
647	L	95.2	Very high	86.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	119.6	175.5	-52.4	-170.1	0	0	0	107.9	V481 L483 K525 I529 Y532 I615 F616	V481-L647 HydrophobicContact CB-CD2 3.73Å; V481-L647 HydrophobicContact CG1-CD2 4.06Å; V481-L647 HydrophobicContact CG2-CD2 4.23Å; L483-L647 HydrophobicContact CD1-CB 4.12Å; L483-L647 HydrophobicContact CD2-CB 4.18Å; L483-L647 HydrophobicContact CD2-CD1 4.26Å; L483-L647 HydrophobicContact CG-CB 4.13Å; K525-L647 PolarHBondContact NZ-O 3.16Å; I529-L647 HydrophobicContact CG1-CD1 4.24Å; I529-L647 HydrophobicContact CG2-CD1 4.21Å; Y532-L647 HydrophobicContact CD1-CD1 3.71Å; Y532-L647 HydrophobicContact CD1-CD2 3.81Å; Y532-L647 HydrophobicContact CD1-CG 4.43Å; Y532-L647 HydrophobicContact CE1-CD1 4.22Å; Y532-L647 HydrophobicContact CE1-CD2 3.57Å; Y532-L647 HydrophobicContact CE2-CD2 4.45Å; Y532-L647 HydrophobicContact CG-CD1 4.3Å; Y532-L647 HydrophobicContact CG-CD2 4.33Å; I615-L647 HydrophobicContact CG2-CD1 3.87Å; I615-L647 HydrophobicContact CG2-CD2 4.07Å; I615-L647 HydrophobicContact CG2-CG 3.82Å; F616-L647 WeakPolarHBondContact O-CB 3.35Å; F616-L647 WeakPolarHBondContact O-CG 3.39Å; F616-L647 PolarHBondContact O-N 2.94Å
648	I	93.2	Very high	87.8	Confident	12 Å²	12	27.7 Å²	27.7	6%	0.062	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.7	-179.5	60.4	167.4	0	0	0	111	L480 V481 V482 L483 L619 D654	L480-I648 HydrophobicContact CB-CD1 4.21Å; L480-I648 HydrophobicContact CD1-CD1 3.92Å; L480-I648 HydrophobicContact CD2-CD1 4.24Å; L480-I648 HydrophobicContact CD2-CG2 4.18Å; L480-I648 HydrophobicContact CG-CD1 4.37Å; V481-I648 PolarHBondContact O-N 3.25Å; V482-I648 HydrophobicContact CG2-CD1 3.99Å; V482-I648 HydrophobicContact CG2-CG1 4.06Å; L483-I648 WeakPolarHBondContact CB-O 2.95Å; L483-I648 PolarHBondContact N-O 3.35Å; L619-I648 HydrophobicContact CD2-CG2 4.39Å; I648-D654 VanDerWaalsContact CA-OD2 3.29Å; I648-D654 WeakPolarHBondContact CA-OD2 3.43Å; I648-D654 HydrophobicContact CB-CB 4.15Å; I648-D654 HydrophobicContact CG2-CB 4.28Å
649	A	92	Very high	88.2	Confident	1 Å²	1	28 Å²	28	1%	0.008	14%	0.136	C	C	.	.			trans	-126.9	130.3	177.6	0	0	0	0	0	110.9	I488 K525 T652 D654	I488-A649 HydrophobicContact CD1-CB 3.45Å; I488-A649 VanDerWaalsContact CD1-CB 3.45Å; K525-A649 HydrophobicContact CD-CB 3.93Å; K525-A649 HydrophobicContact CG-CB 3.74Å; A649-T652 HydrophobicContact CB-CG2 3.55Å; A649-T652 PolarHBondContact O-OG1 2.91Å; A649-D654 PolarHBondContact N-OD2 2.88Å
650	E	87	Confident	88.8	Confident	71 Å²	71	22.6 Å²	22.6	33%	0.332	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	147.1	173.6	-63.4	175.4	-173.4	0	0	110.8	R302 V482 T652	R302-E650 IonicContact CZ-OE1 3.39Å; R302-E650 IonicContact NH2-OE1 3.11Å; R302-E650 PolarHBondContact NH2-OE1 2.8Å; V482-E650 HydrophobicContact CG1-CG 4.29Å; E650-T652 VanDerWaalsContact C-N 3.3Å; E650-T652 PolarHBondContact O-N 2.91Å
651	Q	85.8	Confident	89.1	Confident	142 Å²	142	20.8 Å²	20.8	66%	0.664	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	31.8	-179.2	-57.5	170	58.4	0	0	113.8	Y517 D655	Y517-Q651 PolarHBondContact OH-O 3.32Å; Q651-D655 VanDerWaalsContact CA-OD2 3.32Å; Q651-D655 WeakPolarHBondContact CA-OD2 3.2Å; Q651-D655 PolarHBondContact N-OD2 3.45Å
652	T	91	Very high	89	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-125.8	-179.5	176.7	74.4	0	0	0	0	111.6	L493 Y517 T521 V524 A649 E650 D654 D655	L493-T652 HydrophobicContact CD1-CG2 4.24Å; L493-T652 HydrophobicContact CD2-CG2 4.46Å; Y517-T652 WeakPolarHBondContact OH-CA 3.3Å; Y517-T652 PolarHBondContact OH-O 3Å; T521-T652 HydrophobicContact CG2-CG2 4.32Å; V524-T652 HydrophobicContact CG2-CG2 4.47Å; A649-T652 HydrophobicContact CB-CG2 3.55Å; A649-T652 PolarHBondContact O-OG1 2.91Å; E650-T652 VanDerWaalsContact C-N 3.3Å; E650-T652 PolarHBondContact O-N 2.91Å; T652-D654 PolarHBondContact O-N 3.36Å; T652-D654 VanDerWaalsContact O-N 3.1Å; T652-D654 WeakPolarHBondContact OG1-CB 3.35Å; T652-D654 PolarHBondContact OG1-N 2.92Å; T652-D654 PolarHBondContact OG1-OD2 2.95Å; T652-D655 WeakPolarHBondContact O-CB 3.49Å; T652-D655 PolarHBondContact O-N 3.32Å
653	A	91.3	Very high	88.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-24.3	173.7	0	0	0	0	0	112.4	Y517 T521 D655 F656 I657	Y517-A653 HydrophobicContact CD1-CB 3.78Å; Y517-A653 HydrophobicContact CD2-CB 4.25Å; Y517-A653 HydrophobicContact CE1-CB 4.15Å; Y517-A653 HydrophobicContact CG-CB 3.84Å; Y517-A653 VanDerWaalsContact CZ-N 3.32Å; T521-A653 HydrophobicContact CG2-CB 4.34Å; T521-A653 VanDerWaalsContact OG1-CB 3.23Å; T521-A653 WeakPolarHBondContact OG1-CB 3.31Å; T521-A653 PolarHBondContact OG1-N 3.21Å; A653-D655 PolarHBondContact O-N 3.48Å; A653-D655 VanDerWaalsContact O-N 3.13Å; A653-F656 PolarHBondContact O-N 2.99Å; A653-I657 HydrophobicContact CB-CD1 3.9Å; A653-I657 VanDerWaalsContact O-CG1 3.31Å; A653-I657 WeakPolarHBondContact O-CG1 3.25Å; A653-I657 PolarHBondContact O-N 3.46Å
654	D	92.8	Very high	87.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.3	-28	175.6	-61.9	-30.6	0	0	0	112.2	K525 I648 A649 T652 F656 W658 R686	K525-D654 WeakPolarHBondContact CE-OD2 3.25Å; K525-D654 IonicContact NZ-OD1 3.26Å; K525-D654 PolarHBondContact NZ-OD1 3.44Å; K525-D654 IonicContact NZ-OD2 2.82Å; K525-D654 PolarHBondContact NZ-OD2 3.01Å; I648-D654 VanDerWaalsContact CA-OD2 3.29Å; I648-D654 WeakPolarHBondContact CA-OD2 3.43Å; I648-D654 HydrophobicContact CB-CB 4.15Å; I648-D654 HydrophobicContact CG2-CB 4.28Å; A649-D654 PolarHBondContact N-OD2 2.88Å; T652-D654 PolarHBondContact O-N 3.36Å; T652-D654 VanDerWaalsContact O-N 3.1Å; T652-D654 WeakPolarHBondContact OG1-CB 3.35Å; T652-D654 PolarHBondContact OG1-N 2.92Å; T652-D654 PolarHBondContact OG1-OD2 2.95Å; D654-F656 VanDerWaalsContact C-N 3.26Å; D654-F656 PolarHBondContact O-N 2.97Å; D654-W658 VanDerWaalsContact O-CB 3.26Å; D654-W658 WeakPolarHBondContact O-CB 3.23Å; D654-W658 PolarHBondContact O-N 3.24Å; D654-R686 PolarHBondContact O-NH2 2.71Å
655	D	88.2	Confident	86.9	Confident	25 Å²	25	33.2 Å²	33.2	13%	0.134	15%	0.151	C	C	.	.	H	α-helix	trans	-67.5	-28.8	176.6	-75.1	-27.8	0	0	0	112.7	Q651 T652 A653 P659 R686	Q651-D655 VanDerWaalsContact CA-OD2 3.32Å; Q651-D655 WeakPolarHBondContact CA-OD2 3.2Å; Q651-D655 PolarHBondContact N-OD2 3.45Å; T652-D655 WeakPolarHBondContact O-CB 3.49Å; T652-D655 PolarHBondContact O-N 3.32Å; A653-D655 PolarHBondContact O-N 3.48Å; A653-D655 VanDerWaalsContact O-N 3.13Å; D655-P659 WeakPolarHBondContact O-CD 3.21Å; D655-P659 WeakPolarHBondContact O-CG 3.46Å; D655-R686 PolarHBondContact O-NH1 3.33Å; D655-R686 IonicContact OD1-CZ 2.71Å; D655-R686 IonicContact OD1-NE 3.32Å; D655-R686 IonicContact OD1-NH1 2.71Å; D655-R686 IonicContact OD1-NH2 3Å; D655-R686 PolarHBondContact OD1-NH2 3.19Å
656	F	85.7	Confident	85.9	Confident	63 Å²	63	32.5 Å²	32.5	28%	0.276	15%	0.15	S	C	.	.	H	α-helix	trans	-93.3	-39.3	177.8	-61.6	-94.6	0	0	0	111.5	M500 L501 Y517 A653 D654 L660	M500-F656 HydrophobicContact CB-CE1 4.09Å; M500-F656 HydrophobicContact CB-CZ 4.06Å; L501-F656 HydrophobicContact CD2-CE1 3.88Å; L501-F656 HydrophobicContact CD2-CZ 3.97Å; L501-F656 HydrophobicContact CG-CE1 4.44Å; L501-F656 HydrophobicContact CG-CZ 4.2Å; Y517-F656 AromaticContact CE1-CD2 3.86Å; Y517-F656 HydrophobicContact CE1-CD2 3.86Å; Y517-F656 AromaticContact CE1-CE2 3.75Å; Y517-F656 HydrophobicContact CE1-CE2 3.75Å; A653-F656 PolarHBondContact O-N 2.99Å; D654-F656 VanDerWaalsContact C-N 3.26Å; D654-F656 PolarHBondContact O-N 2.97Å; F656-L660 WeakPolarHBondContact O-CD1 3.34Å; F656-L660 VanDerWaalsContact O-CG 3.3Å; F656-L660 WeakPolarHBondContact O-CG 3.3Å
657	I	90.1	Very high	84.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-72.5	-42.4	-175.6	-62.6	167.9	0	0	0	111.4	L514 F518 L619 W621 A653 L660 V661	L514-I657 HydrophobicContact CD1-CG1 4.28Å; F518-I657 HydrophobicContact CD2-CD1 3.57Å; F518-I657 HydrophobicContact CE2-CD1 4.12Å; F518-I657 HydrophobicContact CG-CD1 4.28Å; L619-I657 HydrophobicContact CD2-CB 4.04Å; L619-I657 HydrophobicContact CD2-CG2 3.76Å; L619-I657 HydrophobicContact CG-CB 4.47Å; L619-I657 HydrophobicContact CG-CG2 3.74Å; W621-I657 HydrophobicContact CB-CG2 4.18Å; A653-I657 HydrophobicContact CB-CD1 3.9Å; A653-I657 VanDerWaalsContact O-CG1 3.31Å; A653-I657 WeakPolarHBondContact O-CG1 3.25Å; A653-I657 PolarHBondContact O-N 3.46Å; I657-L660 WeakPolarHBondContact O-CB 3.4Å; I657-L660 PolarHBondContact O-N 3Å; I657-L660 VanDerWaalsContact O-N 3.09Å; I657-V661 HydrophobicContact CG2-CG2 3.85Å; I657-V661 WeakPolarHBondContact O-CG2 3.02Å; I657-V661 PolarHBondContact O-N 3.4Å
658	W	89.3	Confident	83.4	Confident	7 Å²	7	39.5 Å²	39.5	3%	0.027	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-47.6	-176	179.1	-99	0	0	0	113.6	L480 L619 Y646 D654 L660 V661 E662 F678 A681	L480-W658 HydrophobicContact CD1-CD2 4.07Å; L480-W658 VanDerWaalsContact CD1-CE2 3.43Å; L480-W658 HydrophobicContact CD1-CH2 4.18Å; L480-W658 HydrophobicContact CD1-CZ2 3.5Å; L480-W658 HydrophobicContact CD2-CD2 3.98Å; L480-W658 HydrophobicContact CD2-CE3 3.78Å; L480-W658 HydrophobicContact CD2-CH2 3.33Å; L480-W658 HydrophobicContact CD2-CZ2 3.59Å; L480-W658 HydrophobicContact CD2-CZ3 3.46Å; L480-W658 VanDerWaalsContact CD2-CZ3 3.46Å; L480-W658 HydrophobicContact CG-CH2 3.89Å; L480-W658 HydrophobicContact CG-CZ2 3.7Å; L480-W658 HydrophobicContact CG-CZ3 4.46Å; L619-W658 HydrophobicContact CD1-CE3 3.93Å; L619-W658 HydrophobicContact CD1-CZ3 4.2Å; L619-W658 HydrophobicContact CD2-CB 3.74Å; L619-W658 HydrophobicContact CD2-CE3 3.83Å; Y646-W658 HydrophobicContact CD2-CH2 4.16Å; Y646-W658 AromaticContact CD2-CZ3 3.94Å; Y646-W658 HydrophobicContact CD2-CZ3 3.94Å; Y646-W658 HydrophobicContact CE2-CH2 4.42Å; Y646-W658 HydrophobicContact CE2-CZ3 4.34Å; Y646-W658 HydrophobicContact CG-CZ3 4.13Å; D654-W658 VanDerWaalsContact O-CB 3.26Å; D654-W658 WeakPolarHBondContact O-CB 3.23Å; D654-W658 PolarHBondContact O-N 3.24Å; W658-L660 VanDerWaalsContact C-N 3.26Å; W658-L660 PolarHBondContact O-N 3.44Å; W658-V661 PolarHBondContact O-N 3.33Å; W658-E662 WeakPolarHBondContact O-CB 3.08Å; W658-E662 PolarHBondContact O-N 3.07Å; W658-F678 AromaticContact CH2-CD1 3.46Å; W658-F678 HydrophobicContact CH2-CD1 3.46Å; W658-F678 VanDerWaalsContact CH2-CD1 3.46Å; W658-F678 AromaticContact CH2-CE1 3.65Å; W658-F678 HydrophobicContact CH2-CE1 3.65Å; W658-F678 AromaticContact CZ2-CD1 4Å; W658-F678 HydrophobicContact CZ2-CD1 4Å; W658-F678 HydrophobicContact CZ3-CD1 4.21Å; W658-F678 HydrophobicContact CZ3-CE1 4.03Å; W658-A681 HydrophobicContact CH2-CB 4.33Å; W658-A681 HydrophobicContact CZ2-CB 4.3Å
659	P	85.4	Confident	82	Confident	42 Å²	42	40.2 Å²	40.2	27%	0.273	20%	0.196	S	C	.	.	H	α-helix	trans	-60.2	-33.9	173.5	-24.6	35.1	0	0	0	113.7	D655 R663	D655-P659 WeakPolarHBondContact O-CD 3.21Å; D655-P659 WeakPolarHBondContact O-CG 3.46Å; P659-R663 VanDerWaalsContact O-CB 3.29Å; P659-R663 WeakPolarHBondContact O-CB 3.5Å; P659-R663 PolarHBondContact O-N 3.4Å
660	L	83.6	Confident	80.7	Confident	31 Å²	31	48.2 Å²	48.2	16%	0.162	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-47.3	175.9	-70.1	168.7	0	0	0	111.2	F656 I657 W658 R663 K664 W845	F656-L660 WeakPolarHBondContact O-CD1 3.34Å; F656-L660 VanDerWaalsContact O-CG 3.3Å; F656-L660 WeakPolarHBondContact O-CG 3.3Å; I657-L660 WeakPolarHBondContact O-CB 3.4Å; I657-L660 PolarHBondContact O-N 3Å; I657-L660 VanDerWaalsContact O-N 3.09Å; W658-L660 VanDerWaalsContact C-N 3.26Å; W658-L660 PolarHBondContact O-N 3.44Å; L660-R663 PolarHBondContact O-N 2.89Å; L660-K664 WeakPolarHBondContact O-CB 3.25Å; L660-K664 WeakPolarHBondContact O-CG 3.41Å; L660-K664 PolarHBondContact O-N 3.36Å; L660-W845 HydrophobicContact CD2-CH2 4.35Å; L660-W845 HydrophobicContact CD2-CZ3 4.3Å
661	V	84.3	Confident	79.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-49.2	177.9	170.8	0	0	0	0	110	F620 L626 I657 W658 R663 K664 L665	F620-V661 WeakPolarHBondContact O-CG2 3.26Å; L626-V661 HydrophobicContact CD1-CG1 3.94Å; L626-V661 HydrophobicContact CD1-CG2 4.45Å; I657-V661 HydrophobicContact CG2-CG2 3.85Å; I657-V661 WeakPolarHBondContact O-CG2 3.02Å; I657-V661 PolarHBondContact O-N 3.4Å; W658-V661 PolarHBondContact O-N 3.33Å; V661-R663 PolarHBondContact O-N 3.33Å; V661-K664 PolarHBondContact O-N 3.31Å; V661-L665 HydrophobicContact CG1-CD1 3.46Å; V661-L665 VanDerWaalsContact CG1-CD1 3.46Å; V661-L665 WeakPolarHBondContact O-CB 3.37Å; V661-L665 WeakPolarHBondContact O-CD1 3.32Å; V661-L665 WeakPolarHBondContact O-CG 3.21Å; V661-L665 PolarHBondContact O-N 2.73Å
662	E	79.9	Confident	77.7	Confident	52 Å²	52	43.9 Å²	43.9	24%	0.243	24%	0.237	C	C	.	.	H	α-helix	trans	-58	-47.3	178	-173.5	171.5	-145.6	0	0	111.8	W658 L665 D666 F678	W658-E662 WeakPolarHBondContact O-CB 3.08Å; W658-E662 PolarHBondContact O-N 3.07Å; E662-L665 PolarHBondContact O-N 3.3Å; E662-D666 PolarHBondContact O-N 3.4Å; E662-F678 HydrophobicContact CG-CB 4.25Å
663	R	76.9	Confident	75.6	Confident	151 Å²	151	50.6 Å²	50.6	57%	0.57	27%	0.272	S	S	*	.	H	α-helix	trans	-63.2	-46.5	178.4	-168.2	-173.2	-55.1	121.8	3.5	112.3	P659 L660 V661 L665 D666 V667	P659-R663 VanDerWaalsContact O-CB 3.29Å; P659-R663 WeakPolarHBondContact O-CB 3.5Å; P659-R663 PolarHBondContact O-N 3.4Å; L660-R663 PolarHBondContact O-N 2.89Å; V661-R663 PolarHBondContact O-N 3.33Å; R663-L665 VanDerWaalsContact C-N 3.28Å; R663-L665 PolarHBondContact O-N 3.13Å; R663-D666 PolarHBondContact O-N 2.7Å; R663-V667 WeakPolarHBondContact O-CG2 3.34Å; R663-V667 PolarHBondContact O-N 2.72Å
664	K	76	Confident	73.6	Confident	60 Å²	60	51.8 Å²	51.8	26%	0.261	28%	0.278	S	S	.	.	H	α-helix	trans	-63.5	-35.8	-180	-74.2	-174.6	175	-168.2	0	111.8	P623 L660 V661 V667 L668	P623-K664 HydrophobicContact CG-CB 3.81Å; P623-K664 HydrophobicContact CG-CD 4.31Å; L660-K664 WeakPolarHBondContact O-CB 3.25Å; L660-K664 WeakPolarHBondContact O-CG 3.41Å; L660-K664 PolarHBondContact O-N 3.36Å; V661-K664 PolarHBondContact O-N 3.31Å; K664-V667 PolarHBondContact O-N 3.29Å; K664-L668 WeakPolarHBondContact O-CG 3.47Å; K664-L668 PolarHBondContact O-N 3.12Å
665	L	70.5	Confident	71.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-72.4	-38.5	175.6	-77	145.8	0	0	0	112.5	P623 V627 V661 E662 R663 V667 L668 S669 F678	P623-L665 HydrophobicContact CB-CD1 3.53Å; P623-L665 HydrophobicContact CB-CD2 3.81Å; P623-L665 HydrophobicContact CB-CG 3.49Å; P623-L665 VanDerWaalsContact CB-CG 3.49Å; P623-L665 HydrophobicContact CG-CG 4.34Å; V627-L665 HydrophobicContact CG2-CD2 4.06Å; V661-L665 HydrophobicContact CG1-CD1 3.46Å; V661-L665 VanDerWaalsContact CG1-CD1 3.46Å; V661-L665 WeakPolarHBondContact O-CB 3.37Å; V661-L665 WeakPolarHBondContact O-CD1 3.32Å; V661-L665 WeakPolarHBondContact O-CG 3.21Å; V661-L665 PolarHBondContact O-N 2.73Å; E662-L665 PolarHBondContact O-N 3.3Å; R663-L665 VanDerWaalsContact C-N 3.28Å; R663-L665 PolarHBondContact O-N 3.13Å; L665-V667 VanDerWaalsContact C-N 3.28Å; L665-V667 PolarHBondContact O-N 3.34Å; L665-L668 HydrophobicContact CD2-CD1 4.38Å; L665-L668 PolarHBondContact O-N 2.96Å; L665-S669 WeakPolarHBondContact O-CB 3.4Å; L665-S669 PolarHBondContact O-N 3.36Å; L665-S669 PolarHBondContact O-OG 3.1Å; L665-F678 HydrophobicContact CB-CD2 3.64Å; L665-F678 HydrophobicContact CB-CE2 4.03Å; L665-F678 HydrophobicContact CD1-CD2 3.31Å; L665-F678 HydrophobicContact CD1-CE1 4.19Å; L665-F678 HydrophobicContact CD1-CE2 2.93Å; L665-F678 HydrophobicContact CD1-CG 4.1Å; L665-F678 HydrophobicContact CD1-CZ 3.4Å; L665-F678 HydrophobicContact CD2-CD2 4.12Å; L665-F678 HydrophobicContact CD2-CE2 3.66Å; L665-F678 HydrophobicContact CG-CD2 3.82Å; L665-F678 HydrophobicContact CG-CE2 3.65Å
666	D	72.1	Confident	69.5	Low	24 Å²	24	64.5 Å²	64.5	13%	0.128	33%	0.326	C	S	.	.	H	α-helix	trans	-58.5	-42	170.3	-95.3	29.2	0	0	0	110.4	E662 R663 S669 K670 T677 R679	E662-D666 PolarHBondContact O-N 3.4Å; R663-D666 PolarHBondContact O-N 2.7Å; D666-S669 WeakPolarHBondContact CA-OG 3.44Å; D666-S669 PolarHBondContact O-N 2.91Å; D666-S669 PolarHBondContact O-OG 3.03Å; D666-K670 WeakPolarHBondContact O-CG 3.37Å; D666-K670 PolarHBondContact O-N 3.46Å; D666-T677 WeakPolarHBondContact OD1-CG2 3.49Å; D666-R679 IonicContact OD2-CZ 3.66Å; D666-R679 IonicContact OD2-NE 3.99Å; D666-R679 PolarHBondContact OD2-NE 3.21Å; D666-R679 VanDerWaalsContact OD2-NE 3.16Å; D666-R679 IonicContact OD2-NH2 2.91Å; D666-R679 PolarHBondContact OD2-NH2 3.13Å
667	V	71.7	Confident	67.7	Low	89 Å²	89	64 Å²	64	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-49.9	175.3	172.6	0	0	0	0	112	R663 K664 L665 S669 K670 A671	R663-V667 WeakPolarHBondContact O-CG2 3.34Å; R663-V667 PolarHBondContact O-N 2.72Å; K664-V667 PolarHBondContact O-N 3.29Å; L665-V667 VanDerWaalsContact C-N 3.28Å; L665-V667 PolarHBondContact O-N 3.34Å; V667-S669 PolarHBondContact O-N 3.06Å; V667-K670 PolarHBondContact O-N 2.69Å; V667-K670 VanDerWaalsContact O-N 3.15Å; V667-A671 PolarHBondContact O-N 2.82Å
668	L	65.4	Low	65.7	Low	60 Å²	60	64 Å²	64	31%	0.314	33%	0.329	S	S	.	.	H	α-helix	trans	-57.5	-32.9	175.7	-71.5	171.1	0	0	0	111.7	P623 K664 L665 L673 N674	P623-L668 HydrophobicContact CG-CD1 4.28Å; K664-L668 WeakPolarHBondContact O-CG 3.47Å; K664-L668 PolarHBondContact O-N 3.12Å; L665-L668 HydrophobicContact CD2-CD1 4.38Å; L665-L668 PolarHBondContact O-N 2.96Å; L668-L673 HydrophobicContact CD2-CD1 4.45Å; L668-L673 PolarHBondContact O-N 3.49Å; L668-L673 VanDerWaalsContact O-N 3.15Å; L668-N674 HydrophobicContact CB-CB 3.99Å; L668-N674 PolarHBondContact O-N 3.05Å
669	S	62.1	Low	63.4	Low	26 Å²	26	71 Å²	71	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-74.5	-39.3	177.1	77.8	0	0	0	0	114.4	L665 D666 V667 A671 G672 N674	L665-S669 WeakPolarHBondContact O-CB 3.4Å; L665-S669 PolarHBondContact O-N 3.36Å; L665-S669 PolarHBondContact O-OG 3.1Å; D666-S669 WeakPolarHBondContact CA-OG 3.44Å; D666-S669 PolarHBondContact O-N 2.91Å; D666-S669 PolarHBondContact O-OG 3.03Å; V667-S669 PolarHBondContact O-N 3.06Å; S669-A671 VanDerWaalsContact C-N 3.3Å; S669-A671 PolarHBondContact O-N 3.23Å; S669-G672 PolarHBondContact O-N 3.22Å; S669-N674 WeakPolarHBondContact CA-O 3.42Å; S669-N674 WeakPolarHBondContact CB-O 2.95Å
670	K	65.2	Low	61.1	Low	169 Å²	169	76.3 Å²	76.3	74%	0.735	38%	0.378	S	S	*	.	H	α-helix	trans	-64.2	-34.9	173.9	-73.7	176.9	179.7	-176.6	0	112.2	D666 V667 G672	D666-K670 WeakPolarHBondContact O-CG 3.37Å; D666-K670 PolarHBondContact O-N 3.46Å; V667-K670 PolarHBondContact O-N 2.69Å; V667-K670 VanDerWaalsContact O-N 3.15Å; K670-G672 PolarHBondContact O-N 3.16Å
671	A	54.4	Low	59.1	Low	64 Å²	64	75 Å²	75	53%	0.529	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-2.5	174.1	0	0	0	0	0	113.7	V667 S669 L673	V667-A671 PolarHBondContact O-N 2.82Å; S669-A671 VanDerWaalsContact C-N 3.3Å; S669-A671 PolarHBondContact O-N 3.23Å; A671-L673 HydrophobicContact CB-CD1 4.02Å; A671-L673 HydrophobicContact CB-CG 4.03Å; A671-L673 PolarHBondContact O-N 3.46Å; A671-L673 VanDerWaalsContact O-N 3.17Å
672	G	55.9	Low	57.2	Low	58 Å²	58	77 Å²	77	60%	0.598	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	0.7	-176.3	0	0	0	0	0	114.4	S669 K670 N674	S669-G672 PolarHBondContact O-N 3.22Å; K670-G672 PolarHBondContact O-N 3.16Å; G672-N674 VanDerWaalsContact C-N 3.34Å
673	L	47.6	Very low	55	Low	142 Å²	142	75.4 Å²	75.4	74%	0.743	38%	0.377	S	S	*	.	S	Bend	trans	-76.8	-22.4	179.9	-62.5	174	0	0	0	112.2	L668 A671	L668-L673 HydrophobicContact CD2-CD1 4.45Å; L668-L673 PolarHBondContact O-N 3.49Å; L668-L673 VanDerWaalsContact O-N 3.15Å; A671-L673 HydrophobicContact CB-CD1 4.02Å; A671-L673 HydrophobicContact CB-CG 4.03Å; A671-L673 PolarHBondContact O-N 3.46Å; A671-L673 VanDerWaalsContact O-N 3.17Å
674	N	47.6	Very low	52.8	Low	24 Å²	24	69.3 Å²	69.3	13%	0.128	36%	0.357	C	S	.	.			trans	-136.9	113.1	175.2	-170.1	1.7	0	0	0	111.6	L668 S669 G672 E676	L668-N674 HydrophobicContact CB-CB 3.99Å; L668-N674 PolarHBondContact O-N 3.05Å; S669-N674 WeakPolarHBondContact CA-O 3.42Å; S669-N674 WeakPolarHBondContact CB-O 2.95Å; G672-N674 VanDerWaalsContact C-N 3.34Å; N674-E676 PolarHBondContact O-N 3.09Å; N674-E676 VanDerWaalsContact O-N 3.16Å; N674-E676 WeakPolarHBondContact OD1-CB 3.27Å; N674-E676 PolarHBondContact OD1-N 3.44Å
675	R	47.8	Very low	50.6	Low	244 Å²	244	72.1 Å²	72.1	92%	0.921	38%	0.379	S	S	*	.			trans	-74.1	-1.1	176.6	-71	-174.8	171.2	-175.5	-2.8	113.8
676	E	48.6	Very low	48.7	Very low	48 Å²	48	76.5 Å²	76.5	22%	0.224	40%	0.395	C	S	.	.			trans	-102.9	109.5	-174.5	-55	-179.9	-169.1	0	0	111.2	K476 R478 N674	K476-E676 VanDerWaalsContact CE-CD 3.46Å; K476-E676 WeakPolarHBondContact CE-OE1 3.3Å; K476-E676 VanDerWaalsContact CE-OE2 3.27Å; K476-E676 WeakPolarHBondContact CE-OE2 3.49Å; K476-E676 IonicContact NZ-OE1 2.72Å; K476-E676 PolarHBondContact NZ-OE1 3.23Å; K476-E676 IonicContact NZ-OE2 2.83Å; K476-E676 PolarHBondContact NZ-OE2 3.46Å; R478-E676 IonicContact CZ-OE2 3.49Å; R478-E676 VanDerWaalsContact CZ-OE2 3.23Å; R478-E676 IonicContact NH1-OE2 3.53Å; R478-E676 PolarHBondContact NH1-OE2 3.5Å; R478-E676 IonicContact NH2-OE2 3.93Å; R478-E676 PolarHBondContact NH2-OE2 3.01Å; N674-E676 PolarHBondContact O-N 3.09Å; N674-E676 VanDerWaalsContact O-N 3.16Å; N674-E676 WeakPolarHBondContact OD1-CB 3.27Å; N674-E676 PolarHBondContact OD1-N 3.44Å
677	T	46.8	Very low	46.7	Very low	53 Å²	53	82.4 Å²	82.4	33%	0.325	43%	0.426	S	S	.	.			trans	-92.9	138.3	174.9	-40	0	0	0	0	110.6	D666 R679	D666-T677 WeakPolarHBondContact OD1-CG2 3.49Å; T677-R679 HydrophobicContact CG2-CB 4.1Å; T677-R679 HydrophobicContact CG2-CG 3.77Å; T677-R679 PolarHBondContact O-N 3.43Å
678	F	49	Very low	44.6	Very low	0 Å²	0	81 Å²	81	0%	0	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-73.4	-6.9	177	-91.3	-107.2	0	0	0	114.1	R478 Y646 W658 E662 L665 M680 A681	R478-F678 VanDerWaalsContact CD-CE1 3.48Å; Y646-F678 AromaticContact CE2-CE1 3.83Å; Y646-F678 HydrophobicContact CE2-CE1 3.83Å; Y646-F678 HydrophobicContact CE2-CZ 4.41Å; Y646-F678 AromaticContact CZ-CE1 3.97Å; Y646-F678 WeakPolarHBondContact OH-CZ 3.45Å; W658-F678 AromaticContact CH2-CD1 3.46Å; W658-F678 HydrophobicContact CH2-CD1 3.46Å; W658-F678 VanDerWaalsContact CH2-CD1 3.46Å; W658-F678 AromaticContact CH2-CE1 3.65Å; W658-F678 HydrophobicContact CH2-CE1 3.65Å; W658-F678 AromaticContact CZ2-CD1 4Å; W658-F678 HydrophobicContact CZ2-CD1 4Å; W658-F678 HydrophobicContact CZ3-CD1 4.21Å; W658-F678 HydrophobicContact CZ3-CE1 4.03Å; E662-F678 HydrophobicContact CG-CB 4.25Å; L665-F678 HydrophobicContact CB-CD2 3.64Å; L665-F678 HydrophobicContact CB-CE2 4.03Å; L665-F678 HydrophobicContact CD1-CD2 3.31Å; L665-F678 HydrophobicContact CD1-CE1 4.19Å; L665-F678 HydrophobicContact CD1-CE2 2.93Å; L665-F678 HydrophobicContact CD1-CG 4.1Å; L665-F678 HydrophobicContact CD1-CZ 3.4Å; L665-F678 HydrophobicContact CD2-CD2 4.12Å; L665-F678 HydrophobicContact CD2-CE2 3.66Å; L665-F678 HydrophobicContact CG-CD2 3.82Å; L665-F678 HydrophobicContact CG-CE2 3.65Å; F678-M680 PolarHBondContact O-N 2.94Å; F678-A681 HydrophobicContact CD1-CB 4Å; F678-A681 WeakPolarHBondContact O-CA 3.44Å; F678-A681 WeakPolarHBondContact O-CB 3.41Å; F678-A681 PolarHBondContact O-N 3.02Å
679	R	41.2	Very low	42.8	Very low	153 Å²	153	81.9 Å²	81.9	58%	0.577	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-57	-21.7	177.1	-68.5	179.9	-171.5	-154.4	-2.5	113.6	D666 T677	D666-R679 IonicContact OD2-CZ 3.66Å; D666-R679 IonicContact OD2-NE 3.99Å; D666-R679 PolarHBondContact OD2-NE 3.21Å; D666-R679 VanDerWaalsContact OD2-NE 3.16Å; D666-R679 IonicContact OD2-NH2 2.91Å; D666-R679 PolarHBondContact OD2-NH2 3.13Å; T677-R679 HydrophobicContact CG2-CB 4.1Å; T677-R679 HydrophobicContact CG2-CG 3.77Å; T677-R679 PolarHBondContact O-N 3.43Å
680	M	37	Very low	41	Very low	155 Å²	155	84.8 Å²	84.8	76%	0.764	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-94.7	-6.2	173.7	-62.6	-65.3	107.9	0	0	113.7	F678 D682	F678-M680 PolarHBondContact O-N 2.94Å; M680-D682 PolarHBondContact O-N 3.39Å
681	A	40.6	Very low	39.2	Very low	2 Å²	2	82 Å²	82	2%	0.017	46%	0.458	C	S	.	.	S	Bend	trans	-57.6	139.5	161	0	0	0	0	0	106.5	R478 W658 F678 S683	R478-A681 HydrophobicContact CB-CB 3.77Å; R478-A681 VanDerWaalsContact O-CA 3.23Å; R478-A681 WeakPolarHBondContact O-CA 3.41Å; W658-A681 HydrophobicContact CH2-CB 4.33Å; W658-A681 HydrophobicContact CZ2-CB 4.3Å; F678-A681 HydrophobicContact CD1-CB 4Å; F678-A681 WeakPolarHBondContact O-CA 3.44Å; F678-A681 WeakPolarHBondContact O-CB 3.41Å; F678-A681 PolarHBondContact O-N 3.02Å; A681-S683 PolarHBondContact O-N 3.44Å; A681-S683 PolarHBondContact O-OG 3.13Å; A681-S683 VanDerWaalsContact O-OG 3.08Å
682	D	44.7	Very low	38.1	Very low	44 Å²	44	85.6 Å²	85.6	24%	0.235	47%	0.468	C	S	.	.			trans	-66.6	55.5	177.9	-75.6	-33.1	0	0	0	111.5	R478 E479 M680 T684	R478-D682 PolarHBondContact O-N 3.02Å; E479-D682 WeakPolarHBondContact CG-OD2 3.32Å; M680-D682 PolarHBondContact O-N 3.39Å; D682-T684 PolarHBondContact O-N 3.47Å
683	S	33.5	Very low	36.8	Very low	18 Å²	18	89.4 Å²	89.4	13%	0.126	47%	0.468	C	S	.	.			trans	-70.7	96.2	178.5	35.8	0	0	0	0	109.3	R307 A681 T685	R307-S683 VanDerWaalsContact NH1-N 3.1Å; R307-S683 PolarHBondContact NH1-O 2.79Å; A681-S683 PolarHBondContact O-N 3.44Å; A681-S683 PolarHBondContact O-OG 3.13Å; A681-S683 VanDerWaalsContact O-OG 3.08Å; S683-T685 PolarHBondContact O-N 3.01Å
684	T	31.5	Very low	35.7	Very low	23 Å²	23	85.4 Å²	85.4	14%	0.141	45%	0.452	C	S	.	.			trans	-48.7	112.5	163.9	-19.3	0	0	0	0	106.7	D303 R307 D682 R686	D303-T684 HydrophobicContact CB-CG2 3.56Å; R307-T684 HydrophobicContact CB-CG2 4.44Å; D682-T684 PolarHBondContact O-N 3.47Å; T684-R686 PolarHBondContact O-N 2.84Å
685	T	29.2	Very low	34.8	Very low	118 Å²	118	96 Å²	96	72%	0.724	49%	0.49	S	S	*	.			trans	-58.2	111.7	173.7	-34.4	0	0	0	0	105.9	S683 L687	S683-T685 PolarHBondContact O-N 3.01Å; T685-L687 VanDerWaalsContact C-N 3.33Å; T685-L687 PolarHBondContact O-N 3.22Å
686	R	31.5	Very low	34	Very low	93 Å²	93	88.9 Å²	88.9	35%	0.351	48%	0.478	S	S	.	.			trans	-62.1	87.7	-169.9	-68.8	-178.7	174.5	173.8	-5.7	110.8	D654 D655 T684 G688	D654-R686 PolarHBondContact O-NH2 2.71Å; D655-R686 PolarHBondContact O-NH1 3.33Å; D655-R686 IonicContact OD1-CZ 2.71Å; D655-R686 IonicContact OD1-NE 3.32Å; D655-R686 IonicContact OD1-NH1 2.71Å; D655-R686 IonicContact OD1-NH2 3Å; D655-R686 PolarHBondContact OD1-NH2 3.19Å; T684-R686 PolarHBondContact O-N 2.84Å; R686-G688 VanDerWaalsContact C-N 3.29Å; R686-G688 PolarHBondContact O-N 2.84Å; R686-G688 VanDerWaalsContact O-N 3.08Å
687	L	29.7	Very low	33.1	Very low	147 Å²	147	93.9 Å²	93.9	77%	0.77	50%	0.504	S	S	*	.			trans	-76.1	83.5	163	-93.5	138.5	0	0	0	107.4	I306 T685	I306-L687 HydrophobicContact CG2-CD1 4.36Å; T685-L687 VanDerWaalsContact C-N 3.33Å; T685-L687 PolarHBondContact O-N 3.22Å
688	G	27.5	Very low	32.2	Very low	59 Å²	59	98.6 Å²	98.6	61%	0.608	53%	0.527	S	S	*	.	S	Bend	trans	-178.7	-32.5	173.9	0	0	0	0	0	119.3	R686	R686-G688 VanDerWaalsContact C-N 3.29Å; R686-G688 PolarHBondContact O-N 2.84Å; R686-G688 VanDerWaalsContact O-N 3.08Å
689	V	26.3	Very low	31.1	Very low	79 Å²	79	106 Å²	106	48%	0.479	57%	0.565	S	S	.	*	S	Bend	trans	-110.7	-5.1	-167.8	-144.7	0	0	0	0	114.9	S691	V689-S691 PolarHBondContact O-N 2.7Å
690	C	24.7	Very low	30.6	Very low	88 Å²	88	103.6 Å²	103.6	60%	0.595	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-0.8	173.3	-90.4	0	0	0	0	114.7	L692 F693 S694	C690-L692 PolarHBondContact O-N 3.39Å; C690-F693 PolarHBondContact O-N 3.04Å; C690-S694 PolarHBondContact O-N 3.25Å; C690-S694 VanDerWaalsContact O-N 3.1Å
691	S	27.5	Very low	30.1	Very low	109 Å²	109	105.8 Å²	105.8	76%	0.762	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-6.5	175.6	70.1	0	0	0	0	114.2	V689	V689-S691 PolarHBondContact O-N 2.7Å
692	L	31.1	Very low	29.5	Very low	141 Å²	141	112.7 Å²	112.7	74%	0.738	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	-12	170.5	-70.3	176	0	0	0	114.1	C690	C690-L692 PolarHBondContact O-N 3.39Å
693	F	28.3	Very low	28.6	Very low	137 Å²	137	115.8 Å²	115.8	60%	0.601	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.3	3	-178.5	-110.3	-87.2	0	0	0	115.8	L501 C690	L501-F693 HydrophobicContact CD2-CD2 4.25Å; L501-F693 HydrophobicContact CD2-CE2 3.69Å; C690-F693 PolarHBondContact O-N 3.04Å
694	S	26.1	Very low	28.2	Very low	58 Å²	58	125.9 Å²	125.9	41%	0.406	67%	0.668	S	S	.	*			trans	-123.2	72.9	170.1	-67.8	0	0	0	0	111.4	C690	C690-S694 PolarHBondContact O-N 3.25Å; C690-S694 VanDerWaalsContact O-N 3.1Å
695	R	27.3	Very low	27.9	Very low	248 Å²	248	129.9 Å²	129.9	94%	0.936	70%	0.695	S	S	*	*	S	Bend	trans	-104.9	8.5	150.4	-117.2	-172.5	-172.7	-168.8	2.1	113.8
696	S	30.8	Very low	27.9	Very low	94 Å²	94	130.8 Å²	130.8	66%	0.657	70%	0.701	S	S	*	*	S	Bend	trans	-154.3	144.3	165.6	-77.2	0	0	0	0	108.5
697	I	30.4	Very low	27.7	Very low	152 Å²	152	129.5 Å²	129.5	78%	0.779	72%	0.717	S	S	*	*			trans	77.8	71.2	174.9	-41.4	164.1	0	0	0	114.2
698	L	27	Very low	27.6	Very low	152 Å²	152	130 Å²	130	80%	0.796	72%	0.721	S	S	*	*			trans	-123.5	96.9	146.4	-96	167	0	0	0	107.1	P700	L698-P700 WeakPolarHBondContact O-CD 3.13Å
699	L	26.3	Very low	27.6	Very low	155 Å²	155	134.7 Å²	134.7	81%	0.812	73%	0.73	S	S	*	*			trans	-62.5	119	165.9	-89.1	157.4	0	0	0	108.5	F701	L699-F701 PolarHBondContact O-N 3.37Å; L699-F701 VanDerWaalsContact O-N 3.1Å
700	P	31.8	Very low	27.5	Very low	104 Å²	104	137.5 Å²	137.5	68%	0.675	74%	0.741	S	S	*	*			trans	-79.5	99.6	-176.3	29.3	-30.1	0	0	0	110.5	L698 I702	L698-P700 WeakPolarHBondContact O-CD 3.13Å; P700-I702 HydrophobicContact CB-CD1 4.37Å; P700-I702 HydrophobicContact CB-CG1 4.25Å; P700-I702 PolarHBondContact O-N 3.46Å
701	F	26.5	Very low	27.7	Very low	201 Å²	201	140.8 Å²	140.8	88%	0.882	75%	0.752	S	S	*	*			trans	-71.5	77.1	155.7	-148.8	-94.9	0	0	0	107.8	L699	L699-F701 PolarHBondContact O-N 3.37Å; L699-F701 VanDerWaalsContact O-N 3.1Å
702	I	27.9	Very low	27.8	Very low	146 Å²	146	144.8 Å²	144.8	75%	0.749	76%	0.756	S	S	*	*			trans	-118.5	99.1	175.8	-64.3	-178	0	0	0	110	P700	P700-I702 HydrophobicContact CB-CD1 4.37Å; P700-I702 HydrophobicContact CB-CG1 4.25Å; P700-I702 PolarHBondContact O-N 3.46Å
703	V	25.3	Very low	27.9	Very low	109 Å²	109	143.1 Å²	143.1	66%	0.661	76%	0.756	S	S	*	*			trans	-28.1	127.2	154.1	174	0	0	0	0	112.8	C705	V703-C705 PolarHBondContact O-N 2.9Å; V703-C705 VanDerWaalsContact O-N 3.1Å
704	Y	26.3	Very low	28.2	Very low	230 Å²	230	144.1 Å²	144.1	90%	0.902	77%	0.767	S	S	*	*			trans	-37.9	106.3	163.6	-110.6	-101.8	0	0	0	112.1
705	C	25.2	Very low	29.1	Very low	107 Å²	107	145.2 Å²	145.2	72%	0.723	77%	0.772	S	S	*	*			trans	-149.3	109.8	162.4	-93	0	0	0	0	110.9	V703	V703-C705 PolarHBondContact O-N 2.9Å; V703-C705 VanDerWaalsContact O-N 3.1Å
706	T	27.7	Very low	29.8	Very low	137 Å²	137	140.2 Å²	140.2	84%	0.84	76%	0.763	S	S	*	*			trans	62.9	115.3	154.1	58.2	0	0	0	0	118.4
707	G	27	Very low	30.5	Very low	66 Å²	66	143 Å²	143	68%	0.68	77%	0.765	S	S	*	*			trans	-65	135.5	178.8	0	0	0	0	0	113.5
708	D	27.8	Very low	30.9	Very low	159 Å²	159	141.4 Å²	141.4	85%	0.85	76%	0.755	S	S	*	*			trans	-169.7	93.2	136.7	-89.5	-29.5	0	0	0	106.4	I710	D708-I710 PolarHBondContact O-N 3.2Å
709	I	28.3	Very low	31.7	Very low	156 Å²	156	138.5 Å²	138.5	80%	0.8	74%	0.737	S	S	*	*			trans	-80.9	100.2	-179.1	-62.5	173	0	0	0	107.9	L711	I709-L711 HydrophobicContact CG2-CG 4.44Å
710	I	25.2	Very low	32.8	Very low	138 Å²	138	138 Å²	138	71%	0.708	73%	0.728	S	S	*	*			trans	-90.8	106.1	166.8	-62	178.4	0	0	0	108	D708 F712	D708-I710 PolarHBondContact O-N 3.2Å; I710-F712 HydrophobicContact CG2-CE2 4.37Å; I710-F712 PolarHBondContact O-N 3.1Å
711	L	27	Very low	33.2	Very low	158 Å²	158	137.8 Å²	137.8	83%	0.827	72%	0.72	S	S	*	*			trans	-62.9	113.7	179.1	-74.8	152.1	0	0	0	111.3	I709	I709-L711 HydrophobicContact CG2-CG 4.44Å
712	F	30.3	Very low	33.9	Very low	193 Å²	193	132.3 Å²	132.3	85%	0.846	70%	0.7	S	S	*	*			trans	-94.3	136	163.1	-81.9	-82.6	0	0	0	110.6	I710	I710-F712 HydrophobicContact CG2-CE2 4.37Å; I710-F712 PolarHBondContact O-N 3.1Å
713	S	33.1	Very low	34.9	Very low	106 Å²	106	129.3 Å²	129.3	74%	0.741	69%	0.685	S	S	*	*			trans	-76.3	129.1	-164.4	46.2	0	0	0	0	115.2
714	N	35.8	Very low	35.8	Very low	158 Å²	158	130.8 Å²	130.8	85%	0.845	68%	0.68	S	S	*	*			trans	-7.3	116.7	159.7	-77.2	-18.3	0	0	0	118.5
715	T	43.8	Very low	36.2	Very low	81 Å²	81	124.9 Å²	124.9	50%	0.497	66%	0.659	S	S	.	*			trans	-123.1	132.9	147.9	35.9	0	0	0	0	109.8	E717 Q718	T715-E717 PolarHBondContact O-N 3.38Å; T715-Q718 WeakPolarHBondContact O-CB 3.15Å; T715-Q718 PolarHBondContact O-N 3.32Å
716	L	41.7	Very low	36.9	Very low	143 Å²	143	125 Å²	125	75%	0.749	65%	0.648	S	S	*	*	H	α-helix	trans	-52.6	-22.2	-178.2	-168.4	71.6	0	0	0	113.9	K720	L716-K720 PolarHBondContact O-N 3.45Å
717	E	45.2	Very low	37.7	Very low	151 Å²	151	125.7 Å²	125.7	71%	0.706	64%	0.639	S	S	*	*	H	α-helix	trans	-66.5	-36.3	172.1	-84.5	-178.6	147.4	0	0	113.2	T715 Q719 K720 I721	T715-E717 PolarHBondContact O-N 3.38Å; E717-Q719 VanDerWaalsContact C-N 3.32Å; E717-Q719 PolarHBondContact O-N 3.19Å; E717-K720 PolarHBondContact O-N 3.03Å; E717-I721 WeakPolarHBondContact O-CG1 3.42Å; E717-I721 PolarHBondContact O-N 3.49Å; E717-I721 VanDerWaalsContact O-N 3.11Å
718	Q	39.6	Very low	38.3	Very low	120 Å²	120	126.8 Å²	126.8	56%	0.561	63%	0.626	S	S	*	*	H	α-helix	trans	-67.2	-36.8	177.5	-65.9	-179	-11.2	0	0	111.1	T715 I721 L722	T715-Q718 WeakPolarHBondContact O-CB 3.15Å; T715-Q718 PolarHBondContact O-N 3.32Å; Q718-I721 PolarHBondContact O-N 2.77Å; Q718-L722 WeakPolarHBondContact O-CB 3.4Å; Q718-L722 PolarHBondContact O-N 3.22Å
719	Q	43.7	Very low	38.6	Very low	90 Å²	90	124.7 Å²	124.7	42%	0.421	61%	0.614	S	S	.	*	H	α-helix	trans	-65.9	-38.7	176.4	-166.2	64.2	42.4	0	0	111.6	E717 L722 D723	E717-Q719 VanDerWaalsContact C-N 3.32Å; E717-Q719 PolarHBondContact O-N 3.19Å; Q719-L722 PolarHBondContact O-N 3.49Å; Q719-D723 PolarHBondContact NE2-OD1 3.08Å; Q719-D723 WeakPolarHBondContact O-CB 3.28Å; Q719-D723 PolarHBondContact O-N 3.35Å
720	K	49	Very low	38.9	Very low	146 Å²	146	122.5 Å²	122.5	64%	0.635	60%	0.604	S	S	*	*	H	α-helix	trans	-65.3	-39.1	175.3	-73.7	-176	177.6	-177.6	0	112.8	L716 E717 D723 Y724	L716-K720 PolarHBondContact O-N 3.45Å; E717-K720 PolarHBondContact O-N 3.03Å; K720-D723 PolarHBondContact O-N 3.45Å; K720-Y724 WeakPolarHBondContact O-CB 3.27Å; K720-Y724 PolarHBondContact O-N 3.2Å
721	I	40.6	Very low	39.6	Very low	98 Å²	98	121.6 Å²	121.6	50%	0.503	60%	0.601	S	S	.	*	H	α-helix	trans	-66.5	-42.4	174.8	-66.9	167.3	0	0	0	109.7	E717 Q718 Y724 F725	E717-I721 WeakPolarHBondContact O-CG1 3.42Å; E717-I721 PolarHBondContact O-N 3.49Å; E717-I721 VanDerWaalsContact O-N 3.11Å; Q718-I721 PolarHBondContact O-N 2.77Å; I721-Y724 WeakPolarHBondContact O-CB 3.48Å; I721-Y724 PolarHBondContact O-N 3.49Å; I721-F725 HydrophobicContact CG2-CD2 3.66Å; I721-F725 HydrophobicContact CG2-CE2 3.54Å; I721-F725 WeakPolarHBondContact O-CD2 3.47Å; I721-F725 PolarHBondContact O-N 3.44Å
722	L	40.6	Very low	39.7	Very low	87 Å²	87	121.8 Å²	121.8	46%	0.455	60%	0.595	S	S	.	*	H	α-helix	trans	-65.1	-38.9	176.7	-151	90.4	0	0	0	112.1	Q718 Q719 F725 K726	Q718-L722 WeakPolarHBondContact O-CB 3.4Å; Q718-L722 PolarHBondContact O-N 3.22Å; Q719-L722 PolarHBondContact O-N 3.49Å; L722-F725 PolarHBondContact O-N 2.91Å; L722-K726 WeakPolarHBondContact O-CB 3.47Å; L722-K726 WeakPolarHBondContact O-CG 3.32Å; L722-K726 PolarHBondContact O-N 3.28Å
723	D	48.9	Very low	39.7	Very low	83 Å²	83	120.1 Å²	120.1	44%	0.444	59%	0.59	S	S	.	*	H	α-helix	trans	-71.9	-32.9	177.9	-68.1	-14.3	0	0	0	111.3	Q719 K720 K727	Q719-D723 PolarHBondContact NE2-OD1 3.08Å; Q719-D723 WeakPolarHBondContact O-CB 3.28Å; Q719-D723 PolarHBondContact O-N 3.35Å; K720-D723 PolarHBondContact O-N 3.45Å; D723-K727 PolarHBondContact O-N 3.36Å; D723-K727 VanDerWaalsContact O-N 3.11Å
724	Y	45.2	Very low	39.7	Very low	139 Å²	139	123.6 Å²	123.6	55%	0.545	60%	0.595	S	S	.	*	H	α-helix	trans	-62	-49.7	169.1	179.1	-86.7	0	0	0	110.7	K720 I721 K726 K727 E728	K720-Y724 WeakPolarHBondContact O-CB 3.27Å; K720-Y724 PolarHBondContact O-N 3.2Å; I721-Y724 WeakPolarHBondContact O-CB 3.48Å; I721-Y724 PolarHBondContact O-N 3.49Å; Y724-K726 PolarHBondContact O-N 3.26Å; Y724-K727 WeakPolarHBondContact O-CB 3.27Å; Y724-K727 PolarHBondContact O-N 2.8Å; Y724-K727 VanDerWaalsContact O-N 3.15Å; Y724-E728 HydrophobicContact CE1-CG 4.33Å; Y724-E728 WeakPolarHBondContact CE1-OE1 3.25Å; Y724-E728 PolarHBondContact O-N 2.86Å; Y724-E728 VanDerWaalsContact O-N 3.09Å; Y724-E728 PolarHBondContact OH-OE1 3Å
725	F	34.5	Very low	39.2	Very low	107 Å²	107	126.5 Å²	126.5	47%	0.469	59%	0.594	S	S	.	*	H	α-helix	trans	-68.1	-34.2	178.2	-80	-63.6	0	0	0	113.4	I721 L722 K727 E728 L729	I721-F725 HydrophobicContact CG2-CD2 3.66Å; I721-F725 HydrophobicContact CG2-CE2 3.54Å; I721-F725 WeakPolarHBondContact O-CD2 3.47Å; I721-F725 PolarHBondContact O-N 3.44Å; L722-F725 PolarHBondContact O-N 2.91Å; F725-K727 PolarHBondContact O-N 3.23Å; F725-E728 PolarHBondContact O-N 3.36Å; F725-L729 VanDerWaalsContact O-CB 3.28Å; F725-L729 WeakPolarHBondContact O-CB 3.16Å; F725-L729 PolarHBondContact O-N 3.39Å
726	K	40.7	Very low	38.4	Very low	110 Å²	110	130.3 Å²	130.3	48%	0.478	61%	0.606	S	S	.	*	H	α-helix	trans	-64.9	-30.5	172.8	-82	-179.8	177.1	-177.2	0	112.1	L722 Y724 N730	L722-K726 WeakPolarHBondContact O-CB 3.47Å; L722-K726 WeakPolarHBondContact O-CG 3.32Å; L722-K726 PolarHBondContact O-N 3.28Å; Y724-K726 PolarHBondContact O-N 3.26Å; K726-N730 WeakPolarHBondContact O-CB 3.33Å; K726-N730 VanDerWaalsContact O-CG 3.28Å; K726-N730 PolarHBondContact O-N 3.44Å; K726-N730 VanDerWaalsContact O-N 3.08Å; K726-N730 PolarHBondContact O-OD1 3.2Å
727	K	43.3	Very low	37.8	Very low	151 Å²	151	129.8 Å²	129.8	66%	0.657	60%	0.604	S	S	*	*	H	α-helix	trans	-71.8	-46.4	174.9	-158.3	-178.5	177.7	-167.6	0	111	D723 Y724 F725 L729 N730 D731	D723-K727 PolarHBondContact O-N 3.36Å; D723-K727 VanDerWaalsContact O-N 3.11Å; Y724-K727 WeakPolarHBondContact O-CB 3.27Å; Y724-K727 PolarHBondContact O-N 2.8Å; Y724-K727 VanDerWaalsContact O-N 3.15Å; F725-K727 PolarHBondContact O-N 3.23Å; K727-L729 VanDerWaalsContact C-N 3.35Å; K727-L729 PolarHBondContact O-N 3.03Å; K727-N730 PolarHBondContact O-N 2.95Å; K727-D731 PolarHBondContact O-N 3.21Å
728	E	40.1	Very low	37	Very low	89 Å²	89	126 Å²	126	42%	0.416	59%	0.591	S	S	.	*	H	α-helix	trans	-64.6	-34.7	174.1	-90.2	-177.4	-178.7	0	0	113.2	Y724 F725 D731 F732	Y724-E728 HydrophobicContact CE1-CG 4.33Å; Y724-E728 WeakPolarHBondContact CE1-OE1 3.25Å; Y724-E728 PolarHBondContact O-N 2.86Å; Y724-E728 VanDerWaalsContact O-N 3.09Å; Y724-E728 PolarHBondContact OH-OE1 3Å; F725-E728 PolarHBondContact O-N 3.36Å; E728-D731 PolarHBondContact O-N 3.45Å; E728-F732 PolarHBondContact O-N 3.24Å
729	L	33.4	Very low	36.6	Very low	114 Å²	114	126.2 Å²	126.2	60%	0.597	60%	0.596	S	S	*	*	H	α-helix	trans	-71.4	-34.4	176.2	-90.6	153.4	0	0	0	112.7	F725 K727 D731 F732 E733	F725-L729 VanDerWaalsContact O-CB 3.28Å; F725-L729 WeakPolarHBondContact O-CB 3.16Å; F725-L729 PolarHBondContact O-N 3.39Å; K727-L729 VanDerWaalsContact C-N 3.35Å; K727-L729 PolarHBondContact O-N 3.03Å; L729-D731 VanDerWaalsContact C-N 3.29Å; L729-F732 PolarHBondContact O-N 3.47Å; L729-E733 PolarHBondContact O-N 3.04Å
730	N	35.6	Very low	36.1	Very low	110 Å²	110	125.6 Å²	125.6	59%	0.588	60%	0.602	S	S	*	*	H	α-helix	trans	-70.3	-28.5	174.8	-79.9	8.8	0	0	0	112.1	K726 K727 F732	K726-N730 WeakPolarHBondContact O-CB 3.33Å; K726-N730 VanDerWaalsContact O-CG 3.28Å; K726-N730 PolarHBondContact O-N 3.44Å; K726-N730 VanDerWaalsContact O-N 3.08Å; K726-N730 PolarHBondContact O-OD1 3.2Å; K727-N730 PolarHBondContact O-N 2.95Å; N730-F732 VanDerWaalsContact C-N 3.25Å
731	D	39.2	Very low	35.1	Very low	120 Å²	120	122.8 Å²	122.8	64%	0.642	60%	0.597	S	S	*	*	H	α-helix	trans	-76.1	-16.7	174.3	-65.1	-19.3	0	0	0	111.6	K727 E728 L729	K727-D731 PolarHBondContact O-N 3.21Å; E728-D731 PolarHBondContact O-N 3.45Å; L729-D731 VanDerWaalsContact C-N 3.29Å
732	F	30.2	Very low	34.6	Very low	161 Å²	161	120.8 Å²	120.8	71%	0.706	59%	0.589	S	S	*	*	H	α-helix	trans	-87.6	-16.7	173.6	-105.6	-91.4	0	0	0	114.3	E728 L729 N730 E734 W735	E728-F732 PolarHBondContact O-N 3.24Å; L729-F732 PolarHBondContact O-N 3.47Å; N730-F732 VanDerWaalsContact C-N 3.25Å; F732-E734 PolarHBondContact O-N 3.04Å; F732-W735 PolarHBondContact O-N 3.4Å
733	E	29.8	Very low	34.2	Very low	159 Å²	159	119.5 Å²	119.5	74%	0.743	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-3.2	178.4	-88.3	-172.2	169.8	0	0	114	L729 W735	L729-E733 PolarHBondContact O-N 3.04Å; E733-W735 VanDerWaalsContact C-N 3.35Å
734	E	32.1	Very low	33.4	Very low	178 Å²	178	120.8 Å²	120.8	83%	0.832	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-8.3	169.3	-86.6	-171.4	163.9	0	0	114.1	F732	F732-E734 PolarHBondContact O-N 3.04Å
735	W	25.4	Very low	32.6	Very low	220 Å²	220	119 Å²	119	83%	0.833	59%	0.592	S	S	*	*	S	Bend	trans	-117.1	47.1	-178.6	-93	54.3	0	0	0	113.4	F732 E733	F732-W735 PolarHBondContact O-N 3.4Å; E733-W735 VanDerWaalsContact C-N 3.35Å
736	E	27.9	Very low	32.6	Very low	161 Å²	161	117.7 Å²	117.7	75%	0.752	59%	0.59	S	S	*	*			trans	-147	69.3	160.2	-109.8	-179.9	-156.8	0	0	108.9	V738	E736-V738 HydrophobicContact CB-CG2 3.69Å; E736-V738 HydrophobicContact CG-CG2 3.77Å; E736-V738 WeakPolarHBondContact O-CG2 3.43Å; E736-V738 PolarHBondContact O-N 3.36Å
737	N	27.8	Very low	32.3	Very low	131 Å²	131	119 Å²	119	70%	0.701	60%	0.598	S	S	*	*			trans	-70.8	75.9	159.4	-156.8	-5.4	0	0	0	107.6	D739	N737-D739 PolarHBondContact O-N 3.45Å
738	V	29.5	Very low	32	Very low	73 Å²	73	118.7 Å²	118.7	44%	0.442	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.2	30.3	-178.7	-170.6	0	0	0	0	111.9	E736 T742	E736-V738 HydrophobicContact CB-CG2 3.69Å; E736-V738 HydrophobicContact CG-CG2 3.77Å; E736-V738 WeakPolarHBondContact O-CG2 3.43Å; E736-V738 PolarHBondContact O-N 3.36Å; V738-T742 PolarHBondContact O-OG1 3.26Å
739	D	32.1	Very low	31.8	Very low	123 Å²	123	116.9 Å²	116.9	66%	0.658	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-18.8	171.2	-78.9	-22.2	0	0	0	112.6	N737 S743	N737-D739 PolarHBondContact O-N 3.45Å; D739-S743 PolarHBondContact O-N 3.38Å; D739-S743 PolarHBondContact O-OG 3.31Å
740	S	32	Very low	31.9	Very low	77 Å²	77	116.1 Å²	116.1	54%	0.538	59%	0.592	S	S	.	*	H	α-helix	trans	-82.3	-34.2	178.3	67.1	0	0	0	0	113.8	S743	S740-S743 PolarHBondContact O-OG 3.14Å
741	V	28.8	Very low	32	Very low	87 Å²	87	116.4 Å²	116.4	53%	0.527	59%	0.594	S	S	.	*	H	α-helix	trans	-80.4	-30.9	176.2	-177	0	0	0	0	111.2	I744 I745	V741-I744 PolarHBondContact O-N 3.39Å; V741-I745 HydrophobicContact CG1-CD1 4.1Å; V741-I745 WeakPolarHBondContact O-CG1 3.48Å; V741-I745 PolarHBondContact O-N 3.46Å; V741-I745 VanDerWaalsContact O-N 3.14Å
742	T	30.5	Very low	31.7	Very low	56 Å²	56	115 Å²	115	34%	0.344	59%	0.59	S	S	.	*	H	α-helix	trans	-73.3	-29.1	178.1	-41.8	0	0	0	0	111.8	V738 N746	V738-T742 PolarHBondContact O-OG1 3.26Å; T742-N746 WeakPolarHBondContact O-CB 3.25Å; T742-N746 PolarHBondContact O-N 3.15Å; T742-N746 PolarHBondContact O-ND2 2.99Å
743	S	31.4	Very low	31.8	Very low	61 Å²	61	114.1 Å²	114.1	43%	0.427	59%	0.588	S	S	.	*	H	α-helix	trans	-69.4	-37.3	171.9	56.9	0	0	0	0	112.7	D739 S740 N746 E747	D739-S743 PolarHBondContact O-N 3.38Å; D739-S743 PolarHBondContact O-OG 3.31Å; S740-S743 PolarHBondContact O-OG 3.14Å; S743-N746 PolarHBondContact O-N 3.38Å; S743-E747 WeakPolarHBondContact O-CB 3.34Å; S743-E747 PolarHBondContact O-N 3.46Å
744	I	31.5	Very low	32.1	Very low	110 Å²	110	110.7 Å²	110.7	56%	0.564	58%	0.581	S	S	*	*	H	α-helix	trans	-67.5	-39.8	176	-62.8	171.8	0	0	0	111.2	V741 Q748	V741-I744 PolarHBondContact O-N 3.39Å; I744-Q748 PolarHBondContact O-N 3.22Å
745	I	29.6	Very low	32	Very low	101 Å²	101	112.1 Å²	112.1	52%	0.518	58%	0.579	S	S	.	*	H	α-helix	trans	-75.3	-34.7	178	-63.8	174	0	0	0	111.4	V741 S749	V741-I745 HydrophobicContact CG1-CD1 4.1Å; V741-I745 WeakPolarHBondContact O-CG1 3.48Å; V741-I745 PolarHBondContact O-N 3.46Å; V741-I745 VanDerWaalsContact O-N 3.14Å; I745-S749 VanDerWaalsContact O-CB 3.27Å; I745-S749 WeakPolarHBondContact O-CB 3.4Å; I745-S749 PolarHBondContact O-N 3.37Å; I745-S749 PolarHBondContact O-OG 2.87Å
746	N	33.2	Very low	32.3	Very low	80 Å²	80	107.9 Å²	107.9	43%	0.428	57%	0.573	S	S	.	*	H	α-helix	trans	-77.6	-28.6	177	-77.5	-22.5	0	0	0	113.4	T742 S743 S749 N750	T742-N746 WeakPolarHBondContact O-CB 3.25Å; T742-N746 PolarHBondContact O-N 3.15Å; T742-N746 PolarHBondContact O-ND2 2.99Å; S743-N746 PolarHBondContact O-N 3.38Å; N746-S749 PolarHBondContact O-N 2.92Å; N746-N750 WeakPolarHBondContact O-CB 3.43Å; N746-N750 PolarHBondContact O-N 3.3Å; N746-N750 PolarHBondContact O-ND2 3.33Å
747	E	36.1	Very low	32.6	Very low	136 Å²	136	107.5 Å²	107.5	64%	0.636	58%	0.576	S	S	*	*	H	α-helix	trans	-68.1	-37.3	170	-89.5	-163.6	142.2	0	0	111.8	S743 N751	S743-E747 WeakPolarHBondContact O-CB 3.34Å; S743-E747 PolarHBondContact O-N 3.46Å; E747-N751 VanDerWaalsContact O-CB 3.29Å; E747-N751 WeakPolarHBondContact O-CB 3.49Å; E747-N751 PolarHBondContact O-N 3.13Å; E747-N751 PolarHBondContact O-ND2 3.26Å
748	Q	35.9	Very low	32.6	Very low	145 Å²	145	110 Å²	110	68%	0.678	58%	0.581	S	S	*	*	H	α-helix	trans	-73.9	-33.4	174.6	-66.8	-154.3	-0.5	0	0	112.5	I744 T752	I744-Q748 PolarHBondContact O-N 3.22Å; Q748-T752 PolarHBondContact O-N 3.45Å; Q748-T752 PolarHBondContact O-OG1 2.84Å
749	S	35	Very low	32.5	Very low	52 Å²	52	115.6 Å²	115.6	36%	0.364	60%	0.599	S	S	.	*	H	α-helix	trans	-78.5	-38.9	179.3	-57.5	0	0	0	0	112.9	I745 N746 T752 Q753	I745-S749 VanDerWaalsContact O-CB 3.27Å; I745-S749 WeakPolarHBondContact O-CB 3.4Å; I745-S749 PolarHBondContact O-N 3.37Å; I745-S749 PolarHBondContact O-OG 2.87Å; N746-S749 PolarHBondContact O-N 2.92Å; S749-T752 PolarHBondContact O-N 3.1Å; S749-T752 VanDerWaalsContact O-N 3.14Å; S749-Q753 PolarHBondContact O-N 3.19Å
750	N	35.8	Very low	32.4	Very low	97 Å²	97	117.5 Å²	117.5	52%	0.519	61%	0.609	S	S	.	*	H	α-helix	trans	-74.4	-29.4	177.8	-72.1	-26.1	0	0	0	112.8	N746 T752 S754	N746-N750 WeakPolarHBondContact O-CB 3.43Å; N746-N750 PolarHBondContact O-N 3.3Å; N746-N750 PolarHBondContact O-ND2 3.33Å; N750-T752 PolarHBondContact O-N 3.33Å; N750-S754 WeakPolarHBondContact O-CB 3.38Å; N750-S754 PolarHBondContact O-N 3.39Å
751	N	37.6	Very low	32.4	Very low	116 Å²	116	120.7 Å²	120.7	62%	0.62	62%	0.62	S	S	*	*	H	α-helix	trans	-70.2	-19.7	169.1	-81.9	-33.9	0	0	0	113.1	E747	E747-N751 VanDerWaalsContact O-CB 3.29Å; E747-N751 WeakPolarHBondContact O-CB 3.49Å; E747-N751 PolarHBondContact O-N 3.13Å; E747-N751 PolarHBondContact O-ND2 3.26Å
752	T	33.6	Very low	32.3	Very low	91 Å²	91	124.3 Å²	124.3	56%	0.558	64%	0.636	S	S	*	*	H	α-helix	trans	-91.6	-30.4	177.4	-42.4	0	0	0	0	112.4	Q748 S749 N750	Q748-T752 PolarHBondContact O-N 3.45Å; Q748-T752 PolarHBondContact O-OG1 2.84Å; S749-T752 PolarHBondContact O-N 3.1Å; S749-T752 VanDerWaalsContact O-N 3.14Å; N750-T752 PolarHBondContact O-N 3.33Å
753	Q	33.4	Very low	32.1	Very low	142 Å²	142	129 Å²	129	66%	0.664	66%	0.66	S	S	*	*	H	α-helix	trans	-87.9	-30.5	175.9	-71.7	-170.7	2.6	0	0	114.4	S749 R755 N756 N757	S749-Q753 PolarHBondContact O-N 3.19Å; Q753-R755 PolarHBondContact O-N 3.34Å; Q753-N756 PolarHBondContact O-N 2.88Å; Q753-N757 PolarHBondContact O-N 3.24Å
754	S	34.8	Very low	31.9	Very low	87 Å²	87	133 Å²	133	61%	0.608	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-19.9	173.7	-164.4	0	0	0	0	112.7	N750	N750-S754 WeakPolarHBondContact O-CB 3.38Å; N750-S754 PolarHBondContact O-N 3.39Å
755	R	30.9	Very low	31.9	Very low	209 Å²	209	134.8 Å²	134.8	79%	0.789	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-20.1	170.7	-98.5	-179.8	176.2	165.9	1.5	114.8	Q753	Q753-R755 PolarHBondContact O-N 3.34Å
756	N	31.8	Very low	31.8	Very low	130 Å²	130	138.3 Å²	138.3	70%	0.695	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-11	-178.2	-78.7	-11.1	0	0	0	115	Q753	Q753-N756 PolarHBondContact O-N 2.88Å
757	N	32.8	Very low	31.5	Very low	153 Å²	153	144 Å²	144	82%	0.818	73%	0.725	S	S	*	*	S	Bend	trans	-110.4	12	176.9	-82.1	-13.4	0	0	0	115.7	Q753	Q753-N757 PolarHBondContact O-N 3.24Å
758	K	28.8	Very low	31.4	Very low	184 Å²	184	145.1 Å²	145.1	80%	0.8	74%	0.735	S	S	*	*	S	Bend	trans	-125.8	35.9	175	-102.7	-176.9	-179.3	176.1	0	115
759	K	28.1	Very low	31.2	Very low	191 Å²	191	146.5 Å²	146.5	83%	0.83	74%	0.739	S	S	*	*			trans	-133.9	31.7	170.8	-100.2	-173.7	179.3	-178.9	0	114.4
760	N	28.9	Very low	30.9	Very low	162 Å²	162	153.9 Å²	153.9	87%	0.866	77%	0.765	S	S	*	*	S	Bend	trans	-100.7	2.1	166.4	-111.4	7.5	0	0	0	114.8
761	D	31.2	Very low	30.6	Very low	145 Å²	145	158.1 Å²	158.1	78%	0.775	78%	0.782	S	S	*	*	S	Bend	trans	-122.6	107.3	170.4	-71.8	-38	0	0	0	109.5
762	N	27.6	Very low	30.5	Very low	162 Å²	162	158.1 Å²	158.1	87%	0.866	79%	0.786	S	S	*	*			trans	143.2	61.6	157.6	-71	-14.7	0	0	0	110.3
763	N	25.9	Very low	30.4	Very low	155 Å²	155	161.3 Å²	161.3	83%	0.829	80%	0.795	S	S	*	*			trans	-64.7	142.8	150.5	-91.7	-29	0	0	0	108.7
764	N	28.5	Very low	30.2	Very low	146 Å²	146	162.1 Å²	162.1	78%	0.781	80%	0.804	S	S	*	*	S	Bend	trans	76.8	75.5	171.8	-51.4	-20.1	0	0	0	115.5
765	D	30.2	Very low	30.2	Very low	147 Å²	147	165.4 Å²	165.4	79%	0.786	81%	0.814	S	S	*	*	S	Bend		-177	147.8	120.6	-89	-26.6	0	0	0	109
766	H	27.6	Very low	30.3	Very low	174 Å²	174	160.5 Å²	160.5	81%	0.806	81%	0.812	S	S	*	*			trans	99.8	22.7	176.1	-56.4	28.2	0	0	0	117.5	N768	H766-N768 PolarHBondContact O-N 3.45Å; H766-N768 VanDerWaalsContact O-N 3.1Å
767	Q	27.6	Very low	30.2	Very low	199 Å²	199	161.9 Å²	161.9	93%	0.93	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	24.5	162.5	-130.3	177.1	13.3	0	0	114
768	N	34.4	Very low	29.8	Very low	161 Å²	161	162.7 Å²	162.7	86%	0.861	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.2	26.9	-173	-111.3	-6.1	0	0	0	115.7	H766	H766-N768 PolarHBondContact O-N 3.45Å; H766-N768 VanDerWaalsContact O-N 3.1Å
769	K	31.7	Very low	29.7	Very low	174 Å²	174	160.7 Å²	160.7	76%	0.757	82%	0.817	S	S	*	*	S	Bend	trans	-134.9	8.8	179.5	-131.5	177.4	-177.5	178.9	0	118.6
770	F	27.1	Very low	29.7	Very low	206 Å²	206	161.1 Å²	161.1	90%	0.904	82%	0.822	S	S	*	*	S	Bend	trans	-115.4	13.7	175.5	-88.1	-77.9	0	0	0	115.2
771	Q	31.2	Very low	29.4	Very low	186 Å²	186	160.4 Å²	160.4	87%	0.869	82%	0.817	S	S	*	*	S	Bend	trans	-116.1	24	179.1	-146.6	147.5	12.8	0	0	114.5
772	T	34.4	Very low	29.2	Very low	116 Å²	116	160.6 Å²	160.6	71%	0.712	82%	0.818	S	S	*	*	S	Bend	trans	-133	17.6	176.4	45.6	0	0	0	0	115.2
773	Q	30.8	Very low	29.5	Very low	159 Å²	159	157.6 Å²	157.6	74%	0.743	81%	0.808	S	S	*	*	S	Bend	trans	-119.5	-6.6	176.1	-88.9	-177.5	-7	0	0	116.6
774	N	31	Very low	29.6	Very low	159 Å²	159	157.8 Å²	157.8	85%	0.85	81%	0.809	S	S	*	*	S	Bend	trans	-90.7	-7.1	173.6	-84.5	-8.2	0	0	0	115
775	D	34.2	Very low	29.3	Very low	156 Å²	156	158.4 Å²	158.4	83%	0.834	81%	0.806	S	S	*	*	S	Bend	trans	-98.1	3.4	178.4	-73.6	-20.6	0	0	0	114.4
776	S	33.5	Very low	29	Very low	105 Å²	105	157.2 Å²	157.2	73%	0.734	81%	0.807	S	S	*	*	S	Bend	trans	-103.5	4.3	-177.9	-166.7	0	0	0	0	115.4
777	L	28.5	Very low	28.7	Very low	160 Å²	160	157 Å²	157	84%	0.838	80%	0.804	S	S	*	*	S	Bend	trans	-114.8	4.9	-177.6	-106.3	138.6	0	0	0	115.3
778	M	25.4	Very low	28.4	Very low	169 Å²	169	156.8 Å²	156.8	83%	0.833	81%	0.805	S	S	*	*	S	Bend	trans	-107.6	16.5	179.7	-90.7	-63.6	-153.4	0	0	116
779	N	26.8	Very low	27.8	Very low	142 Å²	142	155.1 Å²	155.1	76%	0.759	80%	0.801	S	S	*	*			trans	-132.9	73.1	175.5	-87	-27.9	0	0	0	112.7
780	Q	27.6	Very low	27.2	Very low	200 Å²	200	153.2 Å²	153.2	94%	0.935	80%	0.804	S	S	*	*			trans	-136.8	77.4	153.8	-72.6	-167.3	1.2	0	0	109.5
781	I	22.2	Very low	27	Very low	148 Å²	148	148 Å²	148	76%	0.759	79%	0.793	S	S	*	*			trans	-81.3	119.2	166.1	-64.2	169	0	0	0	107.1
782	N	27.2	Very low	26.5	Very low	149 Å²	149	146.1 Å²	146.1	80%	0.797	79%	0.788	S	S	*	*			trans	-138.4	114.5	158.7	-157.6	-4.5	0	0	0	109.4
783	P	34	Very low	26	Very low	99 Å²	99	149.8 Å²	149.8	64%	0.643	80%	0.795	S	S	*	*			trans	-92.9	126.7	-171.3	34.3	-29	0	0	0	110.9
784	N	27.4	Very low	25.6	Very low	159 Å²	159	151.1 Å²	151.1	85%	0.85	80%	0.798	S	S	*	*			trans	-145.8	100.4	159.1	-92.5	-33	0	0	0	110.3
785	Q	22.3	Very low	25.3	Very low	158 Å²	158	148.8 Å²	148.8	74%	0.738	79%	0.794	S	S	*	*			trans	-72.5	148.2	163.9	-76.9	-175.1	-29.1	0	0	110.5
786	P	23.3	Very low	24.8	Very low	122 Å²	122	150.7 Å²	150.7	79%	0.792	80%	0.795	S	S	*	*			trans	-122.2	120	133.6	30.6	-18.5	0	0	0	110.5
787	K	21.4	Very low	24.2	Very low	171 Å²	171	151 Å²	151	74%	0.743	80%	0.797	S	S	*	*			trans	-67.5	128.6	169	-65.6	171.9	177.6	174.7	0	108.9
788	M	21.6	Very low	24	Very low	193 Å²	193	152.7 Å²	152.7	95%	0.951	80%	0.801	S	S	*	*			trans	-121.2	127	161	-86.1	-155.1	171.2	0	0	110.8
789	T	22	Very low	23.8	Very low	127 Å²	127	150.2 Å²	150.2	78%	0.779	80%	0.8	S	S	*	*			trans	-86.5	149.2	-167.6	45.9	0	0	0	0	112.8
790	T	19.6	Very low	23.7	Very low	133 Å²	133	148.8 Å²	148.8	82%	0.816	80%	0.801	S	S	*	*			trans	-43.3	130.5	167.1	38.2	0	0	0	0	114.8
791	S	22.3	Very low	23.3	Very low	98 Å²	98	145.3 Å²	145.3	69%	0.685	79%	0.793	S	S	*	*			trans	-122.3	105.8	163.2	70.4	0	0	0	0	110.7
792	L	20.6	Very low	23.5	Very low	145 Å²	145	144.8 Å²	144.8	76%	0.759	80%	0.797	S	S	*	*			trans	-61	129.5	165.4	-80.3	86	0	0	0	110.3
793	F	25.4	Very low	23.2	Very low	193 Å²	193	144 Å²	144	85%	0.846	79%	0.793	S	S	*	*			trans	-109.7	104.5	160.4	-92.3	-85.5	0	0	0	110.3
794	K	21.8	Very low	22.6	Very low	187 Å²	187	146.7 Å²	146.7	81%	0.813	80%	0.801	S	S	*	*			trans	-93.6	128.3	160.9	-84.5	177.1	173.5	173.7	0	108.2
795	S	25	Very low	22.4	Very low	110 Å²	110	146 Å²	146	77%	0.769	80%	0.803	S	S	*	*			trans	-151.6	88.9	158	55.3	0	0	0	0	108.4
796	K	23.7	Very low	22.5	Very low	197 Å²	197	145 Å²	145	86%	0.857	81%	0.808	S	S	*	*				57.5	95.2	96.5	-87.9	-172.9	176.1	179.4	0	114.6
797	S	19.7	Very low	23.3	Very low	110 Å²	110	144.7 Å²	144.7	77%	0.769	81%	0.806	S	S	*	*			trans	-14.8	127.6	138	54.2	0	0	0	0	116.5
798	Q	25.5	Very low	23.5	Very low	197 Å²	197	144.6 Å²	144.6	92%	0.921	81%	0.814	S	S	*	*			trans	-133.1	116.4	145.8	-79.3	-171.7	-6.6	0	0	109.6
799	S	19.7	Very low	23.5	Very low	116 Å²	116	143.7 Å²	143.7	81%	0.811	80%	0.804	S	S	*	*			trans	-74.1	130.4	166.1	49.5	0	0	0	0	110.1
800	S	25	Very low	23.5	Very low	113 Å²	113	144.3 Å²	144.3	79%	0.79	80%	0.803	S	S	*	*			trans	-134.7	104	159.3	59.2	0	0	0	0	109.1
801	V	19.9	Very low	23.9	Very low	126 Å²	126	145.1 Å²	145.1	76%	0.764	80%	0.802	S	S	*	*			trans	-71.3	123.1	167	172.5	0	0	0	0	107.8
802	V	25.2	Very low	24	Very low	138 Å²	138	145.1 Å²	145.1	84%	0.836	80%	0.802	S	S	*	*			trans	-136.6	128.4	159.6	-179.4	0	0	0	0	108.9
803	N	22.5	Very low	24.1	Very low	133 Å²	133	148.2 Å²	148.2	71%	0.711	81%	0.81	S	S	*	*			trans	-73.5	148.4	-169	-75.2	-41.8	0	0	0	114.4
804	N	19.7	Very low	24	Very low	154 Å²	154	149 Å²	149	82%	0.824	81%	0.813	S	S	*	*			trans	-12.2	127.9	153.1	-65.8	-28.1	0	0	0	118.1
805	T	25.1	Very low	24	Very low	145 Å²	145	151 Å²	151	89%	0.89	82%	0.815	S	S	*	*			trans	-143.6	124.5	142.6	7.1	0	0	0	0	110.6
806	T	23.8	Very low	23.9	Very low	136 Å²	136	153.6 Å²	153.6	83%	0.834	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-78.6	170.1	-179.5	15.2	0	0	0	0	112.3
807	P	39.3	Very low	23.8	Very low	117 Å²	117	151.6 Å²	151.6	76%	0.76	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-99.8	153.7	-137	38.1	-36.2	0	0	0	114.4
808	N	25.2	Very low	23.9	Very low	168 Å²	168	152.6 Å²	152.6	90%	0.898	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-101.2	126.6	167.4	-146.4	-1.1	0	0	0	110.9
809	K	22.3	Very low	23.8	Very low	175 Å²	175	148.7 Å²	148.7	76%	0.761	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-80.2	162.5	178.6	-77.9	177	172.9	175.2	0	110.9
810	N	22.9	Very low	23.8	Very low	139 Å²	139	148.8 Å²	148.8	74%	0.743	81%	0.811	S	S	*	*			trans	89.1	105.7	161.1	-56.3	-19	0	0	0	116.6
811	N	26.3	Very low	23.8	Very low	150 Å²	150	148.6 Å²	148.6	80%	0.802	81%	0.81	S	S	*	*				-170.8	111.8	107.5	-90.1	-19.9	0	0	0	112.7
812	S	24.4	Very low	24.7	Very low	99 Å²	99	148.1 Å²	148.1	69%	0.692	81%	0.809	S	S	*	*			trans	35.8	103.7	133	23.8	0	0	0	0	120.7
813	K	23.1	Very low	24.6	Very low	210 Å²	210	150.9 Å²	150.9	91%	0.913	81%	0.813	S	S	*	*				26.8	96.9	126.3	-65.7	-179.8	178	177.2	0	116.9
814	K	23.7	Very low	24.7	Very low	208 Å²	208	149.5 Å²	149.5	90%	0.904	81%	0.813	S	S	*	*			trans	-104.4	101.9	149.6	-82	-175	176.3	-178.8	0	108.7
815	R	21.4	Very low	24.8	Very low	230 Å²	230	149.6 Å²	149.6	87%	0.868	81%	0.814	S	S	*	*			trans	-85.1	108.5	172	-174.6	176.4	-174.5	177.9	0.7	106.6	L817	R815-L817 PolarHBondContact O-N 3.48Å
816	L	23	Very low	24.8	Very low	164 Å²	164	151.5 Å²	151.5	86%	0.859	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.4	119.3	170.4	-111.1	88.9	0	0	0	108
817	L	21.8	Very low	24.7	Very low	156 Å²	156	149.8 Å²	149.8	82%	0.817	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-78.8	119.6	172.7	-75.8	154.5	0	0	0	108.1	R815	R815-L817 PolarHBondContact O-N 3.48Å
818	V	22.5	Very low	23.9	Very low	130 Å²	130	152.8 Å²	152.8	79%	0.788	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-77.9	126.8	166.4	179.2	0	0	0	0	106.7	S820	V818-S820 PolarHBondContact O-N 2.93Å
819	P	23	Very low	23.8	Very low	115 Å²	115	151.6 Å²	151.6	75%	0.747	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-75.3	117.7	-179.6	11	1.7	0	0	0	109.6
820	S	20.5	Very low	23.9	Very low	118 Å²	118	154.1 Å²	154.1	83%	0.825	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-85.2	123.8	159.8	51	0	0	0	0	108.7	V818	V818-S820 PolarHBondContact O-N 2.93Å
821	S	24.6	Very low	23.8	Very low	110 Å²	110	151.9 Å²	151.9	77%	0.769	81%	0.809	S	S	*	*			trans	-145.7	149.4	168.9	45.2	0	0	0	0	109.6
822	P	38.8	Very low	23.6	Very low	116 Å²	116	151.8 Å²	151.8	75%	0.753	81%	0.808	S	S	*	*				-110.3	164.9	-117.6	38	-34.4	0	0	0	114.6	S824	P822-S824 PolarHBondContact O-N 3.49Å
823	E	22.2	Very low	23.7	Very low	196 Å²	196	156 Å²	156	92%	0.916	82%	0.817	S	S	*	*			trans	-30.3	114.9	162.7	-62.9	169.8	170.9	0	0	113.4
824	S	25.3	Very low	23.7	Very low	103 Å²	103	153.2 Å²	153.2	72%	0.72	81%	0.812	S	S	*	*			trans	-122.7	103	160.8	61.2	0	0	0	0	108.6	P822 H826	P822-S824 PolarHBondContact O-N 3.49Å; S824-H826 PolarHBondContact O-N 3.26Å
825	N	22.1	Very low	23.8	Very low	156 Å²	156	150.6 Å²	150.6	83%	0.834	81%	0.807	S	S	*	*			trans	-60.5	106.4	162.5	-76.2	-35.2	0	0	0	109
826	H	25.5	Very low	24.3	Very low	185 Å²	185	146 Å²	146	86%	0.856	80%	0.8	S	S	*	*			trans	-139.1	94.6	152.2	-85.9	-72.4	0	0	0	107.8	S824	S824-H826 PolarHBondContact O-N 3.26Å
827	S	20.8	Very low	24.5	Very low	100 Å²	100	146.2 Å²	146.2	70%	0.699	80%	0.802	S	S	*	*			trans	-72.7	144.9	163	50.7	0	0	0	0	109.9
828	E	22	Very low	24.8	Very low	181 Å²	181	144.4 Å²	144.4	85%	0.846	79%	0.792	S	S	*	*			trans	88.3	129.9	158	-63.4	-179.9	164.8	0	0	119.1
829	I	23.5	Very low	25.3	Very low	143 Å²	143	144.6 Å²	144.6	73%	0.733	79%	0.788	S	S	*	*			trans	82.9	79.9	164.3	-40.6	171.7	0	0	0	116.3
830	F	23.8	Very low	25.6	Very low	227 Å²	227	147.3 Å²	147.3	100%	0.996	79%	0.791	S	S	*	*			trans	-149.3	82.6	139.9	-91.3	-75.4	0	0	0	107.9
831	S	21.1	Very low	26.1	Very low	93 Å²	93	148.7 Å²	148.7	65%	0.65	79%	0.789	S	S	*	*			trans	-116.9	133.1	166.7	44.4	0	0	0	0	108
832	N	22.2	Very low	26.5	Very low	148 Å²	148	148.9 Å²	148.9	79%	0.791	78%	0.782	S	S	*	*			trans	87.6	98.1	174.5	-52.7	-13	0	0	0	115
833	E	26	Very low	26.5	Very low	186 Å²	186	145.3 Å²	145.3	87%	0.869	76%	0.756	S	S	*	*				171.8	84.4	106.6	-90.2	174	-174.7	0	0	108.3
834	L	24.8	Very low	26.8	Very low	153 Å²	153	143.2 Å²	143.2	80%	0.801	75%	0.75	S	S	*	*			trans	-108.6	83.2	166.6	-80.7	164	0	0	0	106.6	D836	L834-D836 PolarHBondContact O-N 3.48Å
835	N	25.8	Very low	27	Very low	153 Å²	153	144.8 Å²	144.8	82%	0.818	74%	0.74	S	S	*	*			trans	-86.9	98.7	163.3	-92.1	-11.2	0	0	0	107.2	N837	N835-N837 PolarHBondContact O-N 3.39Å
836	D	31.2	Very low	27.3	Very low	133 Å²	133	143.2 Å²	143.2	71%	0.711	74%	0.736	S	S	*	*			trans	-64.6	115.2	166.6	-75	-33.1	0	0	0	108.2	L834 I838	L834-D836 PolarHBondContact O-N 3.48Å; D836-I838 PolarHBondContact O-N 3.1Å; D836-I838 VanDerWaalsContact O-N 3.1Å
837	N	26.9	Very low	27.4	Very low	168 Å²	168	140.2 Å²	140.2	90%	0.898	73%	0.726	S	S	*	*			trans	-61	108.2	173.1	-74.9	-28.9	0	0	0	109.4	N835	N835-N837 PolarHBondContact O-N 3.39Å
838	I	28	Very low	27.7	Very low	119 Å²	119	142.6 Å²	142.6	61%	0.61	73%	0.731	S	S	*	*			trans	-110.4	121.4	171.2	-62.6	173	0	0	0	107.1	D836 E840	D836-I838 PolarHBondContact O-N 3.1Å; D836-I838 VanDerWaalsContact O-N 3.1Å; I838-E840 PolarHBondContact O-N 3.34Å
839	D	32.9	Very low	28	Very low	133 Å²	133	140.1 Å²	140.1	71%	0.711	73%	0.728	S	S	*	*			trans	-53.8	130.9	179.5	-77.6	-42.6	0	0	0	111.9	D841	D839-D841 VanDerWaalsContact C-N 3.26Å; D839-D841 PolarHBondContact O-N 3.43Å
840	E	29.8	Very low	28.2	Very low	172 Å²	172	140.2 Å²	140.2	80%	0.804	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-70.9	-17.2	-177.1	-82.8	-171.5	142.3	0	0	113.8	I838 D842	I838-E840 PolarHBondContact O-N 3.34Å; E840-D842 PolarHBondContact O-N 3Å
841	D	31.6	Very low	28.4	Very low	147 Å²	147	135.1 Å²	135.1	79%	0.786	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-83.3	-2.7	-166.7	-67.6	-31.2	0	0	0	115.7	D839 L843	D839-D841 VanDerWaalsContact C-N 3.26Å; D839-D841 PolarHBondContact O-N 3.43Å; D841-L843 VanDerWaalsContact C-N 3.35Å; D841-L843 PolarHBondContact O-N 3.25Å
842	D	33.4	Very low	28.7	Very low	115 Å²	115	137.4 Å²	137.4	62%	0.615	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-87	10.7	-171.2	-102.4	6.9	0	0	0	115.5	N622 E840	N622-D842 PolarHBondContact ND2-OD2 3.19Å; E840-D842 PolarHBondContact O-N 3Å
843	L	37.5	Very low	29	Very low	41 Å²	41	137 Å²	137	22%	0.215	72%	0.716	C	S	.	*			trans	-132.9	74.6	-173	-85.6	146.7	0	0	0	113.4	D841 W845	D841-L843 VanDerWaalsContact C-N 3.35Å; D841-L843 PolarHBondContact O-N 3.25Å; L843-W845 HydrophobicContact CD2-CZ2 4.38Å; L843-W845 PolarHBondContact O-N 3.24Å
844	I	28.7	Very low	29	Very low	151 Å²	151	136.6 Å²	136.6	77%	0.774	71%	0.712	S	S	*	*			trans	-77	114.1	162.1	-56.5	173	0	0	0	108.3
845	W	29.8	Very low	29.1	Very low	136 Å²	136	136.2 Å²	136.2	52%	0.515	72%	0.715	S	S	.	*			trans	-87.7	123.2	161.9	-67.8	85.9	0	0	0	106.8	L660 L843 D847	L660-W845 HydrophobicContact CD2-CH2 4.35Å; L660-W845 HydrophobicContact CD2-CZ3 4.3Å; L843-W845 HydrophobicContact CD2-CZ2 4.38Å; L843-W845 PolarHBondContact O-N 3.24Å; W845-D847 PolarHBondContact O-N 2.89Å
846	V	27.4	Very low	29.2	Very low	124 Å²	124	136.3 Å²	136.3	75%	0.752	71%	0.71	S	S	*	*			trans	-74.1	94.8	161.5	-178.5	0	0	0	0	103.7
847	D	27.4	Very low	29	Very low	122 Å²	122	139.1 Å²	139.1	65%	0.652	72%	0.72	S	S	*	*			trans	-59.2	141.6	164.7	-71.2	-35.7	0	0	0	107.2	W845 V849	W845-D847 PolarHBondContact O-N 2.89Å; D847-V849 PolarHBondContact O-N 3.38Å
848	D	28.1	Very low	29	Very low	150 Å²	150	139.1 Å²	139.1	80%	0.802	72%	0.718	S	S	*	*			trans	-45.2	127.5	179.1	-69.2	-52.7	0	0	0	108.6	D850	D848-D850 PolarHBondContact O-N 3.08Å
849	V	28.3	Very low	29	Very low	128 Å²	128	139.3 Å²	139.3	78%	0.776	72%	0.72	S	S	*	*			trans	-66.1	87.4	-179.9	-178.6	0	0	0	0	106.2	D847	D847-V849 PolarHBondContact O-N 3.38Å
850	D	27.3	Very low	29	Very low	146 Å²	146	141.4 Å²	141.4	78%	0.781	73%	0.725	S	S	*	*			trans	-72	122.4	161.2	-77.6	-32.1	0	0	0	106.6	D848	D848-D850 PolarHBondContact O-N 3.08Å
851	D	27.6	Very low	29.1	Very low	119 Å²	119	137.1 Å²	137.1	64%	0.636	71%	0.714	S	S	*	*			trans	-41.8	138.4	169.4	-62	-61.7	0	0	0	111.8
852	D	27.4	Very low	28.9	Very low	141 Å²	141	137 Å²	137	75%	0.754	71%	0.714	S	S	*	*				165.3	113.7	126.4	-79.5	-23.7	0	0	0	110.1
853	D	28.8	Very low	28.6	Very low	141 Å²	141	138.6 Å²	138.6	75%	0.754	72%	0.721	S	S	*	*			trans	48.6	102.7	132.4	-62.4	-19.1	0	0	0	118.9
854	F	26.8	Very low	28.2	Very low	177 Å²	177	142.3 Å²	142.3	78%	0.776	75%	0.745	S	S	*	*				164.7	93.3	119	-108.7	-100.2	0	0	0	108.9	E856	F854-E856 HydrophobicContact CD1-CG 4.28Å; F854-E856 HydrophobicContact CE1-CG 4.26Å
855	V	27.1	Very low	28.2	Very low	144 Å²	144	142.1 Å²	142.1	87%	0.873	75%	0.746	S	S	*	*			trans	-127.9	90.7	153.5	-176.1	0	0	0	0	106.2	Q857	V855-Q857 PolarHBondContact O-N 3.2Å
856	E	28	Very low	28.1	Very low	155 Å²	155	143 Å²	143	72%	0.724	76%	0.761	S	S	*	*			trans	-52.4	125.5	168.9	-85.2	179.8	146.7	0	0	109.1	F854 I858	F854-E856 HydrophobicContact CD1-CG 4.28Å; F854-E856 HydrophobicContact CE1-CG 4.26Å; E856-I858 PolarHBondContact O-N 2.69Å
857	Q	26.1	Very low	28	Very low	193 Å²	193	144.1 Å²	144.1	90%	0.902	76%	0.763	S	S	*	*			trans	-55.1	107.1	170.7	-73.4	173.4	-15.2	0	0	109.2	V855 D859	V855-Q857 PolarHBondContact O-N 3.2Å; Q857-D859 PolarHBondContact O-N 2.89Å
858	I	26.7	Very low	27.9	Very low	167 Å²	167	146.4 Å²	146.4	86%	0.856	77%	0.773	S	S	*	*			trans	-77.3	104.5	161.6	-61.4	176.7	0	0	0	105.9	E856 E860	E856-I858 PolarHBondContact O-N 2.69Å; I858-E860 PolarHBondContact O-N 3.38Å
859	D	28.4	Very low	27.8	Very low	124 Å²	124	147 Å²	147	66%	0.663	77%	0.771	S	S	*	*			trans	-54.9	121.9	177.6	-163.3	-29.1	0	0	0	110.4	Q857 S861	Q857-D859 PolarHBondContact O-N 2.89Å; D859-S861 PolarHBondContact O-N 2.88Å; D859-S861 PolarHBondContact OD1-OG 2.82Å
860	E	32.9	Very low	27.8	Very low	176 Å²	176	149.5 Å²	149.5	82%	0.822	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	21.8	-173.9	-106	-178.3	175.6	0	0	114	I858	I858-E860 PolarHBondContact O-N 3.38Å
861	S	32.6	Very low	27.7	Very low	82 Å²	82	152.7 Å²	152.7	57%	0.573	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-1	-177.9	49.5	0	0	0	0	115.9	D859	D859-S861 PolarHBondContact O-N 2.88Å; D859-S861 PolarHBondContact OD1-OG 2.82Å
862	D	27.1	Very low	27.7	Very low	146 Å²	146	152.3 Å²	152.3	78%	0.781	79%	0.788	S	S	*	*			trans	-106.8	17.6	-179.6	-83.5	-15.6	0	0	0	115.5	T864	D862-T864 PolarHBondContact O-N 3.37Å
863	I	26.6	Very low	27.9	Very low	147 Å²	147	148.7 Å²	148.7	75%	0.754	79%	0.785	S	S	*	*			trans	-80.2	75.2	168.6	-51.4	178	0	0	0	108.9
864	T	29.2	Very low	28.2	Very low	119 Å²	119	148.3 Å²	148.3	73%	0.73	78%	0.782	S	S	*	*			trans	-97.3	121.5	163.9	58.3	0	0	0	0	110	D862 N866	D862-T864 PolarHBondContact O-N 3.37Å; T864-N866 PolarHBondContact O-N 3.5Å
865	D	27.8	Very low	28.7	Very low	148 Å²	148	146.2 Å²	146.2	79%	0.791	78%	0.779	S	S	*	*			trans	-32.9	120	169.3	-66.7	-47	0	0	0	113.1
866	N	27.7	Very low	29.3	Very low	153 Å²	153	147.5 Å²	147.5	82%	0.818	78%	0.776	S	S	*	*			trans	177.3	139.4	133.2	-85	-39	0	0	0	110.4	T864	T864-N866 PolarHBondContact O-N 3.5Å
867	N	26.6	Very low	29.9	Very low	149 Å²	149	147 Å²	147	80%	0.797	77%	0.768	S	S	*	*			trans	92.2	62.1	173.6	-50.9	-19.4	0	0	0	116	E869	N867-E869 PolarHBondContact O-N 3.1Å
868	I	24.5	Very low	30.5	Very low	170 Å²	170	143.8 Å²	143.8	87%	0.872	76%	0.757	S	S	*	*			trans	-69.2	96.2	146.3	-59.6	169.7	0	0	0	106.6
869	E	26.6	Very low	30.9	Very low	163 Å²	163	141.7 Å²	141.7	76%	0.762	75%	0.747	S	S	*	*			trans	-106.3	116.8	158.7	-80.9	-168.4	163.1	0	0	108.5	N867 F871	N867-E869 PolarHBondContact O-N 3.1Å; E869-F871 PolarHBondContact O-N 2.97Å; E869-F871 VanDerWaalsContact O-N 3.08Å
870	E	27.4	Very low	31.5	Very low	180 Å²	180	138 Å²	138	84%	0.841	73%	0.731	S	S	*	*			trans	-56	104.1	176.4	-74.1	173.4	129.1	0	0	111.1	S872	E870-S872 VanDerWaalsContact C-N 3.33Å; E870-S872 PolarHBondContact O-N 3.33Å; E870-S872 VanDerWaalsContact O-N 3.09Å
871	F	24.9	Very low	31.9	Very low	212 Å²	212	132.9 Å²	132.9	93%	0.93	71%	0.707	S	S	*	*			trans	-78.4	84.2	163.1	-92.1	-91.4	0	0	0	109.5	E869	E869-F871 PolarHBondContact O-N 2.97Å; E869-F871 VanDerWaalsContact O-N 3.08Å
872	S	28.6	Very low	32.1	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	70%	0.703	S	S	*	*			trans	-103.7	112.3	165.3	70	0	0	0	0	110.4	E870	E870-S872 VanDerWaalsContact C-N 3.33Å; E870-S872 PolarHBondContact O-N 3.33Å; E870-S872 VanDerWaalsContact O-N 3.09Å
873	G	30.4	Very low	32.7	Very low	66 Å²	66	128.4 Å²	128.4	68%	0.68	69%	0.687	S	S	*	*			trans	98.3	107.6	158.8	0	0	0	0	0	116
874	N	35.2	Very low	33.4	Very low	132 Å²	132	126.8 Å²	126.8	71%	0.706	67%	0.674	S	S	*	*			trans	179.3	42.1	133.9	-88.4	-14.1	0	0	0	113.6	E876 Y877	N874-E876 PolarHBondContact O-N 2.94Å; N874-E876 VanDerWaalsContact O-N 3.12Å; N874-Y877 PolarHBondContact O-N 3.22Å; N874-Y877 VanDerWaalsContact O-N 3.11Å
875	D	37.9	Very low	33.7	Very low	134 Å²	134	126.5 Å²	126.5	72%	0.717	67%	0.667	S	S	*	*	H	α-helix	trans	-60.3	-19.9	172.5	-72.3	-26.3	0	0	0	113.1	Y877	D875-Y877 VanDerWaalsContact C-N 3.34Å
876	E	39.6	Very low	34	Very low	170 Å²	170	123 Å²	123	79%	0.794	66%	0.659	S	S	*	*	H	α-helix	trans	-71.9	-25.4	176.8	-124.4	173.6	-175.5	0	0	113.1	N874 S880	N874-E876 PolarHBondContact O-N 2.94Å; N874-E876 VanDerWaalsContact O-N 3.12Å; E876-S880 PolarHBondContact O-N 3.31Å; E876-S880 VanDerWaalsContact O-N 3.15Å
877	Y	40.9	Very low	34.4	Very low	145 Å²	145	122.6 Å²	122.6	57%	0.569	65%	0.652	S	S	*	*	H	α-helix	trans	-73.4	-43.5	179.8	-170.4	-95.7	0	0	0	111.7	N874 D875 L879 S880 E881	N874-Y877 PolarHBondContact O-N 3.22Å; N874-Y877 VanDerWaalsContact O-N 3.11Å; D875-Y877 VanDerWaalsContact C-N 3.34Å; Y877-L879 VanDerWaalsContact C-N 3.35Å; Y877-L879 PolarHBondContact O-N 3.4Å; Y877-S880 PolarHBondContact O-N 3.01Å; Y877-S880 PolarHBondContact O-OG 3.29Å; Y877-E881 PolarHBondContact O-N 3.09Å
878	L	38.2	Very low	35	Very low	126 Å²	126	119.2 Å²	119.2	66%	0.66	65%	0.645	S	S	*	*	H	α-helix	trans	-64.7	-38.4	179.1	-77.1	168.5	0	0	0	112.2	E881 A882	L878-E881 PolarHBondContact O-N 3.23Å; L878-A882 WeakPolarHBondContact O-CB 3.2Å; L878-A882 PolarHBondContact O-N 3.18Å
879	L	36	Very low	35.2	Very low	123 Å²	123	116.3 Å²	116.3	64%	0.644	64%	0.635	S	S	*	*	H	α-helix	trans	-66.2	-39.6	173.5	-93.7	149.5	0	0	0	112.1	Y877 E881 V883	Y877-L879 VanDerWaalsContact C-N 3.35Å; Y877-L879 PolarHBondContact O-N 3.4Å; L879-E881 VanDerWaalsContact C-N 3.34Å; L879-E881 PolarHBondContact O-N 3.45Å; L879-V883 VanDerWaalsContact O-CG2 3.3Å; L879-V883 WeakPolarHBondContact O-CG2 3.28Å; L879-V883 PolarHBondContact O-N 3.4Å; L879-V883 VanDerWaalsContact O-N 3.09Å
880	S	41	Very low	35.3	Very low	47 Å²	47	117.1 Å²	117.1	33%	0.329	64%	0.639	S	S	.	*	H	α-helix	trans	-67.2	-35.1	177.4	83.6	0	0	0	0	112.7	E876 Y877 K884	E876-S880 PolarHBondContact O-N 3.31Å; E876-S880 VanDerWaalsContact O-N 3.15Å; Y877-S880 PolarHBondContact O-N 3.01Å; Y877-S880 PolarHBondContact O-OG 3.29Å; S880-K884 WeakPolarHBondContact O-CG 3.33Å; S880-K884 PolarHBondContact O-N 3.12Å
881	E	42.1	Very low	35.3	Very low	68 Å²	68	114.2 Å²	114.2	32%	0.318	63%	0.633	S	S	.	*	H	α-helix	trans	-78.5	-34.9	-179.3	-141.5	68.3	175.3	0	0	111.4	Y877 L878 L879 V883 K884 I885	Y877-E881 PolarHBondContact O-N 3.09Å; L878-E881 PolarHBondContact O-N 3.23Å; L879-E881 VanDerWaalsContact C-N 3.34Å; L879-E881 PolarHBondContact O-N 3.45Å; E881-V883 VanDerWaalsContact C-N 3.35Å; E881-V883 PolarHBondContact O-N 3.43Å; E881-K884 PolarHBondContact O-N 3.25Å; E881-K884 IonicContact OE2-NZ 3.84Å; E881-K884 PolarHBondContact OE2-NZ 3.4Å; E881-I885 VanDerWaalsContact O-CG1 3.25Å; E881-I885 WeakPolarHBondContact O-CG1 3.25Å; E881-I885 PolarHBondContact O-N 3.39Å
882	A	36	Very low	35.5	Very low	59 Å²	59	111.9 Å²	111.9	49%	0.488	63%	0.63	S	S	.	*	H	α-helix	trans	-63.1	-39.5	171.5	0	0	0	0	0	112.2	L878 I885 A886	L878-A882 WeakPolarHBondContact O-CB 3.2Å; L878-A882 PolarHBondContact O-N 3.18Å; A882-I885 PolarHBondContact O-N 2.93Å; A882-A886 WeakPolarHBondContact O-CB 3.41Å; A882-A886 PolarHBondContact O-N 3.47Å
883	V	40.1	Very low	35.3	Very low	74 Å²	74	117.6 Å²	117.6	45%	0.448	64%	0.635	S	S	.	*	H	α-helix	trans	-68.5	-40.1	175.4	173.1	0	0	0	0	111.3	L879 E881 I885 A886 E887	L879-V883 VanDerWaalsContact O-CG2 3.3Å; L879-V883 WeakPolarHBondContact O-CG2 3.28Å; L879-V883 PolarHBondContact O-N 3.4Å; L879-V883 VanDerWaalsContact O-N 3.09Å; E881-V883 VanDerWaalsContact C-N 3.35Å; E881-V883 PolarHBondContact O-N 3.43Å; V883-I885 VanDerWaalsContact C-N 3.34Å; V883-I885 PolarHBondContact O-N 3.12Å; V883-A886 PolarHBondContact O-N 3.08Å; V883-E887 HydrophobicContact CG1-CG 4.43Å; V883-E887 WeakPolarHBondContact O-CG 3.5Å; V883-E887 PolarHBondContact O-N 3.29Å
884	K	39.8	Very low	35	Very low	113 Å²	113	121.9 Å²	121.9	49%	0.491	64%	0.641	S	S	.	*	H	α-helix	trans	-64.3	-36.8	174.2	-75.8	-178.7	-157.2	148.1	0	113	S880 E881 A886 E887 A888	S880-K884 WeakPolarHBondContact O-CG 3.33Å; S880-K884 PolarHBondContact O-N 3.12Å; E881-K884 PolarHBondContact O-N 3.25Å; E881-K884 IonicContact OE2-NZ 3.84Å; E881-K884 PolarHBondContact OE2-NZ 3.4Å; K884-A886 VanDerWaalsContact C-N 3.34Å; K884-E887 PolarHBondContact O-N 3.34Å; K884-A888 WeakPolarHBondContact O-CB 3.42Å; K884-A888 PolarHBondContact O-N 3.44Å
885	I	36.8	Very low	34.6	Very low	114 Å²	114	122 Å²	122	59%	0.585	65%	0.647	S	S	*	*	H	α-helix	trans	-68.2	-38.2	176.2	-68.5	166	0	0	0	110.1	E881 A882 V883 A888 V889	E881-I885 VanDerWaalsContact O-CG1 3.25Å; E881-I885 WeakPolarHBondContact O-CG1 3.25Å; E881-I885 PolarHBondContact O-N 3.39Å; A882-I885 PolarHBondContact O-N 2.93Å; V883-I885 VanDerWaalsContact C-N 3.34Å; V883-I885 PolarHBondContact O-N 3.12Å; I885-A888 PolarHBondContact O-N 3.06Å; I885-V889 WeakPolarHBondContact O-CG2 3.42Å
886	A	34.2	Very low	34.1	Very low	75 Å²	75	125.2 Å²	125.2	62%	0.62	66%	0.658	S	S	*	*	H	α-helix	trans	-67.8	-39.1	175.4	0	0	0	0	0	112.6	A882 V883 K884	A882-A886 WeakPolarHBondContact O-CB 3.41Å; A882-A886 PolarHBondContact O-N 3.47Å; V883-A886 PolarHBondContact O-N 3.08Å; K884-A886 VanDerWaalsContact C-N 3.34Å
887	E	36.1	Very low	33.4	Very low	143 Å²	143	120.3 Å²	120.3	67%	0.668	65%	0.653	S	S	*	*	H	α-helix	trans	-75	-24.5	177.1	-72.9	-178.5	166.1	0	0	113	V883 K884 V889	V883-E887 HydrophobicContact CG1-CG 4.43Å; V883-E887 WeakPolarHBondContact O-CG 3.5Å; V883-E887 PolarHBondContact O-N 3.29Å; K884-E887 PolarHBondContact O-N 3.34Å; E887-V889 VanDerWaalsContact C-N 3.29Å; E887-V889 PolarHBondContact O-N 3.31Å
888	A	38.3	Very low	32.6	Very low	78 Å²	78	121 Å²	121	65%	0.645	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-5	179.2	0	0	0	0	0	114.6	K884 I885	K884-A888 WeakPolarHBondContact O-CB 3.42Å; K884-A888 PolarHBondContact O-N 3.44Å; I885-A888 PolarHBondContact O-N 3.06Å
889	V	30	Very low	32	Very low	109 Å²	109	121.6 Å²	121.6	66%	0.661	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	19.4	-176.5	-175	0	0	0	0	112.5	I885 E887 V891	I885-V889 WeakPolarHBondContact O-CG2 3.42Å; E887-V889 VanDerWaalsContact C-N 3.29Å; E887-V889 PolarHBondContact O-N 3.31Å; V889-V891 VanDerWaalsContact C-N 3.32Å; V889-V891 PolarHBondContact O-N 3.34Å
890	E	27.6	Very low	31.6	Very low	181 Å²	181	124.7 Å²	124.7	85%	0.846	68%	0.676	S	S	*	*			trans	-72.9	85.6	160.1	-102.4	-175.8	168.9	0	0	109.8
891	V	28.7	Very low	31	Very low	119 Å²	119	131.1 Å²	131.1	72%	0.721	70%	0.701	S	S	*	*			trans	-101.4	107.2	168.9	-177.7	0	0	0	0	108.9	V889 W893	V889-V891 VanDerWaalsContact C-N 3.32Å; V889-V891 PolarHBondContact O-N 3.34Å; V891-W893 PolarHBondContact O-N 3.17Å
892	D	27.1	Very low	30.3	Very low	163 Å²	163	134.9 Å²	134.9	87%	0.872	72%	0.723	S	S	*	*			trans	-43	116	173.3	-83	-40.2	0	0	0	113.4
893	W	24.7	Very low	29.8	Very low	231 Å²	231	137 Å²	137	88%	0.875	73%	0.731	S	S	*	*			trans	-129.4	54.4	165.2	67.1	-79.6	0	0	0	111.3	V891	V891-W893 PolarHBondContact O-N 3.17Å
894	L	24	Very low	29.4	Very low	155 Å²	155	140 Å²	140	81%	0.812	74%	0.744	S	S	*	*			trans	-136.2	94.7	165.9	-85.6	168.2	0	0	0	108.9
895	T	26.7	Very low	29	Very low	136 Å²	136	141.8 Å²	141.8	83%	0.834	76%	0.759	S	S	*	*			trans	160.8	84.5	132	45.7	0	0	0	0	110.5
896	E	29	Very low	28.6	Very low	201 Å²	201	144.2 Å²	144.2	94%	0.939	77%	0.771	S	S	*	*			trans	-134.1	75	147.7	-86.8	-169.1	168.3	0	0	107.8
897	G	25.1	Very low	28.4	Very low	66 Å²	66	148.7 Å²	148.7	68%	0.68	78%	0.779	S	S	*	*			trans	-72.1	145.7	156	0	0	0	0	0	109.3
898	L	23.7	Very low	27.9	Very low	159 Å²	159	149.2 Å²	149.2	83%	0.832	79%	0.785	S	S	*	*			trans	89.1	111.3	142	-70.6	164	0	0	0	118.3
899	I	25.4	Very low	27.5	Very low	140 Å²	140	151.6 Å²	151.6	72%	0.718	79%	0.787	S	S	*	*			trans	107.4	110.4	131.6	-59.3	152	0	0	0	116.2
900	K	28	Very low	27.4	Very low	188 Å²	188	157.8 Å²	157.8	82%	0.817	82%	0.815	S	S	*	*				150.7	97.8	128.6	-82.1	-179.5	-174	179	0	107.7
901	E	26.7	Very low	27.4	Very low	181 Å²	181	156.6 Å²	156.6	85%	0.846	81%	0.813	S	S	*	*				36.2	126.5	79.2	-87.4	-173.6	174.4	0	0	114
902	D	27.7	Very low	27.3	Very low	147 Å²	147	158.6 Å²	158.6	79%	0.786	82%	0.818	S	S	*	*			trans	79.3	132.8	176.1	-57.8	-22.5	0	0	0	115.7
903	T	27.2	Very low	27.4	Very low	105 Å²	105	158.3 Å²	158.3	64%	0.644	82%	0.815	S	S	*	*			cis	-177	147.3	-12.6	18.7	0	0	0	0	102.7
904	D	29.9	Very low	27.5	Very low	136 Å²	136	154.1 Å²	154.1	73%	0.727	81%	0.812	S	S	*	*			trans	70.3	143.2	155.3	-53.5	-28.9	0	0	0	119.1
905	D	31.7	Very low	27.7	Very low	151 Å²	151	154 Å²	154	81%	0.807	81%	0.812	S	S	*	*			trans	78	67.9	160.8	-52.8	-25	0	0	0	118.8
906	I	29.5	Very low	27.8	Very low	164 Å²	164	155.2 Å²	155.2	84%	0.841	81%	0.81	S	S	*	*			trans	-124.7	86	143.6	-55.5	-179.4	0	0	0	108.9	I908	I906-I908 PolarHBondContact O-N 3.14Å
907	E	30	Very low	27.7	Very low	169 Å²	169	151.9 Å²	151.9	79%	0.79	80%	0.801	S	S	*	*			trans	-64.7	109.2	165	-152.2	176.4	-155.4	0	0	108.1	N909	E907-N909 PolarHBondContact O-N 3.28Å; E907-N909 VanDerWaalsContact O-N 3.14Å
908	I	25.8	Very low	27.9	Very low	155 Å²	155	158.5 Å²	158.5	80%	0.795	81%	0.81	S	S	*	*			trans	-68.2	106.3	172.8	-61.5	169.8	0	0	0	107.1	I906	I906-I908 PolarHBondContact O-N 3.14Å
909	N	28.2	Very low	28.3	Very low	127 Å²	127	158.5 Å²	158.5	68%	0.679	81%	0.809	S	S	*	*			trans	-124.4	106.4	168.1	-101.7	-46.1	0	0	0	110.4	E907	E907-N909 PolarHBondContact O-N 3.28Å; E907-N909 VanDerWaalsContact O-N 3.14Å
910	L	29.2	Very low	28.5	Very low	239 Å²	239	160.2 Å²	160.2	100%	1.251	82%	0.817	S	S	*	*			trans	72	0	169.9	-68.6	164.6	0	0	0	118

Retrieved 910 of 910 residues in 1825.4 ms (Link to these results)

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