A0A077YXD0_TRITR Loading...

Gut esterase 1

AlphaFold DB , UniProt , Accession A0A077YXD0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 672 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	40.8	Very low	209 Å²	209	120 Å²	120	100%	1.03	67%	0.67	S	S	*	*				0	-41.1	0	-82.8	-174.5	165.4	0	0	113.7	A3 Q4	M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.09Å; M1-Q4 PolarHBondContact O-N 3.16Å
2	L	37.3	Very low	40.8	Very low	162 Å²	162	116.8 Å²	116.8	85%	0.848	66%	0.655	S	S	*	*	H	α-helix	trans	-66.1	-26.5	179.1	-78.4	157.5	0	0	0	115.4
3	A	37	Very low	40.3	Very low	77 Å²	77	122.5 Å²	122.5	64%	0.636	66%	0.661	S	S	*	*	H	α-helix	trans	-73.8	-25.9	178.1	0	0	0	0	0	114.2	M1	M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.09Å
4	Q	43.8	Very low	40.3	Very low	152 Å²	152	121.7 Å²	121.7	71%	0.71	66%	0.662	S	S	*	*	H	α-helix	trans	-78.4	-27.1	179.3	-81.1	178.9	-26.6	0	0	112.4	M1 A6 L7	M1-Q4 PolarHBondContact O-N 3.16Å; Q4-A6 VanDerWaalsContact C-N 3.33Å; Q4-L7 PolarHBondContact O-N 3.47Å
5	V	43.8	Very low	40.3	Very low	104 Å²	104	119.9 Å²	119.9	63%	0.63	66%	0.656	S	S	*	*	H	α-helix	trans	-72	-29.3	175.8	-177.8	0	0	0	0	111.4	V8 S9	V5-V8 PolarHBondContact O-N 3.43Å; V5-S9 PolarHBondContact O-N 3.05Å; V5-S9 PolarHBondContact O-OG 3.19Å
6	A	41.1	Very low	40.2	Very low	54 Å²	54	116.7 Å²	116.7	45%	0.446	64%	0.644	S	S	.	*	H	α-helix	trans	-72.7	-25.6	177.9	0	0	0	0	0	114.1	Q4 S9 R10	Q4-A6 VanDerWaalsContact C-N 3.33Å; A6-S9 PolarHBondContact O-OG 3.05Å; A6-R10 PolarHBondContact O-N 3.35Å
7	L	43.4	Very low	39.9	Very low	141 Å²	141	117.1 Å²	117.1	74%	0.738	64%	0.64	S	S	*	*	H	α-helix	trans	-77.6	-34.1	175.4	-102.2	136.2	0	0	0	112	Q4 G11	Q4-L7 PolarHBondContact O-N 3.47Å; L7-G11 PolarHBondContact O-N 3.14Å
8	V	44	Very low	39.9	Very low	104 Å²	104	114.1 Å²	114.1	63%	0.63	63%	0.633	S	S	*	*	H	α-helix	trans	-73	-34.4	176.1	-178.1	0	0	0	0	111.2	V5 R10 G11 V12	V5-V8 PolarHBondContact O-N 3.43Å; V8-R10 PolarHBondContact O-N 3.4Å; V8-G11 PolarHBondContact O-N 3.49Å; V8-V12 WeakPolarHBondContact O-CG2 3.39Å; V8-V12 PolarHBondContact O-N 3.49Å
9	S	42.2	Very low	39.8	Very low	67 Å²	67	110.9 Å²	110.9	47%	0.469	62%	0.624	S	S	.	*	H	α-helix	trans	-70.9	-28.5	177.3	65.1	0	0	0	0	113.8	V5 A6	V5-S9 PolarHBondContact O-N 3.05Å; V5-S9 PolarHBondContact O-OG 3.19Å; A6-S9 PolarHBondContact O-OG 3.05Å
10	R	39.2	Very low	39.5	Very low	206 Å²	206	109.7 Å²	109.7	78%	0.777	62%	0.615	S	S	*	*	H	α-helix	trans	-74.7	-30.7	172.7	-79.7	-172.8	173.5	-175.1	-1	113.4	A6 V8	A6-R10 PolarHBondContact O-N 3.35Å; V8-R10 PolarHBondContact O-N 3.4Å
11	G	40.7	Very low	39.5	Very low	44 Å²	44	109.6 Å²	109.6	45%	0.454	62%	0.617	S	S	.	*	H	α-helix	trans	-66	-37.4	175.6	0	0	0	0	0	113.3	L7 V8	L7-G11 PolarHBondContact O-N 3.14Å; V8-G11 PolarHBondContact O-N 3.49Å
12	V	40.9	Very low	39.3	Very low	82 Å²	82	108.6 Å²	108.6	50%	0.497	61%	0.607	S	S	.	*	H	α-helix	trans	-74.7	-26.4	-177.6	178.6	0	0	0	0	112.6	V8 T15 C16	V8-V12 WeakPolarHBondContact O-CG2 3.39Å; V8-V12 PolarHBondContact O-N 3.49Å; V12-T15 PolarHBondContact O-OG1 3.18Å; V12-C16 PolarHBondContact O-N 2.99Å
13	W	33.7	Very low	39.1	Very low	191 Å²	191	106.8 Å²	106.8	72%	0.723	60%	0.597	S	S	*	*	H	α-helix	trans	-76.4	-29.9	177.4	-88.6	69.9	0	0	0	113.6	C16 H17	W13-C16 PolarHBondContact O-N 3.13Å; W13-H17 PolarHBondContact O-N 2.96Å
14	V	41	Very low	38.8	Very low	111 Å²	111	110.2 Å²	110.2	67%	0.673	60%	0.598	S	S	*	*	H	α-helix	trans	-71.9	-32.3	176.6	179.4	0	0	0	0	111.3	A18	V14-A18 PolarHBondContact O-N 3.47Å
15	T	39.7	Very low	38.2	Very low	94 Å²	94	106.3 Å²	106.3	58%	0.577	60%	0.599	S	S	*	*	H	α-helix	trans	-73.5	-30.4	175.1	46.3	0	0	0	0	113.4	V12 A19	V12-T15 PolarHBondContact O-OG1 3.18Å; T15-A19 PolarHBondContact O-N 3.19Å
16	C	38.9	Very low	37.7	Very low	69 Å²	69	106.3 Å²	106.3	47%	0.466	60%	0.603	S	S	.	*	H	α-helix	trans	-74.3	-30.7	177	-82	0	0	0	0	113.4	V12 W13 L20	V12-C16 PolarHBondContact O-N 2.99Å; W13-C16 PolarHBondContact O-N 3.13Å; C16-L20 WeakPolarHBondContact O-CB 3.44Å; C16-L20 PolarHBondContact O-N 2.9Å; C16-L20 VanDerWaalsContact O-N 3.08Å
17	H	35.7	Very low	37.2	Very low	123 Å²	123	109.8 Å²	109.8	57%	0.569	61%	0.614	S	S	*	*	H	α-helix	trans	-75.8	-30.7	174.1	-91.8	-21.1	0	0	0	113.7	W13 A19 L20 V21	W13-H17 PolarHBondContact O-N 2.96Å; H17-A19 VanDerWaalsContact C-N 3.34Å; H17-L20 PolarHBondContact O-N 3.38Å; H17-V21 VanDerWaalsContact O-CG2 3.31Å; H17-V21 WeakPolarHBondContact O-CG2 3.41Å; H17-V21 PolarHBondContact O-N 3.01Å
18	A	39	Very low	36.6	Very low	63 Å²	63	111.6 Å²	111.6	52%	0.521	62%	0.618	S	S	.	*	H	α-helix	trans	-65.9	-36.9	172	0	0	0	0	0	112.1	V14 F22	V14-A18 PolarHBondContact O-N 3.47Å; A18-F22 WeakPolarHBondContact O-CD2 3.37Å
19	A	37.8	Very low	35.9	Very low	55 Å²	55	116.4 Å²	116.4	46%	0.455	63%	0.631	S	S	.	*	H	α-helix	trans	-74.9	-33.7	176.7	0	0	0	0	0	113.4	T15 H17 F22 L23	T15-A19 PolarHBondContact O-N 3.19Å; H17-A19 VanDerWaalsContact C-N 3.34Å; A19-F22 PolarHBondContact O-N 2.89Å; A19-L23 PolarHBondContact O-N 3.25Å
20	L	34.9	Very low	35.4	Very low	86 Å²	86	118 Å²	118	45%	0.45	65%	0.648	S	S	.	*	H	α-helix	trans	-79.8	-27.8	180	-85.3	157.6	0	0	0	113.9	C16 H17 F22 L23 F24	C16-L20 WeakPolarHBondContact O-CB 3.44Å; C16-L20 PolarHBondContact O-N 2.9Å; C16-L20 VanDerWaalsContact O-N 3.08Å; H17-L20 PolarHBondContact O-N 3.38Å; L20-F22 VanDerWaalsContact C-N 3.26Å; L20-F22 PolarHBondContact O-N 3.43Å; L20-L23 PolarHBondContact O-N 2.96Å; L20-F24 HydrophobicContact CD2-CD2 3.96Å; L20-F24 HydrophobicContact CD2-CE2 3.93Å; L20-F24 PolarHBondContact O-N 3.37Å
21	V	38.7	Very low	34.9	Very low	107 Å²	107	112.1 Å²	112.1	65%	0.648	64%	0.644	S	S	*	*	H	α-helix	trans	-70.2	-26.3	170.6	174.5	0	0	0	0	111.3	H17	H17-V21 VanDerWaalsContact O-CG2 3.31Å; H17-V21 WeakPolarHBondContact O-CG2 3.41Å; H17-V21 PolarHBondContact O-N 3.01Å
22	F	32.2	Very low	34.3	Very low	188 Å²	188	118.3 Å²	118.3	83%	0.825	66%	0.664	S	S	*	*	H	α-helix	trans	-79	-23.6	172.3	-93.9	-83.3	0	0	0	114.2	A18 A19 L20	A18-F22 WeakPolarHBondContact O-CD2 3.37Å; A19-F22 PolarHBondContact O-N 2.89Å; L20-F22 VanDerWaalsContact C-N 3.26Å; L20-F22 PolarHBondContact O-N 3.43Å
23	L	33.2	Very low	33.7	Very low	124 Å²	124	117.4 Å²	117.4	65%	0.649	67%	0.672	S	S	*	*	H	α-helix	trans	-93.6	-17.4	-179.9	-82.1	163.7	0	0	0	115	A19 L20	A19-L23 PolarHBondContact O-N 3.25Å; L20-L23 PolarHBondContact O-N 2.96Å
24	F	31.5	Very low	33.3	Very low	150 Å²	150	114.4 Å²	114.4	66%	0.658	68%	0.68	S	S	*	*	S	Bend	trans	-112.5	9.9	-180	-81.5	-79.1	0	0	0	115.6	L20 S26	L20-F24 HydrophobicContact CD2-CD2 3.96Å; L20-F24 HydrophobicContact CD2-CE2 3.93Å; L20-F24 PolarHBondContact O-N 3.37Å; F24-S26 VanDerWaalsContact C-N 3.31Å; F24-S26 PolarHBondContact O-N 3.5Å
25	G	31.1	Very low	32.6	Very low	70 Å²	70	115.1 Å²	115.1	72%	0.722	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-7	174.4	0	0	0	0	0	115.9
26	S	32.4	Very low	32.1	Very low	103 Å²	103	113.7 Å²	113.7	72%	0.72	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	6.4	-168.2	46.2	0	0	0	0	116.1	F24	F24-S26 VanDerWaalsContact C-N 3.31Å; F24-S26 PolarHBondContact O-N 3.5Å
27	L	32.2	Very low	31.5	Very low	127 Å²	127	119.2 Å²	119.2	67%	0.665	71%	0.707	S	S	*	*	S	Bend	trans	-103.9	12.9	179.8	-92.7	161.9	0	0	0	116.2
28	H	29.6	Very low	31.1	Very low	180 Å²	180	124.5 Å²	124.5	83%	0.833	72%	0.722	S	S	*	*	S	Bend	trans	-123.1	24.9	-179	-89.8	-3.4	0	0	0	117.6
29	F	29.7	Very low	30.6	Very low	205 Å²	205	130.1 Å²	130.1	90%	0.899	74%	0.742	S	S	*	*			trans	-132.1	34.1	164.8	-87.9	-79.7	0	0	0	114.2
30	A	30.8	Very low	30.2	Very low	101 Å²	101	130.9 Å²	130.9	84%	0.835	76%	0.755	S	S	*	*	S	Bend	trans	-103.6	50.3	167.8	0	0	0	0	0	111.6
31	A	29.9	Very low	29.7	Very low	82 Å²	82	134.2 Å²	134.2	68%	0.678	77%	0.773	S	S	*	*			trans	-168.6	87.8	163.3	0	0	0	0	0	109
32	I	27.6	Very low	29.4	Very low	173 Å²	173	134.9 Å²	134.9	89%	0.887	78%	0.778	S	S	*	*	S	Bend	trans	-173.3	115.3	142.6	-84.6	139.5	0	0	0	106.2
33	G	27.8	Very low	29.2	Very low	63 Å²	63	133.4 Å²	133.4	65%	0.649	78%	0.779	S	S	*	*			trans	85.6	60.6	150.1	0	0	0	0	0	117.6	V35	G33-V35 PolarHBondContact O-N 3.48Å
34	S	24.7	Very low	28.9	Very low	129 Å²	129	133 Å²	133	90%	0.902	79%	0.786	S	S	*	*			trans	-66.6	75.6	149.4	58.6	0	0	0	0	109.4	G36	S34-G36 VanDerWaalsContact C-N 3.31Å; S34-G36 PolarHBondContact O-N 2.91Å
35	V	27.9	Very low	29	Very low	125 Å²	125	130.6 Å²	130.6	76%	0.758	78%	0.779	S	S	*	*			trans	-82.1	90.7	162.3	179.9	0	0	0	0	105.8	G33 H37	G33-V35 PolarHBondContact O-N 3.48Å; V35-H37 PolarHBondContact O-N 3.31Å
36	G	28	Very low	29.2	Very low	65 Å²	65	130.8 Å²	130.8	67%	0.67	77%	0.77	S	S	*	*			trans	-57.8	109.9	173.4	0	0	0	0	0	109.8	S34 R38	S34-G36 VanDerWaalsContact C-N 3.31Å; S34-G36 PolarHBondContact O-N 2.91Å; G36-R38 PolarHBondContact O-N 2.96Å
37	H	27.6	Very low	29.6	Very low	185 Å²	185	132.6 Å²	132.6	86%	0.856	77%	0.771	S	S	*	*			trans	-66.6	92	158.3	-99.6	-78.6	0	0	0	107.3	V35 L39	V35-H37 PolarHBondContact O-N 3.31Å; H37-L39 PolarHBondContact O-N 3.35Å
38	R	26.5	Very low	30.7	Very low	233 Å²	233	129.6 Å²	129.6	88%	0.879	77%	0.771	S	S	*	*			trans	-58.4	129.1	163.1	-77.1	-177.4	177.6	-177.1	-0.5	107.8	G36 G40	G36-R38 PolarHBondContact O-N 2.96Å; R38-G40 VanDerWaalsContact C-N 3.31Å; R38-G40 PolarHBondContact O-N 2.98Å
39	L	29.4	Very low	33.3	Very low	182 Å²	182	125 Å²	125	95%	0.953	75%	0.752	S	S	*	*			trans	-55.4	96.4	165.6	-75.4	149.4	0	0	0	107.6	H37	H37-L39 PolarHBondContact O-N 3.35Å
40	G	27.7	Very low	36.4	Very low	70 Å²	70	120.5 Å²	120.5	72%	0.722	73%	0.73	S	S	*	*			trans	-88.9	132.3	178.3	0	0	0	0	0	110.1	R38	R38-G40 VanDerWaalsContact C-N 3.31Å; R38-G40 PolarHBondContact O-N 2.98Å
41	D	25.4	Very low	39.4	Very low	156 Å²	156	116.8 Å²	116.8	83%	0.834	70%	0.697	S	S	*	*			trans	-47	151	179.6	-73.7	-53	0	0	0	115.3	N43	D41-N43 PolarHBondContact O-N 3.3Å
42	T	31.3	Very low	42.6	Very low	122 Å²	122	119.6 Å²	119.6	75%	0.748	69%	0.69	S	S	*	*	S	Bend	trans	-46.4	115.5	167.5	50.4	0	0	0	0	112.4
43	N	29	Very low	45.8	Very low	156 Å²	156	113.3 Å²	113.3	83%	0.834	66%	0.655	S	S	*	*			trans	158	49.8	141.9	-80.9	-17.9	0	0	0	114.3	D41	D41-N43 PolarHBondContact O-N 3.3Å
44	S	26	Very low	49	Very low	115 Å²	115	115.4 Å²	115.4	80%	0.804	65%	0.647	S	S	*	*			trans	-143.7	70.5	157.1	58.4	0	0	0	0	110.1	S46	S44-S46 PolarHBondContact O-N 3.42Å
45	I	33.8	Very low	52.4	Low	100 Å²	100	109.8 Å²	109.8	51%	0.513	61%	0.608	S	S	.	*			trans	-65.1	106	164.7	-56.9	172	0	0	0	105.6	D47 Y50	I45-D47 WeakPolarHBondContact CG2-OD1 3.34Å; I45-D47 PolarHBondContact O-N 2.88Å; I45-Y50 HydrophobicContact CG2-CD2 4.46Å
46	S	35.4	Very low	55.6	Low	75 Å²	75	108 Å²	108	52%	0.524	59%	0.592	S	S	.	*			trans	-64.9	89.6	162.5	45.4	0	0	0	0	107.4	S44 G48	S44-S46 PolarHBondContact O-N 3.42Å; S46-G48 PolarHBondContact O-N 3.46Å
47	D	42.3	Very low	58.8	Low	141 Å²	141	105.9 Å²	105.9	75%	0.754	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	3.3	-168.9	-92.8	-25.3	0	0	0	115.7	I45	I45-D47 WeakPolarHBondContact CG2-OD1 3.34Å; I45-D47 PolarHBondContact O-N 2.88Å
48	G	53.7	Low	62.1	Low	63 Å²	63	98 Å²	98	65%	0.649	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-16.4	-175.6	0	0	0	0	0	117.2	S46	S46-G48 PolarHBondContact O-N 3.46Å
49	L	84.9	Confident	65.5	Low	85 Å²	85	90.4 Å²	90.4	45%	0.445	51%	0.509	S	S	.	.	S	Bend	trans	-118.9	-15.3	-167.3	-86	139.1	0	0	0	115.2	F63 I64	L49-F63 CarbonylContact O-C 3.47Å; L49-F63 WeakPolarHBondContact O-CA 3.33Å; L49-F63 WeakPolarHBondContact O-CB 3.36Å; L49-I64 PolarHBondContact O-N 3.5Å
50	Y	94.1	Very high	68.7	Low	110 Å²	110	81.7 Å²	81.7	43%	0.431	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	143.6	-178.1	-63.5	-74.5	0	0	0	111.8	I45 I61 G62 F63 T106	I45-Y50 HydrophobicContact CG2-CD2 4.46Å; Y50-I61 HydrophobicContact CD1-CD1 4.17Å; Y50-I61 HydrophobicContact CD1-CG1 4.18Å; Y50-I61 HydrophobicContact CG-CD1 4.05Å; Y50-I61 HydrophobicContact CG-CG1 4.36Å; Y50-G62 WeakPolarHBondContact CA-O 3.46Å; Y50-G62 WeakPolarHBondContact CD1-O 3.48Å; Y50-F63 HydrophobicContact CD1-CB 4.33Å; Y50-T106 HydrophobicContact CD1-CG2 3.8Å; Y50-T106 HydrophobicContact CE1-CG2 3.67Å
51	V	95	Very high	72.1	Confident	23 Å²	23	79.8 Å²	79.8	14%	0.139	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.9	179.3	-77.7	0	0	0	0	109.7	I61 G62 I64 E73 Y75	V51-I61 WeakPolarHBondContact O-CA 3.45Å; V51-G62 PolarHBondContact N-O 3.04Å; V51-G62 PolarHBondContact O-N 3.33Å; V51-I64 HydrophobicContact CG1-CD1 3.68Å; V51-I64 HydrophobicContact CG1-CG1 3.57Å; V51-I64 HydrophobicContact CG2-CG1 4.32Å; V51-E73 HydrophobicContact CB-CG 4.49Å; V51-E73 HydrophobicContact CG1-CG 4.37Å; V51-E73 HydrophobicContact CG2-CB 4.03Å; V51-E73 HydrophobicContact CG2-CG 3.96Å; V51-Y75 HydrophobicContact CG2-CE1 4.4Å; V51-Y75 WeakPolarHBondContact CG2-OH 3.32Å
52	R	95.8	Very high	75.5	Confident	140 Å²	140	72.4 Å²	72.4	53%	0.528	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.2	-179.7	-60.5	-176.7	-170.5	-179.4	4.7	110.8	V60 I61	R52-V60 VanDerWaalsContact CA-O 3.29Å; R52-V60 WeakPolarHBondContact CA-O 3.32Å; R52-I61 HydrophobicContact CG-CB 4.36Å; R52-I61 HydrophobicContact CG-CG1 4.26Å
53	R	95.9	Very high	78.6	Confident	42 Å²	42	68.6 Å²	68.6	16%	0.158	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.7	173.2	-64.2	-72.6	-172.4	153.7	-0.4	109.2	E59 V60 E73 Y75 Y225 F226 D227	R53-E59 WeakPolarHBondContact O-CA 3.46Å; R53-V60 HydrophobicContact CB-CG2 4.23Å; R53-V60 PolarHBondContact N-O 3.2Å; R53-V60 PolarHBondContact O-N 3.37Å; R53-E73 IonicContact CZ-OE2 3.21Å; R53-E73 VanDerWaalsContact CZ-OE2 3.23Å; R53-E73 IonicContact NE-OE2 3.27Å; R53-E73 PolarHBondContact NE-OE2 2.95Å; R53-E73 VanDerWaalsContact NH2-CD 3.33Å; R53-E73 IonicContact NH2-OE1 2.77Å; R53-E73 PolarHBondContact NH2-OE1 2.86Å; R53-E73 IonicContact NH2-OE2 3.05Å; R53-E73 PolarHBondContact NH2-OE2 2.88Å; R53-Y75 HydrophobicContact CB-CE1 4.26Å; R53-Y75 HydrophobicContact CG-CE1 3.97Å; R53-Y75 HydrophobicContact CG-CE2 3.98Å; R53-Y75 WeakPolarHBondContact CG-OH 3.42Å; R53-Y225 WeakPolarHBondContact CD-O 3.41Å; R53-F226 HydrophobicContact CB-CD1 4.2Å; R53-F226 HydrophobicContact CB-CE1 3.88Å; R53-F226 HydrophobicContact CB-CZ 4.3Å; R53-F226 HydrophobicContact CG-CD1 4.1Å; R53-F226 HydrophobicContact CG-CE1 4.17Å; R53-D227 IonicContact CZ-OD2 3.23Å; R53-D227 VanDerWaalsContact CZ-OD2 3.3Å; R53-D227 VanDerWaalsContact NH1-CG 3.31Å; R53-D227 IonicContact NH1-OD1 2.81Å; R53-D227 IonicContact NH1-OD2 2.88Å; R53-D227 PolarHBondContact NH1-OD2 2.95Å; R53-D227 IonicContact NH2-OD2 2.77Å; R53-D227 PolarHBondContact NH2-OD2 3.46Å
54	H	95.3	Very high	81.8	Confident	106 Å²	106	62 Å²	62	49%	0.491	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	155.9	172.7	-65.5	-20.5	0	0	0	111	E59 Y225	H54-E59 IonicContact CE1-OE1 3.47Å; H54-E59 PolarHBondContact CE1-OE1 2.93Å; H54-E59 WeakPolarHBondContact ND1-CG 3.5Å; H54-E59 IonicContact ND1-OE1 2.72Å; H54-E59 PolarHBondContact ND1-OE1 3.42Å; H54-Y225 HydrophobicContact CB-CD1 4.48Å; H54-Y225 WeakPolarHBondContact O-CB 3.33Å
55	T	96.3	Very high	85.1	Confident	11 Å²	11	58.5 Å²	58.5	7%	0.067	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	167.3	164.7	75.3	0	0	0	0	107	L57 G58 V60 W99 W218 N222 F226	T55-L57 PolarHBondContact O-N 3.27Å; T55-L57 VanDerWaalsContact O-N 3.12Å; T55-L57 PolarHBondContact OG1-N 2.93Å; T55-L57 VanDerWaalsContact OG1-N 3.14Å; T55-G58 WeakPolarHBondContact CB-O 3.44Å; T55-G58 PolarHBondContact N-O 3.49Å; T55-G58 PolarHBondContact O-N 2.91Å; T55-G58 PolarHBondContact OG1-N 3.39Å; T55-G58 PolarHBondContact OG1-O 3.3Å; T55-V60 HydrophobicContact CG2-CG1 4.01Å; T55-V60 HydrophobicContact CG2-CG2 4.31Å; T55-W99 WeakPolarHBondContact OG1-CZ2 3.25Å; T55-W218 HydrophobicContact CG2-CZ2 4.03Å; T55-N222 WeakPolarHBondContact CB-OD1 3.5Å; T55-F226 HydrophobicContact CG2-CE2 3.88Å; T55-F226 HydrophobicContact CG2-CZ 3.88Å
56	M	95	Very high	87.8	Confident	87 Å²	87	59.3 Å²	59.3	43%	0.429	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-16.3	172.3	-70.3	-154	-80.2	0	0	113.6	K98 D221 N222 Y225	M56-K98 WeakPolarHBondContact O-CE 3.46Å; M56-D221 HydrophobicContact CE-CB 3.29Å; M56-N222 PolarHBondContact N-OD1 2.93Å; M56-Y225 HydrophobicContact CG-CE2 3.87Å
57	L	94.5	Very high	90.1	Very high	21 Å²	21	56.9 Å²	56.9	11%	0.11	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-14.6	-179.7	-61.9	165.9	0	0	0	113.2	T55 P96 K98 W99	T55-L57 PolarHBondContact O-N 3.27Å; T55-L57 VanDerWaalsContact O-N 3.12Å; T55-L57 PolarHBondContact OG1-N 2.93Å; T55-L57 VanDerWaalsContact OG1-N 3.14Å; L57-P96 HydrophobicContact CD1-CG 3.45Å; L57-P96 VanDerWaalsContact CD1-CG 3.45Å; L57-P96 HydrophobicContact CD2-CG 3.99Å; L57-P96 HydrophobicContact CG-CG 4.33Å; L57-K98 CarbonylContact O-C 3.52Å; L57-K98 WeakPolarHBondContact O-CA 3.3Å; L57-K98 WeakPolarHBondContact O-CB 3.42Å; L57-W99 HydrophobicContact CB-CD2 4.38Å; L57-W99 HydrophobicContact CB-CE3 3.9Å; L57-W99 HydrophobicContact CB-CH2 3.39Å; L57-W99 HydrophobicContact CB-CZ2 3.88Å; L57-W99 HydrophobicContact CB-CZ3 3.4Å; L57-W99 HydrophobicContact CD1-CH2 3.84Å; L57-W99 HydrophobicContact CD1-CZ3 3.78Å; L57-W99 HydrophobicContact CG-CH2 4.28Å; L57-W99 HydrophobicContact CG-CZ3 4.2Å; L57-W99 PolarHBondContact O-N 3.5Å
58	G	96.2	Very high	91.8	Very high	20 Å²	20	59.2 Å²	59.2	21%	0.206	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	137.9	-179.5	-177.9	0	0	0	0	0	112.5	T55 W99	T55-G58 WeakPolarHBondContact CB-O 3.44Å; T55-G58 PolarHBondContact N-O 3.49Å; T55-G58 PolarHBondContact O-N 2.91Å; T55-G58 PolarHBondContact OG1-N 3.39Å; T55-G58 PolarHBondContact OG1-O 3.3Å; G58-W99 VanDerWaalsContact CA-NE1 3.32Å
59	E	97.6	Very high	92.9	Very high	73 Å²	73	63 Å²	63	34%	0.341	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	144	-179.5	-58.3	-156.6	67.5	0	0	112.6	R53 H54 W99 V102 Y103	R53-E59 WeakPolarHBondContact O-CA 3.46Å; H54-E59 IonicContact CE1-OE1 3.47Å; H54-E59 PolarHBondContact CE1-OE1 2.93Å; H54-E59 WeakPolarHBondContact ND1-CG 3.5Å; H54-E59 IonicContact ND1-OE1 2.72Å; H54-E59 PolarHBondContact ND1-OE1 3.42Å; E59-W99 PolarHBondContact O-NE1 3.48Å; E59-V102 HydrophobicContact CB-CB 4.36Å; E59-V102 HydrophobicContact CB-CG1 4.17Å; E59-V102 HydrophobicContact CB-CG2 4.04Å; E59-Y103 PolarHBondContact O-N 3.36Å
60	V	97.9	Very high	93	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.1	171.7	-58.9	0	0	0	0	110.9	R52 R53 T55 Y75 I78 W99 Y103 A105 F226	R52-V60 VanDerWaalsContact CA-O 3.29Å; R52-V60 WeakPolarHBondContact CA-O 3.32Å; R53-V60 HydrophobicContact CB-CG2 4.23Å; R53-V60 PolarHBondContact N-O 3.2Å; R53-V60 PolarHBondContact O-N 3.37Å; T55-V60 HydrophobicContact CG2-CG1 4.01Å; T55-V60 HydrophobicContact CG2-CG2 4.31Å; V60-Y75 HydrophobicContact CB-CD1 4.47Å; V60-Y75 HydrophobicContact CG2-CD1 3.68Å; V60-Y75 HydrophobicContact CG2-CE1 4.01Å; V60-I78 HydrophobicContact CG1-CG1 4.39Å; V60-I78 HydrophobicContact CG1-CG2 4.43Å; V60-I78 HydrophobicContact CG2-CD1 4.41Å; V60-W99 HydrophobicContact CG1-CH2 4.45Å; V60-W99 HydrophobicContact CG1-CZ2 3.58Å; V60-Y103 WeakPolarHBondContact CA-O 3.5Å; V60-A105 HydrophobicContact CB-CB 4.43Å; V60-F226 HydrophobicContact CG2-CE1 4.11Å; V60-F226 HydrophobicContact CG2-CZ 3.91Å
61	I	98.2	Very high	92.9	Very high	30 Å²	30	56.2 Å²	56.2	15%	0.154	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.2	170.7	-171	170	0	0	0	109.8	Y50 V51 R52 V102 Y103 N104 A105 T106	Y50-I61 HydrophobicContact CD1-CD1 4.17Å; Y50-I61 HydrophobicContact CD1-CG1 4.18Å; Y50-I61 HydrophobicContact CG-CD1 4.05Å; Y50-I61 HydrophobicContact CG-CG1 4.36Å; V51-I61 WeakPolarHBondContact O-CA 3.45Å; R52-I61 HydrophobicContact CG-CB 4.36Å; R52-I61 HydrophobicContact CG-CG1 4.26Å; I61-V102 HydrophobicContact CB-CG1 3.71Å; I61-V102 HydrophobicContact CG2-CG1 3.95Å; I61-Y103 WeakPolarHBondContact CG2-O 3.43Å; I61-Y103 PolarHBondContact N-O 2.89Å; I61-N104 HydrophobicContact CG2-CB 4.37Å; I61-A105 CarbonylContact O-C 3.58Å; I61-A105 VanDerWaalsContact O-C 3.22Å; I61-A105 VanDerWaalsContact O-CA 3.27Å; I61-A105 WeakPolarHBondContact O-CA 3.42Å; I61-A105 WeakPolarHBondContact O-CB 3.13Å; I61-A105 PolarHBondContact O-N 2.96Å; I61-T106 HydrophobicContact CG2-CG2 4.41Å
62	G	97.8	Very high	92.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	-165.2	172.7	0	0	0	0	0	110	Y50 V51 C74	Y50-G62 WeakPolarHBondContact CA-O 3.46Å; Y50-G62 WeakPolarHBondContact CD1-O 3.48Å; V51-G62 PolarHBondContact N-O 3.04Å; V51-G62 PolarHBondContact O-N 3.33Å; G62-C74 WeakPolarHBondContact CA-O 3.28Å
63	F	96.8	Very high	92.9	Very high	42 Å²	42	49.2 Å²	49.2	18%	0.184	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	160.8	179.5	67.1	-85.8	0	0	0	112.5	L49 Y50 H65 C74 L76 T106 I169	L49-F63 CarbonylContact O-C 3.47Å; L49-F63 WeakPolarHBondContact O-CA 3.33Å; L49-F63 WeakPolarHBondContact O-CB 3.36Å; Y50-F63 HydrophobicContact CD1-CB 4.33Å; F63-H65 HydrophobicContact CE2-CB 4.2Å; F63-C74 HydrophobicContact CD1-CB 4.19Å; F63-C74 HydrophobicContact CD2-CB 4.36Å; F63-C74 HydrophobicContact CE1-CB 3.73Å; F63-C74 HydrophobicContact CE2-CB 3.93Å; F63-C74 HydrophobicContact CG-CB 4.49Å; F63-C74 HydrophobicContact CZ-CB 3.6Å; F63-C74 PolarHBondContact N-O 3.5Å; F63-C74 PolarHBondContact O-N 2.93Å; F63-L76 HydrophobicContact CE1-CD1 3.66Å; F63-L76 HydrophobicContact CE1-CG 4.11Å; F63-L76 HydrophobicContact CZ-CD1 3.99Å; F63-T106 VanDerWaalsContact CE1-O 3.29Å; F63-T106 WeakPolarHBondContact CE1-O 3.5Å; F63-I169 HydrophobicContact CZ-CD1 3.95Å
64	I	95.9	Very high	93	Very high	18 Å²	18	47.2 Å²	47.2	9%	0.092	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.8	175.1	-58.1	161.2	0	0	0	109.1	L49 V51 A72 H140	L49-I64 PolarHBondContact O-N 3.5Å; V51-I64 HydrophobicContact CG1-CD1 3.68Å; V51-I64 HydrophobicContact CG1-CG1 3.57Å; V51-I64 HydrophobicContact CG2-CG1 4.32Å; I64-A72 WeakPolarHBondContact CA-O 3.32Å; I64-H140 WeakPolarHBondContact CD1-CE1 3.19Å; I64-H140 WeakPolarHBondContact CD1-NE2 3.45Å
65	H	94.3	Very high	93.2	Very high	41 Å²	41	42.1 Å²	42.1	19%	0.19	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	118.4	167.6	179.6	77	0	0	0	109.5	F63 S71 A72 I169	F63-H65 HydrophobicContact CE2-CB 4.2Å; H65-S71 CarbonylContact O-C 3.52Å; H65-S71 WeakPolarHBondContact O-CA 3.37Å; H65-A72 PolarHBondContact N-O 3.38Å; H65-A72 PolarHBondContact O-N 3.47Å; H65-I169 HydrophobicContact CB-CG2 4.07Å
66	H	91.1	Very high	93.2	Very high	118 Å²	118	41.8 Å²	41.8	55%	0.546	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	100	175.7	-63.9	-75.8	0	0	0	110.1	S71	H66-S71 PolarHBondContact ND1-OG 3.29Å
67	G	84.2	Confident	93.4	Very high	24 Å²	24	37.7 Å²	37.7	25%	0.247	20%	0.196	C	C	.	.			trans	-89.6	165.6	173.4	0	0	0	0	0	112.4	Q69 A70	G67-Q69 VanDerWaalsContact C-N 3.32Å; G67-Q69 PolarHBondContact O-N 3.29Å; G67-A70 CarbonylContact C-O 3.51Å; G67-A70 WeakPolarHBondContact CA-O 3.37Å; G67-A70 PolarHBondContact N-O 2.93Å
68	Q	78	Confident	93.6	Very high	189 Å²	189	36.7 Å²	36.7	88%	0.883	19%	0.19	S	C	*	.	S	Bend	trans	-61.8	-35.4	-179.4	-68.9	-176.5	-12.8	0	0	113.8
69	Q	76.6	Confident	93.6	Very high	144 Å²	144	36.3 Å²	36.3	67%	0.673	18%	0.184	S	C	*	.	S	Bend	trans	-107.8	-25.8	-175.3	-68.3	-178.9	-18.3	0	0	113.4	G67	G67-Q69 VanDerWaalsContact C-N 3.32Å; G67-Q69 PolarHBondContact O-N 3.29Å
70	A	86.1	Confident	93.7	Very high	22 Å²	22	32.9 Å²	32.9	18%	0.182	17%	0.168	C	C	.	.			trans	-156.2	151.4	-177.8	0	0	0	0	0	109.6	G67 V173	G67-A70 CarbonylContact C-O 3.51Å; G67-A70 WeakPolarHBondContact CA-O 3.37Å; G67-A70 PolarHBondContact N-O 2.93Å; A70-V173 HydrophobicContact CB-CG1 4.46Å; A70-V173 WeakPolarHBondContact O-CG1 3.35Å
71	S	92.2	Very high	93.6	Very high	29 Å²	29	33 Å²	33	20%	0.203	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	151	169.3	-57.6	0	0	0	0	110	H65 H66 H140	H65-S71 CarbonylContact O-C 3.52Å; H65-S71 WeakPolarHBondContact O-CA 3.37Å; H66-S71 PolarHBondContact ND1-OG 3.29Å; S71-H140 WeakPolarHBondContact O-CB 3.43Å; S71-H140 PolarHBondContact O-N 3.41Å
72	A	95.2	Very high	93.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	145.4	179	0	0	0	0	0	112.5	I64 H65 I137 V138 V173 V177	I64-A72 WeakPolarHBondContact CA-O 3.32Å; H65-A72 PolarHBondContact N-O 3.38Å; H65-A72 PolarHBondContact O-N 3.47Å; A72-I137 HydrophobicContact CB-CG2 3.69Å; A72-V138 CarbonylContact C-O 3.15Å; A72-V138 WeakPolarHBondContact CA-O 3.34Å; A72-V138 VanDerWaalsContact CB-O 3.28Å; A72-V138 WeakPolarHBondContact CB-O 3.35Å; A72-V173 HydrophobicContact CB-CB 4.37Å; A72-V173 HydrophobicContact CB-CG1 3.94Å; A72-V173 HydrophobicContact CB-CG2 3.46Å; A72-V173 VanDerWaalsContact CB-CG2 3.46Å; A72-V177 HydrophobicContact CB-CG1 4.07Å
73	E	96.3	Very high	93.6	Very high	16 Å²	16	36.8 Å²	36.8	8%	0.075	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.9	167.7	-61.5	174.1	-160.8	0	0	108.7	V51 R53 Y75 I137 V138 H140	V51-E73 HydrophobicContact CB-CG 4.49Å; V51-E73 HydrophobicContact CG1-CG 4.37Å; V51-E73 HydrophobicContact CG2-CB 4.03Å; V51-E73 HydrophobicContact CG2-CG 3.96Å; R53-E73 IonicContact CZ-OE2 3.21Å; R53-E73 VanDerWaalsContact CZ-OE2 3.23Å; R53-E73 IonicContact NE-OE2 3.27Å; R53-E73 PolarHBondContact NE-OE2 2.95Å; R53-E73 VanDerWaalsContact NH2-CD 3.33Å; R53-E73 IonicContact NH2-OE1 2.77Å; R53-E73 PolarHBondContact NH2-OE1 2.86Å; R53-E73 IonicContact NH2-OE2 3.05Å; R53-E73 PolarHBondContact NH2-OE2 2.88Å; E73-Y75 HydrophobicContact CB-CE2 3.76Å; E73-Y75 PolarHBondContact OE2-OH 3.38Å; E73-I137 WeakPolarHBondContact O-CA 3.46Å; E73-V138 HydrophobicContact CB-CB 4.31Å; E73-V138 PolarHBondContact N-O 3.43Å; E73-V138 PolarHBondContact O-N 3.44Å; E73-H140 HydrophobicContact CG-CB 4.17Å; E73-H140 WeakPolarHBondContact CG-ND1 3.42Å; E73-H140 IonicContact OE1-CE1 3.98Å; E73-H140 IonicContact OE1-ND1 3.15Å; E73-H140 PolarHBondContact OE1-ND1 2.81Å; E73-H140 VanDerWaalsContact OE1-ND1 3.15Å
74	C	97.7	Very high	93.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.2	-175.1	-62.4	0	0	0	0	110	G62 F63 L76	G62-C74 WeakPolarHBondContact CA-O 3.28Å; F63-C74 HydrophobicContact CD1-CB 4.19Å; F63-C74 HydrophobicContact CD2-CB 4.36Å; F63-C74 HydrophobicContact CE1-CB 3.73Å; F63-C74 HydrophobicContact CE2-CB 3.93Å; F63-C74 HydrophobicContact CG-CB 4.49Å; F63-C74 HydrophobicContact CZ-CB 3.6Å; F63-C74 PolarHBondContact N-O 3.5Å; F63-C74 PolarHBondContact O-N 2.93Å; C74-L76 HydrophobicContact CB-CD2 4.33Å; C74-L76 HydrophobicContact CB-CG 4.49Å
75	Y	98.5	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	104.9	171.8	-55.5	-89.7	0	0	0	108.2	V51 R53 V60 E73 I78 A105 N135 V136 V138 F226	V51-Y75 HydrophobicContact CG2-CE1 4.4Å; V51-Y75 WeakPolarHBondContact CG2-OH 3.32Å; R53-Y75 HydrophobicContact CB-CE1 4.26Å; R53-Y75 HydrophobicContact CG-CE1 3.97Å; R53-Y75 HydrophobicContact CG-CE2 3.98Å; R53-Y75 WeakPolarHBondContact CG-OH 3.42Å; V60-Y75 HydrophobicContact CB-CD1 4.47Å; V60-Y75 HydrophobicContact CG2-CD1 3.68Å; V60-Y75 HydrophobicContact CG2-CE1 4.01Å; E73-Y75 HydrophobicContact CB-CE2 3.76Å; E73-Y75 PolarHBondContact OE2-OH 3.38Å; Y75-I78 HydrophobicContact CG-CD1 4.48Å; Y75-A105 CarbonylContact C-O 3.48Å; Y75-A105 WeakPolarHBondContact CA-O 3.38Å; Y75-N135 CarbonylContact O-C 3.49Å; Y75-N135 VanDerWaalsContact O-CA 3.23Å; Y75-N135 WeakPolarHBondContact O-CA 3.15Å; Y75-V136 PolarHBondContact N-O 3.3Å; Y75-V136 PolarHBondContact O-N 3.02Å; Y75-V138 HydrophobicContact CE2-CG2 4.48Å; Y75-F226 HydrophobicContact CD1-CE1 4.13Å; Y75-F226 AromaticContact CD2-CD1 3.8Å; Y75-F226 HydrophobicContact CD2-CD1 3.8Å; Y75-F226 AromaticContact CD2-CE1 3.61Å; Y75-F226 HydrophobicContact CD2-CE1 3.61Å; Y75-F226 HydrophobicContact CE1-CE1 4.39Å; Y75-F226 AromaticContact CE2-CD1 3.86Å; Y75-F226 HydrophobicContact CE2-CD1 3.86Å; Y75-F226 AromaticContact CE2-CE1 3.89Å; Y75-F226 HydrophobicContact CE2-CE1 3.89Å; Y75-F226 HydrophobicContact CG-CD1 4.42Å; Y75-F226 AromaticContact CG-CE1 3.77Å; Y75-F226 HydrophobicContact CG-CE1 3.77Å
76	L	98	Very high	93.7	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.2	-172.8	-49.7	-179.8	0	0	0	108.8	F63 C74 A105 Y107 F108 N135 I169	F63-L76 HydrophobicContact CE1-CD1 3.66Å; F63-L76 HydrophobicContact CE1-CG 4.11Å; F63-L76 HydrophobicContact CZ-CD1 3.99Å; C74-L76 HydrophobicContact CB-CD2 4.33Å; C74-L76 HydrophobicContact CB-CG 4.49Å; L76-A105 PolarHBondContact N-O 3.31Å; L76-A105 CarbonylContact O-C 3.42Å; L76-A105 VanDerWaalsContact O-C 3.27Å; L76-A105 VanDerWaalsContact O-CA 3.27Å; L76-A105 WeakPolarHBondContact O-CA 3.39Å; L76-Y107 CarbonylContact C-O 3.53Å; L76-Y107 VanDerWaalsContact CB-C 3.44Å; L76-F108 HydrophobicContact CB-CD1 4.26Å; L76-F108 HydrophobicContact CB-CG 4.47Å; L76-F108 HydrophobicContact CD1-CD1 4.45Å; L76-F108 HydrophobicContact CD1-CD2 3.99Å; L76-F108 HydrophobicContact CD1-CE1 4.37Å; L76-F108 HydrophobicContact CD1-CE2 3.88Å; L76-F108 HydrophobicContact CD1-CG 4.28Å; L76-F108 HydrophobicContact CD1-CZ 4.09Å; L76-F108 HydrophobicContact CD2-CD1 4.32Å; L76-F108 HydrophobicContact CD2-CE1 3.8Å; L76-F108 HydrophobicContact CD2-CZ 3.95Å; L76-F108 HydrophobicContact CG-CE1 4.47Å; L76-N135 VanDerWaalsContact CA-OD1 3.26Å; L76-N135 WeakPolarHBondContact CA-OD1 3.39Å; L76-N135 HydrophobicContact CD2-CB 4.08Å; L76-I169 HydrophobicContact CD1-CD1 3.66Å; L76-I169 HydrophobicContact CD2-CD1 4.18Å
77	G	97.6	Very high	93.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.9	44.3	172.5	0	0	0	0	0	116.1	Y103 R109 Y133 L134 N135	G77-Y103 WeakPolarHBondContact O-CE1 3.25Å; G77-R109 VanDerWaalsContact CA-CG 3.47Å; G77-Y133 VanDerWaalsContact O-CD1 3.22Å; G77-Y133 WeakPolarHBondContact O-CD1 3.2Å; G77-L134 CarbonylContact C-O 3.55Å; G77-L134 WeakPolarHBondContact CA-O 3.25Å; G77-L134 PolarHBondContact N-O 3.19Å; G77-L134 VanDerWaalsContact N-O 3.12Å; G77-N135 PolarHBondContact N-OD1 3.34Å
78	I	98.4	Very high	94.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.9	171.7	-56.7	167	0	0	0	109.1	V60 Y75 W99 A105 Y133 L134 V136 W218 F226	V60-I78 HydrophobicContact CG1-CG1 4.39Å; V60-I78 HydrophobicContact CG1-CG2 4.43Å; V60-I78 HydrophobicContact CG2-CD1 4.41Å; Y75-I78 HydrophobicContact CG-CD1 4.48Å; I78-W99 HydrophobicContact CG2-CH2 4.24Å; I78-A105 HydrophobicContact CG1-CB 3.9Å; I78-Y133 WeakPolarHBondContact O-CA 3.25Å; I78-L134 HydrophobicContact CB-CD1 4.1Å; I78-L134 HydrophobicContact CD1-CD1 4.39Å; I78-L134 PolarHBondContact N-O 3.02Å; I78-L134 PolarHBondContact O-N 3.43Å; I78-V136 HydrophobicContact CD1-CG2 4.06Å; I78-W218 HydrophobicContact CB-CZ2 4.46Å; I78-W218 HydrophobicContact CD1-CH2 4.01Å; I78-W218 HydrophobicContact CD1-CZ2 4.31Å; I78-W218 HydrophobicContact CG2-CH2 4.32Å; I78-W218 HydrophobicContact CG2-CZ2 3.62Å; I78-F226 HydrophobicContact CD1-CE1 4.18Å; I78-F226 HydrophobicContact CD1-CZ 3.79Å
79	P	98	Very high	95.2	Very high	12 Å²	12	33.4 Å²	33.4	8%	0.078	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	131.9	177.4	25.9	-32.1	0	0	0	110.6	W99 Y103 Y133	P79-W99 HydrophobicContact CG-CE3 4.46Å; P79-W99 HydrophobicContact CG-CH2 4.29Å; P79-W99 HydrophobicContact CG-CZ3 3.77Å; P79-Y103 HydrophobicContact CG-CE1 4.41Å; P79-Y103 HydrophobicContact CG-CE2 4.09Å; P79-Y133 HydrophobicContact CB-CD1 3.87Å; P79-Y133 HydrophobicContact CB-CE1 3.66Å; P79-Y133 HydrophobicContact CG-CE1 4.23Å
80	F	97.9	Very high	96.1	Very high	2 Å²	2	27 Å²	27	1%	0.009	14%	0.142	C	C	.	.			trans	-112	-6.4	174.5	65.7	-104	0	0	0	113.3	L132 Y133 L134 N187 D211 V214 A215 W218	F80-L132 WeakPolarHBondContact CD1-O 3.45Å; F80-L132 HydrophobicContact CE1-CB 4.33Å; F80-L132 HydrophobicContact CE2-CB 3.93Å; F80-L132 HydrophobicContact CE2-CD2 4.4Å; F80-L132 HydrophobicContact CZ-CB 3.8Å; F80-L132 HydrophobicContact CZ-CD2 4.07Å; F80-L132 HydrophobicContact CZ-CG 4.48Å; F80-L132 PolarHBondContact N-O 2.92Å; F80-L132 VanDerWaalsContact N-O 3.14Å; F80-Y133 WeakPolarHBondContact CE1-O 2.96Å; F80-L134 HydrophobicContact CB-CD2 3.91Å; F80-L134 HydrophobicContact CD1-CB 3.97Å; F80-L134 HydrophobicContact CD1-CD2 3.81Å; F80-L134 HydrophobicContact CD1-CG 3.96Å; F80-L134 HydrophobicContact CE1-CB 4.4Å; F80-L134 HydrophobicContact CG-CD2 4.19Å; F80-N187 VanDerWaalsContact CZ-O 3.29Å; F80-N187 WeakPolarHBondContact CZ-O 3.39Å; F80-D211 WeakPolarHBondContact CE2-O 3.48Å; F80-V214 HydrophobicContact CD2-CG1 4.13Å; F80-V214 WeakPolarHBondContact O-CG1 3.45Å; F80-A215 HydrophobicContact CD1-CB 4.05Å; F80-A215 HydrophobicContact CD2-CB 3.87Å; F80-A215 HydrophobicContact CE1-CB 4.01Å; F80-A215 HydrophobicContact CE2-CB 3.86Å; F80-A215 HydrophobicContact CG-CB 3.98Å; F80-A215 HydrophobicContact CZ-CB 3.93Å; F80-W218 HydrophobicContact CB-CB 3.9Å; F80-W218 HydrophobicContact CB-CG 3.82Å
81	S	97.6	Very high	96.5	Very high	3 Å²	3	30 Å²	30	2%	0.021	15%	0.151	C	C	.	.	S	Bend	trans	-146.6	158.1	177.3	172.8	0	0	0	0	110.7	P93 E94 L132	S81-P93 WeakPolarHBondContact OG-CA 3.47Å; S81-P93 VanDerWaalsContact OG-CB 3.28Å; S81-P93 WeakPolarHBondContact OG-CB 3.21Å; S81-E94 CarbonylContact C-O 3.49Å; S81-E94 VanDerWaalsContact CA-O 3.27Å; S81-E94 WeakPolarHBondContact CA-O 3.44Å; S81-E94 PolarHBondContact OG-N 3.46Å; S81-E94 PolarHBondContact OG-O 3.46Å; S81-L132 WeakPolarHBondContact OG-CD1 3.43Å
82	K	97.3	Very high	96.7	Very high	57 Å²	57	31.2 Å²	31.2	25%	0.248	15%	0.152	C	C	.	.			trans	-55.6	144.1	162.5	-70.1	-175.6	177.8	-173	0	110.5	R88 E94 P95 E97	K82-R88 PolarHBondContact O-NH1 2.7Å; K82-E94 HydrophobicContact CD-CB 4.24Å; K82-E94 PolarHBondContact N-O 2.85Å; K82-P95 VanDerWaalsContact CE-O 3.25Å; K82-P95 WeakPolarHBondContact CE-O 3.31Å; K82-P95 WeakPolarHBondContact CG-O 3.35Å; K82-E97 VanDerWaalsContact CE-OE1 3.26Å; K82-E97 WeakPolarHBondContact CE-OE1 3.43Å; K82-E97 IonicContact NZ-OE1 2.78Å; K82-E97 PolarHBondContact NZ-OE1 2.84Å
83	P	97.1	Very high	96.8	Very high	52 Å²	52	31.9 Å²	31.9	34%	0.338	16%	0.156	S	C	.	.			trans	-55.5	128.7	175.2	-26.2	34.8	0	0	0	111.2	V85 R88 D130	P83-V85 HydrophobicContact CB-CG1 4.23Å; P83-V85 HydrophobicContact CB-CG2 4.02Å; P83-V85 PolarHBondContact O-N 3.48Å; P83-V85 VanDerWaalsContact O-N 3.07Å; P83-R88 PolarHBondContact O-NH1 3.36Å; P83-D130 HydrophobicContact CB-CB 3.99Å; P83-D130 WeakPolarHBondContact CB-OD1 3.1Å; P83-D130 WeakPolarHBondContact CG-OD1 3.43Å
84	P	97.2	Very high	96.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	17%	0.173	C	C	.	.			trans	-84.8	45.8	178.8	36.2	-37	0	0	0	111.9	R89 E129 L132 R189	P84-R89 VanDerWaalsContact O-CA 3.3Å; P84-R89 WeakPolarHBondContact O-CA 3.48Å; P84-R89 PolarHBondContact O-N 2.94Å; P84-E129 VanDerWaalsContact CD-O 3.26Å; P84-E129 WeakPolarHBondContact CD-O 3.44Å; P84-E129 WeakPolarHBondContact CG-O 3.44Å; P84-L132 HydrophobicContact CB-CD1 4.38Å; P84-L132 HydrophobicContact CG-CD1 3.87Å; P84-L132 HydrophobicContact CG-CG 4.05Å; P84-R189 HydrophobicContact CG-CG 4.3Å
85	V	96.9	Very high	96.4	Very high	41 Å²	41	40 Å²	40	25%	0.248	20%	0.203	C	C	.	.			trans	-101.9	163.9	-176.6	-57.7	0	0	0	0	111.7	P83 E87 R88 E129 D130	P83-V85 HydrophobicContact CB-CG1 4.23Å; P83-V85 HydrophobicContact CB-CG2 4.02Å; P83-V85 PolarHBondContact O-N 3.48Å; P83-V85 VanDerWaalsContact O-N 3.07Å; V85-E87 PolarHBondContact O-N 2.96Å; V85-R88 WeakPolarHBondContact O-CA 3.25Å; V85-R88 WeakPolarHBondContact O-CB 3.31Å; V85-R88 PolarHBondContact O-N 3.18Å; V85-E129 HydrophobicContact CG1-CB 3.74Å; V85-D130 HydrophobicContact CG1-CB 4.2Å
86	N	94.9	Very high	96.1	Very high	122 Å²	122	41 Å²	41	65%	0.652	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	51.5	-126.3	175.5	-54.6	-34.3	0	0	0	111.3	R88 R89	N86-R88 PolarHBondContact O-N 2.97Å; N86-R89 VanDerWaalsContact O-CB 3.29Å; N86-R89 WeakPolarHBondContact O-CB 3.41Å; N86-R89 PolarHBondContact O-N 3.38Å
87	E	94.3	Very high	95.8	Very high	146 Å²	146	47.2 Å²	47.2	68%	0.682	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-62.5	-12.1	178.1	-58.7	-178.4	-174.5	0	0	114.6	V85 K91 Q305	V85-E87 PolarHBondContact O-N 2.96Å; E87-K91 WeakPolarHBondContact O-CD 3.28Å; E87-K91 WeakPolarHBondContact O-CE 3.38Å; E87-K91 PolarHBondContact O-NZ 3.23Å; E87-Q305 VanDerWaalsContact C-NE2 3.29Å; E87-Q305 PolarHBondContact O-NE2 3.47Å
88	R	95.6	Very high	95.7	Very high	35 Å²	35	55 Å²	55	13%	0.132	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-95.1	-6.1	173.3	-64.2	-168	76.4	-90	-8.5	113.5	K82 P83 V85 N86 F90 K91 Y92 E94	K82-R88 PolarHBondContact O-NH1 2.7Å; P83-R88 PolarHBondContact O-NH1 3.36Å; V85-R88 WeakPolarHBondContact O-CA 3.25Å; V85-R88 WeakPolarHBondContact O-CB 3.31Å; V85-R88 PolarHBondContact O-N 3.18Å; N86-R88 PolarHBondContact O-N 2.97Å; R88-F90 PolarHBondContact O-N 3.26Å; R88-K91 WeakPolarHBondContact O-CB 3.05Å; R88-K91 PolarHBondContact O-N 2.79Å; R88-Y92 PolarHBondContact NH2-O 2.69Å; R88-E94 IonicContact CZ-OE2 3.25Å; R88-E94 IonicContact NE-OE2 3.56Å; R88-E94 PolarHBondContact NE-OE2 3.35Å; R88-E94 IonicContact NH2-OE2 3.85Å; R88-E94 PolarHBondContact NH2-OE2 3.5Å
89	R	96.1	Very high	95.5	Very high	16 Å²	16	56.9 Å²	56.9	6%	0.06	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	135.3	169.3	-170.5	-168.1	-71.8	168.4	-7.6	108.8	P84 N86 K91 E129 L304 Q305 V307	P84-R89 VanDerWaalsContact O-CA 3.3Å; P84-R89 WeakPolarHBondContact O-CA 3.48Å; P84-R89 PolarHBondContact O-N 2.94Å; N86-R89 VanDerWaalsContact O-CB 3.29Å; N86-R89 WeakPolarHBondContact O-CB 3.41Å; N86-R89 PolarHBondContact O-N 3.38Å; R89-K91 PolarHBondContact O-N 2.94Å; R89-E129 IonicContact CZ-OE1 2.67Å; R89-E129 IonicContact CZ-OE2 3.95Å; R89-E129 IonicContact NE-OE1 2.75Å; R89-E129 IonicContact NE-OE2 2.73Å; R89-E129 PolarHBondContact NE-OE2 2.68Å; R89-E129 VanDerWaalsContact NH2-CD 3.33Å; R89-E129 IonicContact NH2-OE1 3.27Å; R89-E129 PolarHBondContact NH2-OE1 3.31Å; R89-E129 IonicContact NH2-OE2 3.1Å; R89-E129 PolarHBondContact NH2-OE2 2.96Å; R89-L304 PolarHBondContact NH1-O 2.96Å; R89-Q305 HydrophobicContact CB-CG 4.3Å; R89-Q305 PolarHBondContact NH1-O 3.08Å; R89-Q305 PolarHBondContact O-NE2 3.46Å; R89-V307 PolarHBondContact NH1-O 2.64Å
90	F	95	Very high	95.2	Very high	8 Å²	8	61.3 Å²	61.3	4%	0.035	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	23.2	-172.5	-50.9	-68.2	0	0	0	114.9	R88 P192 L196 L203 Y207 L301 L304 M312	R88-F90 PolarHBondContact O-N 3.26Å; F90-P192 WeakPolarHBondContact CE1-O 3.35Å; F90-L196 HydrophobicContact CE1-CB 4.21Å; F90-L196 HydrophobicContact CE1-CD1 4.35Å; F90-L196 HydrophobicContact CZ-CD1 4.47Å; F90-L203 HydrophobicContact CB-CD2 4Å; F90-L203 HydrophobicContact CG-CD2 4.39Å; F90-Y207 HydrophobicContact CB-CE1 4.48Å; F90-Y207 HydrophobicContact CB-CE2 4.45Å; F90-Y207 HydrophobicContact CD1-CD2 4.45Å; F90-Y207 AromaticContact CD1-CE2 3.92Å; F90-Y207 HydrophobicContact CD1-CE2 3.92Å; F90-Y207 WeakPolarHBondContact O-CE1 3.13Å; F90-L301 HydrophobicContact CB-CD1 3.71Å; F90-L301 HydrophobicContact CD2-CD1 4.29Å; F90-L301 HydrophobicContact CG-CD1 4.44Å; F90-L304 HydrophobicContact CD2-CB 4.07Å; F90-L304 HydrophobicContact CE2-CB 3.74Å; F90-L304 HydrophobicContact CE2-CD1 4.36Å; F90-M312 HydrophobicContact CE2-CE 4.25Å; F90-M312 HydrophobicContact CZ-CE 3.73Å; F90-M312 HydrophobicContact CZ-SD 4.4Å
91	K	94.6	Very high	95	Very high	85 Å²	85	67.8 Å²	67.8	37%	0.37	35%	0.352	S	S	.	.	S	Bend	trans	-103.7	156.7	163.5	-63.6	-170.7	178.7	154.2	0	110.7	E87 R88 R89 R189	E87-K91 WeakPolarHBondContact O-CD 3.28Å; E87-K91 WeakPolarHBondContact O-CE 3.38Å; E87-K91 PolarHBondContact O-NZ 3.23Å; R88-K91 WeakPolarHBondContact O-CB 3.05Å; R88-K91 PolarHBondContact O-N 2.79Å; R89-K91 PolarHBondContact O-N 2.94Å; K91-R189 PolarHBondContact O-NH1 3.46Å; K91-R189 PolarHBondContact O-NH2 3.44Å
92	Y	96	Very high	95	Very high	55 Å²	55	70 Å²	70	22%	0.216	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-66.8	152.3	173	-69.2	-40	0	0	0	112	R88 P204 G205 Y207 E210 R356	R88-Y92 PolarHBondContact NH2-O 2.69Å; Y92-P204 HydrophobicContact CE1-CG 4.31Å; Y92-P204 HydrophobicContact CE2-CG 3.84Å; Y92-P204 VanDerWaalsContact CZ-CG 3.48Å; Y92-P204 WeakPolarHBondContact OH-CB 3.4Å; Y92-P204 WeakPolarHBondContact OH-CG 3.35Å; Y92-G205 WeakPolarHBondContact CE1-O 3.48Å; Y92-G205 PolarHBondContact OH-O 2.85Å; Y92-Y207 AromaticContact CD1-CD1 3.54Å; Y92-Y207 HydrophobicContact CD1-CD1 3.54Å; Y92-Y207 HydrophobicContact CD1-CE1 4.16Å; Y92-Y207 HydrophobicContact CD1-CG 4.48Å; Y92-Y207 AromaticContact CE1-CD1 3.47Å; Y92-Y207 HydrophobicContact CE1-CD1 3.47Å; Y92-Y207 VanDerWaalsContact CE1-CD1 3.47Å; Y92-Y207 AromaticContact CE1-CE1 3.87Å; Y92-Y207 HydrophobicContact CE1-CE1 3.87Å; Y92-Y207 HydrophobicContact CE1-CG 4.3Å; Y92-E210 HydrophobicContact CD1-CB 3.99Å; Y92-E210 HydrophobicContact CD1-CG 3.5Å; Y92-E210 VanDerWaalsContact CD1-CG 3.5Å; Y92-E210 HydrophobicContact CE1-CB 4.48Å; Y92-E210 HydrophobicContact CE1-CG 3.63Å; Y92-E210 HydrophobicContact CG-CG 4.07Å; Y92-R356 VanDerWaalsContact CZ-CZ 3.44Å; Y92-R356 PolarHBondContact OH-NE 3.01Å; Y92-R356 PolarHBondContact OH-NH1 2.83Å
93	P	97.3	Very high	95	Very high	14 Å²	14	69.5 Å²	69.5	9%	0.091	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-61.2	145.8	177.6	27.9	-36.7	0	0	0	111	S81 L132 E210 V214	S81-P93 WeakPolarHBondContact OG-CA 3.47Å; S81-P93 VanDerWaalsContact OG-CB 3.28Å; S81-P93 WeakPolarHBondContact OG-CB 3.21Å; P93-L132 HydrophobicContact CB-CD1 4.41Å; P93-E210 HydrophobicContact CG-CB 3.82Å; P93-V214 HydrophobicContact CB-CB 4.18Å; P93-V214 HydrophobicContact CB-CG1 4.43Å; P93-V214 HydrophobicContact CB-CG2 3.91Å; P93-V214 HydrophobicContact CG-CB 4.05Å; P93-V214 HydrophobicContact CG-CG2 3.47Å; P93-V214 VanDerWaalsContact CG-CG2 3.47Å
94	E	94.5	Very high	95	Very high	89 Å²	89	70.4 Å²	70.4	42%	0.416	36%	0.364	S	S	.	.			trans	-130.1	148.6	177.3	-70.3	165.9	151.2	0	0	108.3	S81 K82 R88	S81-E94 CarbonylContact C-O 3.49Å; S81-E94 VanDerWaalsContact CA-O 3.27Å; S81-E94 WeakPolarHBondContact CA-O 3.44Å; S81-E94 PolarHBondContact OG-N 3.46Å; S81-E94 PolarHBondContact OG-O 3.46Å; K82-E94 HydrophobicContact CD-CB 4.24Å; K82-E94 PolarHBondContact N-O 2.85Å; R88-E94 IonicContact CZ-OE2 3.25Å; R88-E94 IonicContact NE-OE2 3.56Å; R88-E94 PolarHBondContact NE-OE2 3.35Å; R88-E94 IonicContact NH2-OE2 3.85Å; R88-E94 PolarHBondContact NH2-OE2 3.5Å
95	P	91.8	Very high	95	Very high	99 Å²	99	70.4 Å²	70.4	64%	0.643	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-52.9	136.1	176.8	-25.9	34.7	0	0	0	111.6	K82	K82-P95 VanDerWaalsContact CE-O 3.25Å; K82-P95 WeakPolarHBondContact CE-O 3.31Å; K82-P95 WeakPolarHBondContact CG-O 3.35Å
96	P	91.5	Very high	95	Very high	20 Å²	20	69.9 Å²	69.9	13%	0.13	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-66.9	160.1	176.8	31.7	-35.4	0	0	0	110.7	L57	L57-P96 HydrophobicContact CD1-CG 3.45Å; L57-P96 VanDerWaalsContact CD1-CG 3.45Å; L57-P96 HydrophobicContact CD2-CG 3.99Å; L57-P96 HydrophobicContact CG-CG 4.33Å
97	E	91.9	Very high	95.1	Very high	135 Å²	135	69.9 Å²	69.9	63%	0.631	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-65.4	149.6	170	-62	-61.7	150.8	0	0	110.1	K82	K82-E97 VanDerWaalsContact CE-OE1 3.26Å; K82-E97 WeakPolarHBondContact CE-OE1 3.43Å; K82-E97 IonicContact NZ-OE1 2.78Å; K82-E97 PolarHBondContact NZ-OE1 2.84Å
98	K	95.3	Very high	95.1	Very high	162 Å²	162	65.3 Å²	65.3	70%	0.704	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-65.2	142.3	170.7	-62.2	-166.9	175.9	-174.8	0	109.8	M56 L57	M56-K98 WeakPolarHBondContact O-CE 3.46Å; L57-K98 CarbonylContact O-C 3.52Å; L57-K98 WeakPolarHBondContact O-CA 3.3Å; L57-K98 WeakPolarHBondContact O-CB 3.42Å
99	W	94.9	Very high	95.2	Very high	40 Å²	40	64.8 Å²	64.8	15%	0.152	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-102.5	136.5	173.9	53	80	0	0	0	110.7	T55 L57 G58 E59 V60 I78 P79 Y103	T55-W99 WeakPolarHBondContact OG1-CZ2 3.25Å; L57-W99 HydrophobicContact CB-CD2 4.38Å; L57-W99 HydrophobicContact CB-CE3 3.9Å; L57-W99 HydrophobicContact CB-CH2 3.39Å; L57-W99 HydrophobicContact CB-CZ2 3.88Å; L57-W99 HydrophobicContact CB-CZ3 3.4Å; L57-W99 HydrophobicContact CD1-CH2 3.84Å; L57-W99 HydrophobicContact CD1-CZ3 3.78Å; L57-W99 HydrophobicContact CG-CH2 4.28Å; L57-W99 HydrophobicContact CG-CZ3 4.2Å; L57-W99 PolarHBondContact O-N 3.5Å; G58-W99 VanDerWaalsContact CA-NE1 3.32Å; E59-W99 PolarHBondContact O-NE1 3.48Å; V60-W99 HydrophobicContact CG1-CH2 4.45Å; V60-W99 HydrophobicContact CG1-CZ2 3.58Å; I78-W99 HydrophobicContact CG2-CH2 4.24Å; P79-W99 HydrophobicContact CG-CE3 4.46Å; P79-W99 HydrophobicContact CG-CH2 4.29Å; P79-W99 HydrophobicContact CG-CZ3 3.77Å; W99-Y103 HydrophobicContact CD2-CD2 4.45Å
100	A	91.7	Very high	95.2	Very high	106 Å²	106	65.1 Å²	65.1	88%	0.876	33%	0.333	S	S	*	.	S	Bend	trans	-80.1	-40.3	-179.1	0	0	0	0	0	112.6
101	N	94.3	Very high	95.1	Very high	138 Å²	138	65.1 Å²	65.1	74%	0.738	33%	0.333	S	S	*	.	S	Bend	trans	-91.6	155.7	179.9	-62.8	-35.4	0	0	0	110.8	Y103	N101-Y103 PolarHBondContact O-N 2.8Å; N101-Y103 VanDerWaalsContact O-N 3.11Å
102	V	95.9	Very high	95.2	Very high	50 Å²	50	61.1 Å²	61.1	30%	0.303	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-56.1	117.8	175.9	-173.1	0	0	0	0	110.4	E59 I61	E59-V102 HydrophobicContact CB-CB 4.36Å; E59-V102 HydrophobicContact CB-CG1 4.17Å; E59-V102 HydrophobicContact CB-CG2 4.04Å; I61-V102 HydrophobicContact CB-CG1 3.71Å; I61-V102 HydrophobicContact CG2-CG1 3.95Å
103	Y	97.3	Very high	95.2	Very high	46 Å²	46	59.1 Å²	59.1	18%	0.18	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.7	-177.9	-176.5	-87.5	0	0	0	111	E59 V60 I61 G77 P79 W99 N101 A105 R109 Y133	E59-Y103 PolarHBondContact O-N 3.36Å; V60-Y103 WeakPolarHBondContact CA-O 3.5Å; I61-Y103 WeakPolarHBondContact CG2-O 3.43Å; I61-Y103 PolarHBondContact N-O 2.89Å; G77-Y103 WeakPolarHBondContact O-CE1 3.25Å; P79-Y103 HydrophobicContact CG-CE1 4.41Å; P79-Y103 HydrophobicContact CG-CE2 4.09Å; W99-Y103 HydrophobicContact CD2-CD2 4.45Å; N101-Y103 PolarHBondContact O-N 2.8Å; N101-Y103 VanDerWaalsContact O-N 3.11Å; Y103-A105 HydrophobicContact CD1-CB 4.25Å; Y103-A105 HydrophobicContact CE1-CB 4.5Å; Y103-A105 PolarHBondContact O-N 2.93Å; Y103-A105 VanDerWaalsContact O-N 3.11Å; Y103-R109 VanDerWaalsContact CE1-NH2 3.32Å; Y103-R109 VanDerWaalsContact CZ-NH2 3.28Å; Y103-R109 PolarHBondContact OH-NE 3.24Å; Y103-R109 VanDerWaalsContact OH-NE 3.16Å; Y103-R109 PolarHBondContact OH-NH2 3.25Å; Y103-Y133 WeakPolarHBondContact OH-CE1 3.29Å
104	N	97.6	Very high	95	Very high	71 Å²	71	58.7 Å²	58.7	38%	0.38	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	96.1	-178.3	-175.6	-1.7	0	0	0	112.4	I61 T106 R109	I61-N104 HydrophobicContact CG2-CB 4.37Å; N104-T106 WeakPolarHBondContact OD1-CB 3.42Å; N104-T106 VanDerWaalsContact OD1-CG2 3.3Å; N104-T106 WeakPolarHBondContact OD1-CG2 3.36Å; N104-T106 PolarHBondContact OD1-N 3.25Å; N104-T106 PolarHBondContact OD1-OG1 2.84Å; N104-R109 PolarHBondContact O-NH2 3.25Å
105	A	97.8	Very high	94.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.286	C	S	.	.			trans	-105.3	42.1	175.8	0	0	0	0	0	112	V60 I61 Y75 L76 I78 Y103	V60-A105 HydrophobicContact CB-CB 4.43Å; I61-A105 CarbonylContact O-C 3.58Å; I61-A105 VanDerWaalsContact O-C 3.22Å; I61-A105 VanDerWaalsContact O-CA 3.27Å; I61-A105 WeakPolarHBondContact O-CA 3.42Å; I61-A105 WeakPolarHBondContact O-CB 3.13Å; I61-A105 PolarHBondContact O-N 2.96Å; Y75-A105 CarbonylContact C-O 3.48Å; Y75-A105 WeakPolarHBondContact CA-O 3.38Å; L76-A105 PolarHBondContact N-O 3.31Å; L76-A105 CarbonylContact O-C 3.42Å; L76-A105 VanDerWaalsContact O-C 3.27Å; L76-A105 VanDerWaalsContact O-CA 3.27Å; L76-A105 WeakPolarHBondContact O-CA 3.39Å; I78-A105 HydrophobicContact CG1-CB 3.9Å; Y103-A105 HydrophobicContact CD1-CB 4.25Å; Y103-A105 HydrophobicContact CE1-CB 4.5Å; Y103-A105 PolarHBondContact O-N 2.93Å; Y103-A105 VanDerWaalsContact O-N 3.11Å
106	T	97.3	Very high	94.3	Very high	30 Å²	30	52.8 Å²	52.8	18%	0.184	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-94.9	-5.1	-177.3	60.6	0	0	0	0	114.1	Y50 I61 F63 N104	Y50-T106 HydrophobicContact CD1-CG2 3.8Å; Y50-T106 HydrophobicContact CE1-CG2 3.67Å; I61-T106 HydrophobicContact CG2-CG2 4.41Å; F63-T106 VanDerWaalsContact CE1-O 3.29Å; F63-T106 WeakPolarHBondContact CE1-O 3.5Å; N104-T106 WeakPolarHBondContact OD1-CB 3.42Å; N104-T106 VanDerWaalsContact OD1-CG2 3.3Å; N104-T106 WeakPolarHBondContact OD1-CG2 3.36Å; N104-T106 PolarHBondContact OD1-N 3.25Å; N104-T106 PolarHBondContact OD1-OG1 2.84Å
107	Y	96.2	Very high	93.5	Very high	122 Å²	122	54.4 Å²	54.4	48%	0.478	27%	0.27	S	S	.	.	S	Bend	trans	-146.5	148.2	-176.5	63.3	-85.6	0	0	0	112.1	L76 R109	L76-Y107 CarbonylContact C-O 3.53Å; L76-Y107 VanDerWaalsContact CB-C 3.44Å; Y107-R109 PolarHBondContact O-NH1 2.87Å; Y107-R109 VanDerWaalsContact O-NH1 3.08Å; Y107-R109 PolarHBondContact OH-NH1 3.08Å
108	F	95.7	Very high	92.3	Very high	51 Å²	51	52.3 Å²	52.3	22%	0.224	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-58.2	140.9	178.2	-69.9	-72	0	0	0	112.3	L76 N135 R165 I169	L76-F108 HydrophobicContact CB-CD1 4.26Å; L76-F108 HydrophobicContact CB-CG 4.47Å; L76-F108 HydrophobicContact CD1-CD1 4.45Å; L76-F108 HydrophobicContact CD1-CD2 3.99Å; L76-F108 HydrophobicContact CD1-CE1 4.37Å; L76-F108 HydrophobicContact CD1-CE2 3.88Å; L76-F108 HydrophobicContact CD1-CG 4.28Å; L76-F108 HydrophobicContact CD1-CZ 4.09Å; L76-F108 HydrophobicContact CD2-CD1 4.32Å; L76-F108 HydrophobicContact CD2-CE1 3.8Å; L76-F108 HydrophobicContact CD2-CZ 3.95Å; L76-F108 HydrophobicContact CG-CE1 4.47Å; F108-N135 WeakPolarHBondContact CD1-OD1 3.42Å; F108-R165 HydrophobicContact CB-CB 4.18Å; F108-R165 HydrophobicContact CD1-CB 3.52Å; F108-R165 HydrophobicContact CD2-CB 4.44Å; F108-R165 HydrophobicContact CE1-CB 3.92Å; F108-R165 HydrophobicContact CG-CB 3.81Å; F108-I169 HydrophobicContact CE2-CD1 3.94Å; F108-I169 HydrophobicContact CE2-CG1 4.22Å; F108-I169 HydrophobicContact CZ-CD1 4.01Å; F108-I169 HydrophobicContact CZ-CG1 3.9Å
109	R	96.3	Very high	90.5	Very high	23 Å²	23	49.8 Å²	49.8	9%	0.087	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-86.2	166.8	175	-70.4	-72.6	-173.8	-81.1	4.1	111.9	G77 Y103 N104 Y107 Y133	G77-R109 VanDerWaalsContact CA-CG 3.47Å; Y103-R109 VanDerWaalsContact CE1-NH2 3.32Å; Y103-R109 VanDerWaalsContact CZ-NH2 3.28Å; Y103-R109 PolarHBondContact OH-NE 3.24Å; Y103-R109 VanDerWaalsContact OH-NE 3.16Å; Y103-R109 PolarHBondContact OH-NH2 3.25Å; N104-R109 PolarHBondContact O-NH2 3.25Å; Y107-R109 PolarHBondContact O-NH1 2.87Å; Y107-R109 VanDerWaalsContact O-NH1 3.08Å; Y107-R109 PolarHBondContact OH-NH1 3.08Å; R109-Y133 HydrophobicContact CB-CD1 4.22Å; R109-Y133 HydrophobicContact CB-CD2 3.61Å; R109-Y133 HydrophobicContact CB-CE2 4.21Å; R109-Y133 HydrophobicContact CB-CG 3.64Å; R109-Y133 HydrophobicContact CG-CD1 3.69Å; R109-Y133 HydrophobicContact CG-CD2 3.95Å; R109-Y133 HydrophobicContact CG-CE1 4.04Å; R109-Y133 HydrophobicContact CG-CE2 4.32Å; R109-Y133 HydrophobicContact CG-CG 3.64Å
110	P	95.8	Very high	88.8	Confident	24 Å²	24	50 Å²	50	16%	0.156	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-53.5	151.6	177.9	-28	36.4	0	0	0	113.1	M126 N187	P110-M126 CarbonylContact C-O 3.49Å; P110-M126 VanDerWaalsContact CA-O 3.27Å; P110-M126 WeakPolarHBondContact CA-O 3.3Å; P110-M126 HydrophobicContact CB-CG 4.24Å; P110-M126 WeakPolarHBondContact CB-O 3.3Å; P110-M126 HydrophobicContact CG-CG 4.07Å; P110-M126 HydrophobicContact CG-SD 4.06Å; P110-N187 PolarHBondContact O-ND2 3Å; P110-N187 VanDerWaalsContact O-ND2 3.14Å
111	W	94	Very high	87.3	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	153	166.8	-59.3	81.8	0	0	0	109.3	M126 Q127 S128 G162 G163 R165 L166	W111-M126 PolarHBondContact N-O 3.48Å; W111-Q127 HydrophobicContact CB-CG 4.19Å; W111-Q127 CarbonylContact O-C 3.54Å; W111-Q127 WeakPolarHBondContact O-CA 3.34Å; W111-S128 PolarHBondContact O-N 2.78Å; W111-G162 VanDerWaalsContact CZ3-C 3.47Å; W111-G163 VanDerWaalsContact CZ3-CA 3.5Å; W111-G163 VanDerWaalsContact CZ3-N 3.26Å; W111-R165 HydrophobicContact CD2-CG 3.94Å; W111-R165 HydrophobicContact CE3-CG 4.37Å; W111-R165 HydrophobicContact CH2-CG 3.63Å; W111-R165 HydrophobicContact CZ2-CG 3.18Å; W111-R165 HydrophobicContact CZ3-CG 4.24Å; W111-L166 HydrophobicContact CH2-CB 4.48Å; W111-L166 HydrophobicContact CH2-CD2 3.42Å; W111-L166 VanDerWaalsContact CH2-CD2 3.42Å; W111-L166 HydrophobicContact CH2-CG 3.61Å; W111-L166 HydrophobicContact CZ3-CD1 4.42Å; W111-L166 HydrophobicContact CZ3-CD2 3.69Å; W111-L166 HydrophobicContact CZ3-CG 3.66Å
112	C	96.6	Very high	85.7	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	157.5	161.2	-66.2	0	0	0	0	110.3	Q114 S128 C131 Y188 L190	C112-Q114 WeakPolarHBondContact O-CG 3.22Å; C112-Q114 PolarHBondContact O-N 2.86Å; C112-Q114 PolarHBondContact O-NE2 3.21Å; C112-S128 WeakPolarHBondContact CA-O 3.3Å; C112-C131 VanDerWaalsContact CA-CB 3.41Å; C112-C131 WeakPolarHBondContact CA-SG 2.76Å; C112-C131 HydrophobicContact CB-CB 3.79Å; C112-C131 WeakPolarHBondContact CB-SG 3.42Å; C112-C131 WeakPolarHBondContact SG-CB 3.35Å; C112-C131 CovalentContact SG-SG 2.03Å; C112-C131 PolarHBondContact SG-SG 3.49Å; C112-Y188 VanDerWaalsContact SG-C 3.58Å; C112-Y188 PolarHBondContact SG-O 3.34Å; C112-L190 HydrophobicContact CB-CD1 4.35Å
113	I	95.5	Very high	84	Confident	12 Å²	12	47.9 Å²	47.9	6%	0.062	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-53	126.6	174.9	-57.1	-49.2	0	0	0	110.1	F115 Q127 S128 E129 I193 V309	I113-F115 HydrophobicContact CB-CE2 4.21Å; I113-F115 HydrophobicContact CG2-CD2 4.44Å; I113-F115 HydrophobicContact CG2-CE1 4.39Å; I113-F115 HydrophobicContact CG2-CE2 3.68Å; I113-F115 HydrophobicContact CG2-CZ 3.64Å; I113-Q127 HydrophobicContact CD1-CB 4.04Å; I113-S128 PolarHBondContact N-O 3.03Å; I113-E129 HydrophobicContact CD1-CG 4.23Å; I113-E129 HydrophobicContact CG1-CG 3.64Å; I113-I193 HydrophobicContact CB-CD1 3.83Å; I113-I193 HydrophobicContact CG1-CD1 3.87Å; I113-I193 HydrophobicContact CG2-CD1 3.99Å; I113-V309 HydrophobicContact CD1-CG1 3.88Å; I113-V309 HydrophobicContact CD1-CG2 4.36Å; I113-V309 HydrophobicContact CG1-CG1 4.07Å; I113-V309 HydrophobicContact CG1-CG2 4.32Å; I113-V309 HydrophobicContact CG2-CG1 3.68Å
114	Q	92.7	Very high	82.4	Confident	6 Å²	6	53 Å²	53	3%	0.028	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-100.3	139.9	-176.2	-54	-71.5	-69.1	0	0	109.9	C112 L122 Q127 V161 G162 L190 K313	C112-Q114 WeakPolarHBondContact O-CG 3.22Å; C112-Q114 PolarHBondContact O-N 2.86Å; C112-Q114 PolarHBondContact O-NE2 3.21Å; Q114-L122 HydrophobicContact CB-CD1 4.41Å; Q114-Q127 HydrophobicContact CG-CG 4.11Å; Q114-V161 HydrophobicContact CB-CG1 4.24Å; Q114-V161 VanDerWaalsContact OE1-CB 3.29Å; Q114-G162 PolarHBondContact NE2-O 3.27Å; Q114-G162 PolarHBondContact OE1-O 3.24Å; Q114-L190 VanDerWaalsContact NE2-CD1 3.26Å; Q114-K313 WeakPolarHBondContact O-CE 3.46Å
115	F	89.7	Confident	81.4	Confident	2 Å²	2	52 Å²	52	1%	0.009	24%	0.238	C	C	.	.			trans	-122.3	109.7	176.8	-61.7	-91.8	0	0	0	108.9	I113 Q160 V161 L190 P192 I193 M312 K313 W316	I113-F115 HydrophobicContact CB-CE2 4.21Å; I113-F115 HydrophobicContact CG2-CD2 4.44Å; I113-F115 HydrophobicContact CG2-CE1 4.39Å; I113-F115 HydrophobicContact CG2-CE2 3.68Å; I113-F115 HydrophobicContact CG2-CZ 3.64Å; F115-Q160 HydrophobicContact CB-CB 4.22Å; F115-Q160 PolarHBondContact N-O 3.45Å; F115-Q160 WeakPolarHBondContact O-CB 3.2Å; F115-V161 WeakPolarHBondContact O-CG1 3.46Å; F115-L190 WeakPolarHBondContact CE2-O 3.48Å; F115-P192 HydrophobicContact CD1-CG 4.03Å; F115-P192 HydrophobicContact CE1-CG 3.51Å; F115-P192 HydrophobicContact CE2-CG 4.12Å; F115-P192 HydrophobicContact CZ-CG 3.57Å; F115-I193 HydrophobicContact CE2-CD1 4.19Å; F115-I193 HydrophobicContact CE2-CG1 4.31Å; F115-I193 HydrophobicContact CZ-CD1 3.83Å; F115-I193 HydrophobicContact CZ-CG1 3.98Å; F115-M312 HydrophobicContact CE1-CB 4.49Å; F115-M312 HydrophobicContact CE1-CG 4.04Å; F115-M312 HydrophobicContact CZ-CG 4.34Å; F115-M312 HydrophobicContact CZ-SD 4.28Å; F115-K313 HydrophobicContact CD1-CG 4.22Å; F115-K313 HydrophobicContact CE1-CG 4.03Å; F115-W316 HydrophobicContact CB-CD2 3.86Å; F115-W316 HydrophobicContact CB-CE3 4.44Å; F115-W316 HydrophobicContact CB-CG 4.06Å; F115-W316 HydrophobicContact CB-CZ2 4.18Å; F115-W316 HydrophobicContact CD1-CB 3.9Å; F115-W316 AromaticContact CD1-CD1 3.9Å; F115-W316 HydrophobicContact CD1-CD2 4.4Å; F115-W316 AromaticContact CD1-CG 3.81Å; F115-W316 HydrophobicContact CD1-CG 3.81Å; F115-W316 HydrophobicContact CG-CG 4.32Å
116	W	83.3	Confident	80.8	Confident	62 Å²	62	58.3 Å²	58.3	24%	0.235	27%	0.269	C	S	.	.			trans	-147.9	149.2	-177.2	-154.2	-120.8	0	0	0	111.5	F118 L122 Q160 V161 H345	W116-F118 VanDerWaalsContact CD1-O 3.25Å; W116-F118 AromaticContact NE1-CD2 3.9Å; W116-L122 HydrophobicContact CB-CD1 3.37Å; W116-L122 HydrophobicContact CG-CD1 3.9Å; W116-Q160 HydrophobicContact CE3-CB 4.36Å; W116-V161 HydrophobicContact CB-CG1 3.74Å; W116-V161 HydrophobicContact CD2-CG1 3.86Å; W116-V161 HydrophobicContact CD2-CG2 4.33Å; W116-V161 HydrophobicContact CE3-CB 4.33Å; W116-V161 HydrophobicContact CE3-CG1 3.53Å; W116-V161 HydrophobicContact CE3-CG2 3.8Å; W116-V161 HydrophobicContact CG-CG1 3.97Å; W116-V161 HydrophobicContact CH2-CG2 4.38Å; W116-V161 HydrophobicContact CZ3-CG1 4.36Å; W116-V161 HydrophobicContact CZ3-CG2 3.82Å; W116-H345 HydrophobicContact CH2-CB 4.03Å; W116-H345 HydrophobicContact CZ3-CB 3.94Å
117	Y	73.8	Confident	80.6	Confident	53 Å²	53	58.6 Å²	58.6	21%	0.208	27%	0.268	C	S	.	.	S	Bend	trans	-76	-45.6	-178.5	-173.6	-100.5	0	0	0	111.8	A320 D321 L324	Y117-A320 HydrophobicContact CD2-CB 4Å; Y117-D321 WeakPolarHBondContact CE2-OD1 3.4Å; Y117-D321 VanDerWaalsContact CZ-OD1 3.26Å; Y117-D321 PolarHBondContact OH-OD1 3.48Å; Y117-L324 HydrophobicContact CD1-CD1 4.03Å; Y117-L324 HydrophobicContact CD2-CD1 3.88Å; Y117-L324 HydrophobicContact CE1-CD1 3.62Å; Y117-L324 HydrophobicContact CE2-CD1 3.46Å; Y117-L324 VanDerWaalsContact CE2-CD1 3.46Å; Y117-L324 HydrophobicContact CG-CD1 4.15Å
118	F	66.3	Low	80.6	Confident	92 Å²	92	54.6 Å²	54.6	40%	0.404	26%	0.258	S	S	.	.	S	Bend	trans	-83.9	131.1	-178.3	-60.2	-70.8	0	0	0	110.2	W116 I120	W116-F118 VanDerWaalsContact CD1-O 3.25Å; W116-F118 AromaticContact NE1-CD2 3.9Å; F118-I120 HydrophobicContact CB-CG2 3.89Å; F118-I120 PolarHBondContact O-N 3.01Å
119	D	57.6	Low	80.7	Confident	108 Å²	108	53.4 Å²	53.4	58%	0.578	25%	0.253	S	S	*	.			trans	-75.5	84.6	169.9	-167.3	0.4	0	0	0	109.1	H121	D119-H121 PolarHBondContact O-N 2.89Å; D119-H121 PolarHBondContact OD1-N 3.29Å
120	I	58.8	Low	80.8	Confident	45 Å²	45	54.4 Å²	54.4	23%	0.231	26%	0.26	C	S	.	.	S	Bend	trans	-93.3	38.5	176.7	57.9	-178.9	0	0	0	110.5	F118 L122 P518	F118-I120 HydrophobicContact CB-CG2 3.89Å; F118-I120 PolarHBondContact O-N 3.01Å; I120-L122 HydrophobicContact CD1-CD1 4.13Å; I120-L122 HydrophobicContact CD1-CD2 4.3Å; I120-L122 HydrophobicContact CD1-CG 4.2Å; I120-L122 HydrophobicContact CG1-CD1 3.81Å; I120-L122 HydrophobicContact CG1-CD2 4.03Å; I120-L122 HydrophobicContact CG1-CG 3.55Å; I120-L122 PolarHBondContact O-N 3.07Å; I120-P518 HydrophobicContact CB-CG 3.8Å; I120-P518 HydrophobicContact CD1-CG 3.56Å; I120-P518 HydrophobicContact CG1-CG 3.59Å; I120-P518 VanDerWaalsContact O-CG 3.25Å; I120-P518 WeakPolarHBondContact O-CG 3.23Å
121	H	61.7	Low	80.9	Confident	95 Å²	95	53.3 Å²	53.3	44%	0.44	25%	0.253	S	S	.	.	S	Bend	trans	58.7	29.2	-173.3	-52.7	-77.6	0	0	0	112.8	D119 E123 E124	D119-H121 PolarHBondContact O-N 2.89Å; D119-H121 PolarHBondContact OD1-N 3.29Å; H121-E123 VanDerWaalsContact C-N 3.27Å; H121-E124 HydrophobicContact CB-CB 4.42Å; H121-E124 HydrophobicContact CB-CG 4.27Å; H121-E124 IonicContact CE1-OE1 3.23Å; H121-E124 IonicContact CG-OE1 3.19Å; H121-E124 IonicContact CG-OE2 2.84Å; H121-E124 IonicContact ND1-OE1 2.72Å; H121-E124 PolarHBondContact ND1-OE1 3.39Å; H121-E124 IonicContact ND1-OE2 3.09Å; H121-E124 PolarHBondContact O-N 3.3Å
122	L	60.7	Low	81.1	Confident	12 Å²	12	53 Å²	53	6%	0.063	25%	0.252	C	S	.	.			trans	-67.3	-35.4	174.7	-66.3	173.2	0	0	0	110.4	Q114 W116 I120 E124 R125 Q127 V161 P518	Q114-L122 HydrophobicContact CB-CD1 4.41Å; W116-L122 HydrophobicContact CB-CD1 3.37Å; W116-L122 HydrophobicContact CG-CD1 3.9Å; I120-L122 HydrophobicContact CD1-CD1 4.13Å; I120-L122 HydrophobicContact CD1-CD2 4.3Å; I120-L122 HydrophobicContact CD1-CG 4.2Å; I120-L122 HydrophobicContact CG1-CD1 3.81Å; I120-L122 HydrophobicContact CG1-CD2 4.03Å; I120-L122 HydrophobicContact CG1-CG 3.55Å; I120-L122 PolarHBondContact O-N 3.07Å; L122-E124 PolarHBondContact O-N 2.72Å; L122-R125 VanDerWaalsContact O-CB 3.27Å; L122-R125 WeakPolarHBondContact O-CB 3.37Å; L122-R125 PolarHBondContact O-N 3.33Å; L122-Q127 PolarHBondContact O-NE2 2.95Å; L122-V161 HydrophobicContact CD1-CG1 3.99Å; L122-P518 HydrophobicContact CD2-CB 4.48Å; L122-P518 HydrophobicContact CD2-CG 4.42Å
123	E	59.4	Low	81.2	Confident	143 Å²	143	54.1 Å²	54.1	67%	0.668	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.2	179.5	-62.5	-169.8	176.1	0	0	112.4	H121 R125	H121-E123 VanDerWaalsContact C-N 3.27Å; E123-R125 PolarHBondContact O-N 3.41Å
124	E	64.7	Low	81.3	Confident	152 Å²	152	53.5 Å²	53.5	71%	0.71	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-13.1	174.6	-61.9	176.5	-166.9	0	0	112.8	H121 L122	H121-E124 HydrophobicContact CB-CB 4.42Å; H121-E124 HydrophobicContact CB-CG 4.27Å; H121-E124 IonicContact CE1-OE1 3.23Å; H121-E124 IonicContact CG-OE1 3.19Å; H121-E124 IonicContact CG-OE2 2.84Å; H121-E124 IonicContact ND1-OE1 2.72Å; H121-E124 PolarHBondContact ND1-OE1 3.39Å; H121-E124 IonicContact ND1-OE2 3.09Å; H121-E124 PolarHBondContact O-N 3.3Å; L122-E124 PolarHBondContact O-N 2.72Å
125	R	75.2	Confident	81.6	Confident	50 Å²	50	53.5 Å²	53.5	19%	0.189	25%	0.253	C	S	.	.	S	Bend	trans	-81.6	139.4	178.6	-61.9	178.7	163.8	-159.1	-16	110.7	L122 E123 Q127	L122-R125 VanDerWaalsContact O-CB 3.27Å; L122-R125 WeakPolarHBondContact O-CB 3.37Å; L122-R125 PolarHBondContact O-N 3.33Å; E123-R125 PolarHBondContact O-N 3.41Å; R125-Q127 PolarHBondContact O-N 3.08Å
126	M	86.4	Confident	82	Confident	133 Å²	133	53.4 Å²	53.4	66%	0.655	25%	0.253	S	S	*	.			trans	-64.1	97.9	170	-169.7	-176	-68.1	0	0	110.3	P110 W111	P110-M126 CarbonylContact C-O 3.49Å; P110-M126 VanDerWaalsContact CA-O 3.27Å; P110-M126 WeakPolarHBondContact CA-O 3.3Å; P110-M126 HydrophobicContact CB-CG 4.24Å; P110-M126 WeakPolarHBondContact CB-O 3.3Å; P110-M126 HydrophobicContact CG-CG 4.07Å; P110-M126 HydrophobicContact CG-SD 4.06Å; W111-M126 PolarHBondContact N-O 3.48Å
127	Q	92.7	Very high	82.7	Confident	37 Å²	37	50.7 Å²	50.7	17%	0.173	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	148.7	177.4	-64.2	174.7	42	0	0	110.2	W111 I113 Q114 L122 R125	W111-Q127 HydrophobicContact CB-CG 4.19Å; W111-Q127 CarbonylContact O-C 3.54Å; W111-Q127 WeakPolarHBondContact O-CA 3.34Å; I113-Q127 HydrophobicContact CD1-CB 4.04Å; Q114-Q127 HydrophobicContact CG-CG 4.11Å; L122-Q127 PolarHBondContact O-NE2 2.95Å; R125-Q127 PolarHBondContact O-N 3.08Å
128	S	96.2	Very high	83.8	Confident	38 Å²	38	48.1 Å²	48.1	27%	0.266	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.6	173.8	-174.5	0	0	0	0	110.1	W111 C112 I113 D130 C131	W111-S128 PolarHBondContact O-N 2.78Å; C112-S128 WeakPolarHBondContact CA-O 3.3Å; I113-S128 PolarHBondContact N-O 3.03Å; S128-D130 WeakPolarHBondContact CB-O 3.47Å; S128-D130 PolarHBondContact OG-N 2.66Å; S128-D130 PolarHBondContact OG-O 3.32Å; S128-C131 WeakPolarHBondContact O-CB 3.28Å
129	E	97.6	Very high	85.2	Confident	25 Å²	25	44.1 Å²	44.1	12%	0.117	22%	0.216	C	C	.	.	S	Bend	trans	-75.9	-29	162.7	-72.9	-176.6	-93.2	0	0	111.6	P84 V85 R89 I113 C131 I193 V309	P84-E129 VanDerWaalsContact CD-O 3.26Å; P84-E129 WeakPolarHBondContact CD-O 3.44Å; P84-E129 WeakPolarHBondContact CG-O 3.44Å; V85-E129 HydrophobicContact CG1-CB 3.74Å; R89-E129 IonicContact CZ-OE1 2.67Å; R89-E129 IonicContact CZ-OE2 3.95Å; R89-E129 IonicContact NE-OE1 2.75Å; R89-E129 IonicContact NE-OE2 2.73Å; R89-E129 PolarHBondContact NE-OE2 2.68Å; R89-E129 VanDerWaalsContact NH2-CD 3.33Å; R89-E129 IonicContact NH2-OE1 3.27Å; R89-E129 PolarHBondContact NH2-OE1 3.31Å; R89-E129 IonicContact NH2-OE2 3.1Å; R89-E129 PolarHBondContact NH2-OE2 2.96Å; I113-E129 HydrophobicContact CD1-CG 4.23Å; I113-E129 HydrophobicContact CG1-CG 3.64Å; E129-C131 PolarHBondContact O-N 3Å; E129-I193 HydrophobicContact CG-CD1 4.27Å; E129-V309 HydrophobicContact CG-CG2 4.06Å; E129-V309 WeakPolarHBondContact OE1-CG2 3.45Å
130	D	97.6	Very high	86.7	Confident	45 Å²	45	42.1 Å²	42.1	24%	0.241	20%	0.203	C	C	.	.			trans	-74.6	81.5	163.6	-177.8	24.8	0	0	0	109.4	P83 V85 S128 Y133	P83-D130 HydrophobicContact CB-CB 3.99Å; P83-D130 WeakPolarHBondContact CB-OD1 3.1Å; P83-D130 WeakPolarHBondContact CG-OD1 3.43Å; V85-D130 HydrophobicContact CG1-CB 4.2Å; S128-D130 WeakPolarHBondContact CB-O 3.47Å; S128-D130 PolarHBondContact OG-N 2.66Å; S128-D130 PolarHBondContact OG-O 3.32Å; D130-Y133 WeakPolarHBondContact O-CE2 3.49Å; D130-Y133 WeakPolarHBondContact OD1-CE2 3.34Å; D130-Y133 PolarHBondContact OD1-OH 3.3Å; D130-Y133 PolarHBondContact OD2-OH 2.87Å
131	C	97.8	Very high	87.4	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	21%	0.211	C	C	.	.			trans	-131.6	1.5	-173.1	67.7	0	0	0	0	114.5	C112 S128 E129 Y133 N187	C112-C131 VanDerWaalsContact CA-CB 3.41Å; C112-C131 WeakPolarHBondContact CA-SG 2.76Å; C112-C131 HydrophobicContact CB-CB 3.79Å; C112-C131 WeakPolarHBondContact CB-SG 3.42Å; C112-C131 WeakPolarHBondContact SG-CB 3.35Å; C112-C131 CovalentContact SG-SG 2.03Å; C112-C131 PolarHBondContact SG-SG 3.49Å; S128-C131 WeakPolarHBondContact O-CB 3.28Å; E129-C131 PolarHBondContact O-N 3Å; C131-Y133 VanDerWaalsContact C-CD2 3.41Å; C131-Y133 PolarHBondContact O-N 3.4Å; C131-N187 WeakPolarHBondContact O-CB 3.38Å; C131-N187 PolarHBondContact O-ND2 3.44Å
132	L	98.5	Very high	87.5	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.225	C	C	.	.			trans	-79.2	66.7	-173.8	-60.7	-174	0	0	0	112.5	F80 S81 P84 P93 R189 D211	F80-L132 WeakPolarHBondContact CD1-O 3.45Å; F80-L132 HydrophobicContact CE1-CB 4.33Å; F80-L132 HydrophobicContact CE2-CB 3.93Å; F80-L132 HydrophobicContact CE2-CD2 4.4Å; F80-L132 HydrophobicContact CZ-CB 3.8Å; F80-L132 HydrophobicContact CZ-CD2 4.07Å; F80-L132 HydrophobicContact CZ-CG 4.48Å; F80-L132 PolarHBondContact N-O 2.92Å; F80-L132 VanDerWaalsContact N-O 3.14Å; S81-L132 WeakPolarHBondContact OG-CD1 3.43Å; P84-L132 HydrophobicContact CB-CD1 4.38Å; P84-L132 HydrophobicContact CG-CD1 3.87Å; P84-L132 HydrophobicContact CG-CG 4.05Å; P93-L132 HydrophobicContact CB-CD1 4.41Å; L132-R189 HydrophobicContact CD2-CG 4.31Å; L132-D211 HydrophobicContact CD2-CB 3.98Å; L132-D211 WeakPolarHBondContact CD2-OD2 3.37Å
133	Y	98.5	Very high	87.6	Confident	24 Å²	24	48 Å²	48	9%	0.094	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151	-177.6	-61.3	-85.9	0	0	0	111.2	G77 I78 P79 F80 Y103 R109 D130 C131 N187	G77-Y133 VanDerWaalsContact O-CD1 3.22Å; G77-Y133 WeakPolarHBondContact O-CD1 3.2Å; I78-Y133 WeakPolarHBondContact O-CA 3.25Å; P79-Y133 HydrophobicContact CB-CD1 3.87Å; P79-Y133 HydrophobicContact CB-CE1 3.66Å; P79-Y133 HydrophobicContact CG-CE1 4.23Å; F80-Y133 WeakPolarHBondContact CE1-O 2.96Å; Y103-Y133 WeakPolarHBondContact OH-CE1 3.29Å; R109-Y133 HydrophobicContact CB-CD1 4.22Å; R109-Y133 HydrophobicContact CB-CD2 3.61Å; R109-Y133 HydrophobicContact CB-CE2 4.21Å; R109-Y133 HydrophobicContact CB-CG 3.64Å; R109-Y133 HydrophobicContact CG-CD1 3.69Å; R109-Y133 HydrophobicContact CG-CD2 3.95Å; R109-Y133 HydrophobicContact CG-CE1 4.04Å; R109-Y133 HydrophobicContact CG-CE2 4.32Å; R109-Y133 HydrophobicContact CG-CG 3.64Å; D130-Y133 WeakPolarHBondContact O-CE2 3.49Å; D130-Y133 WeakPolarHBondContact OD1-CE2 3.34Å; D130-Y133 PolarHBondContact OD1-OH 3.3Å; D130-Y133 PolarHBondContact OD2-OH 2.87Å; C131-Y133 VanDerWaalsContact C-CD2 3.41Å; C131-Y133 PolarHBondContact O-N 3.4Å; Y133-N187 PolarHBondContact O-N 3.48Å; Y133-N187 VanDerWaalsContact O-N 3.12Å
134	L	98.8	Very high	88.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	160.6	172.6	60.4	79.6	0	0	0	111.3	G77 I78 F80 V136 V184 S185 I186 W218	G77-L134 CarbonylContact C-O 3.55Å; G77-L134 WeakPolarHBondContact CA-O 3.25Å; G77-L134 PolarHBondContact N-O 3.19Å; G77-L134 VanDerWaalsContact N-O 3.12Å; I78-L134 HydrophobicContact CB-CD1 4.1Å; I78-L134 HydrophobicContact CD1-CD1 4.39Å; I78-L134 PolarHBondContact N-O 3.02Å; I78-L134 PolarHBondContact O-N 3.43Å; F80-L134 HydrophobicContact CB-CD2 3.91Å; F80-L134 HydrophobicContact CD1-CB 3.97Å; F80-L134 HydrophobicContact CD1-CD2 3.81Å; F80-L134 HydrophobicContact CD1-CG 3.96Å; F80-L134 HydrophobicContact CE1-CB 4.4Å; F80-L134 HydrophobicContact CG-CD2 4.19Å; L134-V136 HydrophobicContact CD1-CG2 3.51Å; L134-V184 HydrophobicContact CB-CG1 4.46Å; L134-V184 HydrophobicContact CD1-CG1 4.42Å; L134-S185 CarbonylContact C-O 3.47Å; L134-S185 VanDerWaalsContact CA-O 3.23Å; L134-S185 WeakPolarHBondContact CA-O 3.41Å; L134-S185 WeakPolarHBondContact CB-O 3.35Å; L134-I186 HydrophobicContact CB-CB 4.41Å; L134-I186 HydrophobicContact CB-CG2 3.86Å; L134-I186 HydrophobicContact CD2-CG2 4.47Å; L134-W218 HydrophobicContact CD1-CE3 4.03Å; L134-W218 HydrophobicContact CD1-CH2 4.04Å; L134-W218 HydrophobicContact CD1-CZ3 3.71Å; L134-W218 HydrophobicContact CD2-CD2 3.85Å; L134-W218 HydrophobicContact CD2-CE3 3.49Å; L134-W218 VanDerWaalsContact CD2-CE3 3.49Å; L134-W218 HydrophobicContact CD2-CG 4.28Å; L134-W218 HydrophobicContact CD2-CZ3 4.06Å; L134-W218 HydrophobicContact CG-CE3 4.36Å
135	N	98.8	Very high	88.8	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.027	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	144.4	172.5	-46.9	-65.4	0	0	0	109.1	Y75 L76 G77 F108 A164 V184 S185	Y75-N135 CarbonylContact O-C 3.49Å; Y75-N135 VanDerWaalsContact O-CA 3.23Å; Y75-N135 WeakPolarHBondContact O-CA 3.15Å; L76-N135 VanDerWaalsContact CA-OD1 3.26Å; L76-N135 WeakPolarHBondContact CA-OD1 3.39Å; L76-N135 HydrophobicContact CD2-CB 4.08Å; G77-N135 PolarHBondContact N-OD1 3.34Å; F108-N135 WeakPolarHBondContact CD1-OD1 3.42Å; N135-A164 VanDerWaalsContact ND2-CB 3.33Å; N135-A164 WeakPolarHBondContact ND2-CB 3.33Å; N135-A164 PolarHBondContact ND2-O 3.36Å; N135-V184 WeakPolarHBondContact O-CA 3.38Å; N135-V184 WeakPolarHBondContact O-CG1 3.44Å; N135-S185 PolarHBondContact N-O 3.31Å; N135-S185 PolarHBondContact ND2-OG 3.47Å; N135-S185 PolarHBondContact O-N 2.95Å; N135-S185 VanDerWaalsContact O-N 3.11Å
136	V	98.7	Very high	89.3	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.4	176.4	-172.9	0	0	0	0	108.3	Y75 I78 L134 V138 I182 V184 W218 I223 F226	Y75-V136 PolarHBondContact N-O 3.3Å; Y75-V136 PolarHBondContact O-N 3.02Å; I78-V136 HydrophobicContact CD1-CG2 4.06Å; L134-V136 HydrophobicContact CD1-CG2 3.51Å; V136-V138 HydrophobicContact CG1-CG2 3.74Å; V136-I182 HydrophobicContact CG1-CG2 3.8Å; V136-V184 HydrophobicContact CG1-CG2 4.34Å; V136-V184 HydrophobicContact CG2-CG2 4.32Å; V136-W218 HydrophobicContact CG2-CH2 4.27Å; V136-W218 HydrophobicContact CG2-CZ3 4.13Å; V136-I223 HydrophobicContact CG1-CD1 4Å; V136-F226 HydrophobicContact CB-CD1 4.47Å; V136-F226 HydrophobicContact CG1-CB 4.3Å; V136-F226 HydrophobicContact CG1-CD1 4.01Å; V136-F226 HydrophobicContact CG1-CG 4.13Å
137	I	97.9	Very high	89.7	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115	177.1	-51	179.5	0	0	0	108.5	A72 E73 I169 T172 V173 V177 F183	A72-I137 HydrophobicContact CB-CG2 3.69Å; E73-I137 WeakPolarHBondContact O-CA 3.46Å; I137-I169 HydrophobicContact CD1-CG1 4.47Å; I137-T172 HydrophobicContact CD1-CG2 3.98Å; I137-V173 HydrophobicContact CG2-CG2 3.79Å; I137-V177 HydrophobicContact CB-CG2 4.23Å; I137-V177 HydrophobicContact CG2-CG2 3.77Å; I137-F183 HydrophobicContact CB-CB 4.46Å; I137-F183 HydrophobicContact CD1-CD1 4.31Å; I137-F183 PolarHBondContact N-O 3.25Å; I137-F183 PolarHBondContact O-N 3.35Å
138	V	96.8	Very high	89.8	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.2	-169.4	-172.9	0	0	0	0	109.8	A72 E73 Y75 V136 H140 I182 F226	A72-V138 CarbonylContact C-O 3.15Å; A72-V138 WeakPolarHBondContact CA-O 3.34Å; A72-V138 VanDerWaalsContact CB-O 3.28Å; A72-V138 WeakPolarHBondContact CB-O 3.35Å; E73-V138 HydrophobicContact CB-CB 4.31Å; E73-V138 PolarHBondContact N-O 3.43Å; E73-V138 PolarHBondContact O-N 3.44Å; Y75-V138 HydrophobicContact CE2-CG2 4.48Å; V136-V138 HydrophobicContact CG1-CG2 3.74Å; V138-H140 PolarHBondContact O-N 2.96Å; V138-I182 HydrophobicContact CG1-CD1 4.25Å; V138-I182 HydrophobicContact CG1-CG1 4.2Å; V138-I182 HydrophobicContact CG2-CD1 4.49Å; V138-I182 HydrophobicContact CG2-CG1 4.48Å; V138-I182 HydrophobicContact CG2-CG2 4.41Å; V138-F226 VanDerWaalsContact CG1-O 3.26Å; V138-F226 WeakPolarHBondContact CG1-O 3.38Å; V138-F226 HydrophobicContact CG2-CB 3.94Å; V138-F226 HydrophobicContact CG2-CD1 4.19Å
139	P	95	Very high	89.9	Confident	7 Å²	7	38.8 Å²	38.8	5%	0.045	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	128.1	169.1	-21	31.3	0	0	0	111.7	Y148 V177	P139-Y148 HydrophobicContact CB-CE2 4.01Å; P139-Y148 HydrophobicContact CG-CD1 4.38Å; P139-Y148 HydrophobicContact CG-CD2 4.04Å; P139-Y148 HydrophobicContact CG-CE1 4.37Å; P139-Y148 HydrophobicContact CG-CE2 3.96Å; P139-Y148 HydrophobicContact CG-CG 4.25Å; P139-V177 HydrophobicContact CB-CG1 4.12Å; P139-V177 HydrophobicContact CG-CG1 3.66Å
140	H	88.4	Confident	89.9	Confident	66 Å²	66	37.6 Å²	37.6	31%	0.306	22%	0.22	S	C	.	.	S	Bend	trans	-83	-9.7	-176.5	-176.3	54.5	0	0	0	113.7	I64 S71 E73 V138	I64-H140 WeakPolarHBondContact CD1-CE1 3.19Å; I64-H140 WeakPolarHBondContact CD1-NE2 3.45Å; S71-H140 WeakPolarHBondContact O-CB 3.43Å; S71-H140 PolarHBondContact O-N 3.41Å; E73-H140 HydrophobicContact CG-CB 4.17Å; E73-H140 WeakPolarHBondContact CG-ND1 3.42Å; E73-H140 IonicContact OE1-CE1 3.98Å; E73-H140 IonicContact OE1-ND1 3.15Å; E73-H140 PolarHBondContact OE1-ND1 2.81Å; E73-H140 VanDerWaalsContact OE1-ND1 3.15Å; V138-H140 PolarHBondContact O-N 2.96Å
141	S	74.6	Confident	90	Very high	57 Å²	57	35.5 Å²	35.5	40%	0.399	21%	0.209	S	C	.	.	S	Bend	trans	-134.4	149.3	-176.8	58	0	0	0	0	113.4	V143 Y148	S141-V143 PolarHBondContact O-N 3.4Å; S141-Y148 PolarHBondContact O-OH 2.72Å
142	S	63	Low	90	Very high	104 Å²	104	35.4 Å²	35.4	73%	0.727	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	18.8	-174.7	57.8	0	0	0	0	115.2	H144	S142-H144 CarbonylContact C-O 3.46Å; S142-H144 PolarHBondContact O-N 2.97Å
143	V	63.3	Low	90.1	Very high	116 Å²	116	35.4 Å²	35.4	70%	0.703	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.8	179.5	-178	0	0	0	0	111.1	S141	S141-V143 PolarHBondContact O-N 3.4Å
144	H	70.3	Confident	90.1	Very high	62 Å²	62	34.3 Å²	34.3	29%	0.287	20%	0.204	S	C	.	.	S	Bend	trans	-110.1	148.2	172.3	-58.9	-76.9	0	0	0	110.9	S142 K146 Y148 S178 G180	S142-H144 CarbonylContact C-O 3.46Å; S142-H144 PolarHBondContact O-N 2.97Å; H144-K146 PolarHBondContact O-N 3.31Å; H144-Y148 HydrophobicContact CB-CD1 4.32Å; H144-Y148 HydrophobicContact CB-CE1 3.68Å; H144-Y148 WeakPolarHBondContact O-CE1 3.23Å; H144-Y148 PolarHBondContact O-OH 2.77Å; H144-S178 PolarHBondContact NE2-O 2.67Å; H144-G180 WeakPolarHBondContact CD2-CA 3.33Å; H144-G180 PolarHBondContact CD2-N 2.98Å; H144-G180 PolarHBondContact NE2-N 2.83Å
145	S	78.2	Confident	90	Very high	114 Å²	114	34.4 Å²	34.4	80%	0.797	20%	0.204	S	C	*	.	P	Polyproline II helix	trans	-69.7	121.8	-179.8	-49.1	0	0	0	0	112
146	K	85.2	Confident	89.8	Confident	104 Å²	104	34.6 Å²	34.6	45%	0.452	21%	0.208	S	C	.	.	S	Bend	trans	-72.9	156.8	170	-66.9	178.8	-179.8	-170.2	0	111.2	H144 Y148 D227	H144-K146 PolarHBondContact O-N 3.31Å; K146-Y148 HydrophobicContact CD-CE2 4.23Å; K146-Y148 WeakPolarHBondContact CE-OH 3.03Å; K146-Y148 HydrophobicContact CG-CD2 4.23Å; K146-Y148 HydrophobicContact CG-CE1 4.07Å; K146-Y148 HydrophobicContact CG-CE2 3.62Å; K146-D227 HydrophobicContact CD-CB 3.84Å; K146-D227 WeakPolarHBondContact CE-OD2 3.29Å; K146-D227 HydrophobicContact CG-CB 4.24Å; K146-D227 IonicContact NZ-OD1 3.69Å; K146-D227 PolarHBondContact NZ-OD1 3Å; K146-D227 IonicContact NZ-OD2 3.73Å; K146-D227 PolarHBondContact NZ-OD2 3.23Å
147	P	94.9	Very high	89.5	Confident	64 Å²	64	35.4 Å²	35.4	42%	0.416	22%	0.216	S	C	.	.	S	Bend	cis	-73.9	145.7	-7.9	31.5	-35.6	0	0	0	112.3	D227 D229	P147-D227 CarbonylContact C-O 3.5Å; P147-D227 VanDerWaalsContact CA-O 3.26Å; P147-D227 WeakPolarHBondContact CA-O 3.5Å; P147-D229 HydrophobicContact CB-CB 3.84Å; P147-D229 HydrophobicContact CG-CB 3.8Å
148	Y	96.3	Very high	89.2	Confident	1 Å²	1	36.4 Å²	36.4	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	140.5	-174.6	-61.6	-58.1	0	0	0	112.3	P139 S141 H144 K146 I182 D227 G228 D229	P139-Y148 HydrophobicContact CB-CE2 4.01Å; P139-Y148 HydrophobicContact CG-CD1 4.38Å; P139-Y148 HydrophobicContact CG-CD2 4.04Å; P139-Y148 HydrophobicContact CG-CE1 4.37Å; P139-Y148 HydrophobicContact CG-CE2 3.96Å; P139-Y148 HydrophobicContact CG-CG 4.25Å; S141-Y148 PolarHBondContact O-OH 2.72Å; H144-Y148 HydrophobicContact CB-CD1 4.32Å; H144-Y148 HydrophobicContact CB-CE1 3.68Å; H144-Y148 WeakPolarHBondContact O-CE1 3.23Å; H144-Y148 PolarHBondContact O-OH 2.77Å; K146-Y148 HydrophobicContact CD-CE2 4.23Å; K146-Y148 WeakPolarHBondContact CE-OH 3.03Å; K146-Y148 HydrophobicContact CG-CD2 4.23Å; K146-Y148 HydrophobicContact CG-CE1 4.07Å; K146-Y148 HydrophobicContact CG-CE2 3.62Å; Y148-I182 HydrophobicContact CD2-CD1 4.31Å; Y148-I182 HydrophobicContact CD2-CG1 4.25Å; Y148-I182 HydrophobicContact CG-CG1 4.44Å; Y148-D227 HydrophobicContact CD2-CB 4.07Å; Y148-D227 HydrophobicContact CE2-CB 4.16Å; Y148-D227 PolarHBondContact N-O 2.6Å; Y148-G228 CarbonylContact O-C 3.57Å; Y148-G228 WeakPolarHBondContact O-CA 3.47Å; Y148-D229 PolarHBondContact O-N 2.78Å
149	P	97.1	Very high	89.2	Confident	14 Å²	14	36.4 Å²	36.4	9%	0.091	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	152.3	167.3	32.6	-36.1	0	0	0	110.7	G180 V181 I182 K232 V544 K545	P149-G180 WeakPolarHBondContact CD-O 3.02Å; P149-V181 HydrophobicContact CG-CG1 4.09Å; P149-V181 WeakPolarHBondContact O-CA 3.47Å; P149-I182 PolarHBondContact O-N 2.79Å; P149-K232 HydrophobicContact CB-CB 3.91Å; P149-K232 HydrophobicContact CB-CD 4.4Å; P149-V544 HydrophobicContact CB-CG1 4.03Å; P149-V544 HydrophobicContact CG-CG1 4.44Å; P149-K545 HydrophobicContact CG-CG 3.78Å
150	V	98.8	Very high	89	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.2	-167.4	-172.5	0	0	0	0	109.4	V152 I182 V184 V219 I223 K232 V233 T234	V150-V152 HydrophobicContact CG1-CG2 4.08Å; V150-I182 HydrophobicContact CG1-CB 4.43Å; V150-I182 HydrophobicContact CG1-CG2 4.41Å; V150-I182 HydrophobicContact CG2-CB 4.47Å; V150-V184 HydrophobicContact CG1-CG2 3.88Å; V150-V219 HydrophobicContact CG1-CG1 4.15Å; V150-I223 HydrophobicContact CB-CG1 4.49Å; V150-I223 HydrophobicContact CG1-CD1 4.31Å; V150-I223 HydrophobicContact CG1-CG1 4.03Å; V150-I223 HydrophobicContact CG2-CG1 3.62Å; V150-I223 HydrophobicContact CG2-CG2 4.15Å; V150-K232 PolarHBondContact N-O 2.78Å; V150-V233 HydrophobicContact CB-CG2 4.18Å; V150-V233 HydrophobicContact CG2-CG2 4.44Å; V150-T234 PolarHBondContact O-N 3Å
151	L	98.8	Very high	89.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	109.4	171.5	177.2	58.7	0	0	0	108.8	W153 L176 I182 F183 V184 T234 C236 L540 V544	L151-W153 HydrophobicContact CD2-CE3 4.31Å; L151-L176 HydrophobicContact CD2-CD1 4.21Å; L151-I182 PolarHBondContact N-O 3.24Å; L151-F183 HydrophobicContact CD2-CD2 4.18Å; L151-F183 HydrophobicContact CG-CD2 4.41Å; L151-V184 PolarHBondContact O-N 3.42Å; L151-T234 WeakPolarHBondContact CA-O 3.32Å; L151-T234 HydrophobicContact CD1-CG2 4.43Å; L151-C236 HydrophobicContact CD1-CB 3.43Å; L151-C236 VanDerWaalsContact CD1-CB 3.43Å; L151-L540 HydrophobicContact CD2-CD2 4.04Å; L151-L540 HydrophobicContact CD2-CG 4.36Å; L151-V544 HydrophobicContact CB-CG1 4.38Å; L151-V544 HydrophobicContact CB-CG2 4.19Å; L151-V544 HydrophobicContact CD1-CG2 3.84Å; L151-V544 HydrophobicContact CD2-CG2 4.39Å; L151-V544 HydrophobicContact CG-CG2 4.37Å
152	V	98.9	Very high	90	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.4	174.1	-174.9	0	0	0	0	108.9	V150 V184 I186 L216 V219 V233 T234 I235 C236	V150-V152 HydrophobicContact CG1-CG2 4.08Å; V152-V184 CarbonylContact C-O 3.51Å; V152-V184 WeakPolarHBondContact CA-O 3.24Å; V152-V184 HydrophobicContact CB-CB 4.46Å; V152-V184 HydrophobicContact CG1-CB 4.41Å; V152-V184 HydrophobicContact CG1-CG1 4.29Å; V152-V184 HydrophobicContact CG2-CB 4.13Å; V152-I186 HydrophobicContact CG1-CG2 4.05Å; V152-L216 HydrophobicContact CB-CD2 4.16Å; V152-L216 HydrophobicContact CG1-CD2 3.89Å; V152-L216 HydrophobicContact CG2-CD2 4.22Å; V152-V219 HydrophobicContact CG2-CB 4.48Å; V152-V219 HydrophobicContact CG2-CG1 3.97Å; V152-V219 HydrophobicContact CG2-CG2 4.07Å; V152-V233 HydrophobicContact CG2-CG1 3.79Å; V152-T234 PolarHBondContact N-O 3.35Å; V152-I235 HydrophobicContact CB-CG2 4.32Å; V152-I235 CarbonylContact O-C 3.48Å; V152-I235 WeakPolarHBondContact O-CA 3.21Å; V152-C236 PolarHBondContact O-N 3.17Å
153	W	98.8	Very high	91.5	Very high	1 Å²	1	26.5 Å²	26.5	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.3	-177	-159.2	-67.2	0	0	0	111.8	L151 F167 F183 V184 I186 C236 L506 L509 F510 L540	L151-W153 HydrophobicContact CD2-CE3 4.31Å; W153-F167 AromaticContact CD1-CE1 3.74Å; W153-F167 AromaticContact CD1-CE2 3.75Å; W153-F167 AromaticContact CD1-CZ 3.1Å; W153-F167 HydrophobicContact CD2-CE1 4.15Å; W153-F167 HydrophobicContact CD2-CZ 4.24Å; W153-F167 AromaticContact CE2-CE1 3.77Å; W153-F167 AromaticContact CE2-CZ 3.96Å; W153-F167 HydrophobicContact CG-CE1 4.13Å; W153-F167 HydrophobicContact CG-CE2 4.17Å; W153-F167 AromaticContact CG-CZ 3.74Å; W153-F167 HydrophobicContact CG-CZ 3.74Å; W153-F167 HydrophobicContact CZ2-CE1 4.38Å; W153-F167 AromaticContact NE1-CE1 3.51Å; W153-F167 AromaticContact NE1-CZ 3.26Å; W153-F167 VanDerWaalsContact NE1-CZ 3.26Å; W153-F183 HydrophobicContact CB-CE2 3.84Å; W153-F183 HydrophobicContact CB-CZ 3.78Å; W153-F183 HydrophobicContact CD2-CE2 4.18Å; W153-F183 HydrophobicContact CD2-CZ 4.43Å; W153-F183 AromaticContact CE3-CE2 3.75Å; W153-F183 HydrophobicContact CE3-CE2 3.75Å; W153-F183 HydrophobicContact CE3-CZ 4.42Å; W153-F183 HydrophobicContact CG-CE2 4.26Å; W153-F183 HydrophobicContact CG-CZ 4.2Å; W153-V184 PolarHBondContact N-O 3.34Å; W153-I186 PolarHBondContact O-N 3.46Å; W153-C236 CarbonylContact C-O 3.6Å; W153-C236 VanDerWaalsContact CA-O 3.31Å; W153-C236 WeakPolarHBondContact CA-O 3.18Å; W153-C236 HydrophobicContact CD2-CB 4.49Å; W153-C236 HydrophobicContact CE3-CB 4.1Å; W153-C236 HydrophobicContact CZ3-CB 4.44Å; W153-C236 VanDerWaalsContact CZ3-SG 3.55Å; W153-L506 HydrophobicContact CH2-CG 4.34Å; W153-L506 HydrophobicContact CZ2-CD1 4.41Å; W153-L506 HydrophobicContact CZ2-CD2 3.88Å; W153-L506 HydrophobicContact CZ2-CG 3.9Å; W153-L509 HydrophobicContact CH2-CD2 3.73Å; W153-L509 HydrophobicContact CZ3-CD2 3.89Å; W153-F510 HydrophobicContact CD2-CZ 4.24Å; W153-F510 HydrophobicContact CE3-CE2 4.36Å; W153-F510 AromaticContact CE3-CZ 3.93Å; W153-F510 HydrophobicContact CE3-CZ 3.93Å; W153-F510 AromaticContact CH2-CE2 3.56Å; W153-F510 HydrophobicContact CH2-CE2 3.56Å; W153-F510 AromaticContact CH2-CZ 3.94Å; W153-F510 HydrophobicContact CH2-CZ 3.94Å; W153-F510 AromaticContact CZ2-CE2 3.78Å; W153-F510 HydrophobicContact CZ2-CE2 3.78Å; W153-F510 HydrophobicContact CZ2-CZ 4.29Å; W153-F510 AromaticContact CZ3-CE2 3.87Å; W153-F510 HydrophobicContact CZ3-CE2 3.87Å; W153-F510 AromaticContact CZ3-CZ 3.74Å; W153-F510 HydrophobicContact CZ3-CZ 3.74Å; W153-L540 HydrophobicContact CZ3-CD2 4.08Å
154	I	98.8	Very high	93.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.2	174.1	-52.4	179.1	0	0	0	107.6	I186 Y188 Q212 C236 G237 G241 V245 L248	I154-I186 HydrophobicContact CG1-CD1 4.05Å; I154-I186 HydrophobicContact CG1-CG1 4.4Å; I154-Y188 HydrophobicContact CG2-CD1 4.24Å; I154-Y188 HydrophobicContact CG2-CE1 3.78Å; I154-Q212 HydrophobicContact CG2-CG 4.28Å; I154-C236 PolarHBondContact N-O 3.27Å; I154-G237 WeakPolarHBondContact O-CA 3.33Å; I154-G241 WeakPolarHBondContact O-CA 3.4Å; I154-V245 HydrophobicContact CD1-CG2 4Å; I154-L248 HydrophobicContact CD1-CD1 3.57Å
155	H	97.5	Very high	94.2	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.009	13%	0.133	C	C	.	.			trans	-70.6	150	-175.8	68	81.1	0	0	0	112.8	G162 G163 L166 F167 I186 Y188 G241	H155-G162 PolarHBondContact CE1-O 3.4Å; H155-G162 VanDerWaalsContact ND1-C 3.33Å; H155-G162 WeakPolarHBondContact ND1-CA 3.29Å; H155-G163 VanDerWaalsContact CD2-C 3.47Å; H155-G163 WeakPolarHBondContact CD2-CA 3.28Å; H155-G163 PolarHBondContact CD2-N 2.99Å; H155-G163 VanDerWaalsContact CD2-N 3.32Å; H155-G163 PolarHBondContact CE1-N 2.77Å; H155-G163 VanDerWaalsContact CE1-N 3.26Å; H155-G163 VanDerWaalsContact CG-N 3.29Å; H155-G163 PolarHBondContact ND1-N 3.09Å; H155-G163 VanDerWaalsContact NE2-CA 3.32Å; H155-G163 WeakPolarHBondContact NE2-CA 3.23Å; H155-G163 PolarHBondContact NE2-N 2.8Å; H155-L166 HydrophobicContact CB-CD1 3.8Å; H155-F167 HydrophobicContact CB-CZ 4.35Å; H155-I186 PolarHBondContact CD2-O 3.03Å; H155-Y188 AromaticContact CD2-CE1 3.65Å; H155-Y188 AromaticContact CE1-CE1 3.39Å; H155-Y188 WeakPolarHBondContact CE1-CE1 3.1Å; H155-Y188 AromaticContact CE1-CZ 3.63Å; H155-Y188 AromaticContact CG-CE1 4Å; H155-Y188 AromaticContact ND1-CE1 3.84Å; H155-Y188 AromaticContact NE2-CD1 3.56Å; H155-Y188 AromaticContact NE2-CE1 3.26Å; H155-Y188 VanDerWaalsContact NE2-CE1 3.26Å; H155-Y188 WeakPolarHBondContact NE2-CE1 3.47Å; H155-Y188 AromaticContact NE2-CZ 3.96Å; H155-Y188 PolarHBondContact O-OH 2.88Å; H155-G241 WeakPolarHBondContact O-CA 3.31Å
156	G	95	Very high	94.8	Very high	9 Å²	9	17.9 Å²	17.9	9%	0.093	10%	0.099	C	C	.	.			trans	-77	-163.7	168.8	0	0	0	0	0	113.1	E238 S240	G156-E238 WeakPolarHBondContact CA-O 3.35Å; G156-E238 PolarHBondContact N-O 3Å; G156-S240 VanDerWaalsContact C-OG 3.32Å; G156-S240 WeakPolarHBondContact CA-OG 3.16Å
157	G	91.5	Very high	95.3	Very high	18 Å²	18	13.2 Å²	13.2	19%	0.186	8%	0.079	C	C	.	.	S	Bend	trans	114.8	36	-178.7	0	0	0	0	0	114.6	Y159 Q160 V161 S240	G157-Y159 PolarHBondContact O-N 3.14Å; G157-Q160 PolarHBondContact O-N 3.34Å; G157-V161 WeakPolarHBondContact CA-O 3.46Å; G157-V161 WeakPolarHBondContact O-CG2 3.32Å; G157-V161 PolarHBondContact O-N 2.95Å; G157-S240 PolarHBondContact N-OG 2.79Å
158	S	92.4	Very high	95.2	Very high	26 Å²	26	12.1 Å²	12.1	18%	0.182	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	21.9	174.6	-56.1	0	0	0	0	115.3	Q160 S240 H345	S158-Q160 PolarHBondContact O-N 3.48Å; S158-S240 PolarHBondContact N-OG 2.79Å; S158-S240 VanDerWaalsContact N-OG 3.13Å; S158-H345 WeakPolarHBondContact CB-O 3.4Å
159	Y	95.6	Very high	95.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	7.5	-168.8	-53.3	-78.4	0	0	0	115.3	G157 Y188 L190 G191 F195 S240 A243 S244 T349 P350	G157-Y159 PolarHBondContact O-N 3.14Å; Y159-Y188 HydrophobicContact CD1-CE2 4.38Å; Y159-L190 CarbonylContact O-C 3.6Å; Y159-L190 WeakPolarHBondContact O-CA 3.24Å; Y159-L190 WeakPolarHBondContact O-CB 3.32Å; Y159-L190 WeakPolarHBondContact O-CD2 3.41Å; Y159-G191 PolarHBondContact O-N 3.1Å; Y159-F195 HydrophobicContact CD1-CE1 4.11Å; Y159-F195 AromaticContact CD1-CE2 3.91Å; Y159-F195 HydrophobicContact CD1-CE2 3.91Å; Y159-F195 AromaticContact CD1-CZ 3.5Å; Y159-F195 HydrophobicContact CD1-CZ 3.5Å; Y159-F195 VanDerWaalsContact CD1-CZ 3.5Å; Y159-F195 HydrophobicContact CE1-CZ 4.23Å; Y159-F195 HydrophobicContact CG-CE2 4.18Å; Y159-F195 HydrophobicContact CG-CZ 4.14Å; Y159-S240 WeakPolarHBondContact CE1-O 3.45Å; Y159-S240 PolarHBondContact N-OG 3.48Å; Y159-S240 VanDerWaalsContact N-OG 3.16Å; Y159-S240 PolarHBondContact OH-O 3.19Å; Y159-A243 WeakPolarHBondContact OH-CB 3.42Å; Y159-S244 WeakPolarHBondContact CE1-OG 2.94Å; Y159-T349 HydrophobicContact CD2-CG2 4Å; Y159-P350 HydrophobicContact CD1-CG 4.33Å; Y159-P350 HydrophobicContact CE1-CG 3.73Å; Y159-P350 HydrophobicContact CE2-CG 4.17Å
160	Q	92.5	Very high	95	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-28.7	-177.5	-49.4	-60.8	-37.7	0	0	113.2	F115 W116 G157 S158 W316 H345 F348	F115-Q160 HydrophobicContact CB-CB 4.22Å; F115-Q160 PolarHBondContact N-O 3.45Å; F115-Q160 WeakPolarHBondContact O-CB 3.2Å; W116-Q160 HydrophobicContact CE3-CB 4.36Å; G157-Q160 PolarHBondContact O-N 3.34Å; S158-Q160 PolarHBondContact O-N 3.48Å; Q160-W316 HydrophobicContact CG-CZ2 4.2Å; Q160-H345 WeakPolarHBondContact CG-O 3.44Å; Q160-F348 PolarHBondContact NE2-O 3.07Å
161	V	92	Very high	94.9	Very high	18 Å²	18	18 Å²	18	11%	0.109	10%	0.099	C	C	.	.	S	Bend	trans	-136.1	174.5	-177.2	-61.8	0	0	0	0	112	Q114 F115 W116 L122 G157	Q114-V161 HydrophobicContact CB-CG1 4.24Å; Q114-V161 VanDerWaalsContact OE1-CB 3.29Å; F115-V161 WeakPolarHBondContact O-CG1 3.46Å; W116-V161 HydrophobicContact CB-CG1 3.74Å; W116-V161 HydrophobicContact CD2-CG1 3.86Å; W116-V161 HydrophobicContact CD2-CG2 4.33Å; W116-V161 HydrophobicContact CE3-CB 4.33Å; W116-V161 HydrophobicContact CE3-CG1 3.53Å; W116-V161 HydrophobicContact CE3-CG2 3.8Å; W116-V161 HydrophobicContact CG-CG1 3.97Å; W116-V161 HydrophobicContact CH2-CG2 4.38Å; W116-V161 HydrophobicContact CZ3-CG1 4.36Å; W116-V161 HydrophobicContact CZ3-CG2 3.82Å; L122-V161 HydrophobicContact CD1-CG1 3.99Å; G157-V161 WeakPolarHBondContact CA-O 3.46Å; G157-V161 WeakPolarHBondContact O-CG2 3.32Å; G157-V161 PolarHBondContact O-N 2.95Å
162	G	91.7	Very high	94.7	Very high	7 Å²	7	18 Å²	18	7%	0.072	10%	0.099	C	C	.	.			trans	102.6	178	179.8	0	0	0	0	0	113.2	W111 Q114 H155	W111-G162 VanDerWaalsContact CZ3-C 3.47Å; Q114-G162 PolarHBondContact NE2-O 3.27Å; Q114-G162 PolarHBondContact OE1-O 3.24Å; H155-G162 PolarHBondContact CE1-O 3.4Å; H155-G162 VanDerWaalsContact ND1-C 3.33Å; H155-G162 WeakPolarHBondContact ND1-CA 3.29Å
163	G	94.4	Very high	94.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.			trans	176.7	168.4	-176.6	0	0	0	0	0	113.8	W111 H155 R165 L166 N187	W111-G163 VanDerWaalsContact CZ3-CA 3.5Å; W111-G163 VanDerWaalsContact CZ3-N 3.26Å; H155-G163 VanDerWaalsContact CD2-C 3.47Å; H155-G163 WeakPolarHBondContact CD2-CA 3.28Å; H155-G163 PolarHBondContact CD2-N 2.99Å; H155-G163 VanDerWaalsContact CD2-N 3.32Å; H155-G163 PolarHBondContact CE1-N 2.77Å; H155-G163 VanDerWaalsContact CE1-N 3.26Å; H155-G163 VanDerWaalsContact CG-N 3.29Å; H155-G163 PolarHBondContact ND1-N 3.09Å; H155-G163 VanDerWaalsContact NE2-CA 3.32Å; H155-G163 WeakPolarHBondContact NE2-CA 3.23Å; H155-G163 PolarHBondContact NE2-N 2.8Å; G163-R165 PolarHBondContact O-N 3.45Å; G163-R165 VanDerWaalsContact O-N 3.16Å; G163-L166 WeakPolarHBondContact O-CD1 3.31Å; G163-L166 VanDerWaalsContact O-CG 3.23Å; G163-L166 WeakPolarHBondContact O-CG 3.07Å; G163-L166 PolarHBondContact O-N 2.86Å; G163-N187 VanDerWaalsContact CA-OD1 3.32Å; G163-N187 WeakPolarHBondContact CA-OD1 3.47Å
164	A	95.9	Very high	94.4	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.025	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-63.9	-21.2	-175.9	0	0	0	0	0	114.1	N135 F167 S185 N187	N135-A164 VanDerWaalsContact ND2-CB 3.33Å; N135-A164 WeakPolarHBondContact ND2-CB 3.33Å; N135-A164 PolarHBondContact ND2-O 3.36Å; A164-F167 WeakPolarHBondContact O-CD2 3.03Å; A164-S185 WeakPolarHBondContact O-CB 3.28Å; A164-S185 PolarHBondContact O-OG 3.01Å; A164-N187 WeakPolarHBondContact CB-OD1 3.38Å; A164-N187 PolarHBondContact N-OD1 3.45Å
165	R	93.2	Very high	94.2	Very high	92 Å²	92	21.5 Å²	21.5	35%	0.347	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-94.1	7.6	-176.6	68.9	-175.9	-78.7	-171.6	9.8	114.4	F108 W111 G163 F167	F108-R165 HydrophobicContact CB-CB 4.18Å; F108-R165 HydrophobicContact CD1-CB 3.52Å; F108-R165 HydrophobicContact CD2-CB 4.44Å; F108-R165 HydrophobicContact CE1-CB 3.92Å; F108-R165 HydrophobicContact CG-CB 3.81Å; W111-R165 HydrophobicContact CD2-CG 3.94Å; W111-R165 HydrophobicContact CE3-CG 4.37Å; W111-R165 HydrophobicContact CH2-CG 3.63Å; W111-R165 HydrophobicContact CZ2-CG 3.18Å; W111-R165 HydrophobicContact CZ3-CG 4.24Å; G163-R165 PolarHBondContact O-N 3.45Å; G163-R165 VanDerWaalsContact O-N 3.16Å; R165-F167 PolarHBondContact O-N 3.39Å
166	L	92.2	Very high	94.1	Very high	17 Å²	17	21.4 Å²	21.4	9%	0.089	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-61.1	-25	172.5	-72.9	168.1	0	0	0	112.6	W111 H155 G163 P168 S514 V515	W111-L166 HydrophobicContact CH2-CB 4.48Å; W111-L166 HydrophobicContact CH2-CD2 3.42Å; W111-L166 VanDerWaalsContact CH2-CD2 3.42Å; W111-L166 HydrophobicContact CH2-CG 3.61Å; W111-L166 HydrophobicContact CZ3-CD1 4.42Å; W111-L166 HydrophobicContact CZ3-CD2 3.69Å; W111-L166 HydrophobicContact CZ3-CG 3.66Å; H155-L166 HydrophobicContact CB-CD1 3.8Å; G163-L166 WeakPolarHBondContact O-CD1 3.31Å; G163-L166 VanDerWaalsContact O-CG 3.23Å; G163-L166 WeakPolarHBondContact O-CG 3.07Å; G163-L166 PolarHBondContact O-N 2.86Å; L166-P168 WeakPolarHBondContact O-CD 3.45Å; L166-S514 WeakPolarHBondContact CD2-O 3.46Å; L166-S514 PolarHBondContact O-OG 3.4Å; L166-V515 WeakPolarHBondContact O-CG1 3.43Å
167	F	94.3	Very high	94.2	Very high	6 Å²	6	21 Å²	21	3%	0.026	11%	0.109	C	C	.	.	S	Bend	trans	-95.3	112.1	-171.8	-47.3	-72.5	0	0	0	111	W153 H155 A164 R165 F183 F510 V515	W153-F167 AromaticContact CD1-CE1 3.74Å; W153-F167 AromaticContact CD1-CE2 3.75Å; W153-F167 AromaticContact CD1-CZ 3.1Å; W153-F167 HydrophobicContact CD2-CE1 4.15Å; W153-F167 HydrophobicContact CD2-CZ 4.24Å; W153-F167 AromaticContact CE2-CE1 3.77Å; W153-F167 AromaticContact CE2-CZ 3.96Å; W153-F167 HydrophobicContact CG-CE1 4.13Å; W153-F167 HydrophobicContact CG-CE2 4.17Å; W153-F167 AromaticContact CG-CZ 3.74Å; W153-F167 HydrophobicContact CG-CZ 3.74Å; W153-F167 HydrophobicContact CZ2-CE1 4.38Å; W153-F167 AromaticContact NE1-CE1 3.51Å; W153-F167 AromaticContact NE1-CZ 3.26Å; W153-F167 VanDerWaalsContact NE1-CZ 3.26Å; H155-F167 HydrophobicContact CB-CZ 4.35Å; A164-F167 WeakPolarHBondContact O-CD2 3.03Å; R165-F167 PolarHBondContact O-N 3.39Å; F167-F183 HydrophobicContact CB-CE1 4Å; F167-F183 HydrophobicContact CB-CZ 4.05Å; F167-F183 HydrophobicContact CD1-CZ 4.16Å; F167-F183 HydrophobicContact CD2-CE1 4.08Å; F167-F183 AromaticContact CD2-CZ 3.89Å; F167-F183 HydrophobicContact CD2-CZ 3.89Å; F167-F183 HydrophobicContact CE2-CZ 4.48Å; F167-F183 HydrophobicContact CG-CE1 4.06Å; F167-F183 AromaticContact CG-CZ 3.72Å; F167-F183 HydrophobicContact CG-CZ 3.72Å; F167-F510 HydrophobicContact CB-CD1 4.21Å; F167-F510 HydrophobicContact CB-CE1 3.99Å; F167-F510 AromaticContact CD1-CD1 3.96Å; F167-F510 HydrophobicContact CD1-CD1 3.96Å; F167-F510 AromaticContact CD1-CD2 3.97Å; F167-F510 HydrophobicContact CD1-CD2 3.97Å; F167-F510 AromaticContact CD1-CE1 3.54Å; F167-F510 HydrophobicContact CD1-CE1 3.54Å; F167-F510 AromaticContact CD1-CE2 3.54Å; F167-F510 HydrophobicContact CD1-CE2 3.54Å; F167-F510 HydrophobicContact CD1-CG 4.16Å; F167-F510 AromaticContact CD1-CZ 3.31Å; F167-F510 HydrophobicContact CD1-CZ 3.31Å; F167-F510 HydrophobicContact CE1-CD2 4.37Å; F167-F510 HydrophobicContact CE1-CE1 4.46Å; F167-F510 AromaticContact CE1-CE2 3.74Å; F167-F510 HydrophobicContact CE1-CE2 3.74Å; F167-F510 AromaticContact CE1-CZ 3.81Å; F167-F510 HydrophobicContact CE1-CZ 3.81Å; F167-F510 HydrophobicContact CG-CE1 4.08Å; F167-F510 HydrophobicContact CG-CZ 4.18Å; F167-V515 HydrophobicContact CD1-CG1 3.89Å; F167-V515 HydrophobicContact CE1-CG1 4.16Å
168	P	93.8	Very high	94.2	Very high	40 Å²	40	21.3 Å²	21.3	26%	0.26	11%	0.108	S	C	.	.			trans	-66.1	140.3	178.9	-18.7	32	0	0	0	111.6	L166 S171 T172	L166-P168 WeakPolarHBondContact O-CD 3.45Å; P168-S171 PolarHBondContact O-OG 2.81Å; P168-T172 WeakPolarHBondContact O-CB 3.28Å; P168-T172 PolarHBondContact O-N 2.9Å; P168-T172 VanDerWaalsContact O-N 3.07Å; P168-T172 PolarHBondContact O-OG1 3.19Å
169	I	95.2	Very high	94.2	Very high	28 Å²	28	22.2 Å²	22.2	14%	0.144	11%	0.109	C	C	.	.	H	α-helix	trans	-61.9	-50	-177.1	-63.7	170.8	0	0	0	110.7	F63 H65 L76 F108 I137 S171 T172 V173	F63-I169 HydrophobicContact CZ-CD1 3.95Å; H65-I169 HydrophobicContact CB-CG2 4.07Å; L76-I169 HydrophobicContact CD1-CD1 3.66Å; L76-I169 HydrophobicContact CD2-CD1 4.18Å; F108-I169 HydrophobicContact CE2-CD1 3.94Å; F108-I169 HydrophobicContact CE2-CG1 4.22Å; F108-I169 HydrophobicContact CZ-CD1 4.01Å; F108-I169 HydrophobicContact CZ-CG1 3.9Å; I137-I169 HydrophobicContact CD1-CG1 4.47Å; I169-S171 PolarHBondContact O-N 3.39Å; I169-T172 PolarHBondContact O-N 3.49Å; I169-V173 HydrophobicContact CG2-CG2 4.11Å; I169-V173 WeakPolarHBondContact O-CB 3.35Å; I169-V173 VanDerWaalsContact O-CG2 3.27Å; I169-V173 WeakPolarHBondContact O-CG2 3.45Å; I169-V173 PolarHBondContact O-N 2.92Å
170	E	94.5	Very high	94.1	Very high	106 Å²	106	22.4 Å²	22.4	50%	0.495	11%	0.111	S	C	.	.	H	α-helix	trans	-58.5	-50	-173.2	-169.3	-162.4	136.6	0	0	112.7	V173 R174	E170-V173 PolarHBondContact O-N 3.46Å; E170-R174 WeakPolarHBondContact O-CB 3.33Å; E170-R174 PolarHBondContact O-N 3.05Å; E170-R174 IonicContact OE1-NH1 3.21Å; E170-R174 PolarHBondContact OE1-NH1 3.15Å
171	S	94.8	Very high	94.2	Very high	6 Å²	6	22.4 Å²	22.4	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-72.5	-34.6	179.7	58.6	0	0	0	0	112.5	P168 I169 V173 R174 N175 F510	P168-S171 PolarHBondContact O-OG 2.81Å; I169-S171 PolarHBondContact O-N 3.39Å; S171-V173 VanDerWaalsContact C-N 3.32Å; S171-V173 PolarHBondContact O-N 2.85Å; S171-R174 PolarHBondContact O-N 3.05Å; S171-N175 WeakPolarHBondContact O-CB 2.74Å; S171-N175 VanDerWaalsContact O-CG 3.3Å; S171-N175 PolarHBondContact O-N 3.22Å; S171-F510 WeakPolarHBondContact CB-O 3.39Å; S171-F510 PolarHBondContact OG-O 2.78Å
172	T	96.4	Very high	94.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.3	-43.1	172.6	-59.6	0	0	0	0	110.8	I137 P168 I169 L176 V177 F183	I137-T172 HydrophobicContact CD1-CG2 3.98Å; P168-T172 WeakPolarHBondContact O-CB 3.28Å; P168-T172 PolarHBondContact O-N 2.9Å; P168-T172 VanDerWaalsContact O-N 3.07Å; P168-T172 PolarHBondContact O-OG1 3.19Å; I169-T172 PolarHBondContact O-N 3.49Å; T172-L176 HydrophobicContact CG2-CD1 4.45Å; T172-L176 WeakPolarHBondContact O-CA 3.24Å; T172-L176 WeakPolarHBondContact O-CB 2.98Å; T172-L176 PolarHBondContact O-N 3.28Å; T172-V177 HydrophobicContact CG2-CG2 4.35Å; T172-V177 PolarHBondContact O-N 2.89Å; T172-V177 VanDerWaalsContact O-N 3.08Å; T172-F183 HydrophobicContact CG2-CB 3.85Å; T172-F183 HydrophobicContact CG2-CD1 3.51Å; T172-F183 HydrophobicContact CG2-CD2 4.08Å; T172-F183 HydrophobicContact CG2-CE1 4Å; T172-F183 HydrophobicContact CG2-CG 3.54Å; T172-F183 HydrophobicContact CG2-CZ 4.47Å
173	V	95.7	Very high	94.9	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-66	-49.9	177.1	172.3	0	0	0	0	110.9	A70 A72 I137 I169 E170 S171 N175 V177 S178	A70-V173 HydrophobicContact CB-CG1 4.46Å; A70-V173 WeakPolarHBondContact O-CG1 3.35Å; A72-V173 HydrophobicContact CB-CB 4.37Å; A72-V173 HydrophobicContact CB-CG1 3.94Å; A72-V173 HydrophobicContact CB-CG2 3.46Å; A72-V173 VanDerWaalsContact CB-CG2 3.46Å; I137-V173 HydrophobicContact CG2-CG2 3.79Å; I169-V173 HydrophobicContact CG2-CG2 4.11Å; I169-V173 WeakPolarHBondContact O-CB 3.35Å; I169-V173 VanDerWaalsContact O-CG2 3.27Å; I169-V173 WeakPolarHBondContact O-CG2 3.45Å; I169-V173 PolarHBondContact O-N 2.92Å; E170-V173 PolarHBondContact O-N 3.46Å; S171-V173 VanDerWaalsContact C-N 3.32Å; S171-V173 PolarHBondContact O-N 2.85Å; V173-N175 PolarHBondContact O-N 2.84Å; V173-V177 HydrophobicContact CG2-CG2 4.5Å; V173-V177 PolarHBondContact O-N 2.75Å; V173-S178 WeakPolarHBondContact O-CB 3.36Å; V173-S178 PolarHBondContact O-N 3.15Å
174	R	94.6	Very high	95.1	Very high	58 Å²	58	21.2 Å²	21.2	22%	0.219	10%	0.103	C	C	.	.	H	α-helix	trans	-61	-44.4	-179.4	-179.7	177.5	54.9	-117.6	-0.2	112.8	E170 S171 S178 Q511	E170-R174 WeakPolarHBondContact O-CB 3.33Å; E170-R174 PolarHBondContact O-N 3.05Å; E170-R174 IonicContact OE1-NH1 3.21Å; E170-R174 PolarHBondContact OE1-NH1 3.15Å; S171-R174 PolarHBondContact O-N 3.05Å; R174-S178 WeakPolarHBondContact O-CB 3.29Å; R174-S178 PolarHBondContact O-OG 3.47Å; R174-Q511 VanDerWaalsContact CZ-OE1 3.27Å; R174-Q511 VanDerWaalsContact NE-OE1 3.09Å
175	N	95.3	Very high	95.2	Very high	14 Å²	14	21.3 Å²	21.3	8%	0.075	10%	0.103	C	C	.	.	H	α-helix	trans	-94.2	-35.8	-168.5	-60.9	-16.7	0	0	0	112.2	S171 V173 Q179 L509 Q511 T533 A537	S171-N175 WeakPolarHBondContact O-CB 2.74Å; S171-N175 VanDerWaalsContact O-CG 3.3Å; S171-N175 PolarHBondContact O-N 3.22Å; V173-N175 PolarHBondContact O-N 2.84Å; N175-Q179 WeakPolarHBondContact O-CG 3.27Å; N175-L509 PolarHBondContact ND2-O 2.92Å; N175-Q511 PolarHBondContact ND2-OE1 2.85Å; N175-T533 VanDerWaalsContact ND2-CG2 3.28Å; N175-T533 WeakPolarHBondContact ND2-CG2 3.48Å; N175-A537 HydrophobicContact CB-CB 4.2Å; N175-A537 VanDerWaalsContact O-CB 3.28Å; N175-A537 WeakPolarHBondContact O-CB 3.48Å
176	L	95.9	Very high	95.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-58.7	-174.8	-58.3	178.1	0	0	0	112	L151 T172 S178 Q179 V181 F183 L509 F510 L540 T541	L151-L176 HydrophobicContact CD2-CD1 4.21Å; T172-L176 HydrophobicContact CG2-CD1 4.45Å; T172-L176 WeakPolarHBondContact O-CA 3.24Å; T172-L176 WeakPolarHBondContact O-CB 2.98Å; T172-L176 PolarHBondContact O-N 3.28Å; L176-S178 VanDerWaalsContact C-N 3.32Å; L176-S178 PolarHBondContact O-N 3.38Å; L176-Q179 WeakPolarHBondContact O-CA 3.43Å; L176-Q179 WeakPolarHBondContact O-CB 3.41Å; L176-Q179 PolarHBondContact O-N 2.92Å; L176-V181 HydrophobicContact CB-CG2 4.33Å; L176-V181 WeakPolarHBondContact O-CG2 3.34Å; L176-F183 HydrophobicContact CD1-CD2 3.67Å; L176-F183 HydrophobicContact CD1-CE2 3.87Å; L176-L509 HydrophobicContact CD2-CD1 4.05Å; L176-F510 HydrophobicContact CD1-CE1 3.91Å; L176-F510 HydrophobicContact CD1-CZ 4.11Å; L176-L540 HydrophobicContact CD2-CD2 4.09Å; L176-T541 HydrophobicContact CD2-CG2 3.93Å
177	V	95.3	Very high	95.8	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-67	-34.4	-170.4	-175.6	0	0	0	0	112	A72 I137 P139 T172 V173 Q179 G180 V181 F183	A72-V177 HydrophobicContact CB-CG1 4.07Å; I137-V177 HydrophobicContact CB-CG2 4.23Å; I137-V177 HydrophobicContact CG2-CG2 3.77Å; P139-V177 HydrophobicContact CB-CG1 4.12Å; P139-V177 HydrophobicContact CG-CG1 3.66Å; T172-V177 HydrophobicContact CG2-CG2 4.35Å; T172-V177 PolarHBondContact O-N 2.89Å; T172-V177 VanDerWaalsContact O-N 3.08Å; V173-V177 HydrophobicContact CG2-CG2 4.5Å; V173-V177 PolarHBondContact O-N 2.75Å; V177-Q179 PolarHBondContact O-N 2.86Å; V177-Q179 VanDerWaalsContact O-N 3.1Å; V177-G180 PolarHBondContact O-N 2.97Å; V177-V181 WeakPolarHBondContact CA-O 3.47Å; V177-F183 HydrophobicContact CG2-CB 4.19Å
178	S	93	Very high	96	Very high	25 Å²	25	16.1 Å²	16.1	18%	0.175	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-56.7	-23.9	172.6	70.3	0	0	0	0	113.2	H144 V173 R174 L176 G180	H144-S178 PolarHBondContact NE2-O 2.67Å; V173-S178 WeakPolarHBondContact O-CB 3.36Å; V173-S178 PolarHBondContact O-N 3.15Å; R174-S178 WeakPolarHBondContact O-CB 3.29Å; R174-S178 PolarHBondContact O-OG 3.47Å; L176-S178 VanDerWaalsContact C-N 3.32Å; L176-S178 PolarHBondContact O-N 3.38Å; S178-G180 PolarHBondContact O-N 2.93Å
179	Q	92.2	Very high	96.2	Very high	44 Å²	44	14.3 Å²	14.3	21%	0.206	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-81.9	3.1	175.5	-54.7	-74.7	-11.6	0	0	112.2	N175 L176 V177 T541 K545	N175-Q179 WeakPolarHBondContact O-CG 3.27Å; L176-Q179 WeakPolarHBondContact O-CA 3.43Å; L176-Q179 WeakPolarHBondContact O-CB 3.41Å; L176-Q179 PolarHBondContact O-N 2.92Å; V177-Q179 PolarHBondContact O-N 2.86Å; V177-Q179 VanDerWaalsContact O-N 3.1Å; Q179-T541 HydrophobicContact CB-CG2 3.71Å; Q179-T541 HydrophobicContact CG-CG2 3.93Å; Q179-K545 WeakPolarHBondContact O-CE 3.21Å; Q179-K545 PolarHBondContact O-NZ 2.88Å
180	G	93.1	Very high	96.3	Very high	4 Å²	4	13 Å²	13	4%	0.041	6%	0.064	C	C	.	.	S	Bend	trans	77.2	40.4	178.6	0	0	0	0	0	113.4	H144 P149 V177 S178	H144-G180 WeakPolarHBondContact CD2-CA 3.33Å; H144-G180 PolarHBondContact CD2-N 2.98Å; H144-G180 PolarHBondContact NE2-N 2.83Å; P149-G180 WeakPolarHBondContact CD-O 3.02Å; V177-G180 PolarHBondContact O-N 2.97Å; S178-G180 PolarHBondContact O-N 2.93Å
181	V	95.6	Very high	96.3	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.			trans	-124.2	145.2	169.7	-49.5	0	0	0	0	109.3	P149 L176 V177 T541 V544 K545	P149-V181 HydrophobicContact CG-CG1 4.09Å; P149-V181 WeakPolarHBondContact O-CA 3.47Å; L176-V181 HydrophobicContact CB-CG2 4.33Å; L176-V181 WeakPolarHBondContact O-CG2 3.34Å; V177-V181 WeakPolarHBondContact CA-O 3.47Å; V181-T541 HydrophobicContact CG1-CG2 4.06Å; V181-T541 HydrophobicContact CG2-CG2 3.93Å; V181-V544 HydrophobicContact CB-CG1 4.44Å; V181-V544 HydrophobicContact CG1-CG1 4.13Å; V181-K545 HydrophobicContact CG1-CG 4.38Å
182	I	98.1	Very high	96.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133	169.1	-65.8	172.1	0	0	0	108.2	V136 V138 Y148 P149 V150 L151 V184 I223 F226	V136-I182 HydrophobicContact CG1-CG2 3.8Å; V138-I182 HydrophobicContact CG1-CD1 4.25Å; V138-I182 HydrophobicContact CG1-CG1 4.2Å; V138-I182 HydrophobicContact CG2-CD1 4.49Å; V138-I182 HydrophobicContact CG2-CG1 4.48Å; V138-I182 HydrophobicContact CG2-CG2 4.41Å; Y148-I182 HydrophobicContact CD2-CD1 4.31Å; Y148-I182 HydrophobicContact CD2-CG1 4.25Å; Y148-I182 HydrophobicContact CG-CG1 4.44Å; P149-I182 PolarHBondContact O-N 2.79Å; V150-I182 HydrophobicContact CG1-CB 4.43Å; V150-I182 HydrophobicContact CG1-CG2 4.41Å; V150-I182 HydrophobicContact CG2-CB 4.47Å; L151-I182 PolarHBondContact N-O 3.24Å; I182-V184 HydrophobicContact CG2-CG2 4.08Å; I182-I223 HydrophobicContact CD1-CG1 4.35Å; I182-I223 HydrophobicContact CG2-CD1 4.1Å; I182-F226 WeakPolarHBondContact CD1-O 3.24Å
183	F	98.6	Very high	96.4	Very high	1 Å²	1	8 Å²	8	0%	0.004	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.1	173.3	-177	-95.6	0	0	0	110	I137 L151 W153 F167 T172 L176 V177 F510	I137-F183 HydrophobicContact CB-CB 4.46Å; I137-F183 HydrophobicContact CD1-CD1 4.31Å; I137-F183 PolarHBondContact N-O 3.25Å; I137-F183 PolarHBondContact O-N 3.35Å; L151-F183 HydrophobicContact CD2-CD2 4.18Å; L151-F183 HydrophobicContact CG-CD2 4.41Å; W153-F183 HydrophobicContact CB-CE2 3.84Å; W153-F183 HydrophobicContact CB-CZ 3.78Å; W153-F183 HydrophobicContact CD2-CE2 4.18Å; W153-F183 HydrophobicContact CD2-CZ 4.43Å; W153-F183 AromaticContact CE3-CE2 3.75Å; W153-F183 HydrophobicContact CE3-CE2 3.75Å; W153-F183 HydrophobicContact CE3-CZ 4.42Å; W153-F183 HydrophobicContact CG-CE2 4.26Å; W153-F183 HydrophobicContact CG-CZ 4.2Å; F167-F183 HydrophobicContact CB-CE1 4Å; F167-F183 HydrophobicContact CB-CZ 4.05Å; F167-F183 HydrophobicContact CD1-CZ 4.16Å; F167-F183 HydrophobicContact CD2-CE1 4.08Å; F167-F183 AromaticContact CD2-CZ 3.89Å; F167-F183 HydrophobicContact CD2-CZ 3.89Å; F167-F183 HydrophobicContact CE2-CZ 4.48Å; F167-F183 HydrophobicContact CG-CE1 4.06Å; F167-F183 AromaticContact CG-CZ 3.72Å; F167-F183 HydrophobicContact CG-CZ 3.72Å; T172-F183 HydrophobicContact CG2-CB 3.85Å; T172-F183 HydrophobicContact CG2-CD1 3.51Å; T172-F183 HydrophobicContact CG2-CD2 4.08Å; T172-F183 HydrophobicContact CG2-CE1 4Å; T172-F183 HydrophobicContact CG2-CG 3.54Å; T172-F183 HydrophobicContact CG2-CZ 4.47Å; L176-F183 HydrophobicContact CD1-CD2 3.67Å; L176-F183 HydrophobicContact CD1-CE2 3.87Å; V177-F183 HydrophobicContact CG2-CB 4.19Å; F183-F510 HydrophobicContact CE2-CE1 4.08Å; F183-F510 AromaticContact CE2-CZ 3.95Å; F183-F510 HydrophobicContact CE2-CZ 3.95Å; F183-F510 HydrophobicContact CZ-CE1 4.02Å; F183-F510 HydrophobicContact CZ-CZ 4.03Å
184	V	98.9	Very high	96.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.6	173.9	-179.4	0	0	0	0	108.5	L134 N135 V136 V150 L151 V152 W153 I182 I186 V219 I223	L134-V184 HydrophobicContact CB-CG1 4.46Å; L134-V184 HydrophobicContact CD1-CG1 4.42Å; N135-V184 WeakPolarHBondContact O-CA 3.38Å; N135-V184 WeakPolarHBondContact O-CG1 3.44Å; V136-V184 HydrophobicContact CG1-CG2 4.34Å; V136-V184 HydrophobicContact CG2-CG2 4.32Å; V150-V184 HydrophobicContact CG1-CG2 3.88Å; L151-V184 PolarHBondContact O-N 3.42Å; V152-V184 CarbonylContact C-O 3.51Å; V152-V184 WeakPolarHBondContact CA-O 3.24Å; V152-V184 HydrophobicContact CB-CB 4.46Å; V152-V184 HydrophobicContact CG1-CB 4.41Å; V152-V184 HydrophobicContact CG1-CG1 4.29Å; V152-V184 HydrophobicContact CG2-CB 4.13Å; W153-V184 PolarHBondContact N-O 3.34Å; I182-V184 HydrophobicContact CG2-CG2 4.08Å; V184-I186 HydrophobicContact CG1-CG2 4.1Å; V184-V219 HydrophobicContact CG1-CG2 4.02Å; V184-I223 HydrophobicContact CG2-CD1 4.08Å
185	S	98.8	Very high	96.6	Very high	4 Å²	4	5.2 Å²	5.2	3%	0.028	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	139.6	170.1	62	0	0	0	0	110.3	L134 N135 A164	L134-S185 CarbonylContact C-O 3.47Å; L134-S185 VanDerWaalsContact CA-O 3.23Å; L134-S185 WeakPolarHBondContact CA-O 3.41Å; L134-S185 WeakPolarHBondContact CB-O 3.35Å; N135-S185 PolarHBondContact N-O 3.31Å; N135-S185 PolarHBondContact ND2-OG 3.47Å; N135-S185 PolarHBondContact O-N 2.95Å; N135-S185 VanDerWaalsContact O-N 3.11Å; A164-S185 WeakPolarHBondContact O-CB 3.28Å; A164-S185 PolarHBondContact O-OG 3.01Å
186	I	98.8	Very high	96.6	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.005	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.6	-173.3	70.1	170.2	0	0	0	111.5	L134 V152 W153 I154 H155 V184 Q212 A215	L134-I186 HydrophobicContact CB-CB 4.41Å; L134-I186 HydrophobicContact CB-CG2 3.86Å; L134-I186 HydrophobicContact CD2-CG2 4.47Å; V152-I186 HydrophobicContact CG1-CG2 4.05Å; W153-I186 PolarHBondContact O-N 3.46Å; I154-I186 HydrophobicContact CG1-CD1 4.05Å; I154-I186 HydrophobicContact CG1-CG1 4.4Å; H155-I186 PolarHBondContact CD2-O 3.03Å; V184-I186 HydrophobicContact CG1-CG2 4.1Å; I186-Q212 HydrophobicContact CD1-CB 4.07Å; I186-Q212 HydrophobicContact CD1-CG 4Å; I186-A215 HydrophobicContact CB-CB 4.18Å; I186-A215 HydrophobicContact CD1-CB 3.86Å; I186-A215 HydrophobicContact CG2-CB 3.9Å
187	N	98.4	Very high	96.5	Very high	5 Å²	5	4.7 Å²	4.7	3%	0.027	3%	0.027	C	C	.	.			trans	-86.4	155.7	162.2	-83.1	-19.6	0	0	0	109.7	F80 P110 C131 Y133 G163 A164	F80-N187 VanDerWaalsContact CZ-O 3.29Å; F80-N187 WeakPolarHBondContact CZ-O 3.39Å; P110-N187 PolarHBondContact O-ND2 3Å; P110-N187 VanDerWaalsContact O-ND2 3.14Å; C131-N187 WeakPolarHBondContact O-CB 3.38Å; C131-N187 PolarHBondContact O-ND2 3.44Å; Y133-N187 PolarHBondContact O-N 3.48Å; Y133-N187 VanDerWaalsContact O-N 3.12Å; G163-N187 VanDerWaalsContact CA-OD1 3.32Å; G163-N187 WeakPolarHBondContact CA-OD1 3.47Å; A164-N187 WeakPolarHBondContact CB-OD1 3.38Å; A164-N187 PolarHBondContact N-OD1 3.45Å
188	Y	98.7	Very high	96	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.029	C	C	.	.			trans	-147.6	155.5	166.2	59.5	-86.2	0	0	0	109.4	C112 I154 H155 Y159 L190 F195 G208 Q212	C112-Y188 VanDerWaalsContact SG-C 3.58Å; C112-Y188 PolarHBondContact SG-O 3.34Å; I154-Y188 HydrophobicContact CG2-CD1 4.24Å; I154-Y188 HydrophobicContact CG2-CE1 3.78Å; H155-Y188 AromaticContact CD2-CE1 3.65Å; H155-Y188 AromaticContact CE1-CE1 3.39Å; H155-Y188 WeakPolarHBondContact CE1-CE1 3.1Å; H155-Y188 AromaticContact CE1-CZ 3.63Å; H155-Y188 AromaticContact CG-CE1 4Å; H155-Y188 AromaticContact ND1-CE1 3.84Å; H155-Y188 AromaticContact NE2-CD1 3.56Å; H155-Y188 AromaticContact NE2-CE1 3.26Å; H155-Y188 VanDerWaalsContact NE2-CE1 3.26Å; H155-Y188 WeakPolarHBondContact NE2-CE1 3.47Å; H155-Y188 AromaticContact NE2-CZ 3.96Å; H155-Y188 PolarHBondContact O-OH 2.88Å; Y159-Y188 HydrophobicContact CD1-CE2 4.38Å; Y188-L190 HydrophobicContact CD2-CD2 3.95Å; Y188-L190 HydrophobicContact CE2-CD2 3.37Å; Y188-L190 HydrophobicContact CE2-CG 4.48Å; Y188-F195 HydrophobicContact CD2-CZ 4.46Å; Y188-F195 HydrophobicContact CE2-CE2 4.41Å; Y188-F195 HydrophobicContact CE2-CZ 4.34Å; Y188-G208 WeakPolarHBondContact CB-O 3.01Å; Y188-Q212 HydrophobicContact CD1-CG 3.98Å; Y188-Q212 HydrophobicContact CG-CG 3.89Å
189	R	98.6	Very high	95.1	Very high	3 Å²	3	9.1 Å²	9.1	1%	0.011	5%	0.048	C	C	.	.			trans	-63.2	141.9	178.4	-75.3	173.1	-76	-178.4	-6.6	111.5	P84 K91 L132 I193 G194 F195 D211	P84-R189 HydrophobicContact CG-CG 4.3Å; K91-R189 PolarHBondContact O-NH1 3.46Å; K91-R189 PolarHBondContact O-NH2 3.44Å; L132-R189 HydrophobicContact CD2-CG 4.31Å; R189-I193 HydrophobicContact CB-CG2 4.26Å; R189-I193 HydrophobicContact CG-CG2 4.04Å; R189-G194 WeakPolarHBondContact O-CA 3.36Å; R189-F195 WeakPolarHBondContact O-CE2 3.42Å; R189-D211 VanDerWaalsContact CB-OD2 3.26Å; R189-D211 WeakPolarHBondContact CB-OD2 3.48Å; R189-D211 VanDerWaalsContact CG-OD2 3.28Å; R189-D211 WeakPolarHBondContact CG-OD2 3.27Å; R189-D211 IonicContact CZ-OD1 3.6Å; R189-D211 IonicContact CZ-OD2 3.6Å; R189-D211 PolarHBondContact N-OD2 3.23Å; R189-D211 IonicContact NE-OD1 3.4Å; R189-D211 PolarHBondContact NE-OD1 2.85Å; R189-D211 IonicContact NE-OD2 2.67Å; R189-D211 PolarHBondContact NE-OD2 3.27Å; R189-D211 IonicContact NH2-OD1 3.66Å; R189-D211 PolarHBondContact NH2-OD1 3.24Å; R189-D211 IonicContact NH2-OD2 2.66Å
190	L	96.8	Very high	94	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	8%	0.075	C	C	.	.			trans	-119.6	163.6	-173.2	-63.1	164.7	0	0	0	111.6	C112 Q114 F115 Y159 Y188 I193 G194	C112-L190 HydrophobicContact CB-CD1 4.35Å; Q114-L190 VanDerWaalsContact NE2-CD1 3.26Å; F115-L190 WeakPolarHBondContact CE2-O 3.48Å; Y159-L190 CarbonylContact O-C 3.6Å; Y159-L190 WeakPolarHBondContact O-CA 3.24Å; Y159-L190 WeakPolarHBondContact O-CB 3.32Å; Y159-L190 WeakPolarHBondContact O-CD2 3.41Å; Y188-L190 HydrophobicContact CD2-CD2 3.95Å; Y188-L190 HydrophobicContact CE2-CD2 3.37Å; Y188-L190 HydrophobicContact CE2-CG 4.48Å; L190-I193 PolarHBondContact O-N 3.09Å; L190-G194 PolarHBondContact O-N 3.41Å
191	G	95.3	Very high	92.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	50.5	-140.9	177.3	0	0	0	0	0	113.4	Y159 I193 G194 F195	Y159-G191 PolarHBondContact O-N 3.1Å; G191-I193 PolarHBondContact O-N 3.03Å; G191-G194 PolarHBondContact O-N 3.1Å; G191-G194 VanDerWaalsContact O-N 3.07Å; G191-F195 PolarHBondContact O-N 3.47Å
192	P	95.9	Very high	92	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.6	-36.8	-179.5	21.7	-32	0	0	0	112.1	F90 F115 G194 F195 L196 L286 M312 F348	F90-P192 WeakPolarHBondContact CE1-O 3.35Å; F115-P192 HydrophobicContact CD1-CG 4.03Å; F115-P192 HydrophobicContact CE1-CG 3.51Å; F115-P192 HydrophobicContact CE2-CG 4.12Å; F115-P192 HydrophobicContact CZ-CG 3.57Å; P192-G194 PolarHBondContact O-N 2.61Å; P192-F195 PolarHBondContact O-N 3.49Å; P192-L196 HydrophobicContact CB-CB 4.4Å; P192-L196 WeakPolarHBondContact O-CB 3.22Å; P192-L196 PolarHBondContact O-N 3.03Å; P192-L286 HydrophobicContact CB-CD1 3.57Å; P192-L286 HydrophobicContact CG-CD1 4.04Å; P192-M312 HydrophobicContact CB-CG 4.38Å; P192-M312 HydrophobicContact CB-SD 4.03Å; P192-M312 HydrophobicContact CG-CG 3.75Å; P192-M312 HydrophobicContact CG-SD 3.74Å; P192-F348 HydrophobicContact CB-CD1 4.07Å; P192-F348 HydrophobicContact CB-CD2 4.09Å; P192-F348 HydrophobicContact CB-CE1 3.93Å; P192-F348 HydrophobicContact CB-CE2 3.98Å; P192-F348 HydrophobicContact CB-CG 4.15Å; P192-F348 HydrophobicContact CB-CZ 3.9Å; P192-F348 HydrophobicContact CG-CD2 4.32Å; P192-F348 HydrophobicContact CG-CE2 4.24Å
193	I	96.6	Very high	91.5	Very high	6 Å²	6	18.7 Å²	18.7	3%	0.031	9%	0.094	C	C	.	.	H	α-helix	trans	-63	-33	178.6	-62.1	173.8	0	0	0	111.7	I113 F115 E129 R189 L190 G191 M312	I113-I193 HydrophobicContact CB-CD1 3.83Å; I113-I193 HydrophobicContact CG1-CD1 3.87Å; I113-I193 HydrophobicContact CG2-CD1 3.99Å; F115-I193 HydrophobicContact CE2-CD1 4.19Å; F115-I193 HydrophobicContact CE2-CG1 4.31Å; F115-I193 HydrophobicContact CZ-CD1 3.83Å; F115-I193 HydrophobicContact CZ-CG1 3.98Å; E129-I193 HydrophobicContact CG-CD1 4.27Å; R189-I193 HydrophobicContact CB-CG2 4.26Å; R189-I193 HydrophobicContact CG-CG2 4.04Å; L190-I193 PolarHBondContact O-N 3.09Å; G191-I193 PolarHBondContact O-N 3.03Å; I193-M312 HydrophobicContact CD1-SD 4.13Å; I193-M312 HydrophobicContact CG1-SD 3.51Å; I193-M312 VanDerWaalsContact CG1-SD 3.51Å
194	G	97.8	Very high	91.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-89.9	-26.7	179.1	0	0	0	0	0	115.1	R189 L190 G191 P192 Y207 G208	R189-G194 WeakPolarHBondContact O-CA 3.36Å; L190-G194 PolarHBondContact O-N 3.41Å; G191-G194 PolarHBondContact O-N 3.1Å; G191-G194 VanDerWaalsContact O-N 3.07Å; P192-G194 PolarHBondContact O-N 2.61Å; G194-Y207 WeakPolarHBondContact O-CA 3.4Å; G194-Y207 WeakPolarHBondContact O-CB 3.42Å; G194-Y207 WeakPolarHBondContact O-CD2 3.42Å; G194-Y207 PolarHBondContact O-N 3.42Å; G194-G208 PolarHBondContact O-N 3.14Å
195	F	97.4	Very high	90.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-140.5	-0.5	-162.4	-62.6	-80.7	0	0	0	115.4	Y159 Y188 R189 G191 P192 S197 L209 T279 F348 P350	Y159-F195 HydrophobicContact CD1-CE1 4.11Å; Y159-F195 AromaticContact CD1-CE2 3.91Å; Y159-F195 HydrophobicContact CD1-CE2 3.91Å; Y159-F195 AromaticContact CD1-CZ 3.5Å; Y159-F195 HydrophobicContact CD1-CZ 3.5Å; Y159-F195 VanDerWaalsContact CD1-CZ 3.5Å; Y159-F195 HydrophobicContact CE1-CZ 4.23Å; Y159-F195 HydrophobicContact CG-CE2 4.18Å; Y159-F195 HydrophobicContact CG-CZ 4.14Å; Y188-F195 HydrophobicContact CD2-CZ 4.46Å; Y188-F195 HydrophobicContact CE2-CE2 4.41Å; Y188-F195 HydrophobicContact CE2-CZ 4.34Å; R189-F195 WeakPolarHBondContact O-CE2 3.42Å; G191-F195 PolarHBondContact O-N 3.47Å; P192-F195 PolarHBondContact O-N 3.49Å; F195-S197 PolarHBondContact O-N 3.21Å; F195-L209 HydrophobicContact CE1-CG 4.2Å; F195-T279 WeakPolarHBondContact O-CG2 3.49Å; F195-F348 HydrophobicContact CB-CB 3.95Å; F195-P350 HydrophobicContact CD1-CG 4.22Å; F195-P350 HydrophobicContact CE1-CG 3.8Å
196	L	95.5	Very high	90.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.			trans	-54.5	125.6	174.5	-177.4	158.4	0	0	0	110.6	F90 P192 L203 G205 Y207 L286 L304 F348	F90-L196 HydrophobicContact CE1-CB 4.21Å; F90-L196 HydrophobicContact CE1-CD1 4.35Å; F90-L196 HydrophobicContact CZ-CD1 4.47Å; P192-L196 HydrophobicContact CB-CB 4.4Å; P192-L196 WeakPolarHBondContact O-CB 3.22Å; P192-L196 PolarHBondContact O-N 3.03Å; L196-L203 HydrophobicContact CD2-CB 3.98Å; L196-L203 HydrophobicContact CD2-CD1 3.48Å; L196-L203 VanDerWaalsContact CD2-CD1 3.48Å; L196-L203 HydrophobicContact CD2-CD2 4.42Å; L196-L203 HydrophobicContact CD2-CG 4.15Å; L196-G205 VanDerWaalsContact O-CA 3.26Å; L196-G205 WeakPolarHBondContact O-CA 3.26Å; L196-G205 PolarHBondContact O-N 3.29Å; L196-Y207 VanDerWaalsContact O-CE2 3.32Å; L196-Y207 WeakPolarHBondContact O-CE2 3.47Å; L196-L286 HydrophobicContact CD1-CD1 4.32Å; L196-L286 HydrophobicContact CD1-CD2 3.79Å; L196-L304 HydrophobicContact CD1-CD1 4.22Å; L196-L304 HydrophobicContact CD2-CD1 4.26Å; L196-F348 HydrophobicContact CB-CD1 4.39Å; L196-F348 HydrophobicContact CB-CE1 4.39Å
197	S	92.9	Very high	90.8	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.1	-179.7	58.8	0	0	0	0	111.1	F195 L203 T279 D280 S283	F195-S197 PolarHBondContact O-N 3.21Å; S197-L203 CarbonylContact C-O 3.43Å; S197-L203 WeakPolarHBondContact CA-O 3.34Å; S197-T279 WeakPolarHBondContact OG-CG2 3.38Å; S197-D280 WeakPolarHBondContact CB-OD1 3.45Å; S197-D280 PolarHBondContact OG-OD1 3.33Å; S197-S283 PolarHBondContact N-OG 3.39Å; S197-S283 VanDerWaalsContact N-OG 3.12Å; S197-S283 WeakPolarHBondContact O-CB 3.19Å; S197-S283 PolarHBondContact O-OG 3.37Å
198	S	86	Confident	90.8	Very high	7 Å²	7	19.4 Å²	19.4	5%	0.049	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	104	168.6	169	0	0	0	0	107.9	R200 S201 G202 L203 Y294	S198-R200 PolarHBondContact O-N 3.18Å; S198-S201 PolarHBondContact O-N 3.42Å; S198-S201 VanDerWaalsContact O-N 3.08Å; S198-S201 VanDerWaalsContact OG-CB 3.29Å; S198-S201 WeakPolarHBondContact OG-CB 3.44Å; S198-S201 PolarHBondContact OG-N 3.17Å; S198-S201 PolarHBondContact OG-OG 3.38Å; S198-G202 PolarHBondContact O-N 3.08Å; S198-L203 CarbonylContact C-O 3.54Å; S198-L203 PolarHBondContact N-O 2.94Å; S198-L203 PolarHBondContact O-N 2.91Å; S198-Y294 WeakPolarHBondContact OG-CE1 3.29Å
199	I	72.7	Confident	90.8	Very high	112 Å²	112	19.4 Å²	19.4	57%	0.574	10%	0.098	S	C	*	.	G	3₁₀ helix	trans	-56.4	-36.5	175.4	-61.4	173.3	0	0	0	110.4	S201 Y355	I199-S201 PolarHBondContact O-N 3.05Å; I199-Y355 HydrophobicContact CD1-CE1 4.38Å; I199-Y355 HydrophobicContact CG1-CE1 4.12Å
200	R	70.4	Confident	90.8	Very high	207 Å²	207	19.8 Å²	19.8	78%	0.781	10%	0.1	S	C	*	.	G	3₁₀ helix	trans	-74.6	-9.1	-178.7	-69.5	-173.9	177.2	-172.7	-0.3	114.7	S198 Y294	S198-R200 PolarHBondContact O-N 3.18Å; R200-Y294 HydrophobicContact CB-CD1 4.32Å; R200-Y294 HydrophobicContact CB-CE1 4.49Å
201	S	66.6	Low	90.9	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.014	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-123.4	14.5	-174.9	-52.5	0	0	0	0	112.4	S198 I199 L203 Y294 D297	S198-S201 PolarHBondContact O-N 3.42Å; S198-S201 VanDerWaalsContact O-N 3.08Å; S198-S201 VanDerWaalsContact OG-CB 3.29Å; S198-S201 WeakPolarHBondContact OG-CB 3.44Å; S198-S201 PolarHBondContact OG-N 3.17Å; S198-S201 PolarHBondContact OG-OG 3.38Å; I199-S201 PolarHBondContact O-N 3.05Å; S201-L203 PolarHBondContact O-N 2.79Å; S201-Y294 WeakPolarHBondContact OG-CD1 3.39Å; S201-D297 WeakPolarHBondContact CA-OD1 3.4Å; S201-D297 PolarHBondContact N-OD1 3.43Å; S201-D297 VanDerWaalsContact O-CA 3.32Å; S201-D297 WeakPolarHBondContact O-CA 3.44Å
202	G	79.1	Confident	91	Very high	40 Å²	40	19.7 Å²	19.7	41%	0.412	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	26.5	-176.6	0	0	0	0	0	113	S198 P204 D297	S198-G202 PolarHBondContact O-N 3.08Å; G202-P204 WeakPolarHBondContact O-CD 3.47Å; G202-D297 PolarHBondContact N-OD1 3.5Å; G202-D297 VanDerWaalsContact N-OD1 3.17Å; G202-D297 PolarHBondContact N-OD2 3.25Å
203	L	88.5	Confident	91.2	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	89.6	178.9	-67.9	165.1	0	0	0	107.8	F90 L196 S197 S198 S201 G205 Y207 T300 L301 L304	F90-L203 HydrophobicContact CB-CD2 4Å; F90-L203 HydrophobicContact CG-CD2 4.39Å; L196-L203 HydrophobicContact CD2-CB 3.98Å; L196-L203 HydrophobicContact CD2-CD1 3.48Å; L196-L203 VanDerWaalsContact CD2-CD1 3.48Å; L196-L203 HydrophobicContact CD2-CD2 4.42Å; L196-L203 HydrophobicContact CD2-CG 4.15Å; S197-L203 CarbonylContact C-O 3.43Å; S197-L203 WeakPolarHBondContact CA-O 3.34Å; S198-L203 CarbonylContact C-O 3.54Å; S198-L203 PolarHBondContact N-O 2.94Å; S198-L203 PolarHBondContact O-N 2.91Å; S201-L203 PolarHBondContact O-N 2.79Å; L203-G205 PolarHBondContact O-N 2.95Å; L203-Y207 WeakPolarHBondContact CA-OH 3.19Å; L203-T300 HydrophobicContact CD1-CG2 4.39Å; L203-L301 HydrophobicContact CD2-CD1 3.9Å; L203-L304 HydrophobicContact CD1-CD1 3.52Å; L203-L304 HydrophobicContact CD2-CD1 4.42Å
204	P	89.9	Confident	91.3	Very high	23 Å²	23	20.4 Å²	20.4	15%	0.149	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-8.3	-168.1	29	-39.3	0	0	0	115.3	Y92 G202 Y207 Y355	Y92-P204 HydrophobicContact CE1-CG 4.31Å; Y92-P204 HydrophobicContact CE2-CG 3.84Å; Y92-P204 VanDerWaalsContact CZ-CG 3.48Å; Y92-P204 WeakPolarHBondContact OH-CB 3.4Å; Y92-P204 WeakPolarHBondContact OH-CG 3.35Å; G202-P204 WeakPolarHBondContact O-CD 3.47Å; P204-Y207 WeakPolarHBondContact CD-OH 3.43Å; P204-Y207 HydrophobicContact CG-CE1 4.33Å; P204-Y355 WeakPolarHBondContact CA-OH 3.28Å; P204-Y355 HydrophobicContact CB-CE2 4.3Å; P204-Y355 VanDerWaalsContact CB-OH 3.23Å; P204-Y355 WeakPolarHBondContact CB-OH 3.26Å; P204-Y355 PolarHBondContact O-OH 2.89Å; P204-Y355 VanDerWaalsContact O-OH 3.1Å
205	G	94.5	Very high	91.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.			trans	67.2	-165.9	-173.8	0	0	0	0	0	112.8	Y92 L196 L203 Y207	Y92-G205 WeakPolarHBondContact CE1-O 3.48Å; Y92-G205 PolarHBondContact OH-O 2.85Å; L196-G205 VanDerWaalsContact O-CA 3.26Å; L196-G205 WeakPolarHBondContact O-CA 3.26Å; L196-G205 PolarHBondContact O-N 3.29Å; L203-G205 PolarHBondContact O-N 2.95Å; G205-Y207 PolarHBondContact O-N 3.35Å; G205-Y207 VanDerWaalsContact O-N 3.1Å
206	N	97.4	Very high	91.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.			trans	55.3	23	-180	-64.2	-23.8	0	0	0	115.4	G208 L209 E210 P350 V351 D353 I361	N206-G208 VanDerWaalsContact C-N 3.29Å; N206-G208 PolarHBondContact O-N 3.42Å; N206-L209 HydrophobicContact CB-CB 4.4Å; N206-L209 HydrophobicContact CB-CD1 4.35Å; N206-L209 PolarHBondContact O-N 2.94Å; N206-L209 VanDerWaalsContact O-N 3.1Å; N206-E210 PolarHBondContact O-N 3.07Å; N206-P350 VanDerWaalsContact OD1-CA 3.26Å; N206-P350 WeakPolarHBondContact OD1-CA 3.47Å; N206-V351 PolarHBondContact ND2-O 3.27Å; N206-V351 PolarHBondContact OD1-N 2.81Å; N206-D353 PolarHBondContact ND2-OD2 3.28Å; N206-I361 HydrophobicContact CB-CD1 4.16Å
207	Y	98.1	Very high	91.5	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-58.7	-41.9	177.9	-48.8	-74.9	0	0	0	111.9	F90 Y92 G194 L196 L203 P204 G205 L209 E210 D211	F90-Y207 HydrophobicContact CB-CE1 4.48Å; F90-Y207 HydrophobicContact CB-CE2 4.45Å; F90-Y207 HydrophobicContact CD1-CD2 4.45Å; F90-Y207 AromaticContact CD1-CE2 3.92Å; F90-Y207 HydrophobicContact CD1-CE2 3.92Å; F90-Y207 WeakPolarHBondContact O-CE1 3.13Å; Y92-Y207 AromaticContact CD1-CD1 3.54Å; Y92-Y207 HydrophobicContact CD1-CD1 3.54Å; Y92-Y207 HydrophobicContact CD1-CE1 4.16Å; Y92-Y207 HydrophobicContact CD1-CG 4.48Å; Y92-Y207 AromaticContact CE1-CD1 3.47Å; Y92-Y207 HydrophobicContact CE1-CD1 3.47Å; Y92-Y207 VanDerWaalsContact CE1-CD1 3.47Å; Y92-Y207 AromaticContact CE1-CE1 3.87Å; Y92-Y207 HydrophobicContact CE1-CE1 3.87Å; Y92-Y207 HydrophobicContact CE1-CG 4.3Å; G194-Y207 WeakPolarHBondContact O-CA 3.4Å; G194-Y207 WeakPolarHBondContact O-CB 3.42Å; G194-Y207 WeakPolarHBondContact O-CD2 3.42Å; G194-Y207 PolarHBondContact O-N 3.42Å; L196-Y207 VanDerWaalsContact O-CE2 3.32Å; L196-Y207 WeakPolarHBondContact O-CE2 3.47Å; L203-Y207 WeakPolarHBondContact CA-OH 3.19Å; P204-Y207 WeakPolarHBondContact CD-OH 3.43Å; P204-Y207 HydrophobicContact CG-CE1 4.33Å; G205-Y207 PolarHBondContact O-N 3.35Å; G205-Y207 VanDerWaalsContact O-N 3.1Å; Y207-L209 VanDerWaalsContact C-N 3.3Å; Y207-L209 PolarHBondContact O-N 2.99Å; Y207-E210 PolarHBondContact O-N 3.27Å; Y207-D211 PolarHBondContact O-N 3.38Å
208	G	98.5	Very high	91.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-32.9	176.3	0	0	0	0	0	113.1	Y188 G194 N206 Q212	Y188-G208 WeakPolarHBondContact CB-O 3.01Å; G194-G208 PolarHBondContact O-N 3.14Å; N206-G208 VanDerWaalsContact C-N 3.29Å; N206-G208 PolarHBondContact O-N 3.42Å; G208-Q212 WeakPolarHBondContact O-CG 3.09Å; G208-Q212 PolarHBondContact O-N 3Å
209	L	98.7	Very high	92.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-73.4	-38.9	173.9	-69.4	178.4	0	0	0	111.8	F195 N206 Y207 D211 Q212 I213 I247 P350 I361 I362	F195-L209 HydrophobicContact CE1-CG 4.2Å; N206-L209 HydrophobicContact CB-CB 4.4Å; N206-L209 HydrophobicContact CB-CD1 4.35Å; N206-L209 PolarHBondContact O-N 2.94Å; N206-L209 VanDerWaalsContact O-N 3.1Å; Y207-L209 VanDerWaalsContact C-N 3.3Å; Y207-L209 PolarHBondContact O-N 2.99Å; L209-D211 VanDerWaalsContact C-N 3.28Å; L209-D211 PolarHBondContact O-N 3.01Å; L209-Q212 WeakPolarHBondContact O-CB 3.26Å; L209-Q212 PolarHBondContact O-N 3.46Å; L209-I213 WeakPolarHBondContact O-CG1 3.47Å; L209-I213 PolarHBondContact O-N 2.88Å; L209-I247 HydrophobicContact CD1-CD1 4.35Å; L209-I247 HydrophobicContact CD1-CG2 4.06Å; L209-P350 HydrophobicContact CD1-CB 3.87Å; L209-P350 HydrophobicContact CD1-CG 3.94Å; L209-P350 HydrophobicContact CG-CG 4.33Å; L209-I361 HydrophobicContact CB-CD1 3.59Å; L209-I361 HydrophobicContact CD1-CG2 4.16Å; L209-I362 HydrophobicContact CD1-CD1 3.97Å
210	E	98.2	Very high	93.5	Very high	11 Å²	11	23.5 Å²	23.5	5%	0.051	11%	0.112	C	C	.	.	H	α-helix	trans	-62.5	-37.4	172.9	-67.2	-71.3	-173.8	0	0	111.5	Y92 P93 N206 Y207 Q212 I213 V214 K253 R356 I361	Y92-E210 HydrophobicContact CD1-CB 3.99Å; Y92-E210 HydrophobicContact CD1-CG 3.5Å; Y92-E210 VanDerWaalsContact CD1-CG 3.5Å; Y92-E210 HydrophobicContact CE1-CB 4.48Å; Y92-E210 HydrophobicContact CE1-CG 3.63Å; Y92-E210 HydrophobicContact CG-CG 4.07Å; P93-E210 HydrophobicContact CG-CB 3.82Å; N206-E210 PolarHBondContact O-N 3.07Å; Y207-E210 PolarHBondContact O-N 3.27Å; E210-Q212 VanDerWaalsContact C-N 3.29Å; E210-Q212 PolarHBondContact O-N 2.91Å; E210-I213 PolarHBondContact O-N 2.96Å; E210-I213 VanDerWaalsContact O-N 3.14Å; E210-V214 PolarHBondContact O-N 3.39Å; E210-K253 IonicContact OE1-NZ 3.85Å; E210-K253 PolarHBondContact OE1-NZ 2.75Å; E210-K253 WeakPolarHBondContact OE2-CE 3.5Å; E210-K253 IonicContact OE2-NZ 2.88Å; E210-K253 PolarHBondContact OE2-NZ 3.27Å; E210-R356 IonicContact OE1-CZ 3.59Å; E210-R356 IonicContact OE1-NH1 3.86Å; E210-R356 PolarHBondContact OE1-NH1 3.39Å; E210-R356 VanDerWaalsContact OE1-NH1 3.09Å; E210-R356 IonicContact OE1-NH2 2.66Å; E210-R356 PolarHBondContact OE1-NH2 2.9Å; E210-I361 HydrophobicContact CG-CD1 3.8Å
211	D	98.8	Very high	94.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.4	-44.4	175.3	-62.3	-23.1	0	0	0	110.8	F80 L132 R189 Y207 L209 V214 A215	F80-D211 WeakPolarHBondContact CE2-O 3.48Å; L132-D211 HydrophobicContact CD2-CB 3.98Å; L132-D211 WeakPolarHBondContact CD2-OD2 3.37Å; R189-D211 VanDerWaalsContact CB-OD2 3.26Å; R189-D211 WeakPolarHBondContact CB-OD2 3.48Å; R189-D211 VanDerWaalsContact CG-OD2 3.28Å; R189-D211 WeakPolarHBondContact CG-OD2 3.27Å; R189-D211 IonicContact CZ-OD1 3.6Å; R189-D211 IonicContact CZ-OD2 3.6Å; R189-D211 PolarHBondContact N-OD2 3.23Å; R189-D211 IonicContact NE-OD1 3.4Å; R189-D211 PolarHBondContact NE-OD1 2.85Å; R189-D211 IonicContact NE-OD2 2.67Å; R189-D211 PolarHBondContact NE-OD2 3.27Å; R189-D211 IonicContact NH2-OD1 3.66Å; R189-D211 PolarHBondContact NH2-OD1 3.24Å; R189-D211 IonicContact NH2-OD2 2.66Å; Y207-D211 PolarHBondContact O-N 3.38Å; L209-D211 VanDerWaalsContact C-N 3.28Å; L209-D211 PolarHBondContact O-N 3.01Å; D211-V214 PolarHBondContact O-N 2.95Å; D211-A215 WeakPolarHBondContact O-CB 3.21Å; D211-A215 PolarHBondContact O-N 3.2Å
212	Q	98.8	Very high	96.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.6	-40.9	175.5	-62.2	170.6	21.3	0	0	111.8	I154 I186 Y188 G208 L209 E210 A215 L216 S244 L248	I154-Q212 HydrophobicContact CG2-CG 4.28Å; I186-Q212 HydrophobicContact CD1-CB 4.07Å; I186-Q212 HydrophobicContact CD1-CG 4Å; Y188-Q212 HydrophobicContact CD1-CG 3.98Å; Y188-Q212 HydrophobicContact CG-CG 3.89Å; G208-Q212 WeakPolarHBondContact O-CG 3.09Å; G208-Q212 PolarHBondContact O-N 3Å; L209-Q212 WeakPolarHBondContact O-CB 3.26Å; L209-Q212 PolarHBondContact O-N 3.46Å; E210-Q212 VanDerWaalsContact C-N 3.29Å; E210-Q212 PolarHBondContact O-N 2.91Å; Q212-A215 PolarHBondContact O-N 3.08Å; Q212-L216 VanDerWaalsContact O-CG 3.29Å; Q212-L216 WeakPolarHBondContact O-CG 3.38Å; Q212-L216 PolarHBondContact O-N 2.89Å; Q212-S244 PolarHBondContact NE2-OG 3.41Å; Q212-L248 HydrophobicContact CB-CD1 4.28Å
213	I	98.6	Very high	97.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63	-43.4	176.7	-67.2	170.9	0	0	0	111.1	L209 E210 L216 K217 L248 K253 T254 L257 I361	L209-I213 WeakPolarHBondContact O-CG1 3.47Å; L209-I213 PolarHBondContact O-N 2.88Å; E210-I213 PolarHBondContact O-N 2.96Å; E210-I213 VanDerWaalsContact O-N 3.14Å; I213-L216 PolarHBondContact O-N 3.23Å; I213-K217 HydrophobicContact CG2-CD 4.42Å; I213-K217 WeakPolarHBondContact O-CG 3.43Å; I213-K217 PolarHBondContact O-N 3.48Å; I213-L248 HydrophobicContact CD1-CD2 4.08Å; I213-L248 HydrophobicContact CG1-CD2 3.52Å; I213-K253 HydrophobicContact CD1-CD 4.3Å; I213-K253 HydrophobicContact CD1-CG 4.39Å; I213-T254 HydrophobicContact CD1-CG2 4Å; I213-T254 HydrophobicContact CG1-CG2 3.87Å; I213-L257 HydrophobicContact CG2-CD1 4.22Å; I213-I361 HydrophobicContact CD1-CD1 3.75Å; I213-I361 HydrophobicContact CD1-CG1 3.87Å; I213-I361 HydrophobicContact CD1-CG2 4.26Å
214	V	98.2	Very high	97.6	Very high	21 Å²	21	20.3 Å²	20.3	13%	0.127	10%	0.1	C	C	.	.	H	α-helix	trans	-67.6	-39.1	178	173.4	0	0	0	0	111.2	F80 P93 E210 D211 L216 K217 W218	F80-V214 HydrophobicContact CD2-CG1 4.13Å; F80-V214 WeakPolarHBondContact O-CG1 3.45Å; P93-V214 HydrophobicContact CB-CB 4.18Å; P93-V214 HydrophobicContact CB-CG1 4.43Å; P93-V214 HydrophobicContact CB-CG2 3.91Å; P93-V214 HydrophobicContact CG-CB 4.05Å; P93-V214 HydrophobicContact CG-CG2 3.47Å; P93-V214 VanDerWaalsContact CG-CG2 3.47Å; E210-V214 PolarHBondContact O-N 3.39Å; D211-V214 PolarHBondContact O-N 2.95Å; V214-L216 VanDerWaalsContact C-N 3.31Å; V214-L216 PolarHBondContact O-N 3.35Å; V214-K217 PolarHBondContact O-N 3.27Å; V214-W218 PolarHBondContact O-N 3.43Å
215	A	98.7	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-40.1	172.2	0	0	0	0	0	111.9	F80 I186 D211 Q212 W218 V219	F80-A215 HydrophobicContact CD1-CB 4.05Å; F80-A215 HydrophobicContact CD2-CB 3.87Å; F80-A215 HydrophobicContact CE1-CB 4.01Å; F80-A215 HydrophobicContact CE2-CB 3.86Å; F80-A215 HydrophobicContact CG-CB 3.98Å; F80-A215 HydrophobicContact CZ-CB 3.93Å; I186-A215 HydrophobicContact CB-CB 4.18Å; I186-A215 HydrophobicContact CD1-CB 3.86Å; I186-A215 HydrophobicContact CG2-CB 3.9Å; D211-A215 WeakPolarHBondContact O-CB 3.21Å; D211-A215 PolarHBondContact O-N 3.2Å; Q212-A215 PolarHBondContact O-N 3.08Å; A215-W218 WeakPolarHBondContact O-CB 3.32Å; A215-W218 PolarHBondContact O-N 3.18Å; A215-V219 WeakPolarHBondContact O-CG2 3.01Å; A215-V219 PolarHBondContact O-N 2.62Å
216	L	98.7	Very high	98.1	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-67.9	-37.4	175.8	-70.4	172.1	0	0	0	112.9	V152 Q212 I213 V214 V219 K220 I235 L248 L257 F258	V152-L216 HydrophobicContact CB-CD2 4.16Å; V152-L216 HydrophobicContact CG1-CD2 3.89Å; V152-L216 HydrophobicContact CG2-CD2 4.22Å; Q212-L216 VanDerWaalsContact O-CG 3.29Å; Q212-L216 WeakPolarHBondContact O-CG 3.38Å; Q212-L216 PolarHBondContact O-N 2.89Å; I213-L216 PolarHBondContact O-N 3.23Å; V214-L216 VanDerWaalsContact C-N 3.31Å; V214-L216 PolarHBondContact O-N 3.35Å; L216-V219 PolarHBondContact O-N 2.88Å; L216-K220 PolarHBondContact O-N 3.14Å; L216-I235 HydrophobicContact CD1-CG2 4.18Å; L216-I235 HydrophobicContact CD2-CG2 3.46Å; L216-I235 VanDerWaalsContact CD2-CG2 3.46Å; L216-I235 HydrophobicContact CG-CG2 4.48Å; L216-L248 HydrophobicContact CD1-CD1 3.96Å; L216-L257 HydrophobicContact CB-CD1 4.36Å; L216-F258 HydrophobicContact CD1-CD1 4.08Å; L216-F258 HydrophobicContact CD1-CE1 4.08Å
217	K	97.9	Very high	98	Very high	92 Å²	92	25.8 Å²	25.8	40%	0.4	12%	0.121	S	C	.	.	H	α-helix	trans	-61.3	-46.4	170.5	-72.6	175.1	178.3	179.1	0	110.4	I213 V214 V219 K220 D221 L257	I213-K217 HydrophobicContact CG2-CD 4.42Å; I213-K217 WeakPolarHBondContact O-CG 3.43Å; I213-K217 PolarHBondContact O-N 3.48Å; V214-K217 PolarHBondContact O-N 3.27Å; K217-V219 VanDerWaalsContact C-N 3.3Å; K217-V219 PolarHBondContact O-N 3.48Å; K217-K220 WeakPolarHBondContact O-CB 3.09Å; K217-K220 PolarHBondContact O-N 3.32Å; K217-K220 VanDerWaalsContact O-N 3.16Å; K217-D221 WeakPolarHBondContact O-CB 3.33Å; K217-D221 PolarHBondContact O-N 3.42Å; K217-L257 HydrophobicContact CG-CD1 4.38Å; K217-L257 HydrophobicContact CG-CD2 4.05Å
218	W	98.1	Very high	98	Very high	11 Å²	11	25.7 Å²	25.7	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-55.8	-44.6	175	-174	102.4	0	0	0	111.7	T55 I78 F80 L134 V136 V214 A215 D221 N222 F226	T55-W218 HydrophobicContact CG2-CZ2 4.03Å; I78-W218 HydrophobicContact CB-CZ2 4.46Å; I78-W218 HydrophobicContact CD1-CH2 4.01Å; I78-W218 HydrophobicContact CD1-CZ2 4.31Å; I78-W218 HydrophobicContact CG2-CH2 4.32Å; I78-W218 HydrophobicContact CG2-CZ2 3.62Å; F80-W218 HydrophobicContact CB-CB 3.9Å; F80-W218 HydrophobicContact CB-CG 3.82Å; L134-W218 HydrophobicContact CD1-CE3 4.03Å; L134-W218 HydrophobicContact CD1-CH2 4.04Å; L134-W218 HydrophobicContact CD1-CZ3 3.71Å; L134-W218 HydrophobicContact CD2-CD2 3.85Å; L134-W218 HydrophobicContact CD2-CE3 3.49Å; L134-W218 VanDerWaalsContact CD2-CE3 3.49Å; L134-W218 HydrophobicContact CD2-CG 4.28Å; L134-W218 HydrophobicContact CD2-CZ3 4.06Å; L134-W218 HydrophobicContact CG-CE3 4.36Å; V136-W218 HydrophobicContact CG2-CH2 4.27Å; V136-W218 HydrophobicContact CG2-CZ3 4.13Å; V214-W218 PolarHBondContact O-N 3.43Å; A215-W218 WeakPolarHBondContact O-CB 3.32Å; A215-W218 PolarHBondContact O-N 3.18Å; W218-D221 PolarHBondContact O-N 3.04Å; W218-N222 HydrophobicContact CD2-CB 4.08Å; W218-N222 HydrophobicContact CE3-CB 4.12Å; W218-N222 HydrophobicContact CH2-CB 3.83Å; W218-N222 HydrophobicContact CZ2-CB 3.77Å; W218-N222 HydrophobicContact CZ3-CB 4Å; W218-N222 VanDerWaalsContact O-CB 3.3Å; W218-N222 WeakPolarHBondContact O-CB 3.34Å; W218-N222 PolarHBondContact O-N 3.5Å; W218-N222 PolarHBondContact O-ND2 3.46Å; W218-F226 HydrophobicContact CH2-CD2 4.44Å; W218-F226 AromaticContact CH2-CE2 3.65Å; W218-F226 HydrophobicContact CH2-CE2 3.65Å; W218-F226 HydrophobicContact CH2-CZ 4.1Å; W218-F226 HydrophobicContact CZ2-CE2 4.36Å
219	V	98.6	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-51.1	176.4	170.5	0	0	0	0	110.5	V150 V152 V184 A215 L216 K217 D221 N222 I223 V233	V150-V219 HydrophobicContact CG1-CG1 4.15Å; V152-V219 HydrophobicContact CG2-CB 4.48Å; V152-V219 HydrophobicContact CG2-CG1 3.97Å; V152-V219 HydrophobicContact CG2-CG2 4.07Å; V184-V219 HydrophobicContact CG1-CG2 4.02Å; A215-V219 WeakPolarHBondContact O-CG2 3.01Å; A215-V219 PolarHBondContact O-N 2.62Å; L216-V219 PolarHBondContact O-N 2.88Å; K217-V219 VanDerWaalsContact C-N 3.3Å; K217-V219 PolarHBondContact O-N 3.48Å; V219-D221 PolarHBondContact O-N 3.23Å; V219-N222 PolarHBondContact O-N 2.89Å; V219-I223 HydrophobicContact CG1-CB 4.05Å; V219-I223 HydrophobicContact CG1-CG1 4.32Å; V219-I223 HydrophobicContact CG1-CG2 4.3Å; V219-I223 WeakPolarHBondContact O-CB 3.39Å; V219-I223 WeakPolarHBondContact O-CG2 3.39Å; V219-I223 PolarHBondContact O-N 3.03Å; V219-V233 HydrophobicContact CG1-CG1 4.37Å; V219-V233 HydrophobicContact CG1-CG2 4.07Å
220	K	97.5	Very high	97.9	Very high	82 Å²	82	28.3 Å²	28.3	36%	0.357	14%	0.137	S	C	.	.	H	α-helix	trans	-54.6	-38.4	178.6	-179.7	173.7	179	173.9	0	112.5	L216 K217 P230 N256 L257	L216-K220 PolarHBondContact O-N 3.14Å; K217-K220 WeakPolarHBondContact O-CB 3.09Å; K217-K220 PolarHBondContact O-N 3.32Å; K217-K220 VanDerWaalsContact O-N 3.16Å; K220-P230 WeakPolarHBondContact O-CB 3.46Å; K220-N256 PolarHBondContact NZ-O 3.24Å; K220-L257 HydrophobicContact CD-CD2 3.91Å
221	D	96.9	Very high	97.9	Very high	79 Å²	79	34.5 Å²	34.5	42%	0.422	17%	0.17	S	C	.	.	H	α-helix	trans	-82.1	-31.9	-173.7	-80.9	1.5	0	0	0	113.2	M56 K217 W218 V219	M56-D221 HydrophobicContact CE-CB 3.29Å; K217-D221 WeakPolarHBondContact O-CB 3.33Å; K217-D221 PolarHBondContact O-N 3.42Å; W218-D221 PolarHBondContact O-N 3.04Å; V219-D221 PolarHBondContact O-N 3.23Å
222	N	98.2	Very high	97.8	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-117.8	-20	-169.2	-65.5	-84.2	0	0	0	114.7	T55 M56 W218 V219 I224 Y225 F226	T55-N222 WeakPolarHBondContact CB-OD1 3.5Å; M56-N222 PolarHBondContact N-OD1 2.93Å; W218-N222 HydrophobicContact CD2-CB 4.08Å; W218-N222 HydrophobicContact CE3-CB 4.12Å; W218-N222 HydrophobicContact CH2-CB 3.83Å; W218-N222 HydrophobicContact CZ2-CB 3.77Å; W218-N222 HydrophobicContact CZ3-CB 4Å; W218-N222 VanDerWaalsContact O-CB 3.3Å; W218-N222 WeakPolarHBondContact O-CB 3.34Å; W218-N222 PolarHBondContact O-N 3.5Å; W218-N222 PolarHBondContact O-ND2 3.46Å; V219-N222 PolarHBondContact O-N 2.89Å; N222-I224 PolarHBondContact O-N 2.66Å; N222-Y225 HydrophobicContact CB-CD2 4.49Å; N222-Y225 WeakPolarHBondContact O-CB 3.31Å; N222-Y225 WeakPolarHBondContact O-CD2 3.35Å; N222-Y225 PolarHBondContact O-N 3.13Å; N222-F226 WeakPolarHBondContact O-CD2 3.31Å
223	I	98.2	Very high	97.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-64.4	-21.6	-170.5	-153.2	64.4	0	0	0	113.1	V136 V150 I182 V184 V219 Y225 F226 G228 P230	V136-I223 HydrophobicContact CG1-CD1 4Å; V150-I223 HydrophobicContact CB-CG1 4.49Å; V150-I223 HydrophobicContact CG1-CD1 4.31Å; V150-I223 HydrophobicContact CG1-CG1 4.03Å; V150-I223 HydrophobicContact CG2-CG1 3.62Å; V150-I223 HydrophobicContact CG2-CG2 4.15Å; I182-I223 HydrophobicContact CD1-CG1 4.35Å; I182-I223 HydrophobicContact CG2-CD1 4.1Å; V184-I223 HydrophobicContact CG2-CD1 4.08Å; V219-I223 HydrophobicContact CG1-CB 4.05Å; V219-I223 HydrophobicContact CG1-CG1 4.32Å; V219-I223 HydrophobicContact CG1-CG2 4.3Å; V219-I223 WeakPolarHBondContact O-CB 3.39Å; V219-I223 WeakPolarHBondContact O-CG2 3.39Å; V219-I223 PolarHBondContact O-N 3.03Å; I223-Y225 PolarHBondContact O-N 3.26Å; I223-F226 HydrophobicContact CD1-CB 4.25Å; I223-F226 CarbonylContact O-C 3.22Å; I223-F226 WeakPolarHBondContact O-CA 3.27Å; I223-F226 PolarHBondContact O-N 2.9Å; I223-G228 WeakPolarHBondContact O-CA 3.38Å; I223-G228 PolarHBondContact O-N 2.98Å; I223-P230 HydrophobicContact CG2-CB 4.06Å
224	I	97.6	Very high	97.8	Very high	100 Å²	100	37.9 Å²	37.9	51%	0.513	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-59.3	-32.4	172.9	-165.5	166.8	0	0	0	112.9	N222 F226 D227 G228	N222-I224 PolarHBondContact O-N 2.66Å; I224-F226 PolarHBondContact O-N 3.14Å; I224-D227 PolarHBondContact O-N 3.28Å; I224-G228 WeakPolarHBondContact CA-O 3.47Å
225	Y	97.2	Very high	97.9	Very high	102 Å²	102	36.9 Å²	36.9	40%	0.4	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-76.7	-11.6	176.7	-56.5	-69.8	0	0	0	113.2	R53 H54 M56 N222 I223	R53-Y225 WeakPolarHBondContact CD-O 3.41Å; H54-Y225 HydrophobicContact CB-CD1 4.48Å; H54-Y225 WeakPolarHBondContact O-CB 3.33Å; M56-Y225 HydrophobicContact CG-CE2 3.87Å; N222-Y225 HydrophobicContact CB-CD2 4.49Å; N222-Y225 WeakPolarHBondContact O-CB 3.31Å; N222-Y225 WeakPolarHBondContact O-CD2 3.35Å; N222-Y225 PolarHBondContact O-N 3.13Å; I223-Y225 PolarHBondContact O-N 3.26Å
226	F	96.8	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-103.8	24.6	174.3	-63.3	-92.2	0	0	0	111.4	R53 T55 V60 Y75 I78 V136 V138 I182 W218 N222 I223 I224 G228	R53-F226 HydrophobicContact CB-CD1 4.2Å; R53-F226 HydrophobicContact CB-CE1 3.88Å; R53-F226 HydrophobicContact CB-CZ 4.3Å; R53-F226 HydrophobicContact CG-CD1 4.1Å; R53-F226 HydrophobicContact CG-CE1 4.17Å; T55-F226 HydrophobicContact CG2-CE2 3.88Å; T55-F226 HydrophobicContact CG2-CZ 3.88Å; V60-F226 HydrophobicContact CG2-CE1 4.11Å; V60-F226 HydrophobicContact CG2-CZ 3.91Å; Y75-F226 HydrophobicContact CD1-CE1 4.13Å; Y75-F226 AromaticContact CD2-CD1 3.8Å; Y75-F226 HydrophobicContact CD2-CD1 3.8Å; Y75-F226 AromaticContact CD2-CE1 3.61Å; Y75-F226 HydrophobicContact CD2-CE1 3.61Å; Y75-F226 HydrophobicContact CE1-CE1 4.39Å; Y75-F226 AromaticContact CE2-CD1 3.86Å; Y75-F226 HydrophobicContact CE2-CD1 3.86Å; Y75-F226 AromaticContact CE2-CE1 3.89Å; Y75-F226 HydrophobicContact CE2-CE1 3.89Å; Y75-F226 HydrophobicContact CG-CD1 4.42Å; Y75-F226 AromaticContact CG-CE1 3.77Å; Y75-F226 HydrophobicContact CG-CE1 3.77Å; I78-F226 HydrophobicContact CD1-CE1 4.18Å; I78-F226 HydrophobicContact CD1-CZ 3.79Å; V136-F226 HydrophobicContact CB-CD1 4.47Å; V136-F226 HydrophobicContact CG1-CB 4.3Å; V136-F226 HydrophobicContact CG1-CD1 4.01Å; V136-F226 HydrophobicContact CG1-CG 4.13Å; V138-F226 VanDerWaalsContact CG1-O 3.26Å; V138-F226 WeakPolarHBondContact CG1-O 3.38Å; V138-F226 HydrophobicContact CG2-CB 3.94Å; V138-F226 HydrophobicContact CG2-CD1 4.19Å; I182-F226 WeakPolarHBondContact CD1-O 3.24Å; W218-F226 HydrophobicContact CH2-CD2 4.44Å; W218-F226 AromaticContact CH2-CE2 3.65Å; W218-F226 HydrophobicContact CH2-CE2 3.65Å; W218-F226 HydrophobicContact CH2-CZ 4.1Å; W218-F226 HydrophobicContact CZ2-CE2 4.36Å; N222-F226 WeakPolarHBondContact O-CD2 3.31Å; I223-F226 HydrophobicContact CD1-CB 4.25Å; I223-F226 CarbonylContact O-C 3.22Å; I223-F226 WeakPolarHBondContact O-CA 3.27Å; I223-F226 PolarHBondContact O-N 2.9Å; I224-F226 PolarHBondContact O-N 3.14Å; F226-G228 PolarHBondContact O-N 2.93Å
227	D	96.3	Very high	97.9	Very high	36 Å²	36	36.9 Å²	36.9	19%	0.193	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	16.8	-175.8	-59.2	-52.7	0	0	0	114.7	R53 K146 P147 Y148 I224	R53-D227 IonicContact CZ-OD2 3.23Å; R53-D227 VanDerWaalsContact CZ-OD2 3.3Å; R53-D227 VanDerWaalsContact NH1-CG 3.31Å; R53-D227 IonicContact NH1-OD1 2.81Å; R53-D227 IonicContact NH1-OD2 2.88Å; R53-D227 PolarHBondContact NH1-OD2 2.95Å; R53-D227 IonicContact NH2-OD2 2.77Å; R53-D227 PolarHBondContact NH2-OD2 3.46Å; K146-D227 HydrophobicContact CD-CB 3.84Å; K146-D227 WeakPolarHBondContact CE-OD2 3.29Å; K146-D227 HydrophobicContact CG-CB 4.24Å; K146-D227 IonicContact NZ-OD1 3.69Å; K146-D227 PolarHBondContact NZ-OD1 3Å; K146-D227 IonicContact NZ-OD2 3.73Å; K146-D227 PolarHBondContact NZ-OD2 3.23Å; P147-D227 CarbonylContact C-O 3.5Å; P147-D227 VanDerWaalsContact CA-O 3.26Å; P147-D227 WeakPolarHBondContact CA-O 3.5Å; Y148-D227 HydrophobicContact CD2-CB 4.07Å; Y148-D227 HydrophobicContact CE2-CB 4.16Å; Y148-D227 PolarHBondContact N-O 2.6Å; I224-D227 PolarHBondContact O-N 3.28Å
228	G	97.5	Very high	97.9	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	154	178.4	0	0	0	0	0	113.8	Y148 I223 I224 F226 P230	Y148-G228 CarbonylContact O-C 3.57Å; Y148-G228 WeakPolarHBondContact O-CA 3.47Å; I223-G228 WeakPolarHBondContact O-CA 3.38Å; I223-G228 PolarHBondContact O-N 2.98Å; I224-G228 WeakPolarHBondContact CA-O 3.47Å; F226-G228 PolarHBondContact O-N 2.93Å; G228-P230 WeakPolarHBondContact O-CD 3.42Å
229	D	97.5	Very high	97.8	Very high	18 Å²	18	32.8 Å²	32.8	10%	0.096	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	107.6	176.8	-171.1	-23.7	0	0	0	109.7	P147 Y148 L231 K232	P147-D229 HydrophobicContact CB-CB 3.84Å; P147-D229 HydrophobicContact CG-CB 3.8Å; Y148-D229 PolarHBondContact O-N 2.78Å; D229-L231 PolarHBondContact O-N 3.25Å; D229-L231 VanDerWaalsContact O-N 3.11Å; D229-L231 WeakPolarHBondContact OD1-CB 3.38Å; D229-L231 PolarHBondContact OD1-N 3.09Å; D229-K232 HydrophobicContact CB-CB 4.03Å; D229-K232 HydrophobicContact CB-CD 4.22Å; D229-K232 HydrophobicContact CB-CG 4.13Å; D229-K232 PolarHBondContact O-N 2.74Å; D229-K232 VanDerWaalsContact OD2-CD 3.25Å; D229-K232 WeakPolarHBondContact OD2-CD 3.37Å; D229-K232 WeakPolarHBondContact OD2-CE 3.16Å; D229-K232 WeakPolarHBondContact OD2-CG 3.5Å; D229-K232 IonicContact OD2-NZ 2.91Å; D229-K232 PolarHBondContact OD2-NZ 3.41Å
230	P	97.9	Very high	97.7	Very high	36 Å²	36	32.8 Å²	32.8	23%	0.234	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	-14.1	-178.9	28.2	-35.4	0	0	0	113	K220 I223 G228	K220-P230 WeakPolarHBondContact O-CB 3.46Å; I223-P230 HydrophobicContact CG2-CB 4.06Å; G228-P230 WeakPolarHBondContact O-CD 3.42Å
231	L	97.7	Very high	97.8	Very high	142 Å²	142	28.9 Å²	28.9	74%	0.743	15%	0.145	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	-10.4	174.1	-57.2	178.3	0	0	0	112.7	D229 R259	D229-L231 PolarHBondContact O-N 3.25Å; D229-L231 VanDerWaalsContact O-N 3.11Å; D229-L231 WeakPolarHBondContact OD1-CB 3.38Å; D229-L231 PolarHBondContact OD1-N 3.09Å; L231-R259 WeakPolarHBondContact O-CD 3.42Å
232	K	97.5	Very high	97.9	Very high	70 Å²	70	25.1 Å²	25.1	30%	0.304	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	43.7	179.7	-57.6	-177.7	-172.8	127.3	0	112.6	P149 V150 D229	P149-K232 HydrophobicContact CB-CB 3.91Å; P149-K232 HydrophobicContact CB-CD 4.4Å; V150-K232 PolarHBondContact N-O 2.78Å; D229-K232 HydrophobicContact CB-CB 4.03Å; D229-K232 HydrophobicContact CB-CD 4.22Å; D229-K232 HydrophobicContact CB-CG 4.13Å; D229-K232 PolarHBondContact O-N 2.74Å; D229-K232 VanDerWaalsContact OD2-CD 3.25Å; D229-K232 WeakPolarHBondContact OD2-CD 3.37Å; D229-K232 WeakPolarHBondContact OD2-CE 3.16Å; D229-K232 WeakPolarHBondContact OD2-CG 3.5Å; D229-K232 IonicContact OD2-NZ 2.91Å; D229-K232 PolarHBondContact OD2-NZ 3.41Å
233	V	98.7	Very high	97.9	Very high	1 Å²	1	25 Å²	25	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	127	172.9	-177.9	0	0	0	0	110.4	V150 V152 V219 F258 R259	V150-V233 HydrophobicContact CB-CG2 4.18Å; V150-V233 HydrophobicContact CG2-CG2 4.44Å; V152-V233 HydrophobicContact CG2-CG1 3.79Å; V219-V233 HydrophobicContact CG1-CG1 4.37Å; V219-V233 HydrophobicContact CG1-CG2 4.07Å; V233-F258 HydrophobicContact CB-CB 4.13Å; V233-F258 HydrophobicContact CG1-CB 3.94Å; V233-F258 WeakPolarHBondContact O-CB 3.48Å; V233-R259 WeakPolarHBondContact O-CG 3.5Å; V233-R259 PolarHBondContact O-N 3.33Å
234	T	98.9	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.7	170.2	-58.7	0	0	0	0	108.3	V150 L151 V152 Y260 V262 F543 V544	V150-T234 PolarHBondContact O-N 3Å; L151-T234 WeakPolarHBondContact CA-O 3.32Å; L151-T234 HydrophobicContact CD1-CG2 4.43Å; V152-T234 PolarHBondContact N-O 3.35Å; T234-Y260 WeakPolarHBondContact CA-O 3.39Å; T234-V262 HydrophobicContact CG2-CG2 3.89Å; T234-F543 HydrophobicContact CG2-CD1 4.49Å; T234-F543 HydrophobicContact CG2-CE1 4.44Å; T234-V544 HydrophobicContact CG2-CG2 4.03Å
235	I	98.9	Very high	98	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	138.5	172.1	60	169.6	0	0	0	109.7	V152 L216 V245 L248 F258 Y260 A261 V262	V152-I235 HydrophobicContact CB-CG2 4.32Å; V152-I235 CarbonylContact O-C 3.48Å; V152-I235 WeakPolarHBondContact O-CA 3.21Å; L216-I235 HydrophobicContact CD1-CG2 4.18Å; L216-I235 HydrophobicContact CD2-CG2 3.46Å; L216-I235 VanDerWaalsContact CD2-CG2 3.46Å; L216-I235 HydrophobicContact CG-CG2 4.48Å; I235-V245 HydrophobicContact CB-CG2 4.22Å; I235-V245 HydrophobicContact CD1-CB 4.13Å; I235-V245 HydrophobicContact CD1-CG1 3.8Å; I235-V245 HydrophobicContact CD1-CG2 4.03Å; I235-V245 HydrophobicContact CG1-CB 4.47Å; I235-V245 HydrophobicContact CG1-CG1 3.84Å; I235-V245 HydrophobicContact CG1-CG2 4.12Å; I235-L248 HydrophobicContact CD1-CB 4.02Å; I235-L248 HydrophobicContact CD1-CD1 4.42Å; I235-F258 HydrophobicContact CD1-CD1 4.07Å; I235-F258 HydrophobicContact CD1-CD2 3.84Å; I235-F258 HydrophobicContact CD1-CE1 3.69Å; I235-F258 HydrophobicContact CD1-CE2 3.41Å; I235-F258 VanDerWaalsContact CD1-CE2 3.41Å; I235-F258 HydrophobicContact CD1-CG 4.15Å; I235-F258 HydrophobicContact CD1-CZ 3.34Å; I235-F258 HydrophobicContact CG1-CD1 4.43Å; I235-F258 HydrophobicContact CG1-CD2 3.75Å; I235-F258 HydrophobicContact CG1-CE1 4.5Å; I235-F258 HydrophobicContact CG1-CE2 3.8Å; I235-F258 HydrophobicContact CG1-CG 4.08Å; I235-F258 HydrophobicContact CG1-CZ 4.2Å; I235-F258 HydrophobicContact CG2-CB 4.07Å; I235-F258 HydrophobicContact CG2-CD1 3.89Å; I235-F258 HydrophobicContact CG2-CD2 4.4Å; I235-F258 HydrophobicContact CG2-CE1 4.48Å; I235-F258 HydrophobicContact CG2-CG 3.86Å; I235-Y260 PolarHBondContact N-O 3.48Å; I235-Y260 VanDerWaalsContact N-O 3.11Å; I235-A261 HydrophobicContact CG1-CB 4.36Å; I235-A261 CarbonylContact O-C 3.53Å; I235-A261 WeakPolarHBondContact O-CA 3.34Å; I235-V262 PolarHBondContact O-N 2.89Å
236	C	98.9	Very high	98	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.8	178.5	-179.2	0	0	0	0	109.4	L151 V152 W153 I154 V262	L151-C236 HydrophobicContact CD1-CB 3.43Å; L151-C236 VanDerWaalsContact CD1-CB 3.43Å; V152-C236 PolarHBondContact O-N 3.17Å; W153-C236 CarbonylContact C-O 3.6Å; W153-C236 VanDerWaalsContact CA-O 3.31Å; W153-C236 WeakPolarHBondContact CA-O 3.18Å; W153-C236 HydrophobicContact CD2-CB 4.49Å; W153-C236 HydrophobicContact CE3-CB 4.1Å; W153-C236 HydrophobicContact CZ3-CB 4.44Å; W153-C236 VanDerWaalsContact CZ3-SG 3.55Å; I154-C236 PolarHBondContact N-O 3.27Å; C236-V262 WeakPolarHBondContact CA-O 3.26Å; C236-V262 HydrophobicContact CB-CB 3.88Å; C236-V262 HydrophobicContact CB-CG2 4.47Å
237	G	98.6	Very high	98.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	164.1	176	0	0	0	0	0	111.4	I154 A242 V262 R264	I154-G237 WeakPolarHBondContact O-CA 3.33Å; G237-A242 WeakPolarHBondContact O-CB 3.39Å; G237-V262 PolarHBondContact N-O 3.12Å; G237-V262 VanDerWaalsContact N-O 3.08Å; G237-R264 PolarHBondContact O-N 3.28Å
238	E	97.7	Very high	98.2	Very high	9 Å²	9	13.6 Å²	13.6	4%	0.042	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.1	176	-173.9	-81.1	161.9	0	0	109.9	G156 S240 G241 A242 R264 H502 L506	G156-E238 WeakPolarHBondContact CA-O 3.35Å; G156-E238 PolarHBondContact N-O 3Å; E238-S240 PolarHBondContact O-N 2.94Å; E238-G241 WeakPolarHBondContact O-CA 3.41Å; E238-G241 PolarHBondContact O-N 3.09Å; E238-A242 PolarHBondContact O-N 2.97Å; E238-A242 VanDerWaalsContact O-N 3.17Å; E238-R264 CarbonylContact C-O 3.43Å; E238-R264 WeakPolarHBondContact CA-O 3.26Å; E238-R264 HydrophobicContact CB-CB 4.19Å; E238-R264 HydrophobicContact CG-CB 4.13Å; E238-H502 IonicContact OE1-CD2 2.95Å; E238-H502 IonicContact OE1-CE1 3.42Å; E238-H502 PolarHBondContact OE1-CE1 2.95Å; E238-H502 IonicContact OE1-CG 3.7Å; E238-H502 IonicContact OE1-ND1 3.91Å; E238-H502 IonicContact OE1-NE2 2.64Å; E238-H502 PolarHBondContact OE1-NE2 3.18Å; E238-L506 HydrophobicContact CB-CD1 3.98Å; E238-L506 HydrophobicContact CB-CD2 3.56Å; E238-L506 HydrophobicContact CB-CG 4.37Å; E238-L506 HydrophobicContact CG-CD1 3.59Å; E238-L506 HydrophobicContact CG-CD2 3.6Å; E238-L506 HydrophobicContact CG-CG 4.23Å
239	S	97	Very high	98.3	Very high	9 Å²	9	13.6 Å²	13.6	6%	0.063	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-123.8	178.3	-168.6	0	0	0	0	112.1	G241 A242 A243 R264 S265 H502	S239-G241 PolarHBondContact O-N 2.87Å; S239-A242 WeakPolarHBondContact O-CA 3.48Å; S239-A242 WeakPolarHBondContact O-CB 3.49Å; S239-A242 PolarHBondContact O-N 3.25Å; S239-A243 PolarHBondContact O-N 2.98Å; S239-R264 PolarHBondContact N-O 3.45Å; S239-S265 WeakPolarHBondContact CA-O 3.01Å; S239-H502 VanDerWaalsContact CB-NE2 3.27Å; S239-H502 WeakPolarHBondContact CB-NE2 3.49Å; S239-H502 PolarHBondContact OG-NE2 3.16Å
240	S	96.8	Very high	98.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58	-27.6	172.4	62.6	0	0	0	0	114	G156 G157 S158 Y159 E238 S244	G156-S240 VanDerWaalsContact C-OG 3.32Å; G156-S240 WeakPolarHBondContact CA-OG 3.16Å; G157-S240 PolarHBondContact N-OG 2.79Å; S158-S240 PolarHBondContact N-OG 2.79Å; S158-S240 VanDerWaalsContact N-OG 3.13Å; Y159-S240 WeakPolarHBondContact CE1-O 3.45Å; Y159-S240 PolarHBondContact N-OG 3.48Å; Y159-S240 VanDerWaalsContact N-OG 3.16Å; Y159-S240 PolarHBondContact OH-O 3.19Å; E238-S240 PolarHBondContact O-N 2.94Å; S240-S244 WeakPolarHBondContact O-CB 3.3Å; S240-S244 PolarHBondContact O-N 3.46Å; S240-S244 PolarHBondContact O-OG 2.81Å
241	G	98.3	Very high	98.3	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69	-38.8	170.2	0	0	0	0	0	112.1	I154 H155 E238 S239 S244 V245	I154-G241 WeakPolarHBondContact O-CA 3.4Å; H155-G241 WeakPolarHBondContact O-CA 3.31Å; E238-G241 WeakPolarHBondContact O-CA 3.41Å; E238-G241 PolarHBondContact O-N 3.09Å; S239-G241 PolarHBondContact O-N 2.87Å; G241-S244 WeakPolarHBondContact O-CB 3.3Å; G241-S244 PolarHBondContact O-N 3.02Å; G241-V245 WeakPolarHBondContact O-CG2 3.19Å; G241-V245 PolarHBondContact O-N 3.11Å
242	A	98.8	Very high	98.1	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-68.6	-42.4	173.8	0	0	0	0	0	111.8	G237 E238 S239 S244 V245 G246 M263 R264	G237-A242 WeakPolarHBondContact O-CB 3.39Å; E238-A242 PolarHBondContact O-N 2.97Å; E238-A242 VanDerWaalsContact O-N 3.17Å; S239-A242 WeakPolarHBondContact O-CA 3.48Å; S239-A242 WeakPolarHBondContact O-CB 3.49Å; S239-A242 PolarHBondContact O-N 3.25Å; A242-S244 VanDerWaalsContact C-N 3.29Å; A242-S244 PolarHBondContact O-N 3.12Å; A242-V245 WeakPolarHBondContact O-CB 3.47Å; A242-V245 PolarHBondContact O-N 3.33Å; A242-V245 VanDerWaalsContact O-N 3.14Å; A242-G246 PolarHBondContact O-N 3.39Å; A242-M263 HydrophobicContact CB-CB 4.06Å; A242-M263 HydrophobicContact CB-CG 4.47Å; A242-R264 VanDerWaalsContact CB-O 3.26Å; A242-R264 WeakPolarHBondContact CB-O 3.37Å
243	A	98.6	Very high	98	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-59.5	-42.2	171.8	0	0	0	0	0	111.1	Y159 S239 V245 G246 I247 W272 A273	Y159-A243 WeakPolarHBondContact OH-CB 3.42Å; S239-A243 PolarHBondContact O-N 2.98Å; A243-V245 PolarHBondContact O-N 3.27Å; A243-G246 PolarHBondContact O-N 3.38Å; A243-I247 VanDerWaalsContact O-CG1 3.24Å; A243-I247 WeakPolarHBondContact O-CG1 3.42Å; A243-I247 PolarHBondContact O-N 3.41Å; A243-W272 HydrophobicContact CB-CH2 4.17Å; A243-W272 HydrophobicContact CB-CZ3 3.77Å; A243-A273 HydrophobicContact CB-CB 3.73Å
244	S	98.8	Very high	97.9	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-60	-45.2	171.7	-56.4	0	0	0	0	112.1	Y159 Q212 S240 G241 A242 G246 I247 L248	Y159-S244 WeakPolarHBondContact CE1-OG 2.94Å; Q212-S244 PolarHBondContact NE2-OG 3.41Å; S240-S244 WeakPolarHBondContact O-CB 3.3Å; S240-S244 PolarHBondContact O-N 3.46Å; S240-S244 PolarHBondContact O-OG 2.81Å; G241-S244 WeakPolarHBondContact O-CB 3.3Å; G241-S244 PolarHBondContact O-N 3.02Å; A242-S244 VanDerWaalsContact C-N 3.29Å; A242-S244 PolarHBondContact O-N 3.12Å; S244-G246 VanDerWaalsContact C-N 3.32Å; S244-G246 PolarHBondContact O-N 2.91Å; S244-I247 WeakPolarHBondContact O-CB 3.48Å; S244-I247 PolarHBondContact O-N 3.12Å; S244-L248 WeakPolarHBondContact O-CB 3.34Å; S244-L248 WeakPolarHBondContact O-CG 3.23Å; S244-L248 PolarHBondContact O-N 2.65Å
245	V	98.9	Very high	97.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-56.8	-46.2	175.1	163.1	0	0	0	0	111.3	I154 I235 G241 A242 A243 L248 A249 A261 M263	I154-V245 HydrophobicContact CD1-CG2 4Å; I235-V245 HydrophobicContact CB-CG2 4.22Å; I235-V245 HydrophobicContact CD1-CB 4.13Å; I235-V245 HydrophobicContact CD1-CG1 3.8Å; I235-V245 HydrophobicContact CD1-CG2 4.03Å; I235-V245 HydrophobicContact CG1-CB 4.47Å; I235-V245 HydrophobicContact CG1-CG1 3.84Å; I235-V245 HydrophobicContact CG1-CG2 4.12Å; G241-V245 WeakPolarHBondContact O-CG2 3.19Å; G241-V245 PolarHBondContact O-N 3.11Å; A242-V245 WeakPolarHBondContact O-CB 3.47Å; A242-V245 PolarHBondContact O-N 3.33Å; A242-V245 VanDerWaalsContact O-N 3.14Å; A243-V245 PolarHBondContact O-N 3.27Å; V245-L248 PolarHBondContact O-N 3.23Å; V245-A249 WeakPolarHBondContact O-CB 3.45Å; V245-A249 PolarHBondContact O-N 2.72Å; V245-A261 HydrophobicContact CG1-CB 3.69Å; V245-M263 HydrophobicContact CB-CG 4.1Å; V245-M263 HydrophobicContact CG1-CG 3.61Å; V245-M263 HydrophobicContact CG1-SD 4.38Å
246	G	98.6	Very high	97.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-41.4	177.5	0	0	0	0	0	112.5	A242 A243 S244 A249 T250 M263 V268	A242-G246 PolarHBondContact O-N 3.39Å; A243-G246 PolarHBondContact O-N 3.38Å; S244-G246 VanDerWaalsContact C-N 3.32Å; S244-G246 PolarHBondContact O-N 2.91Å; G246-A249 PolarHBondContact O-N 3.35Å; G246-T250 PolarHBondContact O-N 3.17Å; G246-T250 VanDerWaalsContact O-N 3.11Å; G246-T250 PolarHBondContact O-OG1 3.36Å; G246-M263 VanDerWaalsContact CA-SD 3.57Å; G246-V268 WeakPolarHBondContact O-CG2 3.36Å
247	I	98.8	Very high	97.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.8	-51.2	175	-70.2	166.5	0	0	0	109.5	L209 A243 S244 A249 T250 S251 V268 I274 P350 I361 I362 M369	L209-I247 HydrophobicContact CD1-CD1 4.35Å; L209-I247 HydrophobicContact CD1-CG2 4.06Å; A243-I247 VanDerWaalsContact O-CG1 3.24Å; A243-I247 WeakPolarHBondContact O-CG1 3.42Å; A243-I247 PolarHBondContact O-N 3.41Å; S244-I247 WeakPolarHBondContact O-CB 3.48Å; S244-I247 PolarHBondContact O-N 3.12Å; I247-A249 VanDerWaalsContact C-N 3.32Å; I247-A249 PolarHBondContact O-N 2.78Å; I247-T250 CarbonylContact O-C 3.11Å; I247-T250 PolarHBondContact O-N 2.85Å; I247-T250 PolarHBondContact O-OG1 3.13Å; I247-S251 WeakPolarHBondContact O-CA 3.38Å; I247-S251 VanDerWaalsContact O-CB 3.23Å; I247-S251 WeakPolarHBondContact O-CB 3.47Å; I247-S251 PolarHBondContact O-N 2.88Å; I247-V268 HydrophobicContact CG1-CG1 4.07Å; I247-V268 HydrophobicContact CG1-CG2 4.47Å; I247-I274 HydrophobicContact CD1-CD1 3.99Å; I247-I274 HydrophobicContact CD1-CG1 3.83Å; I247-I274 HydrophobicContact CG1-CD1 3.97Å; I247-I274 HydrophobicContact CG1-CG1 4.37Å; I247-P350 HydrophobicContact CD1-CB 4.07Å; I247-P350 HydrophobicContact CD1-CG 4.02Å; I247-I361 HydrophobicContact CG2-CG2 3.92Å; I247-I362 HydrophobicContact CD1-CD1 4.08Å; I247-I362 HydrophobicContact CG1-CD1 4.46Å; I247-I362 HydrophobicContact CG2-CD1 4Å; I247-I362 HydrophobicContact CG2-CG1 3.78Å; I247-M369 HydrophobicContact CG1-CE 4.5Å; I247-M369 HydrophobicContact CG2-CE 4.47Å
248	L	98.7	Very high	97.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.5	-39.1	179.2	-63.7	169.5	0	0	0	110.7	I154 Q212 I213 L216 I235 S244 V245 T250 T254 F258	I154-L248 HydrophobicContact CD1-CD1 3.57Å; Q212-L248 HydrophobicContact CB-CD1 4.28Å; I213-L248 HydrophobicContact CD1-CD2 4.08Å; I213-L248 HydrophobicContact CG1-CD2 3.52Å; L216-L248 HydrophobicContact CD1-CD1 3.96Å; I235-L248 HydrophobicContact CD1-CB 4.02Å; I235-L248 HydrophobicContact CD1-CD1 4.42Å; S244-L248 WeakPolarHBondContact O-CB 3.34Å; S244-L248 WeakPolarHBondContact O-CG 3.23Å; S244-L248 PolarHBondContact O-N 2.65Å; V245-L248 PolarHBondContact O-N 3.23Å; L248-T250 PolarHBondContact O-N 2.59Å; L248-T254 HydrophobicContact CB-CG2 4.34Å; L248-T254 HydrophobicContact CD2-CG2 3.67Å; L248-T254 WeakPolarHBondContact O-CB 3.24Å; L248-T254 PolarHBondContact O-OG1 2.93Å; L248-F258 HydrophobicContact CB-CE1 4.19Å; L248-F258 HydrophobicContact CB-CZ 4.01Å; L248-F258 WeakPolarHBondContact O-CZ 3.35Å
249	A	98.3	Very high	97.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.9	-23.9	-179.4	0	0	0	0	0	113.3	V245 G246 I247 F258 A261 R375	V245-A249 WeakPolarHBondContact O-CB 3.45Å; V245-A249 PolarHBondContact O-N 2.72Å; G246-A249 PolarHBondContact O-N 3.35Å; I247-A249 VanDerWaalsContact C-N 3.32Å; I247-A249 PolarHBondContact O-N 2.78Å; A249-F258 HydrophobicContact CB-CE2 4.19Å; A249-F258 HydrophobicContact CB-CZ 4.48Å; A249-A261 HydrophobicContact CB-CB 4.02Å; A249-R375 PolarHBondContact O-NH1 3.27Å
250	T	97.7	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-112.4	-9.1	-177.9	58	0	0	0	0	113.4	G246 I247 L248 M369 V370 N373 A374 Y467	G246-T250 PolarHBondContact O-N 3.17Å; G246-T250 VanDerWaalsContact O-N 3.11Å; G246-T250 PolarHBondContact O-OG1 3.36Å; I247-T250 CarbonylContact O-C 3.11Å; I247-T250 PolarHBondContact O-N 2.85Å; I247-T250 PolarHBondContact O-OG1 3.13Å; L248-T250 PolarHBondContact O-N 2.59Å; T250-M369 WeakPolarHBondContact OG1-CE 3.11Å; T250-V370 HydrophobicContact CG2-CB 4.42Å; T250-V370 HydrophobicContact CG2-CG1 4.48Å; T250-V370 HydrophobicContact CG2-CG2 4.18Å; T250-N373 WeakPolarHBondContact O-CB 3.34Å; T250-N373 PolarHBondContact O-ND2 3.01Å; T250-A374 HydrophobicContact CG2-CB 4.42Å; T250-Y467 HydrophobicContact CG2-CE2 4.22Å; T250-Y467 WeakPolarHBondContact CG2-OH 3.21Å
251	S	97.3	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.			trans	-67.4	136.2	173.7	-178.1	0	0	0	0	110.9	I247 K253 T254 I361 R375	I247-S251 WeakPolarHBondContact O-CA 3.38Å; I247-S251 VanDerWaalsContact O-CB 3.23Å; I247-S251 WeakPolarHBondContact O-CB 3.47Å; I247-S251 PolarHBondContact O-N 2.88Å; S251-K253 VanDerWaalsContact C-N 3.28Å; S251-K253 PolarHBondContact O-N 2.9Å; S251-K253 PolarHBondContact OG-N 3Å; S251-T254 PolarHBondContact O-OG1 3.45Å; S251-I361 VanDerWaalsContact CB-O 3.24Å; S251-I361 WeakPolarHBondContact CB-O 3.28Å; S251-I361 PolarHBondContact OG-O 3.03Å; S251-R375 PolarHBondContact O-NH1 3.18Å; S251-R375 PolarHBondContact O-NH2 3.1Å
252	P	94.2	Very high	97.7	Very high	48 Å²	48	22 Å²	22	31%	0.312	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-64.4	-30.5	171.1	-24	35.5	0	0	0	113.5	T254 K255 P363	P252-T254 VanDerWaalsContact C-N 3.25Å; P252-T254 PolarHBondContact O-N 3.24Å; P252-K255 WeakPolarHBondContact O-CG 3.23Å; P252-K255 PolarHBondContact O-N 2.82Å; P252-P363 HydrophobicContact CG-CG 4.15Å
253	K	94.8	Very high	97.7	Very high	41 Å²	41	22 Å²	22	18%	0.178	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-67.2	-22.9	-174.6	-179.9	161.4	177.2	162.8	0	114	E210 I213 S251 E359 I361	E210-K253 IonicContact OE1-NZ 3.85Å; E210-K253 PolarHBondContact OE1-NZ 2.75Å; E210-K253 WeakPolarHBondContact OE2-CE 3.5Å; E210-K253 IonicContact OE2-NZ 2.88Å; E210-K253 PolarHBondContact OE2-NZ 3.27Å; I213-K253 HydrophobicContact CD1-CD 4.3Å; I213-K253 HydrophobicContact CD1-CG 4.39Å; S251-K253 VanDerWaalsContact C-N 3.28Å; S251-K253 PolarHBondContact O-N 2.9Å; S251-K253 PolarHBondContact OG-N 3Å; K253-E359 VanDerWaalsContact CD-O 3.26Å; K253-E359 WeakPolarHBondContact CD-O 3.48Å; K253-E359 PolarHBondContact NZ-O 3.35Å; K253-E359 IonicContact NZ-OE2 2.67Å; K253-E359 PolarHBondContact NZ-OE2 3.42Å; K253-I361 HydrophobicContact CD-CG1 4.18Å
254	T	97	Very high	97.7	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-103.7	10.3	-174.3	55.9	0	0	0	0	113.3	I213 L248 S251 P252 N256 L257 R375	I213-T254 HydrophobicContact CD1-CG2 4Å; I213-T254 HydrophobicContact CG1-CG2 3.87Å; L248-T254 HydrophobicContact CB-CG2 4.34Å; L248-T254 HydrophobicContact CD2-CG2 3.67Å; L248-T254 WeakPolarHBondContact O-CB 3.24Å; L248-T254 PolarHBondContact O-OG1 2.93Å; S251-T254 PolarHBondContact O-OG1 3.45Å; P252-T254 VanDerWaalsContact C-N 3.25Å; P252-T254 PolarHBondContact O-N 3.24Å; T254-N256 PolarHBondContact O-N 2.92Å; T254-L257 HydrophobicContact CG2-CD1 4.28Å; T254-L257 PolarHBondContact O-N 3.11Å; T254-R375 PolarHBondContact OG1-NH2 3.32Å; T254-R375 VanDerWaalsContact OG1-NH2 3.08Å
255	K	95.2	Very high	97.6	Very high	113 Å²	113	22.4 Å²	22.4	49%	0.491	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	134.1	175.9	-77	176.3	-179.5	179.3	0	109.7	P252 L257	P252-K255 WeakPolarHBondContact O-CG 3.23Å; P252-K255 PolarHBondContact O-N 2.82Å; K255-L257 VanDerWaalsContact C-N 3.32Å; K255-L257 PolarHBondContact O-N 2.92Å
256	N	95.4	Very high	97.5	Very high	138 Å²	138	22.4 Å²	22.4	74%	0.738	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	21.9	177.5	-44.5	-39.3	0	0	0	115.7	K220 T254	K220-N256 PolarHBondContact NZ-O 3.24Å; T254-N256 PolarHBondContact O-N 2.92Å
257	L	97.9	Very high	97.5	Very high	15 Å²	15	22.4 Å²	22.4	8%	0.079	11%	0.108	C	C	.	.	S	Bend	trans	-91.6	-26	171.5	-66	-174.7	0	0	0	113.7	I213 L216 K217 K220 T254 K255	I213-L257 HydrophobicContact CG2-CD1 4.22Å; L216-L257 HydrophobicContact CB-CD1 4.36Å; K217-L257 HydrophobicContact CG-CD1 4.38Å; K217-L257 HydrophobicContact CG-CD2 4.05Å; K220-L257 HydrophobicContact CD-CD2 3.91Å; T254-L257 HydrophobicContact CG2-CD1 4.28Å; T254-L257 PolarHBondContact O-N 3.11Å; K255-L257 VanDerWaalsContact C-N 3.32Å; K255-L257 PolarHBondContact O-N 2.92Å
258	F	98.5	Very high	97.4	Very high	14 Å²	14	22.5 Å²	22.5	6%	0.061	11%	0.108	C	C	.	.			trans	-156	164.2	179.5	51.5	-90.8	0	0	0	109.1	L216 V233 I235 L248 A249 L376	L216-F258 HydrophobicContact CD1-CD1 4.08Å; L216-F258 HydrophobicContact CD1-CE1 4.08Å; V233-F258 HydrophobicContact CB-CB 4.13Å; V233-F258 HydrophobicContact CG1-CB 3.94Å; V233-F258 WeakPolarHBondContact O-CB 3.48Å; I235-F258 HydrophobicContact CD1-CD1 4.07Å; I235-F258 HydrophobicContact CD1-CD2 3.84Å; I235-F258 HydrophobicContact CD1-CE1 3.69Å; I235-F258 HydrophobicContact CD1-CE2 3.41Å; I235-F258 VanDerWaalsContact CD1-CE2 3.41Å; I235-F258 HydrophobicContact CD1-CG 4.15Å; I235-F258 HydrophobicContact CD1-CZ 3.34Å; I235-F258 HydrophobicContact CG1-CD1 4.43Å; I235-F258 HydrophobicContact CG1-CD2 3.75Å; I235-F258 HydrophobicContact CG1-CE1 4.5Å; I235-F258 HydrophobicContact CG1-CE2 3.8Å; I235-F258 HydrophobicContact CG1-CG 4.08Å; I235-F258 HydrophobicContact CG1-CZ 4.2Å; I235-F258 HydrophobicContact CG2-CB 4.07Å; I235-F258 HydrophobicContact CG2-CD1 3.89Å; I235-F258 HydrophobicContact CG2-CD2 4.4Å; I235-F258 HydrophobicContact CG2-CE1 4.48Å; I235-F258 HydrophobicContact CG2-CG 3.86Å; L248-F258 HydrophobicContact CB-CE1 4.19Å; L248-F258 HydrophobicContact CB-CZ 4.01Å; L248-F258 WeakPolarHBondContact O-CZ 3.35Å; A249-F258 HydrophobicContact CB-CE2 4.19Å; A249-F258 HydrophobicContact CB-CZ 4.48Å; F258-L376 HydrophobicContact CD2-CD1 3.6Å; F258-L376 HydrophobicContact CE2-CD1 3.46Å; F258-L376 VanDerWaalsContact CE2-CD1 3.46Å
259	R	97.7	Very high	97.3	Very high	56 Å²	56	23.8 Å²	23.8	21%	0.211	12%	0.115	C	C	.	.	S	Bend	trans	-108.4	-28.4	-173.9	66.7	165	-168.6	173.6	6	114.9	L231 V233 L376 V544 K545	L231-R259 WeakPolarHBondContact O-CD 3.42Å; V233-R259 WeakPolarHBondContact O-CG 3.5Å; V233-R259 PolarHBondContact O-N 3.33Å; R259-L376 WeakPolarHBondContact O-CB 2.96Å; R259-L376 WeakPolarHBondContact O-CD2 3.5Å; R259-V544 PolarHBondContact NH2-O 3.11Å; R259-K545 PolarHBondContact NH2-O 3.44Å
260	Y	98.4	Very high	97.2	Very high	35 Å²	35	24 Å²	24	14%	0.137	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	156.9	-179.1	-53.7	-36	0	0	0	111.1	T234 I235 P377 F543 T546	T234-Y260 WeakPolarHBondContact CA-O 3.39Å; I235-Y260 PolarHBondContact N-O 3.48Å; I235-Y260 VanDerWaalsContact N-O 3.11Å; Y260-P377 HydrophobicContact CD1-CB 3.62Å; Y260-P377 HydrophobicContact CD1-CG 3.6Å; Y260-P377 HydrophobicContact CE1-CB 4.02Å; Y260-P377 HydrophobicContact CE1-CG 3.59Å; Y260-P377 HydrophobicContact CG-CB 4.45Å; Y260-F543 WeakPolarHBondContact CD2-O 3.29Å; Y260-F543 HydrophobicContact CG-CE1 4.38Å; Y260-T546 PolarHBondContact OH-O 2.75Å
261	A	98.7	Very high	96.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.1	177.8	0	0	0	0	0	111.2	I235 V245 A249 P377 L378 M379	I235-A261 HydrophobicContact CG1-CB 4.36Å; I235-A261 CarbonylContact O-C 3.53Å; I235-A261 WeakPolarHBondContact O-CA 3.34Å; V245-A261 HydrophobicContact CG1-CB 3.69Å; A249-A261 HydrophobicContact CB-CB 4.02Å; A261-P377 PolarHBondContact N-O 3.48Å; A261-L378 HydrophobicContact CB-CD1 4.08Å; A261-M379 PolarHBondContact O-N 2.7Å
262	V	98.9	Very high	96.5	Very high	1 Å²	1	27 Å²	27	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.5	173.4	-175.3	0	0	0	0	109.4	T234 I235 C236 G237 R264 M379 L540 F543	T234-V262 HydrophobicContact CG2-CG2 3.89Å; I235-V262 PolarHBondContact O-N 2.89Å; C236-V262 WeakPolarHBondContact CA-O 3.26Å; C236-V262 HydrophobicContact CB-CB 3.88Å; C236-V262 HydrophobicContact CB-CG2 4.47Å; G237-V262 PolarHBondContact N-O 3.12Å; G237-V262 VanDerWaalsContact N-O 3.08Å; V262-R264 HydrophobicContact CG1-CG 4.27Å; V262-M379 CarbonylContact C-O 3.54Å; V262-M379 VanDerWaalsContact CA-O 3.26Å; V262-M379 WeakPolarHBondContact CA-O 3.18Å; V262-M379 HydrophobicContact CB-CB 4.49Å; V262-M379 HydrophobicContact CG1-CB 4.19Å; V262-M379 HydrophobicContact CG1-CG 4.19Å; V262-M379 HydrophobicContact CG1-SD 4.01Å; V262-M379 HydrophobicContact CG2-CB 4.16Å; V262-L540 HydrophobicContact CB-CD1 4.47Å; V262-L540 HydrophobicContact CG1-CD1 4.05Å; V262-L540 HydrophobicContact CG2-CD1 3.97Å; V262-F543 HydrophobicContact CG2-CD1 3.58Å; V262-F543 HydrophobicContact CG2-CE1 3.62Å
263	M	98.8	Very high	96.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.9	-175.9	-67.7	171	60.8	0	0	109.9	A242 V245 G246 G266 L378 M379 I380 G381 E463	A242-M263 HydrophobicContact CB-CB 4.06Å; A242-M263 HydrophobicContact CB-CG 4.47Å; V245-M263 HydrophobicContact CB-CG 4.1Å; V245-M263 HydrophobicContact CG1-CG 3.61Å; V245-M263 HydrophobicContact CG1-SD 4.38Å; G246-M263 VanDerWaalsContact CA-SD 3.57Å; M263-G266 VanDerWaalsContact CE-O 3.25Å; M263-G266 WeakPolarHBondContact CE-O 3.36Å; M263-L378 HydrophobicContact CB-CD1 4.48Å; M263-L378 HydrophobicContact CG-CD1 4.04Å; M263-L378 HydrophobicContact SD-CD1 3.63Å; M263-M379 PolarHBondContact N-O 3.01Å; M263-I380 HydrophobicContact CB-CB 4.39Å; M263-I380 HydrophobicContact CB-CD1 4.37Å; M263-I380 HydrophobicContact CB-CG1 4.04Å; M263-I380 HydrophobicContact CE-CD1 4.31Å; M263-I380 CarbonylContact O-C 3.54Å; M263-I380 VanDerWaalsContact O-CA 3.25Å; M263-I380 WeakPolarHBondContact O-CA 3.23Å; M263-G381 PolarHBondContact O-N 2.97Å; M263-E463 WeakPolarHBondContact CE-OE2 3.39Å
264	R	98.5	Very high	96.6	Very high	7 Å²	7	23.7 Å²	23.7	3%	0.026	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.6	-179.6	-47.1	-174.3	71.7	137.9	4.1	109.3	G237 E238 S239 A242 V262 G266 G381 Y477 D505 L506	G237-R264 PolarHBondContact O-N 3.28Å; E238-R264 CarbonylContact C-O 3.43Å; E238-R264 WeakPolarHBondContact CA-O 3.26Å; E238-R264 HydrophobicContact CB-CB 4.19Å; E238-R264 HydrophobicContact CG-CB 4.13Å; S239-R264 PolarHBondContact N-O 3.45Å; A242-R264 VanDerWaalsContact CB-O 3.26Å; A242-R264 WeakPolarHBondContact CB-O 3.37Å; V262-R264 HydrophobicContact CG1-CG 4.27Å; R264-G266 PolarHBondContact O-N 2.98Å; R264-G266 VanDerWaalsContact O-N 3.13Å; R264-G381 CarbonylContact C-O 3.53Å; R264-Y477 WeakPolarHBondContact CG-OH 3.34Å; R264-Y477 PolarHBondContact NE-OH 3.2Å; R264-Y477 PolarHBondContact NH2-OH 2.85Å; R264-D505 IonicContact CZ-OD2 3.22Å; R264-D505 IonicContact NE-OD2 2.78Å; R264-D505 PolarHBondContact NE-OD2 2.85Å; R264-D505 VanDerWaalsContact NH2-CG 3.31Å; R264-D505 IonicContact NH2-OD2 2.77Å; R264-D505 PolarHBondContact NH2-OD2 3.15Å; R264-L506 HydrophobicContact CB-CD1 4.41Å
265	S	97.9	Very high	96.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	56.2	33	175.7	-59.7	0	0	0	0	114.7	S239 G381 E386	S239-S265 WeakPolarHBondContact CA-O 3.01Å; S265-G381 PolarHBondContact N-O 2.97Å; S265-E386 WeakPolarHBondContact CA-OE1 3.18Å; S265-E386 WeakPolarHBondContact CB-OE1 3.1Å; S265-E386 WeakPolarHBondContact CB-OE2 2.77Å; S265-E386 VanDerWaalsContact OG-CD 3.29Å; S265-E386 PolarHBondContact OG-OE1 2.91Å; S265-E386 PolarHBondContact OG-OE2 3.3Å
266	G	96.6	Very high	96.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	11%	0.107	C	C	.	.			trans	-166.9	148.8	177	0	0	0	0	0	113.2	M263 R264	M263-G266 VanDerWaalsContact CE-O 3.25Å; M263-G266 WeakPolarHBondContact CE-O 3.36Å; R264-G266 PolarHBondContact O-N 2.98Å; R264-G266 VanDerWaalsContact O-N 3.13Å
267	S	97.6	Very high	95.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.			trans	-139.3	155.9	-176.3	167.2	0	0	0	0	110.6	L269 S270 A273 P459 E463	S267-L269 PolarHBondContact O-N 3.2Å; S267-L269 PolarHBondContact OG-N 3.4Å; S267-S270 WeakPolarHBondContact O-CB 3.22Å; S267-S270 PolarHBondContact O-N 3.03Å; S267-A273 VanDerWaalsContact O-CB 3.23Å; S267-A273 WeakPolarHBondContact O-CB 3.16Å; S267-P459 PolarHBondContact OG-O 3.25Å; S267-E463 WeakPolarHBondContact CA-OE2 3.35Å; S267-E463 VanDerWaalsContact CB-OE2 3.31Å; S267-E463 WeakPolarHBondContact CB-OE2 3.23Å; S267-E463 PolarHBondContact OG-OE2 3.41Å
268	V	97.3	Very high	95.2	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.8	169.1	-166.7	0	0	0	0	111.2	G246 I247 I274 P366 M369 V370 E463	G246-V268 WeakPolarHBondContact O-CG2 3.36Å; I247-V268 HydrophobicContact CG1-CG1 4.07Å; I247-V268 HydrophobicContact CG1-CG2 4.47Å; V268-I274 HydrophobicContact CG1-CD1 3.79Å; V268-P366 HydrophobicContact CG1-CB 4.1Å; V268-M369 HydrophobicContact CG1-CE 3.83Å; V268-V370 HydrophobicContact CB-CG2 3.92Å; V268-V370 HydrophobicContact CG1-CG2 4.11Å; V268-V370 HydrophobicContact CG2-CG2 4.2Å; V268-E463 WeakPolarHBondContact CG2-OE1 3.39Å; V268-E463 PolarHBondContact N-OE2 3.27Å
269	L	97.1	Very high	94.9	Very high	28 Å²	28	17.6 Å²	17.6	15%	0.147	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.2	-176.8	-50.9	-174	0	0	0	113	S267 P366 E367 V370 P459 K462 E463 L466	S267-L269 PolarHBondContact O-N 3.2Å; S267-L269 PolarHBondContact OG-N 3.4Å; L269-P366 HydrophobicContact CD2-CB 4Å; L269-E367 HydrophobicContact CD2-CB 4.07Å; L269-V370 HydrophobicContact CD2-CG2 4.1Å; L269-P459 HydrophobicContact CB-CB 4.25Å; L269-K462 HydrophobicContact CD1-CB 3.97Å; L269-K462 HydrophobicContact CD1-CD 3.91Å; L269-K462 HydrophobicContact CD1-CG 3.77Å; L269-E463 HydrophobicContact CD1-CB 4.01Å; L269-E463 HydrophobicContact CG-CB 4.28Å; L269-L466 HydrophobicContact CD1-CD1 3.92Å
270	S	95	Very high	94.5	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.021	10%	0.099	C	C	.	.	S	Bend	trans	-62.5	134.3	173.9	-77.3	0	0	0	0	109.4	S267 W272 A273 N455	S267-S270 WeakPolarHBondContact O-CB 3.22Å; S267-S270 PolarHBondContact O-N 3.03Å; S270-W272 VanDerWaalsContact CB-CE2 3.46Å; S270-W272 PolarHBondContact O-N 3.01Å; S270-A273 WeakPolarHBondContact O-CB 3.39Å; S270-A273 PolarHBondContact O-N 3.18Å; S270-N455 WeakPolarHBondContact CB-O 3.38Å; S270-N455 PolarHBondContact OG-O 3.11Å
271	P	91.1	Very high	94	Very high	52 Å²	52	19.8 Å²	19.8	34%	0.338	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-22.9	-175.2	-27.5	34.6	0	0	0	114.9	Q275	P271-Q275 VanDerWaalsContact O-CG 3.28Å; P271-Q275 WeakPolarHBondContact O-CG 3.32Å
272	W	90.8	Very high	93.6	Very high	11 Å²	11	19.8 Å²	19.8	4%	0.042	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-11.6	179.5	45.9	-95.3	0	0	0	114.9	A243 S270 Q275 F342 L343 T346 N455 I456	A243-W272 HydrophobicContact CB-CH2 4.17Å; A243-W272 HydrophobicContact CB-CZ3 3.77Å; S270-W272 VanDerWaalsContact CB-CE2 3.46Å; S270-W272 PolarHBondContact O-N 3.01Å; W272-Q275 PolarHBondContact O-NE2 3.2Å; W272-F342 AromaticContact CD1-CE1 3.85Å; W272-L343 HydrophobicContact CB-CD2 3.48Å; W272-L343 VanDerWaalsContact CB-CD2 3.48Å; W272-L343 HydrophobicContact CG-CD2 4.32Å; W272-T346 HydrophobicContact CB-CG2 4.15Å; W272-N455 PolarHBondContact NE1-O 2.92Å; W272-I456 HydrophobicContact CZ2-CD1 4.44Å; W272-I456 HydrophobicContact CZ2-CG1 4.39Å
273	A	95.3	Very high	93.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-41.7	-170.1	0	0	0	0	0	112.9	A243 S267 S270 P350	A243-A273 HydrophobicContact CB-CB 3.73Å; S267-A273 VanDerWaalsContact O-CB 3.23Å; S267-A273 WeakPolarHBondContact O-CB 3.16Å; S270-A273 WeakPolarHBondContact O-CB 3.39Å; S270-A273 PolarHBondContact O-N 3.18Å; A273-P350 WeakPolarHBondContact O-CD 3.38Å; A273-P350 WeakPolarHBondContact O-CG 3.49Å
274	I	95.3	Very high	92.9	Very high	21 Å²	21	20.5 Å²	20.5	11%	0.108	12%	0.12	C	C	.	.			trans	-135.2	103	-179.5	-60	165.5	0	0	0	107.8	I247 V268 P350 V352 I362 P366	I247-I274 HydrophobicContact CD1-CD1 3.99Å; I247-I274 HydrophobicContact CD1-CG1 3.83Å; I247-I274 HydrophobicContact CG1-CD1 3.97Å; I247-I274 HydrophobicContact CG1-CG1 4.37Å; V268-I274 HydrophobicContact CG1-CD1 3.79Å; I274-P350 CarbonylContact C-O 3.56Å; I274-P350 WeakPolarHBondContact CA-O 3.33Å; I274-P350 HydrophobicContact CG1-CB 4.15Å; I274-P350 WeakPolarHBondContact CG2-O 3.41Å; I274-V352 HydrophobicContact CG2-CG2 4.12Å; I274-I362 HydrophobicContact CD1-CD1 4Å; I274-I362 HydrophobicContact CD1-CG2 4.19Å; I274-I362 HydrophobicContact CG1-CD1 4.08Å; I274-I362 HydrophobicContact CG2-CD1 4.44Å; I274-P366 HydrophobicContact CB-CG 4.12Å; I274-P366 HydrophobicContact CD1-CB 4.09Å; I274-P366 HydrophobicContact CD1-CG 3.64Å; I274-P366 HydrophobicContact CG1-CG 4.45Å; I274-P366 HydrophobicContact CG2-CG 4.35Å
275	Q	90.9	Very high	92.5	Very high	21 Å²	21	23.4 Å²	23.4	10%	0.098	13%	0.131	C	C	.	.			trans	-123.3	77.3	-177.7	-58.7	179.1	91	0	0	110.8	P271 W272 N278 T279 T346 T349 P350	P271-Q275 VanDerWaalsContact O-CG 3.28Å; P271-Q275 WeakPolarHBondContact O-CG 3.32Å; W272-Q275 PolarHBondContact O-NE2 3.2Å; Q275-N278 HydrophobicContact CB-CB 3.89Å; Q275-N278 PolarHBondContact O-N 2.94Å; Q275-T279 VanDerWaalsContact O-CB 3.26Å; Q275-T279 WeakPolarHBondContact O-CB 3.17Å; Q275-T279 PolarHBondContact O-N 2.67Å; Q275-T279 PolarHBondContact O-OG1 3.16Å; Q275-T346 PolarHBondContact NE2-O 2.85Å; Q275-T346 PolarHBondContact NE2-OG1 3.4Å; Q275-T349 WeakPolarHBondContact CB-OG1 3.49Å; Q275-T349 PolarHBondContact N-OG1 3.47Å; Q275-P350 PolarHBondContact N-O 3.12Å; Q275-P350 VanDerWaalsContact N-O 3.11Å
276	S	91.2	Very high	92.3	Very high	30 Å²	30	23.4 Å²	23.4	21%	0.21	13%	0.131	C	C	.	.	H	α-helix	trans	-60.2	-51.2	-177.7	-49.2	0	0	0	0	112.3	N278 T279 D280 V351 V352	S276-N278 PolarHBondContact O-N 3.5Å; S276-T279 PolarHBondContact O-N 3.17Å; S276-D280 WeakPolarHBondContact O-CB 3.49Å; S276-D280 VanDerWaalsContact O-CG 3.3Å; S276-D280 PolarHBondContact O-N 3.1Å; S276-V351 WeakPolarHBondContact OG-CA 3.49Å; S276-V352 PolarHBondContact OG-N 3.31Å
277	T	88	Confident	92.1	Very high	93 Å²	93	23.4 Å²	23.4	57%	0.571	13%	0.131	S	C	*	.	H	α-helix	trans	-61	-44.8	179.9	-53.5	0	0	0	0	112.4	D280 L281	T277-D280 PolarHBondContact O-N 3.29Å; T277-L281 HydrophobicContact CG2-CD1 4.23Å; T277-L281 VanDerWaalsContact O-CG 3.29Å; T277-L281 WeakPolarHBondContact O-CG 3Å; T277-L281 PolarHBondContact O-N 3.48Å
278	N	86.5	Confident	91.8	Very high	9 Å²	9	30 Å²	30	5%	0.048	16%	0.161	C	C	.	.	H	α-helix	trans	-66.8	-43.4	-179.4	-161.1	47	0	0	0	111.5	Q275 S276 D280 L281 N282 N339	Q275-N278 HydrophobicContact CB-CB 3.89Å; Q275-N278 PolarHBondContact O-N 2.94Å; S276-N278 PolarHBondContact O-N 3.5Å; N278-D280 VanDerWaalsContact C-N 3.35Å; N278-D280 PolarHBondContact O-N 2.93Å; N278-L281 PolarHBondContact O-N 3.08Å; N278-N282 PolarHBondContact ND2-ND2 3.22Å; N278-N282 WeakPolarHBondContact O-CB 3.05Å; N278-N282 PolarHBondContact O-N 3.12Å; N278-N282 PolarHBondContact O-ND2 3.25Å; N278-N339 PolarHBondContact ND2-OD1 3.13Å; N278-N339 PolarHBondContact OD1-OD1 2.91Å
279	T	91.2	Very high	91.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-41.2	178.6	-54.7	0	0	0	0	111.3	F195 S197 Q275 S276 N282 S283 F348 T349 V351	F195-T279 WeakPolarHBondContact O-CG2 3.49Å; S197-T279 WeakPolarHBondContact OG-CG2 3.38Å; Q275-T279 VanDerWaalsContact O-CB 3.26Å; Q275-T279 WeakPolarHBondContact O-CB 3.17Å; Q275-T279 PolarHBondContact O-N 2.67Å; Q275-T279 PolarHBondContact O-OG1 3.16Å; S276-T279 PolarHBondContact O-N 3.17Å; T279-N282 PolarHBondContact O-N 2.75Å; T279-S283 VanDerWaalsContact O-CB 3.24Å; T279-S283 WeakPolarHBondContact O-CB 3.37Å; T279-S283 PolarHBondContact O-N 2.96Å; T279-S283 PolarHBondContact O-OG 3.07Å; T279-F348 HydrophobicContact CG2-CD1 4.24Å; T279-T349 PolarHBondContact OG1-N 3.02Å; T279-T349 VanDerWaalsContact OG1-N 3.11Å; T279-T349 PolarHBondContact OG1-O 3.48Å; T279-T349 PolarHBondContact OG1-OG1 3.27Å; T279-V351 HydrophobicContact CG2-CG1 3.79Å
280	D	89.6	Confident	91.4	Very high	56 Å²	56	31.5 Å²	31.5	30%	0.299	18%	0.177	S	C	.	.	H	α-helix	trans	-65.4	-42.1	176.2	-72.6	-19.1	0	0	0	112	S197 S276 T277 N278 S283 G284	S197-D280 WeakPolarHBondContact CB-OD1 3.45Å; S197-D280 PolarHBondContact OG-OD1 3.33Å; S276-D280 WeakPolarHBondContact O-CB 3.49Å; S276-D280 VanDerWaalsContact O-CG 3.3Å; S276-D280 PolarHBondContact O-N 3.1Å; T277-D280 PolarHBondContact O-N 3.29Å; N278-D280 VanDerWaalsContact C-N 3.35Å; N278-D280 PolarHBondContact O-N 2.93Å; D280-S283 PolarHBondContact O-N 2.96Å; D280-G284 PolarHBondContact O-N 3.25Å
281	L	87.8	Confident	91.3	Very high	81 Å²	81	37.4 Å²	37.4	42%	0.424	21%	0.209	S	C	.	.	H	α-helix	trans	-61.8	-47.3	176	-73.5	172.6	0	0	0	111.7	T277 N278 S283 G284 R285 Y338	T277-L281 HydrophobicContact CG2-CD1 4.23Å; T277-L281 VanDerWaalsContact O-CG 3.29Å; T277-L281 WeakPolarHBondContact O-CG 3Å; T277-L281 PolarHBondContact O-N 3.48Å; N278-L281 PolarHBondContact O-N 3.08Å; L281-S283 VanDerWaalsContact C-N 3.32Å; L281-S283 PolarHBondContact O-N 3.34Å; L281-G284 PolarHBondContact O-N 3.36Å; L281-R285 PolarHBondContact O-N 3.42Å; L281-Y338 HydrophobicContact CD1-CD2 3.8Å; L281-Y338 HydrophobicContact CD1-CE2 4.09Å; L281-Y338 HydrophobicContact CD1-CG 4.3Å
282	N	89.8	Confident	91.3	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-32.6	179.2	-66	-40.7	0	0	0	111.9	N278 T279 G284 R285 L286 N339 Y347 F348	N278-N282 PolarHBondContact ND2-ND2 3.22Å; N278-N282 WeakPolarHBondContact O-CB 3.05Å; N278-N282 PolarHBondContact O-N 3.12Å; N278-N282 PolarHBondContact O-ND2 3.25Å; T279-N282 PolarHBondContact O-N 2.75Å; N282-G284 VanDerWaalsContact C-N 3.34Å; N282-R285 PolarHBondContact O-N 3.4Å; N282-L286 WeakPolarHBondContact O-CB 3.36Å; N282-L286 PolarHBondContact O-N 3.12Å; N282-N339 PolarHBondContact OD1-ND2 2.87Å; N282-Y347 WeakPolarHBondContact ND2-CA 3.35Å; N282-Y347 PolarHBondContact ND2-O 2.93Å; N282-F348 HydrophobicContact CB-CE1 4.26Å; N282-F348 HydrophobicContact CB-CE2 4.35Å; N282-F348 HydrophobicContact CB-CZ 4.01Å
283	S	92.5	Very high	90.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-42	171.2	-60.4	0	0	0	0	111	S197 T279 D280 L281 L286 L287	S197-S283 PolarHBondContact N-OG 3.39Å; S197-S283 VanDerWaalsContact N-OG 3.12Å; S197-S283 WeakPolarHBondContact O-CB 3.19Å; S197-S283 PolarHBondContact O-OG 3.37Å; T279-S283 VanDerWaalsContact O-CB 3.24Å; T279-S283 WeakPolarHBondContact O-CB 3.37Å; T279-S283 PolarHBondContact O-N 2.96Å; T279-S283 PolarHBondContact O-OG 3.07Å; D280-S283 PolarHBondContact O-N 2.96Å; L281-S283 VanDerWaalsContact C-N 3.32Å; L281-S283 PolarHBondContact O-N 3.34Å; S283-L286 PolarHBondContact O-N 2.05Å; S283-L287 VanDerWaalsContact O-CG 3.23Å; S283-L287 WeakPolarHBondContact O-CG 3.4Å; S283-L287 PolarHBondContact O-N 3.14Å
284	G	91.2	Very high	90	Very high	16 Å²	16	43.9 Å²	43.9	17%	0.165	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-47.2	173.8	0	0	0	0	0	113.6	D280 L281 N282 L286 L287 E288 Y294	D280-G284 PolarHBondContact O-N 3.25Å; L281-G284 PolarHBondContact O-N 3.36Å; N282-G284 VanDerWaalsContact C-N 3.34Å; G284-L286 VanDerWaalsContact C-N 3.3Å; G284-L286 PolarHBondContact O-N 3.41Å; G284-L287 PolarHBondContact O-N 3.01Å; G284-E288 PolarHBondContact O-N 3.23Å; G284-E288 VanDerWaalsContact O-N 3.07Å; G284-Y294 VanDerWaalsContact CA-OH 3.28Å; G284-Y294 WeakPolarHBondContact CA-OH 3.44Å
285	R	90.4	Very high	88.7	Confident	68 Å²	68	48.7 Å²	48.7	26%	0.257	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-38.7	176.6	-65	169.4	70.8	-165.3	-0.4	111.8	L281 N282 A289 L319 D323 N339	L281-R285 PolarHBondContact O-N 3.42Å; N282-R285 PolarHBondContact O-N 3.4Å; R285-A289 WeakPolarHBondContact O-CB 3.5Å; R285-A289 PolarHBondContact O-N 2.85Å; R285-L319 HydrophobicContact CB-CD1 4.29Å; R285-L319 HydrophobicContact CB-CD2 3.49Å; R285-L319 VanDerWaalsContact CB-CD2 3.49Å; R285-L319 HydrophobicContact CG-CD2 4.33Å; R285-L319 PolarHBondContact NH2-O 2.86Å; R285-D323 IonicContact CZ-OD2 2.94Å; R285-D323 IonicContact NH1-OD1 3.39Å; R285-D323 IonicContact NH1-OD2 3.38Å; R285-D323 PolarHBondContact NH1-OD2 3.36Å; R285-D323 IonicContact NH2-OD2 2.9Å; R285-N339 PolarHBondContact NH1-ND2 3.45Å
286	L	92.8	Very high	87.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-46.7	176.3	-176.3	154.9	0	0	0	111.4	P192 L196 N282 S283 G284 E288 A289 T290 L304 M312 V315 L319 F348	P192-L286 HydrophobicContact CB-CD1 3.57Å; P192-L286 HydrophobicContact CG-CD1 4.04Å; L196-L286 HydrophobicContact CD1-CD1 4.32Å; L196-L286 HydrophobicContact CD1-CD2 3.79Å; N282-L286 WeakPolarHBondContact O-CB 3.36Å; N282-L286 PolarHBondContact O-N 3.12Å; S283-L286 PolarHBondContact O-N 2.05Å; G284-L286 VanDerWaalsContact C-N 3.3Å; G284-L286 PolarHBondContact O-N 3.41Å; L286-E288 VanDerWaalsContact C-N 3.3Å; L286-E288 PolarHBondContact O-N 3.35Å; L286-A289 PolarHBondContact O-N 2.89Å; L286-T290 HydrophobicContact CD2-CG2 4.08Å; L286-T290 HydrophobicContact CG-CG2 4.46Å; L286-T290 WeakPolarHBondContact O-CG2 3.28Å; L286-T290 PolarHBondContact O-N 3.13Å; L286-T290 PolarHBondContact O-OG1 2.68Å; L286-T290 VanDerWaalsContact O-OG1 3.13Å; L286-L304 HydrophobicContact CD2-CD2 3.91Å; L286-M312 HydrophobicContact CD1-CG 4.27Å; L286-V315 HydrophobicContact CB-CG1 4.25Å; L286-V315 HydrophobicContact CG-CG1 4Å; L286-L319 HydrophobicContact CB-CD1 4.49Å; L286-F348 HydrophobicContact CB-CZ 4.2Å; L286-F348 HydrophobicContact CD1-CE1 4.31Å; L286-F348 HydrophobicContact CD1-CE2 4.32Å; L286-F348 HydrophobicContact CD1-CZ 3.65Å
287	L	92.4	Very high	87	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-42.5	178.5	-72.9	168.9	0	0	0	112.1	S283 G284 T290 N291 C292 Y294 T300 L304	S283-L287 VanDerWaalsContact O-CG 3.23Å; S283-L287 WeakPolarHBondContact O-CG 3.4Å; S283-L287 PolarHBondContact O-N 3.14Å; G284-L287 PolarHBondContact O-N 3.01Å; L287-T290 PolarHBondContact O-OG1 2.89Å; L287-N291 PolarHBondContact O-N 3.23Å; L287-C292 HydrophobicContact CD2-CB 4.03Å; L287-C292 WeakPolarHBondContact CD2-O 3.03Å; L287-C292 PolarHBondContact O-N 3.43Å; L287-Y294 HydrophobicContact CD1-CD1 4.36Å; L287-Y294 HydrophobicContact CD1-CE1 3.63Å; L287-Y294 HydrophobicContact CD1-CE2 4.15Å; L287-T300 HydrophobicContact CD2-CG2 3.6Å; L287-L304 HydrophobicContact CD2-CD1 3.72Å; L287-L304 HydrophobicContact CD2-CD2 3.98Å; L287-L304 HydrophobicContact CD2-CG 3.94Å
288	E	91.8	Very high	86.7	Confident	138 Å²	138	51.6 Å²	51.6	65%	0.645	28%	0.284	S	S	*	.	H	α-helix	trans	-63.5	-50.1	174.9	-175.8	175.8	-169	0	0	111.3	G284 L286 T290 N291	G284-E288 PolarHBondContact O-N 3.23Å; G284-E288 VanDerWaalsContact O-N 3.07Å; L286-E288 VanDerWaalsContact C-N 3.3Å; L286-E288 PolarHBondContact O-N 3.35Å; E288-T290 VanDerWaalsContact C-N 3.27Å; E288-T290 PolarHBondContact O-N 3.49Å; E288-N291 PolarHBondContact O-N 3.42Å
289	A	93	Very high	86.8	Confident	53 Å²	53	58 Å²	58	44%	0.438	31%	0.311	S	S	.	.	H	α-helix	trans	-65.3	-26.7	-178.8	0	0	0	0	0	113.8	R285 L286 V315	R285-A289 WeakPolarHBondContact O-CB 3.5Å; R285-A289 PolarHBondContact O-N 2.85Å; L286-A289 PolarHBondContact O-N 2.89Å; A289-V315 HydrophobicContact CB-CB 4.44Å; A289-V315 HydrophobicContact CB-CG1 3.66Å; A289-V315 HydrophobicContact CB-CG2 3.9Å
290	T	93.7	Very high	86.7	Confident	8 Å²	8	58 Å²	58	5%	0.049	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	3.2	173.9	64.3	0	0	0	0	113.4	L286 L287 E288 C292 V307 V315	L286-T290 HydrophobicContact CD2-CG2 4.08Å; L286-T290 HydrophobicContact CG-CG2 4.46Å; L286-T290 WeakPolarHBondContact O-CG2 3.28Å; L286-T290 PolarHBondContact O-N 3.13Å; L286-T290 PolarHBondContact O-OG1 2.68Å; L286-T290 VanDerWaalsContact O-OG1 3.13Å; L287-T290 PolarHBondContact O-OG1 2.89Å; E288-T290 VanDerWaalsContact C-N 3.27Å; E288-T290 PolarHBondContact O-N 3.49Å; T290-C292 PolarHBondContact O-N 2.55Å; T290-V307 HydrophobicContact CG2-CG1 3.95Å; T290-V307 HydrophobicContact CG2-CG2 4.13Å; T290-V315 HydrophobicContact CG2-CG2 4.07Å
291	N	91.9	Very high	86.8	Confident	127 Å²	127	57.1 Å²	57.1	68%	0.679	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	25.4	-172.6	-62	-57.2	0	0	0	114	L287 E288 N293	L287-N291 PolarHBondContact O-N 3.23Å; E288-N291 PolarHBondContact O-N 3.42Å; N291-N293 VanDerWaalsContact C-N 3.25Å; N291-N293 PolarHBondContact O-N 2.84Å
292	C	90.9	Very high	87	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.014	30%	0.302	C	S	.	.			trans	-91.9	59	175.1	-66.6	0	0	0	0	110.3	L287 T290 C303 L304	L287-C292 HydrophobicContact CD2-CB 4.03Å; L287-C292 WeakPolarHBondContact CD2-O 3.03Å; L287-C292 PolarHBondContact O-N 3.43Å; T290-C292 PolarHBondContact O-N 2.55Å; C292-C303 WeakPolarHBondContact CA-SG 3.22Å; C292-C303 HydrophobicContact CB-CB 3.74Å; C292-C303 WeakPolarHBondContact CB-SG 3.47Å; C292-C303 WeakPolarHBondContact SG-CB 3.23Å; C292-C303 CovalentContact SG-SG 2.05Å; C292-C303 PolarHBondContact SG-SG 3.3Å; C292-L304 HydrophobicContact CB-CD2 4.18Å; C292-L304 HydrophobicContact CB-CG 4.16Å; C292-L304 PolarHBondContact SG-N 3.05Å
293	N	80.9	Confident	87.2	Confident	84 Å²	84	57.3 Å²	57.3	45%	0.449	32%	0.316	S	S	.	.			trans	-52.7	156.4	-173.6	-66.9	-30.4	0	0	0	113.8	N291 N295 T300	N291-N293 VanDerWaalsContact C-N 3.25Å; N291-N293 PolarHBondContact O-N 2.84Å; N293-N295 VanDerWaalsContact C-N 3.34Å; N293-N295 PolarHBondContact O-N 2.84Å; N293-T300 PolarHBondContact O-OG1 3.05Å
294	Y	78	Confident	87.3	Confident	113 Å²	113	57.3 Å²	57.3	44%	0.443	32%	0.316	S	S	.	.	S	Bend	trans	-67.6	86.8	174.1	-66.2	-81.4	0	0	0	111	S198 R200 S201 G284 L287	S198-Y294 WeakPolarHBondContact OG-CE1 3.29Å; R200-Y294 HydrophobicContact CB-CD1 4.32Å; R200-Y294 HydrophobicContact CB-CE1 4.49Å; S201-Y294 WeakPolarHBondContact OG-CD1 3.39Å; G284-Y294 VanDerWaalsContact CA-OH 3.28Å; G284-Y294 WeakPolarHBondContact CA-OH 3.44Å; L287-Y294 HydrophobicContact CD1-CD1 4.36Å; L287-Y294 HydrophobicContact CD1-CE1 3.63Å; L287-Y294 HydrophobicContact CD1-CE2 4.15Å
295	N	68.4	Low	87.4	Confident	121 Å²	121	58.1 Å²	58.1	65%	0.647	32%	0.316	S	S	*	.	S	Bend	trans	-106.2	-58.8	-179.8	-69.4	-17.1	0	0	0	111.4	N293 K299	N293-N295 VanDerWaalsContact C-N 3.34Å; N293-N295 PolarHBondContact O-N 2.84Å; N295-K299 HydrophobicContact CB-CB 4.36Å; N295-K299 HydrophobicContact CB-CD 4.43Å
296	S	71.2	Confident	87.6	Confident	51 Å²	51	62.6 Å²	62.6	36%	0.357	34%	0.34	S	S	.	.			trans	-163.8	157.1	173.5	65.9	0	0	0	0	109	A298 K299 T300	S296-A298 VanDerWaalsContact C-N 3.32Å; S296-A298 PolarHBondContact O-N 3.03Å; S296-K299 PolarHBondContact O-N 3.26Å; S296-K299 VanDerWaalsContact O-N 3.08Å; S296-K299 WeakPolarHBondContact OG-CG 3.46Å; S296-T300 PolarHBondContact O-N 3.13Å; S296-T300 PolarHBondContact O-OG1 3.33Å
297	D	75.2	Confident	87.8	Confident	82 Å²	82	62.9 Å²	62.9	44%	0.439	34%	0.341	S	S	.	.	H	α-helix	trans	-47.7	-52.9	-177.1	-64.3	3.4	0	0	0	112.6	S201 G202 K299 L301	S201-D297 WeakPolarHBondContact CA-OD1 3.4Å; S201-D297 PolarHBondContact N-OD1 3.43Å; S201-D297 VanDerWaalsContact O-CA 3.32Å; S201-D297 WeakPolarHBondContact O-CA 3.44Å; G202-D297 PolarHBondContact N-OD1 3.5Å; G202-D297 VanDerWaalsContact N-OD1 3.17Å; G202-D297 PolarHBondContact N-OD2 3.25Å; D297-K299 PolarHBondContact O-N 3.46Å; D297-L301 VanDerWaalsContact O-CB 3.24Å; D297-L301 WeakPolarHBondContact O-CB 3.36Å; D297-L301 PolarHBondContact O-N 3.31Å
298	A	81.5	Confident	88	Confident	73 Å²	73	65.5 Å²	65.5	60%	0.603	36%	0.36	S	S	*	.	H	α-helix	trans	-66.3	-37.7	-178.2	0	0	0	0	0	113.5	S296 A302	S296-A298 VanDerWaalsContact C-N 3.32Å; S296-A298 PolarHBondContact O-N 3.03Å; A298-A302 WeakPolarHBondContact O-CB 3.49Å; A298-A302 PolarHBondContact O-N 3.06Å
299	K	87.9	Confident	88.1	Confident	143 Å²	143	60.4 Å²	60.4	62%	0.622	34%	0.338	S	S	*	.	H	α-helix	trans	-74.9	-42.4	-178.5	-72.9	-176.7	-180	-178.3	0	111.8	N295 S296 D297 A302 C303	N295-K299 HydrophobicContact CB-CB 4.36Å; N295-K299 HydrophobicContact CB-CD 4.43Å; S296-K299 PolarHBondContact O-N 3.26Å; S296-K299 VanDerWaalsContact O-N 3.08Å; S296-K299 WeakPolarHBondContact OG-CG 3.46Å; D297-K299 PolarHBondContact O-N 3.46Å; K299-A302 PolarHBondContact O-N 3.34Å; K299-C303 WeakPolarHBondContact O-CB 3.33Å; K299-C303 PolarHBondContact O-N 3.3Å
300	T	90.8	Very high	88.1	Confident	1 Å²	1	63 Å²	63	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-64.9	-44.6	177.4	-61	0	0	0	0	110.3	L203 L287 N293 S296 C303 L304	L203-T300 HydrophobicContact CD1-CG2 4.39Å; L287-T300 HydrophobicContact CD2-CG2 3.6Å; N293-T300 PolarHBondContact O-OG1 3.05Å; S296-T300 PolarHBondContact O-N 3.13Å; S296-T300 PolarHBondContact O-OG1 3.33Å; T300-C303 PolarHBondContact O-N 3.3Å; T300-L304 PolarHBondContact O-N 3.38Å
301	L	91	Very high	88.2	Confident	37 Å²	37	66.1 Å²	66.1	19%	0.194	36%	0.358	C	S	.	.	H	α-helix	trans	-60	-49.3	173.5	175.3	60.5	0	0	0	111.8	F90 L203 D297 C303 L304 Q305	F90-L301 HydrophobicContact CB-CD1 3.71Å; F90-L301 HydrophobicContact CD2-CD1 4.29Å; F90-L301 HydrophobicContact CG-CD1 4.44Å; L203-L301 HydrophobicContact CD2-CD1 3.9Å; D297-L301 VanDerWaalsContact O-CB 3.24Å; D297-L301 WeakPolarHBondContact O-CB 3.36Å; D297-L301 PolarHBondContact O-N 3.31Å; L301-C303 VanDerWaalsContact C-N 3.29Å; L301-C303 PolarHBondContact O-N 2.81Å; L301-L304 PolarHBondContact O-N 3.16Å; L301-L304 VanDerWaalsContact O-N 3.16Å; L301-Q305 HydrophobicContact CD1-CG 4.05Å; L301-Q305 HydrophobicContact CG-CG 4.44Å; L301-Q305 VanDerWaalsContact O-CG 3.31Å; L301-Q305 WeakPolarHBondContact O-CG 3.41Å; L301-Q305 PolarHBondContact O-N 3.42Å
302	A	91.4	Very high	88.2	Confident	40 Å²	40	60.1 Å²	60.1	33%	0.331	33%	0.326	S	S	.	.	H	α-helix	trans	-58.3	-41.4	178.9	0	0	0	0	0	111.8	A298 K299 Q305 H306	A298-A302 WeakPolarHBondContact O-CB 3.49Å; A298-A302 PolarHBondContact O-N 3.06Å; K299-A302 PolarHBondContact O-N 3.34Å; A302-Q305 PolarHBondContact O-N 2.92Å; A302-H306 PolarHBondContact O-ND1 3.45Å
303	C	93.9	Very high	88.3	Confident	45 Å²	45	62 Å²	62	30%	0.304	33%	0.334	S	S	.	.	H	α-helix	trans	-59.9	-51.1	174	179.7	0	0	0	0	111.9	C292 K299 T300 L301 Q305 H306 V307	C292-C303 WeakPolarHBondContact CA-SG 3.22Å; C292-C303 HydrophobicContact CB-CB 3.74Å; C292-C303 WeakPolarHBondContact CB-SG 3.47Å; C292-C303 WeakPolarHBondContact SG-CB 3.23Å; C292-C303 CovalentContact SG-SG 2.05Å; C292-C303 PolarHBondContact SG-SG 3.3Å; K299-C303 WeakPolarHBondContact O-CB 3.33Å; K299-C303 PolarHBondContact O-N 3.3Å; T300-C303 PolarHBondContact O-N 3.3Å; L301-C303 VanDerWaalsContact C-N 3.29Å; L301-C303 PolarHBondContact O-N 2.81Å; C303-Q305 PolarHBondContact O-N 3.48Å; C303-H306 PolarHBondContact O-N 3.19Å; C303-V307 PolarHBondContact O-N 3.36Å
304	L	94.2	Very high	88.8	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-31.1	-179.6	-80.6	178.7	0	0	0	113.5	R89 F90 L196 L203 L286 L287 C292 T300 L301 H306 V307	R89-L304 PolarHBondContact NH1-O 2.96Å; F90-L304 HydrophobicContact CD2-CB 4.07Å; F90-L304 HydrophobicContact CE2-CB 3.74Å; F90-L304 HydrophobicContact CE2-CD1 4.36Å; L196-L304 HydrophobicContact CD1-CD1 4.22Å; L196-L304 HydrophobicContact CD2-CD1 4.26Å; L203-L304 HydrophobicContact CD1-CD1 3.52Å; L203-L304 HydrophobicContact CD2-CD1 4.42Å; L286-L304 HydrophobicContact CD2-CD2 3.91Å; L287-L304 HydrophobicContact CD2-CD1 3.72Å; L287-L304 HydrophobicContact CD2-CD2 3.98Å; L287-L304 HydrophobicContact CD2-CG 3.94Å; C292-L304 HydrophobicContact CB-CD2 4.18Å; C292-L304 HydrophobicContact CB-CG 4.16Å; C292-L304 PolarHBondContact SG-N 3.05Å; T300-L304 PolarHBondContact O-N 3.38Å; L301-L304 PolarHBondContact O-N 3.16Å; L301-L304 VanDerWaalsContact O-N 3.16Å; L304-H306 PolarHBondContact O-N 2.83Å; L304-V307 HydrophobicContact CD2-CG2 4.44Å; L304-V307 PolarHBondContact O-N 3.33Å
305	Q	94.7	Very high	89.4	Confident	33 Å²	33	58.2 Å²	58.2	15%	0.154	32%	0.322	C	S	.	.	H	α-helix	trans	-67.6	-22	175.3	-72.1	178.6	-28.4	0	0	112.9	E87 R89 L301 A302 C303	E87-Q305 VanDerWaalsContact C-NE2 3.29Å; E87-Q305 PolarHBondContact O-NE2 3.47Å; R89-Q305 HydrophobicContact CB-CG 4.3Å; R89-Q305 PolarHBondContact NH1-O 3.08Å; R89-Q305 PolarHBondContact O-NE2 3.46Å; L301-Q305 HydrophobicContact CD1-CG 4.05Å; L301-Q305 HydrophobicContact CG-CG 4.44Å; L301-Q305 VanDerWaalsContact O-CG 3.31Å; L301-Q305 WeakPolarHBondContact O-CG 3.41Å; L301-Q305 PolarHBondContact O-N 3.42Å; A302-Q305 PolarHBondContact O-N 2.92Å; C303-Q305 PolarHBondContact O-N 3.48Å
306	H	95.3	Very high	90.5	Very high	163 Å²	163	52.6 Å²	52.6	76%	0.755	29%	0.292	S	S	*	.	H	α-helix	trans	-95.2	-10.1	176.8	-68.1	83.9	0	0	0	114	A302 C303 L304 S308	A302-H306 PolarHBondContact O-ND1 3.45Å; C303-H306 PolarHBondContact O-N 3.19Å; L304-H306 PolarHBondContact O-N 2.83Å; H306-S308 PolarHBondContact O-N 3.37Å
307	V	96.1	Very high	91.3	Very high	6 Å²	6	54.5 Å²	54.5	4%	0.036	29%	0.294	C	S	.	.	S	Bend	trans	-63.8	131	174.8	172.6	0	0	0	0	109.5	R89 T290 C303 L304 Q311 M312	R89-V307 PolarHBondContact NH1-O 2.64Å; T290-V307 HydrophobicContact CG2-CG1 3.95Å; T290-V307 HydrophobicContact CG2-CG2 4.13Å; C303-V307 PolarHBondContact O-N 3.36Å; L304-V307 HydrophobicContact CD2-CG2 4.44Å; L304-V307 PolarHBondContact O-N 3.33Å; V307-Q311 HydrophobicContact CG1-CB 4.07Å; V307-Q311 HydrophobicContact CG1-CG 4.12Å; V307-M312 HydrophobicContact CB-CE 4.47Å; V307-M312 HydrophobicContact CG1-CB 4.33Å; V307-M312 HydrophobicContact CG1-CE 4.12Å
308	S	96.2	Very high	91.9	Very high	56 Å²	56	54.1 Å²	54.1	39%	0.392	30%	0.295	S	S	.	.			trans	-71.8	156.5	178.6	73.9	0	0	0	0	111.9	H306 D310 Q311 M312	H306-S308 PolarHBondContact O-N 3.37Å; S308-D310 VanDerWaalsContact C-N 3.26Å; S308-D310 PolarHBondContact O-N 3.36Å; S308-Q311 PolarHBondContact O-N 3.31Å; S308-Q311 VanDerWaalsContact OG-CB 3.28Å; S308-Q311 WeakPolarHBondContact OG-CB 3.48Å; S308-Q311 PolarHBondContact OG-N 3.04Å; S308-M312 PolarHBondContact O-N 2.98Å
309	V	94.3	Very high	92	Very high	30 Å²	30	51.1 Å²	51.1	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-57.5	-42.7	174.3	170.3	0	0	0	0	110.8	I113 E129 M312 K313	I113-V309 HydrophobicContact CD1-CG1 3.88Å; I113-V309 HydrophobicContact CD1-CG2 4.36Å; I113-V309 HydrophobicContact CG1-CG1 4.07Å; I113-V309 HydrophobicContact CG1-CG2 4.32Å; I113-V309 HydrophobicContact CG2-CG1 3.68Å; E129-V309 HydrophobicContact CG-CG2 4.06Å; E129-V309 WeakPolarHBondContact OE1-CG2 3.45Å; V309-M312 WeakPolarHBondContact O-CB 3.36Å; V309-M312 PolarHBondContact O-N 3.3Å; V309-K313 HydrophobicContact CG1-CD 4.32Å; V309-K313 HydrophobicContact CG1-CG 4.47Å; V309-K313 WeakPolarHBondContact O-CG 3.44Å; V309-K313 PolarHBondContact O-N 3.43Å
310	D	92.8	Very high	91.7	Very high	108 Å²	108	44.3 Å²	44.3	58%	0.578	24%	0.239	S	C	*	.	H	α-helix	trans	-64.9	-41.7	179.6	-61.4	-29.4	0	0	0	111.8	S308 M312 K313 N314	S308-D310 VanDerWaalsContact C-N 3.26Å; S308-D310 PolarHBondContact O-N 3.36Å; D310-M312 VanDerWaalsContact C-N 3.3Å; D310-M312 PolarHBondContact O-N 3.02Å; D310-K313 PolarHBondContact O-N 3.24Å; D310-N314 WeakPolarHBondContact O-CB 3.25Å; D310-N314 PolarHBondContact O-N 3.45Å; D310-N314 PolarHBondContact O-ND2 3.45Å
311	Q	95.1	Very high	91.1	Very high	73 Å²	73	46.3 Å²	46.3	34%	0.341	25%	0.249	S	C	.	.	H	α-helix	trans	-60.3	-43.2	174.1	-174.6	-179.6	8.6	0	0	110.8	V307 S308 N314 V315	V307-Q311 HydrophobicContact CG1-CB 4.07Å; V307-Q311 HydrophobicContact CG1-CG 4.12Å; S308-Q311 PolarHBondContact O-N 3.31Å; S308-Q311 VanDerWaalsContact OG-CB 3.28Å; S308-Q311 WeakPolarHBondContact OG-CB 3.48Å; S308-Q311 PolarHBondContact OG-N 3.04Å; Q311-N314 PolarHBondContact O-N 3.07Å; Q311-V315 WeakPolarHBondContact O-CG2 3.49Å; Q311-V315 PolarHBondContact O-N 3.23Å
312	M	93.5	Very high	90.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-65.5	-40.7	178.9	-164	170.9	-70.6	0	0	112.6	F90 F115 P192 I193 L286 V307 S308 V309 D310 W316	F90-M312 HydrophobicContact CE2-CE 4.25Å; F90-M312 HydrophobicContact CZ-CE 3.73Å; F90-M312 HydrophobicContact CZ-SD 4.4Å; F115-M312 HydrophobicContact CE1-CB 4.49Å; F115-M312 HydrophobicContact CE1-CG 4.04Å; F115-M312 HydrophobicContact CZ-CG 4.34Å; F115-M312 HydrophobicContact CZ-SD 4.28Å; P192-M312 HydrophobicContact CB-CG 4.38Å; P192-M312 HydrophobicContact CB-SD 4.03Å; P192-M312 HydrophobicContact CG-CG 3.75Å; P192-M312 HydrophobicContact CG-SD 3.74Å; I193-M312 HydrophobicContact CD1-SD 4.13Å; I193-M312 HydrophobicContact CG1-SD 3.51Å; I193-M312 VanDerWaalsContact CG1-SD 3.51Å; L286-M312 HydrophobicContact CD1-CG 4.27Å; V307-M312 HydrophobicContact CB-CE 4.47Å; V307-M312 HydrophobicContact CG1-CB 4.33Å; V307-M312 HydrophobicContact CG1-CE 4.12Å; S308-M312 PolarHBondContact O-N 2.98Å; V309-M312 WeakPolarHBondContact O-CB 3.36Å; V309-M312 PolarHBondContact O-N 3.3Å; D310-M312 VanDerWaalsContact C-N 3.3Å; D310-M312 PolarHBondContact O-N 3.02Å; M312-W316 WeakPolarHBondContact O-CB 3.48Å; M312-W316 PolarHBondContact O-N 2.53Å
313	K	91.8	Very high	89.6	Confident	42 Å²	42	46.3 Å²	46.3	18%	0.183	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-45.2	173.7	-76	-177.7	174.9	-176.5	0	111.6	Q114 F115 V309 D310 W316 K317	Q114-K313 WeakPolarHBondContact O-CE 3.46Å; F115-K313 HydrophobicContact CD1-CG 4.22Å; F115-K313 HydrophobicContact CE1-CG 4.03Å; V309-K313 HydrophobicContact CG1-CD 4.32Å; V309-K313 HydrophobicContact CG1-CG 4.47Å; V309-K313 WeakPolarHBondContact O-CG 3.44Å; V309-K313 PolarHBondContact O-N 3.43Å; D310-K313 PolarHBondContact O-N 3.24Å; K313-W316 PolarHBondContact O-N 2.98Å; K313-K317 WeakPolarHBondContact O-CB 3.43Å; K313-K317 PolarHBondContact O-N 3.16Å
314	N	91.4	Very high	88.5	Confident	102 Å²	102	44.8 Å²	44.8	55%	0.545	23%	0.233	S	C	.	.	H	α-helix	trans	-61.5	-46.7	178.4	-73	-23	0	0	0	111.3	D310 Q311 K317 T318	D310-N314 WeakPolarHBondContact O-CB 3.25Å; D310-N314 PolarHBondContact O-N 3.45Å; D310-N314 PolarHBondContact O-ND2 3.45Å; Q311-N314 PolarHBondContact O-N 3.07Å; N314-K317 PolarHBondContact O-N 2.98Å; N314-T318 PolarHBondContact O-N 2.98Å; N314-T318 PolarHBondContact O-OG1 3.02Å; N314-T318 VanDerWaalsContact O-OG1 3.08Å
315	V	91.4	Very high	87.4	Confident	15 Å²	15	50.7 Å²	50.7	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-50.1	175.2	169.7	0	0	0	0	110.5	L286 A289 T290 Q311 K317 T318 L319	L286-V315 HydrophobicContact CB-CG1 4.25Å; L286-V315 HydrophobicContact CG-CG1 4Å; A289-V315 HydrophobicContact CB-CB 4.44Å; A289-V315 HydrophobicContact CB-CG1 3.66Å; A289-V315 HydrophobicContact CB-CG2 3.9Å; T290-V315 HydrophobicContact CG2-CG2 4.07Å; Q311-V315 WeakPolarHBondContact O-CG2 3.49Å; Q311-V315 PolarHBondContact O-N 3.23Å; V315-K317 PolarHBondContact O-N 3.49Å; V315-T318 PolarHBondContact O-N 2.97Å; V315-T318 VanDerWaalsContact O-N 3.12Å; V315-L319 HydrophobicContact CG1-CD1 4.36Å; V315-L319 HydrophobicContact CG1-CG 4.37Å; V315-L319 WeakPolarHBondContact O-CG 3.32Å; V315-L319 PolarHBondContact O-N 2.78Å
316	W	91.1	Very high	85.9	Confident	3 Å²	3	53.3 Å²	53.3	1%	0.011	27%	0.273	C	S	.	.	H	α-helix	trans	-54.1	-43.2	177.1	-176.1	103.4	0	0	0	111.9	F115 Q160 M312 K313 L319 A320 Y347 F348	F115-W316 HydrophobicContact CB-CD2 3.86Å; F115-W316 HydrophobicContact CB-CE3 4.44Å; F115-W316 HydrophobicContact CB-CG 4.06Å; F115-W316 HydrophobicContact CB-CZ2 4.18Å; F115-W316 HydrophobicContact CD1-CB 3.9Å; F115-W316 AromaticContact CD1-CD1 3.9Å; F115-W316 HydrophobicContact CD1-CD2 4.4Å; F115-W316 AromaticContact CD1-CG 3.81Å; F115-W316 HydrophobicContact CD1-CG 3.81Å; F115-W316 HydrophobicContact CG-CG 4.32Å; Q160-W316 HydrophobicContact CG-CZ2 4.2Å; M312-W316 WeakPolarHBondContact O-CB 3.48Å; M312-W316 PolarHBondContact O-N 2.53Å; K313-W316 PolarHBondContact O-N 2.98Å; W316-L319 PolarHBondContact O-N 3.32Å; W316-A320 HydrophobicContact CZ3-CB 4.21Å; W316-A320 PolarHBondContact O-N 2.75Å; W316-A320 VanDerWaalsContact O-N 3.1Å; W316-Y347 HydrophobicContact CD2-CD2 4.5Å; W316-Y347 AromaticContact CE2-CD2 3.65Å; W316-Y347 HydrophobicContact CH2-CD2 4.36Å; W316-Y347 HydrophobicContact CH2-CE2 4.19Å; W316-Y347 AromaticContact CZ2-CD2 3.59Å; W316-Y347 HydrophobicContact CZ2-CD2 3.59Å; W316-Y347 AromaticContact CZ2-CE2 3.87Å; W316-Y347 HydrophobicContact CZ2-CE2 3.87Å; W316-Y347 AromaticContact NE1-CD2 3.78Å; W316-F348 AromaticContact CD1-CD2 3.8Å; W316-F348 AromaticContact CD1-CE2 3.74Å
317	K	87.5	Confident	84.3	Confident	92 Å²	92	45.8 Å²	45.8	40%	0.4	24%	0.238	S	C	.	.	H	α-helix	trans	-66.2	-42.3	178.4	-171.5	174.7	-176.6	173.8	0	112	K313 N314 V315 A320 D321	K313-K317 WeakPolarHBondContact O-CB 3.43Å; K313-K317 PolarHBondContact O-N 3.16Å; N314-K317 PolarHBondContact O-N 2.98Å; V315-K317 PolarHBondContact O-N 3.49Å; K317-A320 WeakPolarHBondContact O-CB 3.22Å; K317-A320 PolarHBondContact O-N 2.78Å; K317-A320 VanDerWaalsContact O-N 3.17Å; K317-D321 WeakPolarHBondContact O-CB 3.47Å; K317-D321 PolarHBondContact O-N 3.3Å
318	T	87.1	Confident	82.6	Confident	74 Å²	74	48.2 Å²	48.2	45%	0.454	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-44.7	174.6	-58.1	0	0	0	0	111.7	N314 V315 A320 D321 D322	N314-T318 PolarHBondContact O-N 2.98Å; N314-T318 PolarHBondContact O-OG1 3.02Å; N314-T318 VanDerWaalsContact O-OG1 3.08Å; V315-T318 PolarHBondContact O-N 2.97Å; V315-T318 VanDerWaalsContact O-N 3.12Å; T318-A320 PolarHBondContact O-N 3.42Å; T318-D321 PolarHBondContact O-N 3.2Å; T318-D322 WeakPolarHBondContact O-CB 3.19Å; T318-D322 VanDerWaalsContact O-CG 3.27Å; T318-D322 PolarHBondContact O-N 2.91Å
319	L	83.7	Confident	80.7	Confident	9 Å²	9	48.5 Å²	48.5	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-56.5	-43.3	175.5	-61.1	-179.8	0	0	0	110.8	R285 L286 V315 W316 D323	R285-L319 HydrophobicContact CB-CD1 4.29Å; R285-L319 HydrophobicContact CB-CD2 3.49Å; R285-L319 VanDerWaalsContact CB-CD2 3.49Å; R285-L319 HydrophobicContact CG-CD2 4.33Å; R285-L319 PolarHBondContact NH2-O 2.86Å; L286-L319 HydrophobicContact CB-CD1 4.49Å; V315-L319 HydrophobicContact CG1-CD1 4.36Å; V315-L319 HydrophobicContact CG1-CG 4.37Å; V315-L319 WeakPolarHBondContact O-CG 3.32Å; V315-L319 PolarHBondContact O-N 2.78Å; W316-L319 PolarHBondContact O-N 3.32Å; L319-D323 PolarHBondContact O-N 3.09Å; L319-D323 VanDerWaalsContact O-OD2 3.09Å
320	A	81.5	Confident	78.8	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-69.2	-42	179.1	0	0	0	0	0	114.1	Y117 W316 K317 T318 D322 D323 L324 Y347	Y117-A320 HydrophobicContact CD2-CB 4Å; W316-A320 HydrophobicContact CZ3-CB 4.21Å; W316-A320 PolarHBondContact O-N 2.75Å; W316-A320 VanDerWaalsContact O-N 3.1Å; K317-A320 WeakPolarHBondContact O-CB 3.22Å; K317-A320 PolarHBondContact O-N 2.78Å; K317-A320 VanDerWaalsContact O-N 3.17Å; T318-A320 PolarHBondContact O-N 3.42Å; A320-D322 VanDerWaalsContact C-N 3.33Å; A320-D322 PolarHBondContact O-N 2.95Å; A320-D323 PolarHBondContact O-N 2.96Å; A320-L324 WeakPolarHBondContact O-CB 3.35Å; A320-L324 WeakPolarHBondContact O-CG 3.48Å; A320-L324 PolarHBondContact O-N 3.22Å; A320-Y347 WeakPolarHBondContact CA-OH 3.09Å; A320-Y347 HydrophobicContact CB-CE2 3.56Å; A320-Y347 VanDerWaalsContact CB-OH 3.32Å; A320-Y347 WeakPolarHBondContact CB-OH 3.43Å
321	D	79.8	Confident	76.8	Confident	42 Å²	42	51.4 Å²	51.4	23%	0.225	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-41.3	175.7	-86.4	-41.9	0	0	0	111.7	Y117 K317 T318 D323 L324 K325	Y117-D321 WeakPolarHBondContact CE2-OD1 3.4Å; Y117-D321 VanDerWaalsContact CZ-OD1 3.26Å; Y117-D321 PolarHBondContact OH-OD1 3.48Å; K317-D321 WeakPolarHBondContact O-CB 3.47Å; K317-D321 PolarHBondContact O-N 3.3Å; T318-D321 PolarHBondContact O-N 3.2Å; D321-D323 VanDerWaalsContact C-N 3.33Å; D321-D323 PolarHBondContact O-N 3.16Å; D321-L324 PolarHBondContact O-N 3.41Å; D321-K325 VanDerWaalsContact O-CG 3.27Å; D321-K325 WeakPolarHBondContact O-CG 3.24Å; D321-K325 PolarHBondContact O-N 2.98Å
322	D	76.8	Confident	74.5	Confident	64 Å²	64	51.5 Å²	51.5	34%	0.342	27%	0.265	S	S	.	.	H	α-helix	trans	-64.8	-39.7	-179.9	-71.5	-15.5	0	0	0	111.7	T318 A320 K325 L326	T318-D322 WeakPolarHBondContact O-CB 3.19Å; T318-D322 VanDerWaalsContact O-CG 3.27Å; T318-D322 PolarHBondContact O-N 2.91Å; A320-D322 VanDerWaalsContact C-N 3.33Å; A320-D322 PolarHBondContact O-N 2.95Å; D322-K325 PolarHBondContact O-N 3.48Å; D322-K325 IonicContact OD1-NZ 3.03Å; D322-K325 PolarHBondContact OD1-NZ 3.25Å; D322-L326 WeakPolarHBondContact O-CG 3.44Å; D322-L326 PolarHBondContact O-N 3.42Å
323	D	73.5	Confident	72.4	Confident	13 Å²	13	60.8 Å²	60.8	7%	0.07	31%	0.308	C	S	.	.	H	α-helix	trans	-70.4	-36.4	175.8	-68.1	-41.6	0	0	0	111.9	R285 L319 A320 D321 L326 I327 N339 Y347	R285-D323 IonicContact CZ-OD2 2.94Å; R285-D323 IonicContact NH1-OD1 3.39Å; R285-D323 IonicContact NH1-OD2 3.38Å; R285-D323 PolarHBondContact NH1-OD2 3.36Å; R285-D323 IonicContact NH2-OD2 2.9Å; L319-D323 PolarHBondContact O-N 3.09Å; L319-D323 VanDerWaalsContact O-OD2 3.09Å; A320-D323 PolarHBondContact O-N 2.96Å; D321-D323 VanDerWaalsContact C-N 3.33Å; D321-D323 PolarHBondContact O-N 3.16Å; D323-L326 PolarHBondContact O-N 3.3Å; D323-I327 WeakPolarHBondContact O-CD1 3.46Å; D323-N339 HydrophobicContact CB-CB 3.92Å; D323-N339 WeakPolarHBondContact OD2-CB 3.39Å; D323-N339 PolarHBondContact OD2-ND2 2.91Å; D323-Y347 WeakPolarHBondContact OD2-CE1 3.5Å
324	L	71.1	Confident	70.2	Confident	13 Å²	13	66 Å²	66	7%	0.068	33%	0.33	C	S	.	.	H	α-helix	trans	-67.1	-36.5	172.8	-74.8	172.8	0	0	0	113.5	Y117 A320 D321 L326 I327 Y328 W393	Y117-L324 HydrophobicContact CD1-CD1 4.03Å; Y117-L324 HydrophobicContact CD2-CD1 3.88Å; Y117-L324 HydrophobicContact CE1-CD1 3.62Å; Y117-L324 HydrophobicContact CE2-CD1 3.46Å; Y117-L324 VanDerWaalsContact CE2-CD1 3.46Å; Y117-L324 HydrophobicContact CG-CD1 4.15Å; A320-L324 WeakPolarHBondContact O-CB 3.35Å; A320-L324 WeakPolarHBondContact O-CG 3.48Å; A320-L324 PolarHBondContact O-N 3.22Å; D321-L324 PolarHBondContact O-N 3.41Å; L324-L326 VanDerWaalsContact C-N 3.31Å; L324-L326 PolarHBondContact O-N 3.32Å; L324-I327 HydrophobicContact CD2-CD1 3.96Å; L324-I327 WeakPolarHBondContact O-CB 3.44Å; L324-I327 PolarHBondContact O-N 3.48Å; L324-I327 VanDerWaalsContact O-N 3.12Å; L324-Y328 HydrophobicContact CB-CE2 4.16Å; L324-Y328 WeakPolarHBondContact O-CD2 3.44Å; L324-Y328 PolarHBondContact O-N 2.98Å; L324-Y328 VanDerWaalsContact O-N 3.15Å; L324-W393 HydrophobicContact CD2-CH2 3.93Å; L324-W393 HydrophobicContact CD2-CZ2 4.21Å
325	K	70.2	Confident	68.3	Low	124 Å²	124	65.3 Å²	65.3	54%	0.539	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-38.8	175.9	-75.3	167.2	-165.2	158.8	0	111.9	D321 D322 I327 Y328 S329	D321-K325 VanDerWaalsContact O-CG 3.27Å; D321-K325 WeakPolarHBondContact O-CG 3.24Å; D321-K325 PolarHBondContact O-N 2.98Å; D322-K325 PolarHBondContact O-N 3.48Å; D322-K325 IonicContact OD1-NZ 3.03Å; D322-K325 PolarHBondContact OD1-NZ 3.25Å; K325-I327 PolarHBondContact O-N 2.7Å; K325-Y328 PolarHBondContact O-N 3.02Å; K325-S329 PolarHBondContact O-N 2.61Å; K325-S329 PolarHBondContact O-OG 3.38Å
326	L	64	Low	66.5	Low	89 Å²	89	65.2 Å²	65.2	47%	0.466	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-29	175.6	-68.8	170.4	0	0	0	112.3	D322 D323 L324 S329	D322-L326 WeakPolarHBondContact O-CG 3.44Å; D322-L326 PolarHBondContact O-N 3.42Å; D323-L326 PolarHBondContact O-N 3.3Å; L324-L326 VanDerWaalsContact C-N 3.31Å; L324-L326 PolarHBondContact O-N 3.32Å; L326-S329 PolarHBondContact O-OG 2.76Å; L326-S329 VanDerWaalsContact O-OG 3.09Å
327	I	61.9	Low	64.7	Low	4 Å²	4	70 Å²	70	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-74.7	-44.5	175.3	-66.9	152.4	0	0	0	111.1	D323 L324 K325 M336 P341 Y410	D323-I327 WeakPolarHBondContact O-CD1 3.46Å; L324-I327 HydrophobicContact CD2-CD1 3.96Å; L324-I327 WeakPolarHBondContact O-CB 3.44Å; L324-I327 PolarHBondContact O-N 3.48Å; L324-I327 VanDerWaalsContact O-N 3.12Å; K325-I327 PolarHBondContact O-N 2.7Å; I327-M336 HydrophobicContact CD1-CE 4.5Å; I327-M336 HydrophobicContact CG1-CE 4.06Å; I327-P341 HydrophobicContact CD1-CB 3.61Å; I327-P341 HydrophobicContact CD1-CG 3.43Å; I327-P341 VanDerWaalsContact CD1-CG 3.43Å; I327-P341 HydrophobicContact CG1-CG 4.12Å; I327-Y410 HydrophobicContact CG2-CE1 4.13Å
328	Y	58.9	Low	62.9	Low	57 Å²	57	71.3 Å²	71.3	22%	0.224	36%	0.359	C	S	.	.	H	α-helix	trans	-72.9	-27.4	-177.3	-64.6	-52.2	0	0	0	114.4	L324 K325 K330 L397 R402	L324-Y328 HydrophobicContact CB-CE2 4.16Å; L324-Y328 WeakPolarHBondContact O-CD2 3.44Å; L324-Y328 PolarHBondContact O-N 2.98Å; L324-Y328 VanDerWaalsContact O-N 3.15Å; K325-Y328 PolarHBondContact O-N 3.02Å; Y328-K330 VanDerWaalsContact C-N 3.26Å; Y328-K330 PolarHBondContact O-N 2.9Å; Y328-L397 HydrophobicContact CE1-CD1 3.78Å; Y328-L397 HydrophobicContact CE1-CD2 3.72Å; Y328-L397 HydrophobicContact CE1-CG 4.39Å; Y328-R402 HydrophobicContact CD1-CB 4.23Å; Y328-R402 VanDerWaalsContact CD1-CZ 3.41Å; Y328-R402 VanDerWaalsContact CD2-NH2 3.28Å; Y328-R402 VanDerWaalsContact CE1-NH2 3.25Å; Y328-R402 VanDerWaalsContact CE2-NH2 3.3Å; Y328-R402 VanDerWaalsContact CG-NH2 3.25Å; Y328-R402 VanDerWaalsContact CZ-NH2 3.28Å
329	S	57.3	Low	61.3	Low	63 Å²	63	68.3 Å²	68.3	44%	0.441	34%	0.341	S	S	.	.	S	Bend	trans	-67.8	92.7	168	59.2	0	0	0	0	107.2	K325 L326 L331	K325-S329 PolarHBondContact O-N 2.61Å; K325-S329 PolarHBondContact O-OG 3.38Å; L326-S329 PolarHBondContact O-OG 2.76Å; L326-S329 VanDerWaalsContact O-OG 3.09Å; S329-L331 WeakPolarHBondContact O-CA 3.49Å; S329-L331 PolarHBondContact O-N 3.47Å
330	K	53.8	Low	60	Low	161 Å²	161	68 Å²	68	70%	0.7	34%	0.339	S	S	*	.			trans	-21.9	97.2	175.4	-79.4	-177.5	175.8	-178.7	0	108.7	Y328 S332	Y328-K330 VanDerWaalsContact C-N 3.26Å; Y328-K330 PolarHBondContact O-N 2.9Å; K330-S332 PolarHBondContact O-N 2.96Å
331	L	52	Low	59	Low	37 Å²	37	68.1 Å²	68.1	19%	0.194	34%	0.34	C	S	.	.			trans	-42.9	107.9	-160.8	-78.2	163.4	0	0	0	108.2	S329 H333 M336 E409 Y410	S329-L331 WeakPolarHBondContact O-CA 3.49Å; S329-L331 PolarHBondContact O-N 3.47Å; L331-H333 PolarHBondContact O-N 3.07Å; L331-M336 HydrophobicContact CD1-CG 3.89Å; L331-M336 HydrophobicContact CD1-SD 3.98Å; L331-M336 HydrophobicContact CD2-CG 3.94Å; L331-E409 HydrophobicContact CD1-CG 4.35Å; L331-Y410 HydrophobicContact CD1-CE1 3.95Å
332	S	45.2	Very low	58.1	Low	76 Å²	76	68 Å²	68	53%	0.531	34%	0.337	S	S	.	.			trans	-73.7	63.5	-177.6	45.6	0	0	0	0	107.6	K330 K334	K330-S332 PolarHBondContact O-N 2.96Å; S332-K334 PolarHBondContact O-N 3.5Å
333	H	50	Low	57.2	Low	196 Å²	196	65 Å²	65	91%	0.907	32%	0.321	S	S	*	.	S	Bend	trans	51.5	9.4	-175.2	-56.5	-70.2	0	0	0	116	L331	L331-H333 PolarHBondContact O-N 3.07Å
334	K	46.7	Very low	56.2	Low	150 Å²	150	64.6 Å²	64.6	65%	0.652	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-86.2	128.8	178.6	-70.5	-173.8	-177.3	-178.2	0	109.3	S332	S332-K334 PolarHBondContact O-N 3.5Å
335	P	50.8	Low	55.9	Low	88 Å²	88	66 Å²	66	57%	0.571	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-60.3	146.5	174.8	24.2	-31.5	0	0	0	110.2
336	M	53.2	Low	56	Low	14 Å²	14	60.4 Å²	60.4	7%	0.069	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-67.3	139.1	177.7	-74.3	172.1	60.7	0	0	110.6	I327 L331 H340 P341 E409 Y410 F415	I327-M336 HydrophobicContact CD1-CE 4.5Å; I327-M336 HydrophobicContact CG1-CE 4.06Å; L331-M336 HydrophobicContact CD1-CG 3.89Å; L331-M336 HydrophobicContact CD1-SD 3.98Å; L331-M336 HydrophobicContact CD2-CG 3.94Å; M336-H340 HydrophobicContact CE-CB 4.49Å; M336-H340 WeakPolarHBondContact CE-CD2 3.19Å; M336-P341 HydrophobicContact CE-CG 4.02Å; M336-E409 HydrophobicContact CG-CG 4.04Å; M336-E409 PolarHBondContact N-OE1 2.86Å; M336-E409 HydrophobicContact SD-CG 3.72Å; M336-Y410 HydrophobicContact SD-CD1 4.08Å; M336-Y410 HydrophobicContact SD-CE1 4.21Å; M336-F415 WeakPolarHBondContact O-CD1 3.39Å
337	N	53.1	Low	56.9	Low	102 Å²	102	56.2 Å²	56.2	55%	0.545	28%	0.279	S	S	.	.			trans	-73.1	175.2	173.3	-88.6	-15.3	0	0	0	111.5	N339 F415	N337-N339 PolarHBondContact O-N 2.84Å; N337-F415 WeakPolarHBondContact O-CD1 3.32Å; N337-F415 WeakPolarHBondContact O-CE1 3.39Å
338	Y	51.2	Low	58.4	Low	120 Å²	120	56 Å²	56	47%	0.471	28%	0.278	S	S	.	.	S	Bend	trans	-52.1	-18	-173.2	-58.4	-79.7	0	0	0	116.3	L281 H340 F415	L281-Y338 HydrophobicContact CD1-CD2 3.8Å; L281-Y338 HydrophobicContact CD1-CE2 4.09Å; L281-Y338 HydrophobicContact CD1-CG 4.3Å; Y338-H340 PolarHBondContact O-N 3.44Å; Y338-F415 HydrophobicContact CD1-CD2 4.05Å; Y338-F415 WeakPolarHBondContact O-CZ 3.45Å
339	N	51.7	Low	60.1	Low	12 Å²	12	53.3 Å²	53.3	6%	0.064	27%	0.268	C	S	.	.			trans	-98.4	60.3	179.9	-67.6	-36.8	0	0	0	112.2	N278 N282 R285 D323 N337 Y347	N278-N339 PolarHBondContact ND2-OD1 3.13Å; N278-N339 PolarHBondContact OD1-OD1 2.91Å; N282-N339 PolarHBondContact OD1-ND2 2.87Å; R285-N339 PolarHBondContact NH1-ND2 3.45Å; D323-N339 HydrophobicContact CB-CB 3.92Å; D323-N339 WeakPolarHBondContact OD2-CB 3.39Å; D323-N339 PolarHBondContact OD2-ND2 2.91Å; N337-N339 PolarHBondContact O-N 2.84Å; N339-Y347 HydrophobicContact CB-CE1 4.11Å
340	H	57.8	Low	62	Low	3 Å²	3	50.3 Å²	50.3	1%	0.014	25%	0.247	C	C	.	.			trans	-49.4	143	169.7	-170.6	-106.7	0	0	0	111.3	M336 Y338 F342 L343 A344 Y390 E409 Y410 P413 F415	M336-H340 HydrophobicContact CE-CB 4.49Å; M336-H340 WeakPolarHBondContact CE-CD2 3.19Å; Y338-H340 PolarHBondContact O-N 3.44Å; H340-F342 VanDerWaalsContact C-N 3.26Å; H340-F342 VanDerWaalsContact ND1-CB 3.35Å; H340-F342 WeakPolarHBondContact ND1-CB 3.44Å; H340-F342 PolarHBondContact ND1-N 2.78Å; H340-F342 PolarHBondContact O-N 3.39Å; H340-F342 VanDerWaalsContact O-N 3.12Å; H340-L343 HydrophobicContact CB-CB 4.19Å; H340-L343 HydrophobicContact CB-CD1 4.4Å; H340-L343 HydrophobicContact CB-CG 4.26Å; H340-L343 CarbonylContact O-C 3.43Å; H340-L343 WeakPolarHBondContact O-CA 3.38Å; H340-L343 WeakPolarHBondContact O-CB 3.32Å; H340-L343 PolarHBondContact O-N 3.36Å; H340-A344 WeakPolarHBondContact O-CB 3.48Å; H340-A344 PolarHBondContact O-N 2.77Å; H340-Y390 AromaticContact CE1-CZ 3.79Å; H340-Y390 PolarHBondContact CE1-OH 3.23Å; H340-E409 PolarHBondContact NE2-O 2.83Å; H340-Y410 PolarHBondContact CE1-O 2.72Å; H340-Y410 PolarHBondContact NE2-O 3.09Å; H340-Y410 VanDerWaalsContact NE2-O 3.09Å; H340-P413 HydrophobicContact CB-CG 4.32Å; H340-P413 WeakPolarHBondContact CD2-CB 3.29Å; H340-P413 VanDerWaalsContact CD2-CG 3.41Å; H340-P413 WeakPolarHBondContact CD2-CG 3.33Å; H340-F415 HydrophobicContact CB-CE1 3.68Å; H340-F415 HydrophobicContact CB-CZ 3.69Å
341	P	59.3	Low	64.1	Low	3 Å²	3	42.9 Å²	42.9	2%	0.019	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-29.3	-172.9	11.7	-15.6	0	0	0	113.8	I327 M336 L343 A344 Y390 W393	I327-P341 HydrophobicContact CD1-CB 3.61Å; I327-P341 HydrophobicContact CD1-CG 3.43Å; I327-P341 VanDerWaalsContact CD1-CG 3.43Å; I327-P341 HydrophobicContact CG1-CG 4.12Å; M336-P341 HydrophobicContact CE-CG 4.02Å; P341-L343 VanDerWaalsContact C-N 3.29Å; P341-L343 PolarHBondContact O-N 3.1Å; P341-A344 PolarHBondContact O-N 3.04Å; P341-Y390 HydrophobicContact CB-CE2 4Å; P341-Y390 HydrophobicContact CG-CE2 4.26Å; P341-Y390 WeakPolarHBondContact CG-OH 3.45Å; P341-W393 HydrophobicContact CB-CH2 3.84Å; P341-W393 HydrophobicContact CB-CZ3 3.62Å; P341-W393 HydrophobicContact CG-CZ3 4.21Å
342	F	61.6	Low	66.1	Low	38 Å²	38	42.2 Å²	42.2	17%	0.167	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-38.2	168.6	-178.6	-99.3	0	0	0	112.3	W272 H340 C387 Y390 V451 N455	W272-F342 AromaticContact CD1-CE1 3.85Å; H340-F342 VanDerWaalsContact C-N 3.26Å; H340-F342 VanDerWaalsContact ND1-CB 3.35Å; H340-F342 WeakPolarHBondContact ND1-CB 3.44Å; H340-F342 PolarHBondContact ND1-N 2.78Å; H340-F342 PolarHBondContact O-N 3.39Å; H340-F342 VanDerWaalsContact O-N 3.12Å; F342-C387 HydrophobicContact CE2-CB 4.38Å; F342-C387 WeakPolarHBondContact CE2-SG 3.41Å; F342-Y390 HydrophobicContact CB-CD1 4.23Å; F342-Y390 HydrophobicContact CB-CD2 4.1Å; F342-Y390 HydrophobicContact CB-CE1 3.95Å; F342-Y390 HydrophobicContact CB-CE2 3.86Å; F342-Y390 HydrophobicContact CB-CG 4.29Å; F342-Y390 AromaticContact CD2-CD1 3.93Å; F342-Y390 HydrophobicContact CD2-CD1 3.93Å; F342-Y390 HydrophobicContact CD2-CD2 4.21Å; F342-Y390 HydrophobicContact CD2-CE1 4.47Å; F342-Y390 AromaticContact CD2-CG 3.77Å; F342-Y390 HydrophobicContact CD2-CG 3.77Å; F342-Y390 HydrophobicContact CG-CD1 4.5Å; F342-Y390 VanDerWaalsContact N-CE2 3.29Å; F342-V451 HydrophobicContact CD2-CG1 4.03Å; F342-V451 HydrophobicContact CE2-CG1 4.19Å; F342-V451 HydrophobicContact CG-CG1 4.39Å; F342-N455 HydrophobicContact CD1-CB 4.38Å; F342-N455 HydrophobicContact CE1-CB 3.5Å; F342-N455 WeakPolarHBondContact CE1-OD1 3.34Å; F342-N455 HydrophobicContact CZ-CB 3.77Å
343	L	57.6	Low	68.4	Low	3 Å²	3	38.6 Å²	38.6	2%	0.016	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-9.4	177.5	-62.1	-175.9	0	0	0	113.5	W272 H340 P341 H345 T346 F415 R416	W272-L343 HydrophobicContact CB-CD2 3.48Å; W272-L343 VanDerWaalsContact CB-CD2 3.48Å; W272-L343 HydrophobicContact CG-CD2 4.32Å; H340-L343 HydrophobicContact CB-CB 4.19Å; H340-L343 HydrophobicContact CB-CD1 4.4Å; H340-L343 HydrophobicContact CB-CG 4.26Å; H340-L343 CarbonylContact O-C 3.43Å; H340-L343 WeakPolarHBondContact O-CA 3.38Å; H340-L343 WeakPolarHBondContact O-CB 3.32Å; H340-L343 PolarHBondContact O-N 3.36Å; P341-L343 VanDerWaalsContact C-N 3.29Å; P341-L343 PolarHBondContact O-N 3.1Å; L343-H345 PolarHBondContact O-N 2.9Å; L343-T346 WeakPolarHBondContact O-CA 3.4Å; L343-T346 WeakPolarHBondContact O-CB 3.4Å; L343-T346 PolarHBondContact O-N 3.36Å; L343-T346 PolarHBondContact O-OG1 2.89Å; L343-F415 HydrophobicContact CD1-CE2 4.32Å; L343-F415 HydrophobicContact CD1-CZ 4.04Å; L343-R416 VanDerWaalsContact CD1-NH2 3.26Å; L343-R416 VanDerWaalsContact CG-NH2 3.33Å
344	A	53.7	Low	70.3	Confident	3 Å²	3	38.4 Å²	38.4	3%	0.025	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	9.6	-177.1	0	0	0	0	0	112	H340 P341 Y347	H340-A344 WeakPolarHBondContact O-CB 3.48Å; H340-A344 PolarHBondContact O-N 2.77Å; P341-A344 PolarHBondContact O-N 3.04Å; A344-Y347 WeakPolarHBondContact CB-OH 3.36Å; A344-Y347 WeakPolarHBondContact O-CE2 3.45Å; A344-Y347 PolarHBondContact O-OH 2.88Å
345	H	64.9	Low	72.2	Confident	44 Å²	44	36 Å²	36	20%	0.204	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	8.9	166.4	-57.6	-59.3	0	0	0	111.6	W116 S158 Q160 L343	W116-H345 HydrophobicContact CH2-CB 4.03Å; W116-H345 HydrophobicContact CZ3-CB 3.94Å; S158-H345 WeakPolarHBondContact CB-O 3.4Å; Q160-H345 WeakPolarHBondContact CG-O 3.44Å; L343-H345 PolarHBondContact O-N 2.9Å
346	T	72.2	Confident	74	Confident	5 Å²	5	33.3 Å²	33.3	3%	0.031	14%	0.144	C	C	.	.			trans	-127.7	44	-174	64	0	0	0	0	111.3	W272 Q275 L343 F348 T349	W272-T346 HydrophobicContact CB-CG2 4.15Å; Q275-T346 PolarHBondContact NE2-O 2.85Å; Q275-T346 PolarHBondContact NE2-OG1 3.4Å; L343-T346 WeakPolarHBondContact O-CA 3.4Å; L343-T346 WeakPolarHBondContact O-CB 3.4Å; L343-T346 PolarHBondContact O-N 3.36Å; L343-T346 PolarHBondContact O-OG1 2.89Å; T346-F348 VanDerWaalsContact C-N 3.32Å; T346-F348 PolarHBondContact O-N 3.38Å; T346-T349 WeakPolarHBondContact O-CG2 3.35Å
347	Y	82.7	Confident	75.3	Confident	1 Å²	1	40.5 Å²	40.5	0%	0.004	18%	0.178	C	C	.	.	S	Bend	trans	-63.7	-37.7	-179.6	-65.3	-75.4	0	0	0	113.3	N282 W316 A320 D323 N339 A344	N282-Y347 WeakPolarHBondContact ND2-CA 3.35Å; N282-Y347 PolarHBondContact ND2-O 2.93Å; W316-Y347 HydrophobicContact CD2-CD2 4.5Å; W316-Y347 AromaticContact CE2-CD2 3.65Å; W316-Y347 HydrophobicContact CH2-CD2 4.36Å; W316-Y347 HydrophobicContact CH2-CE2 4.19Å; W316-Y347 AromaticContact CZ2-CD2 3.59Å; W316-Y347 HydrophobicContact CZ2-CD2 3.59Å; W316-Y347 AromaticContact CZ2-CE2 3.87Å; W316-Y347 HydrophobicContact CZ2-CE2 3.87Å; W316-Y347 AromaticContact NE1-CD2 3.78Å; A320-Y347 WeakPolarHBondContact CA-OH 3.09Å; A320-Y347 HydrophobicContact CB-CE2 3.56Å; A320-Y347 VanDerWaalsContact CB-OH 3.32Å; A320-Y347 WeakPolarHBondContact CB-OH 3.43Å; D323-Y347 WeakPolarHBondContact OD2-CE1 3.5Å; N339-Y347 HydrophobicContact CB-CE1 4.11Å; A344-Y347 WeakPolarHBondContact CB-OH 3.36Å; A344-Y347 WeakPolarHBondContact O-CE2 3.45Å; A344-Y347 PolarHBondContact O-OH 2.88Å
348	F	93.2	Very high	76.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-124	111.2	-177.9	-64.4	-86.9	0	0	0	108.8	Q160 P192 F195 L196 T279 N282 L286 W316 T346	Q160-F348 PolarHBondContact NE2-O 3.07Å; P192-F348 HydrophobicContact CB-CD1 4.07Å; P192-F348 HydrophobicContact CB-CD2 4.09Å; P192-F348 HydrophobicContact CB-CE1 3.93Å; P192-F348 HydrophobicContact CB-CE2 3.98Å; P192-F348 HydrophobicContact CB-CG 4.15Å; P192-F348 HydrophobicContact CB-CZ 3.9Å; P192-F348 HydrophobicContact CG-CD2 4.32Å; P192-F348 HydrophobicContact CG-CE2 4.24Å; F195-F348 HydrophobicContact CB-CB 3.95Å; L196-F348 HydrophobicContact CB-CD1 4.39Å; L196-F348 HydrophobicContact CB-CE1 4.39Å; T279-F348 HydrophobicContact CG2-CD1 4.24Å; N282-F348 HydrophobicContact CB-CE1 4.26Å; N282-F348 HydrophobicContact CB-CE2 4.35Å; N282-F348 HydrophobicContact CB-CZ 4.01Å; L286-F348 HydrophobicContact CB-CZ 4.2Å; L286-F348 HydrophobicContact CD1-CE1 4.31Å; L286-F348 HydrophobicContact CD1-CE2 4.32Å; L286-F348 HydrophobicContact CD1-CZ 3.65Å; W316-F348 AromaticContact CD1-CD2 3.8Å; W316-F348 AromaticContact CD1-CE2 3.74Å; T346-F348 VanDerWaalsContact C-N 3.32Å; T346-F348 PolarHBondContact O-N 3.38Å
349	T	95	Very high	78.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.193	C	C	.	.			trans	-137	170.9	-173	60.7	0	0	0	0	110.3	Y159 Q275 T279 T346	Y159-T349 HydrophobicContact CD2-CG2 4Å; Q275-T349 WeakPolarHBondContact CB-OG1 3.49Å; Q275-T349 PolarHBondContact N-OG1 3.47Å; T279-T349 PolarHBondContact OG1-N 3.02Å; T279-T349 VanDerWaalsContact OG1-N 3.11Å; T279-T349 PolarHBondContact OG1-O 3.48Å; T279-T349 PolarHBondContact OG1-OG1 3.27Å; T346-T349 WeakPolarHBondContact O-CG2 3.35Å
350	P	97.4	Very high	80.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.194	C	C	.	.			trans	-49.4	144.4	170	-30.9	35.5	0	0	0	114.5	Y159 F195 N206 L209 I247 A273 I274 Q275 I362	Y159-P350 HydrophobicContact CD1-CG 4.33Å; Y159-P350 HydrophobicContact CE1-CG 3.73Å; Y159-P350 HydrophobicContact CE2-CG 4.17Å; F195-P350 HydrophobicContact CD1-CG 4.22Å; F195-P350 HydrophobicContact CE1-CG 3.8Å; N206-P350 VanDerWaalsContact OD1-CA 3.26Å; N206-P350 WeakPolarHBondContact OD1-CA 3.47Å; L209-P350 HydrophobicContact CD1-CB 3.87Å; L209-P350 HydrophobicContact CD1-CG 3.94Å; L209-P350 HydrophobicContact CG-CG 4.33Å; I247-P350 HydrophobicContact CD1-CB 4.07Å; I247-P350 HydrophobicContact CD1-CG 4.02Å; A273-P350 WeakPolarHBondContact O-CD 3.38Å; A273-P350 WeakPolarHBondContact O-CG 3.49Å; I274-P350 CarbonylContact C-O 3.56Å; I274-P350 WeakPolarHBondContact CA-O 3.33Å; I274-P350 HydrophobicContact CG1-CB 4.15Å; I274-P350 WeakPolarHBondContact CG2-O 3.41Å; Q275-P350 PolarHBondContact N-O 3.12Å; Q275-P350 VanDerWaalsContact N-O 3.11Å; P350-I362 HydrophobicContact CB-CD1 3.78Å
351	V	96	Very high	82.5	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.03	19%	0.194	C	C	.	.			trans	-125.1	152.5	178.9	-54.1	0	0	0	0	111.5	N206 S276 T279 D353	N206-V351 PolarHBondContact ND2-O 3.27Å; N206-V351 PolarHBondContact OD1-N 2.81Å; S276-V351 WeakPolarHBondContact OG-CA 3.49Å; T279-V351 HydrophobicContact CG2-CG1 3.79Å; V351-D353 PolarHBondContact O-N 3.39Å
352	V	95.7	Very high	84.3	Confident	24 Å²	24	42.2 Å²	42.2	15%	0.145	19%	0.193	C	C	.	.			trans	-70.7	112.2	172.9	177.6	0	0	0	0	108.4	I274 S276 R354 I362	I274-V352 HydrophobicContact CG2-CG2 4.12Å; S276-V352 PolarHBondContact OG-N 3.31Å; V352-R354 HydrophobicContact CG1-CB 4.28Å; V352-I362 CarbonylContact C-O 3.48Å; V352-I362 WeakPolarHBondContact CA-O 3.48Å; V352-I362 HydrophobicContact CB-CG2 4.44Å; V352-I362 WeakPolarHBondContact CG1-O 3.46Å; V352-I362 HydrophobicContact CG2-CG2 3.98Å
353	D	93.6	Very high	85.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.196	C	C	.	.			trans	-107.7	35.3	-171.9	67.8	-17.2	0	0	0	113	N206 V351 Y355 R356 S360 I361 I362	N206-D353 PolarHBondContact ND2-OD2 3.28Å; V351-D353 PolarHBondContact O-N 3.39Å; D353-Y355 HydrophobicContact CB-CE1 4.36Å; D353-Y355 PolarHBondContact O-N 2.9Å; D353-R356 WeakPolarHBondContact O-CB 3.49Å; D353-R356 PolarHBondContact O-N 3.21Å; D353-R356 IonicContact OD2-CZ 3.36Å; D353-R356 IonicContact OD2-NH1 3.26Å; D353-R356 PolarHBondContact OD2-NH1 3.31Å; D353-S360 WeakPolarHBondContact O-CB 3.47Å; D353-S360 PolarHBondContact O-OG 2.84Å; D353-S360 WeakPolarHBondContact OD1-CB 3.47Å; D353-S360 PolarHBondContact OD1-OG 2.86Å; D353-I361 PolarHBondContact OD1-N 2.64Å; D353-I361 PolarHBondContact OD2-N 2.95Å; D353-I361 VanDerWaalsContact OD2-N 3.13Å; D353-I362 PolarHBondContact N-O 3.2Å; D353-I362 PolarHBondContact OD1-N 3.38Å
354	R	88.6	Confident	87.7	Confident	192 Å²	192	44 Å²	44	73%	0.725	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-22	-173.4	70.1	176.5	174.7	176.4	-2.4	116.7	V352 R356 P363	V352-R354 HydrophobicContact CG1-CB 4.28Å; R354-R356 PolarHBondContact O-N 3.32Å; R354-P363 WeakPolarHBondContact CB-O 3.29Å
355	Y	87.3	Confident	89.7	Confident	99 Å²	99	50 Å²	50	39%	0.388	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.2	179.8	58.8	-89.3	0	0	0	112.3	I199 P204 D353 E357	I199-Y355 HydrophobicContact CD1-CE1 4.38Å; I199-Y355 HydrophobicContact CG1-CE1 4.12Å; P204-Y355 WeakPolarHBondContact CA-OH 3.28Å; P204-Y355 HydrophobicContact CB-CE2 4.3Å; P204-Y355 VanDerWaalsContact CB-OH 3.23Å; P204-Y355 WeakPolarHBondContact CB-OH 3.26Å; P204-Y355 PolarHBondContact O-OH 2.89Å; P204-Y355 VanDerWaalsContact O-OH 3.1Å; D353-Y355 HydrophobicContact CB-CE1 4.36Å; D353-Y355 PolarHBondContact O-N 2.9Å; Y355-E357 VanDerWaalsContact C-N 3.34Å; Y355-E357 PolarHBondContact O-N 3.28Å; Y355-E357 VanDerWaalsContact O-N 3.15Å
356	R	88.8	Confident	91.2	Very high	31 Å²	31	48.9 Å²	48.9	12%	0.117	23%	0.23	C	C	.	.	S	Bend	trans	-83.9	77.7	173.2	-61.8	176.5	61.8	-150.6	3.1	109.4	Y92 E210 D353 R354 N358 E359 S360	Y92-R356 VanDerWaalsContact CZ-CZ 3.44Å; Y92-R356 PolarHBondContact OH-NE 3.01Å; Y92-R356 PolarHBondContact OH-NH1 2.83Å; E210-R356 IonicContact OE1-CZ 3.59Å; E210-R356 IonicContact OE1-NH1 3.86Å; E210-R356 PolarHBondContact OE1-NH1 3.39Å; E210-R356 VanDerWaalsContact OE1-NH1 3.09Å; E210-R356 IonicContact OE1-NH2 2.66Å; E210-R356 PolarHBondContact OE1-NH2 2.9Å; D353-R356 WeakPolarHBondContact O-CB 3.49Å; D353-R356 PolarHBondContact O-N 3.21Å; D353-R356 IonicContact OD2-CZ 3.36Å; D353-R356 IonicContact OD2-NH1 3.26Å; D353-R356 PolarHBondContact OD2-NH1 3.31Å; R354-R356 PolarHBondContact O-N 3.32Å; R356-N358 PolarHBondContact O-N 3.38Å; R356-E359 HydrophobicContact CB-CB 4.29Å; R356-E359 PolarHBondContact NH2-O 2.88Å; R356-E359 PolarHBondContact O-N 3.01Å; R356-E359 VanDerWaalsContact O-N 3.17Å; R356-S360 WeakPolarHBondContact O-CA 3.49Å; R356-S360 WeakPolarHBondContact O-CB 3.49Å; R356-S360 PolarHBondContact O-N 3.2Å
357	E	79.7	Confident	92.3	Very high	165 Å²	165	52.9 Å²	52.9	77%	0.771	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	133.6	179.6	-64.4	-174.5	179.6	0	0	111.2	Y355 E359	Y355-E357 VanDerWaalsContact C-N 3.34Å; Y355-E357 PolarHBondContact O-N 3.28Å; Y355-E357 VanDerWaalsContact O-N 3.15Å; E357-E359 PolarHBondContact O-N 2.93Å
358	N	83	Confident	93	Very high	160 Å²	160	58.2 Å²	58.2	86%	0.856	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	-17.3	-175	-55.1	-43.9	0	0	0	117	R356	R356-N358 PolarHBondContact O-N 3.38Å
359	E	90.7	Very high	93.2	Very high	104 Å²	104	58.2 Å²	58.2	49%	0.486	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-8.7	-178.5	-70.3	-60.8	148.9	0	0	113.9	K253 R356 E357	K253-E359 VanDerWaalsContact CD-O 3.26Å; K253-E359 WeakPolarHBondContact CD-O 3.48Å; K253-E359 PolarHBondContact NZ-O 3.35Å; K253-E359 IonicContact NZ-OE2 2.67Å; K253-E359 PolarHBondContact NZ-OE2 3.42Å; R356-E359 HydrophobicContact CB-CB 4.29Å; R356-E359 PolarHBondContact NH2-O 2.88Å; R356-E359 PolarHBondContact O-N 3.01Å; R356-E359 VanDerWaalsContact O-N 3.17Å; E357-E359 PolarHBondContact O-N 2.93Å
360	S	94.7	Very high	93.3	Very high	12 Å²	12	58.2 Å²	58.2	8%	0.084	27%	0.271	C	S	.	.			trans	-62.4	133.6	-179.6	170.4	0	0	0	0	111.7	D353 R356 I362 P363	D353-S360 WeakPolarHBondContact O-CB 3.47Å; D353-S360 PolarHBondContact O-OG 2.84Å; D353-S360 WeakPolarHBondContact OD1-CB 3.47Å; D353-S360 PolarHBondContact OD1-OG 2.86Å; R356-S360 WeakPolarHBondContact O-CA 3.49Å; R356-S360 WeakPolarHBondContact O-CB 3.49Å; R356-S360 PolarHBondContact O-N 3.2Å; S360-I362 PolarHBondContact OG-N 3.34Å; S360-I362 PolarHBondContact OG-O 3.37Å; S360-P363 WeakPolarHBondContact OG-CA 3.48Å; S360-P363 WeakPolarHBondContact OG-CB 3.45Å; S360-P363 VanDerWaalsContact OG-N 3.08Å
361	I	96.9	Very high	93.3	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-83.8	-41.7	172.9	-54.7	176.8	0	0	0	109.7	N206 L209 E210 I213 I247 S251 K253 D353 P363	N206-I361 HydrophobicContact CB-CD1 4.16Å; L209-I361 HydrophobicContact CB-CD1 3.59Å; L209-I361 HydrophobicContact CD1-CG2 4.16Å; E210-I361 HydrophobicContact CG-CD1 3.8Å; I213-I361 HydrophobicContact CD1-CD1 3.75Å; I213-I361 HydrophobicContact CD1-CG1 3.87Å; I213-I361 HydrophobicContact CD1-CG2 4.26Å; I247-I361 HydrophobicContact CG2-CG2 3.92Å; S251-I361 VanDerWaalsContact CB-O 3.24Å; S251-I361 WeakPolarHBondContact CB-O 3.28Å; S251-I361 PolarHBondContact OG-O 3.03Å; K253-I361 HydrophobicContact CD-CG1 4.18Å; D353-I361 PolarHBondContact OD1-N 2.64Å; D353-I361 PolarHBondContact OD2-N 2.95Å; D353-I361 VanDerWaalsContact OD2-N 3.13Å; I361-P363 WeakPolarHBondContact O-CD 3.3Å
362	I	97.1	Very high	93.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-123	80.6	-176	-52.5	174.5	0	0	0	108	L209 I247 I274 P350 V352 D353 S360 M364 M369	L209-I362 HydrophobicContact CD1-CD1 3.97Å; I247-I362 HydrophobicContact CD1-CD1 4.08Å; I247-I362 HydrophobicContact CG1-CD1 4.46Å; I247-I362 HydrophobicContact CG2-CD1 4Å; I247-I362 HydrophobicContact CG2-CG1 3.78Å; I274-I362 HydrophobicContact CD1-CD1 4Å; I274-I362 HydrophobicContact CD1-CG2 4.19Å; I274-I362 HydrophobicContact CG1-CD1 4.08Å; I274-I362 HydrophobicContact CG2-CD1 4.44Å; P350-I362 HydrophobicContact CB-CD1 3.78Å; V352-I362 CarbonylContact C-O 3.48Å; V352-I362 WeakPolarHBondContact CA-O 3.48Å; V352-I362 HydrophobicContact CB-CG2 4.44Å; V352-I362 WeakPolarHBondContact CG1-O 3.46Å; V352-I362 HydrophobicContact CG2-CG2 3.98Å; D353-I362 PolarHBondContact N-O 3.2Å; D353-I362 PolarHBondContact OD1-N 3.38Å; S360-I362 PolarHBondContact OG-N 3.34Å; S360-I362 PolarHBondContact OG-O 3.37Å; I362-M364 PolarHBondContact O-N 2.63Å; I362-M369 HydrophobicContact CG2-CE 4.44Å; I362-M369 HydrophobicContact CG2-SD 4.1Å
363	P	95	Very high	93.4	Very high	36 Å²	36	64.5 Å²	64.5	23%	0.234	31%	0.306	C	S	.	.			trans	-77.3	-7.9	-170.7	29.6	-36.8	0	0	0	114.3	P252 R354 S360 I361	P252-P363 HydrophobicContact CG-CG 4.15Å; R354-P363 WeakPolarHBondContact CB-O 3.29Å; S360-P363 WeakPolarHBondContact OG-CA 3.48Å; S360-P363 WeakPolarHBondContact OG-CB 3.45Å; S360-P363 VanDerWaalsContact OG-N 3.08Å; I361-P363 WeakPolarHBondContact O-CD 3.3Å
364	M	95.1	Very high	93.6	Very high	42 Å²	42	64.8 Å²	64.8	21%	0.207	31%	0.308	C	S	.	.	S	Bend	trans	-156.9	178.8	-174.5	64.6	-174.9	72.4	0	0	111	I362 K368 M369 E372	I362-M364 PolarHBondContact O-N 2.63Å; M364-K368 HydrophobicContact CG-CB 4.31Å; M364-K368 HydrophobicContact SD-CB 3.92Å; M364-K368 HydrophobicContact SD-CD 3.77Å; M364-K368 HydrophobicContact SD-CG 3.58Å; M364-K368 VanDerWaalsContact SD-CG 3.58Å; M364-M369 HydrophobicContact CG-CB 3.77Å; M364-M369 HydrophobicContact CG-CG 4.48Å; M364-M369 HydrophobicContact SD-CB 4.35Å; M364-E372 WeakPolarHBondContact CE-OE2 3.25Å
365	Q	95.3	Very high	94	Very high	129 Å²	129	58.6 Å²	58.6	60%	0.603	29%	0.285	S	S	*	.			trans	-60.8	143.3	177.8	-68.9	-59.6	-34.7	0	0	111.9	E367 K368 M369	Q365-E367 PolarHBondContact O-N 3.46Å; Q365-K368 PolarHBondContact O-N 3.19Å; Q365-K368 VanDerWaalsContact O-N 3.09Å; Q365-M369 PolarHBondContact O-N 2.77Å
366	P	96.2	Very high	94.4	Very high	22 Å²	22	55.1 Å²	55.1	14%	0.143	27%	0.273	C	S	.	.	H	α-helix	trans	-49	-50.7	-172.5	-32	37.3	0	0	0	114.4	V268 L269 I274 K368 M369 V370	V268-P366 HydrophobicContact CG1-CB 4.1Å; L269-P366 HydrophobicContact CD2-CB 4Å; I274-P366 HydrophobicContact CB-CG 4.12Å; I274-P366 HydrophobicContact CD1-CB 4.09Å; I274-P366 HydrophobicContact CD1-CG 3.64Å; I274-P366 HydrophobicContact CG1-CG 4.45Å; I274-P366 HydrophobicContact CG2-CG 4.35Å; P366-K368 PolarHBondContact O-N 2.84Å; P366-M369 WeakPolarHBondContact O-CB 3.32Å; P366-M369 PolarHBondContact O-N 2.72Å; P366-V370 WeakPolarHBondContact O-CG2 3.21Å; P366-V370 PolarHBondContact O-N 3.37Å
367	E	96.3	Very high	94.8	Very high	89 Å²	89	54.8 Å²	54.8	42%	0.416	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-41.8	-178.3	178.7	163.3	-167.5	0	0	112.7	L269 Q365 A371 K462 L466	L269-E367 HydrophobicContact CD2-CB 4.07Å; Q365-E367 PolarHBondContact O-N 3.46Å; E367-A371 VanDerWaalsContact O-CB 3.24Å; E367-A371 WeakPolarHBondContact O-CB 3.44Å; E367-A371 PolarHBondContact O-N 3.2Å; E367-K462 VanDerWaalsContact CD-CE 3.42Å; E367-K462 WeakPolarHBondContact OE1-CE 3.48Å; E367-K462 IonicContact OE1-NZ 2.73Å; E367-K462 PolarHBondContact OE1-NZ 3.46Å; E367-K462 WeakPolarHBondContact OE2-CE 3.47Å; E367-K462 IonicContact OE2-NZ 3.79Å; E367-K462 PolarHBondContact OE2-NZ 2.96Å; E367-L466 HydrophobicContact CG-CD1 4.09Å
368	K	97.3	Very high	95.7	Very high	113 Å²	113	46.9 Å²	46.9	49%	0.491	24%	0.238	S	C	.	.	H	α-helix	trans	-66.3	-41.9	176.2	-167.6	-177.5	173.8	177.9	0	110.9	M364 Q365 P366 V370 A371 E372	M364-K368 HydrophobicContact CG-CB 4.31Å; M364-K368 HydrophobicContact SD-CB 3.92Å; M364-K368 HydrophobicContact SD-CD 3.77Å; M364-K368 HydrophobicContact SD-CG 3.58Å; M364-K368 VanDerWaalsContact SD-CG 3.58Å; Q365-K368 PolarHBondContact O-N 3.19Å; Q365-K368 VanDerWaalsContact O-N 3.09Å; P366-K368 PolarHBondContact O-N 2.84Å; K368-V370 PolarHBondContact O-N 3.49Å; K368-A371 PolarHBondContact O-N 3.22Å; K368-E372 VanDerWaalsContact CE-CD 3.5Å; K368-E372 WeakPolarHBondContact CE-OE1 3.41Å; K368-E372 HydrophobicContact CG-CG 4.34Å; K368-E372 IonicContact NZ-OE1 2.81Å; K368-E372 WeakPolarHBondContact O-CB 3.4Å; K368-E372 WeakPolarHBondContact O-CG 3.2Å; K368-E372 PolarHBondContact O-N 3.03Å
369	M	96.8	Very high	96.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.6	-46.8	178.2	-172.2	173.7	77.1	0	0	111.5	I247 T250 V268 I362 M364 Q365 P366 N373	I247-M369 HydrophobicContact CG1-CE 4.5Å; I247-M369 HydrophobicContact CG2-CE 4.47Å; T250-M369 WeakPolarHBondContact OG1-CE 3.11Å; V268-M369 HydrophobicContact CG1-CE 3.83Å; I362-M369 HydrophobicContact CG2-CE 4.44Å; I362-M369 HydrophobicContact CG2-SD 4.1Å; M364-M369 HydrophobicContact CG-CB 3.77Å; M364-M369 HydrophobicContact CG-CG 4.48Å; M364-M369 HydrophobicContact SD-CB 4.35Å; Q365-M369 PolarHBondContact O-N 2.77Å; P366-M369 WeakPolarHBondContact O-CB 3.32Å; P366-M369 PolarHBondContact O-N 2.72Å; M369-N373 VanDerWaalsContact O-CB 3.27Å; M369-N373 WeakPolarHBondContact O-CB 3.41Å; M369-N373 PolarHBondContact O-N 3.49Å
370	V	97.9	Very high	96.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-48.7	175.9	179.2	0	0	0	0	110.6	T250 V268 L269 P366 K368 E372 A374 E463 L466 Y467	T250-V370 HydrophobicContact CG2-CB 4.42Å; T250-V370 HydrophobicContact CG2-CG1 4.48Å; T250-V370 HydrophobicContact CG2-CG2 4.18Å; V268-V370 HydrophobicContact CB-CG2 3.92Å; V268-V370 HydrophobicContact CG1-CG2 4.11Å; V268-V370 HydrophobicContact CG2-CG2 4.2Å; L269-V370 HydrophobicContact CD2-CG2 4.1Å; P366-V370 WeakPolarHBondContact O-CG2 3.21Å; P366-V370 PolarHBondContact O-N 3.37Å; K368-V370 PolarHBondContact O-N 3.49Å; V370-E372 VanDerWaalsContact C-N 3.25Å; V370-E372 PolarHBondContact O-N 3.22Å; V370-A374 HydrophobicContact CG1-CB 4.45Å; V370-A374 WeakPolarHBondContact O-CB 3.25Å; V370-A374 PolarHBondContact O-N 3.43Å; V370-E463 HydrophobicContact CG1-CG 4.08Å; V370-L466 HydrophobicContact CB-CD1 3.9Å; V370-L466 HydrophobicContact CG1-CB 3.69Å; V370-L466 HydrophobicContact CG1-CD1 3.77Å; V370-L466 HydrophobicContact CG1-CG 4.39Å; V370-Y467 HydrophobicContact CG1-CD2 3.88Å; V370-Y467 HydrophobicContact CG1-CE2 3.78Å
371	A	97.6	Very high	96.9	Very high	38 Å²	38	34.3 Å²	34.3	31%	0.314	17%	0.174	S	C	.	.	H	α-helix	trans	-61.3	-30.9	-178.1	0	0	0	0	0	113.4	E367 K368 L466 K470	E367-A371 VanDerWaalsContact O-CB 3.24Å; E367-A371 WeakPolarHBondContact O-CB 3.44Å; E367-A371 PolarHBondContact O-N 3.2Å; K368-A371 PolarHBondContact O-N 3.22Å; A371-L466 HydrophobicContact CB-CD1 4.49Å; A371-L466 HydrophobicContact CB-CD2 4.2Å; A371-K470 WeakPolarHBondContact O-CE 3.45Å; A371-K470 PolarHBondContact O-NZ 2.84Å; A371-K470 VanDerWaalsContact O-NZ 3.13Å
372	E	96.8	Very high	96.9	Very high	91 Å²	91	34.4 Å²	34.4	43%	0.425	17%	0.174	S	C	.	.	H	α-helix	trans	-90.9	-41.6	-179.2	-70.1	-177.3	-179.2	0	0	112.4	M364 K368 V370 K470	M364-E372 WeakPolarHBondContact CE-OE2 3.25Å; K368-E372 VanDerWaalsContact CE-CD 3.5Å; K368-E372 WeakPolarHBondContact CE-OE1 3.41Å; K368-E372 HydrophobicContact CG-CG 4.34Å; K368-E372 IonicContact NZ-OE1 2.81Å; K368-E372 WeakPolarHBondContact O-CB 3.4Å; K368-E372 WeakPolarHBondContact O-CG 3.2Å; K368-E372 PolarHBondContact O-N 3.03Å; V370-E372 VanDerWaalsContact C-N 3.25Å; V370-E372 PolarHBondContact O-N 3.22Å; E372-K470 PolarHBondContact O-NZ 3.22Å
373	N	97.1	Very high	96.9	Very high	31 Å²	31	34.4 Å²	34.4	17%	0.166	17%	0.174	C	C	.	.	H	α-helix	trans	-113.3	-2.3	-163.1	-59.5	-33.6	0	0	0	115.7	T250 M369 R375	T250-N373 WeakPolarHBondContact O-CB 3.34Å; T250-N373 PolarHBondContact O-ND2 3.01Å; M369-N373 VanDerWaalsContact O-CB 3.27Å; M369-N373 WeakPolarHBondContact O-CB 3.41Å; M369-N373 PolarHBondContact O-N 3.49Å; N373-R375 PolarHBondContact O-N 3.08Å; N373-R375 PolarHBondContact O-NH1 3.48Å
374	A	97.5	Very high	97	Very high	6 Å²	6	33.9 Å²	33.9	5%	0.05	17%	0.172	C	C	.	.			trans	-55.3	124.3	169.6	0	0	0	0	0	109.8	T250 V370 Y467 K470 L472	T250-A374 HydrophobicContact CG2-CB 4.42Å; V370-A374 HydrophobicContact CG1-CB 4.45Å; V370-A374 WeakPolarHBondContact O-CB 3.25Å; V370-A374 PolarHBondContact O-N 3.43Å; A374-Y467 HydrophobicContact CB-CD1 3.89Å; A374-Y467 HydrophobicContact CB-CD2 3.75Å; A374-Y467 HydrophobicContact CB-CE1 3.86Å; A374-Y467 HydrophobicContact CB-CE2 3.76Å; A374-Y467 HydrophobicContact CB-CG 3.83Å; A374-K470 HydrophobicContact CB-CG 4.31Å; A374-L472 HydrophobicContact CB-CD1 4.13Å
375	R	97	Very high	96.9	Very high	62 Å²	62	31.9 Å²	31.9	23%	0.234	16%	0.162	C	C	.	.			trans	-147.1	-6	-167.5	71.3	-167.4	174	-108.3	5.8	115.8	A249 S251 T254 N373	A249-R375 PolarHBondContact O-NH1 3.27Å; S251-R375 PolarHBondContact O-NH1 3.18Å; S251-R375 PolarHBondContact O-NH2 3.1Å; T254-R375 PolarHBondContact OG1-NH2 3.32Å; T254-R375 VanDerWaalsContact OG1-NH2 3.08Å; N373-R375 PolarHBondContact O-N 3.08Å; N373-R375 PolarHBondContact O-NH1 3.48Å
376	L	96	Very high	96.8	Very high	26 Å²	26	26 Å²	26	14%	0.136	13%	0.134	C	C	.	.	S	Bend	trans	-125.8	151.7	-173.2	-55.9	176.9	0	0	0	110.9	F258 R259 Y467	F258-L376 HydrophobicContact CD2-CD1 3.6Å; F258-L376 HydrophobicContact CE2-CD1 3.46Å; F258-L376 VanDerWaalsContact CE2-CD1 3.46Å; R259-L376 WeakPolarHBondContact O-CB 2.96Å; R259-L376 WeakPolarHBondContact O-CD2 3.5Å; L376-Y467 WeakPolarHBondContact O-CE1 3.22Å
377	P	96.7	Very high	96.7	Very high	24 Å²	24	25.1 Å²	25.1	16%	0.156	13%	0.129	C	C	.	.			trans	-51.5	139.1	165.9	-30.7	38	0	0	0	112.9	Y260 A261 P473 F543	Y260-P377 HydrophobicContact CD1-CB 3.62Å; Y260-P377 HydrophobicContact CD1-CG 3.6Å; Y260-P377 HydrophobicContact CE1-CB 4.02Å; Y260-P377 HydrophobicContact CE1-CG 3.59Å; Y260-P377 HydrophobicContact CG-CB 4.45Å; A261-P377 PolarHBondContact N-O 3.48Å; P377-P473 WeakPolarHBondContact CA-O 3.26Å; P377-P473 HydrophobicContact CB-CG 3.78Å; P377-P473 HydrophobicContact CG-CG 3.67Å; P377-F543 HydrophobicContact CB-CZ 4.35Å
378	L	98	Very high	96.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.4	-174.2	179.5	63.8	0	0	0	110.7	A261 M263 I380 Y467 P473 I474 Y475	A261-L378 HydrophobicContact CB-CD1 4.08Å; M263-L378 HydrophobicContact CB-CD1 4.48Å; M263-L378 HydrophobicContact CG-CD1 4.04Å; M263-L378 HydrophobicContact SD-CD1 3.63Å; L378-I380 HydrophobicContact CD1-CB 4.41Å; L378-I380 HydrophobicContact CD2-CB 4.13Å; L378-I380 HydrophobicContact CD2-CD1 4.35Å; L378-I380 HydrophobicContact CD2-CG2 4.11Å; L378-I380 HydrophobicContact CG-CB 4.06Å; L378-I380 HydrophobicContact CG-CG2 4.26Å; L378-Y467 HydrophobicContact CB-CD1 4.06Å; L378-Y467 HydrophobicContact CB-CE1 4.07Å; L378-Y467 HydrophobicContact CD2-CD1 4.12Å; L378-Y467 HydrophobicContact CD2-CD2 4.1Å; L378-Y467 HydrophobicContact CD2-CE1 4.16Å; L378-Y467 HydrophobicContact CD2-CE2 4.11Å; L378-Y467 HydrophobicContact CD2-CG 4.1Å; L378-P473 PolarHBondContact N-O 3.45Å; L378-P473 VanDerWaalsContact N-O 3.09Å; L378-I474 CarbonylContact O-C 3.6Å; L378-I474 VanDerWaalsContact O-CA 3.25Å; L378-I474 WeakPolarHBondContact O-CA 3.08Å; L378-Y475 PolarHBondContact O-N 3Å
379	M	98.2	Very high	95.9	Very high	6 Å²	6	17.5 Å²	17.5	3%	0.03	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.9	156.7	178.4	-177	-75.1	0	0	107.6	A261 V262 M263 Y475 F543 P549 W564	A261-M379 PolarHBondContact O-N 2.7Å; V262-M379 CarbonylContact C-O 3.54Å; V262-M379 VanDerWaalsContact CA-O 3.26Å; V262-M379 WeakPolarHBondContact CA-O 3.18Å; V262-M379 HydrophobicContact CB-CB 4.49Å; V262-M379 HydrophobicContact CG1-CB 4.19Å; V262-M379 HydrophobicContact CG1-CG 4.19Å; V262-M379 HydrophobicContact CG1-SD 4.01Å; V262-M379 HydrophobicContact CG2-CB 4.16Å; M263-M379 PolarHBondContact N-O 3.01Å; M379-Y475 WeakPolarHBondContact CA-O 3.42Å; M379-F543 HydrophobicContact CB-CD1 4.08Å; M379-F543 HydrophobicContact CB-CD2 4.19Å; M379-F543 HydrophobicContact CB-CE1 3.88Å; M379-F543 HydrophobicContact CB-CE2 4.01Å; M379-F543 HydrophobicContact CB-CG 4.23Å; M379-F543 HydrophobicContact CB-CZ 3.84Å; M379-F543 HydrophobicContact CE-CB 3.46Å; M379-F543 VanDerWaalsContact CE-CB 3.46Å; M379-F543 HydrophobicContact CE-CD1 4.34Å; M379-F543 HydrophobicContact CE-CD2 3.89Å; M379-F543 HydrophobicContact CE-CG 3.64Å; M379-P549 HydrophobicContact CE-CB 3.67Å; M379-P549 HydrophobicContact CE-CG 4.14Å; M379-W564 HydrophobicContact CE-CH2 4.39Å
380	I	98.1	Very high	95.5	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	141.4	-178.1	-174.2	166.1	0	0	0	109.5	M263 L378 A460 M464 I474 Y475 A476 Y477	M263-I380 HydrophobicContact CB-CB 4.39Å; M263-I380 HydrophobicContact CB-CD1 4.37Å; M263-I380 HydrophobicContact CB-CG1 4.04Å; M263-I380 HydrophobicContact CE-CD1 4.31Å; M263-I380 CarbonylContact O-C 3.54Å; M263-I380 VanDerWaalsContact O-CA 3.25Å; M263-I380 WeakPolarHBondContact O-CA 3.23Å; L378-I380 HydrophobicContact CD1-CB 4.41Å; L378-I380 HydrophobicContact CD2-CB 4.13Å; L378-I380 HydrophobicContact CD2-CD1 4.35Å; L378-I380 HydrophobicContact CD2-CG2 4.11Å; L378-I380 HydrophobicContact CG-CB 4.06Å; L378-I380 HydrophobicContact CG-CG2 4.26Å; I380-A460 HydrophobicContact CD1-CB 3.79Å; I380-A460 HydrophobicContact CG1-CB 4.2Å; I380-M464 HydrophobicContact CG2-CG 3.46Å; I380-M464 VanDerWaalsContact CG2-CG 3.46Å; I380-M464 HydrophobicContact CG2-SD 3.44Å; I380-M464 WeakPolarHBondContact CG2-SD 2.97Å; I380-I474 HydrophobicContact CG2-CG2 4.1Å; I380-Y475 PolarHBondContact N-O 2.74Å; I380-A476 CarbonylContact O-C 3.55Å; I380-A476 WeakPolarHBondContact O-CA 3.44Å; I380-Y477 WeakPolarHBondContact O-CD1 3.27Å; I380-Y477 PolarHBondContact O-N 2.84Å
381	G	97.5	Very high	95	Very high	3 Å²	3	18.6 Å²	18.6	3%	0.031	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	173.3	171.6	0	0	0	0	0	113.4	M263 R264 S265 Y477	M263-G381 PolarHBondContact O-N 2.97Å; R264-G381 CarbonylContact C-O 3.53Å; S265-G381 PolarHBondContact N-O 2.97Å; G381-Y477 CarbonylContact C-O 3.2Å; G381-Y477 VanDerWaalsContact CA-CE1 3.43Å; G381-Y477 WeakPolarHBondContact CA-O 3.27Å
382	T	98.1	Very high	94.5	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.012	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	170.4	-177.3	65.2	0	0	0	0	109.3	E386 I456 Y457 A460 Y477 Q478 F479	T382-E386 WeakPolarHBondContact CA-OE1 3.42Å; T382-E386 WeakPolarHBondContact CB-OE1 3.13Å; T382-I456 HydrophobicContact CG2-CG2 3.88Å; T382-Y457 HydrophobicContact CG2-CD2 4.1Å; T382-Y457 WeakPolarHBondContact OG1-CD2 3.39Å; T382-A460 HydrophobicContact CG2-CB 4.03Å; T382-Y477 PolarHBondContact N-O 2.81Å; T382-Y477 VanDerWaalsContact N-O 3.16Å; T382-Q478 CarbonylContact O-C 3.57Å; T382-Q478 VanDerWaalsContact O-CA 3.26Å; T382-Q478 WeakPolarHBondContact O-CA 3.27Å; T382-F479 PolarHBondContact O-N 3.36Å
383	T	97.5	Very high	93.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	162.4	162.7	68.2	0	0	0	0	109.9	G385 E386 F479 A500 A501	T383-G385 VanDerWaalsContact C-N 3.35Å; T383-E386 PolarHBondContact N-OE1 3.35Å; T383-E386 WeakPolarHBondContact OG1-CA 3.44Å; T383-E386 WeakPolarHBondContact OG1-CG 3.26Å; T383-E386 PolarHBondContact OG1-N 2.94Å; T383-E386 PolarHBondContact OG1-OE2 2.95Å; T383-F479 CarbonylContact C-O 3.35Å; T383-F479 VanDerWaalsContact CA-O 3.27Å; T383-F479 WeakPolarHBondContact CA-O 3.4Å; T383-F479 HydrophobicContact CG2-CB 4.31Å; T383-F479 HydrophobicContact CG2-CD1 4.4Å; T383-A500 WeakPolarHBondContact CB-O 3.32Å; T383-A500 PolarHBondContact OG1-O 2.64Å; T383-A501 WeakPolarHBondContact CG2-O 3.08Å; T383-A501 PolarHBondContact OG1-O 3.02Å
384	S	95.5	Very high	93.1	Very high	26 Å²	26	13.4 Å²	13.4	18%	0.182	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-25.7	179.2	52.4	0	0	0	0	113.5	F479 D480 G499 A500	S384-F479 PolarHBondContact N-O 2.85Å; S384-F479 PolarHBondContact OG-O 3.18Å; S384-D480 WeakPolarHBondContact CB-OD1 3.44Å; S384-D480 PolarHBondContact OG-OD1 2.5Å; S384-G499 VanDerWaalsContact OG-CA 3.23Å; S384-G499 WeakPolarHBondContact OG-CA 3.35Å; S384-A500 PolarHBondContact OG-N 2.91Å
385	G	93.8	Very high	92.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-124.4	43.4	-178	0	0	0	0	0	112.9	T383 C387 I388 A500 A501	T383-G385 VanDerWaalsContact C-N 3.35Å; G385-C387 PolarHBondContact O-N 3.44Å; G385-I388 WeakPolarHBondContact O-CB 3.18Å; G385-I388 WeakPolarHBondContact O-CD1 3.43Å; G385-I388 WeakPolarHBondContact O-CG1 3.4Å; G385-I388 PolarHBondContact O-N 3.12Å; G385-A500 CarbonylContact C-O 3.48Å; G385-A500 WeakPolarHBondContact CA-O 3.42Å; G385-A500 PolarHBondContact N-O 3.48Å; G385-A501 WeakPolarHBondContact O-CA 3.36Å
386	E	94	Very high	91.6	Very high	6 Å²	6	15.8 Å²	15.8	3%	0.028	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.4	-45.2	-179	-69.1	-71.8	-172	0	0	113.6	S265 T382 T383 T452 I456 H502	S265-E386 WeakPolarHBondContact CA-OE1 3.18Å; S265-E386 WeakPolarHBondContact CB-OE1 3.1Å; S265-E386 WeakPolarHBondContact CB-OE2 2.77Å; S265-E386 VanDerWaalsContact OG-CD 3.29Å; S265-E386 PolarHBondContact OG-OE1 2.91Å; S265-E386 PolarHBondContact OG-OE2 3.3Å; T382-E386 WeakPolarHBondContact CA-OE1 3.42Å; T382-E386 WeakPolarHBondContact CB-OE1 3.13Å; T383-E386 PolarHBondContact N-OE1 3.35Å; T383-E386 WeakPolarHBondContact OG1-CA 3.44Å; T383-E386 WeakPolarHBondContact OG1-CG 3.26Å; T383-E386 PolarHBondContact OG1-N 2.94Å; T383-E386 PolarHBondContact OG1-OE2 2.95Å; E386-T452 HydrophobicContact CB-CG2 3.85Å; E386-T452 HydrophobicContact CG-CG2 3.89Å; E386-T452 PolarHBondContact N-OG1 3.01Å; E386-I456 HydrophobicContact CB-CB 4.43Å; E386-I456 HydrophobicContact CB-CD1 3.89Å; E386-I456 HydrophobicContact CB-CG1 4.43Å; E386-I456 HydrophobicContact CG-CB 4.03Å; E386-I456 HydrophobicContact CG-CD1 4.05Å; E386-I456 HydrophobicContact CG-CG1 4.48Å; E386-I456 HydrophobicContact CG-CG2 3.96Å; E386-H502 WeakPolarHBondContact O-CB 3.44Å; E386-H502 IonicContact OE2-CE1 3.02Å; E386-H502 IonicContact OE2-CG 3.22Å; E386-H502 IonicContact OE2-ND1 2.83Å; E386-H502 PolarHBondContact OE2-ND1 3.13Å
387	C	92.3	Very high	90.8	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.02	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	20.3	-172.8	-58.3	0	0	0	0	114.8	F342 G385 A389 Y390 V391 V451 T452	F342-C387 HydrophobicContact CE2-CB 4.38Å; F342-C387 WeakPolarHBondContact CE2-SG 3.41Å; G385-C387 PolarHBondContact O-N 3.44Å; C387-A389 VanDerWaalsContact C-N 3.33Å; C387-A389 PolarHBondContact O-N 3.2Å; C387-Y390 PolarHBondContact O-N 3.33Å; C387-V391 PolarHBondContact O-N 3.25Å; C387-V391 VanDerWaalsContact O-N 3.12Å; C387-V451 HydrophobicContact CB-CB 3.81Å; C387-V451 HydrophobicContact CB-CG1 3.59Å; C387-T452 PolarHBondContact N-OG1 3.2Å
388	I	91.3	Very high	90	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-52	-48.8	177.5	-75.1	163.5	0	0	0	111.9	G385 Y390 V391 S392 I448 L491 A494 Q498 G499 A501	G385-I388 WeakPolarHBondContact O-CB 3.18Å; G385-I388 WeakPolarHBondContact O-CD1 3.43Å; G385-I388 WeakPolarHBondContact O-CG1 3.4Å; G385-I388 PolarHBondContact O-N 3.12Å; I388-Y390 VanDerWaalsContact C-N 3.32Å; I388-Y390 PolarHBondContact O-N 2.98Å; I388-V391 PolarHBondContact O-N 3.08Å; I388-S392 WeakPolarHBondContact O-CB 3.38Å; I388-S392 PolarHBondContact O-N 2.99Å; I388-S392 PolarHBondContact O-OG 3.11Å; I388-I448 HydrophobicContact CG1-CD1 4.1Å; I388-I448 HydrophobicContact CG1-CG2 4.04Å; I388-L491 HydrophobicContact CG2-CD1 4.45Å; I388-A494 HydrophobicContact CG2-CB 3.84Å; I388-Q498 HydrophobicContact CD1-CB 3.74Å; I388-Q498 HydrophobicContact CG1-CB 3.73Å; I388-G499 VanDerWaalsContact CD1-O 3.28Å; I388-G499 WeakPolarHBondContact CD1-O 3.12Å; I388-A501 HydrophobicContact CB-CB 4.24Å; I388-A501 HydrophobicContact CD1-CB 4.06Å
389	A	87.1	Confident	89.2	Confident	41 Å²	41	21.7 Å²	21.7	34%	0.339	12%	0.115	S	C	.	.	H	α-helix	trans	-62.2	-40.9	-175.6	0	0	0	0	0	111.9	C387 W393 L491	C387-A389 VanDerWaalsContact C-N 3.33Å; C387-A389 PolarHBondContact O-N 3.2Å; A389-W393 WeakPolarHBondContact O-CB 3.33Å; A389-W393 PolarHBondContact O-N 3.25Å; A389-L491 HydrophobicContact CB-CD1 4.5Å; A389-L491 HydrophobicContact CB-CD2 4.04Å
390	Y	87.1	Confident	88.3	Confident	23 Å²	23	25.6 Å²	25.6	9%	0.09	14%	0.136	C	C	.	.	H	α-helix	trans	-66.3	-51.7	179.4	174.8	-110	0	0	0	112.1	H340 P341 F342 C387 I388 S392 W393 L394 Y410 V451	H340-Y390 AromaticContact CE1-CZ 3.79Å; H340-Y390 PolarHBondContact CE1-OH 3.23Å; P341-Y390 HydrophobicContact CB-CE2 4Å; P341-Y390 HydrophobicContact CG-CE2 4.26Å; P341-Y390 WeakPolarHBondContact CG-OH 3.45Å; F342-Y390 HydrophobicContact CB-CD1 4.23Å; F342-Y390 HydrophobicContact CB-CD2 4.1Å; F342-Y390 HydrophobicContact CB-CE1 3.95Å; F342-Y390 HydrophobicContact CB-CE2 3.86Å; F342-Y390 HydrophobicContact CB-CG 4.29Å; F342-Y390 AromaticContact CD2-CD1 3.93Å; F342-Y390 HydrophobicContact CD2-CD1 3.93Å; F342-Y390 HydrophobicContact CD2-CD2 4.21Å; F342-Y390 HydrophobicContact CD2-CE1 4.47Å; F342-Y390 AromaticContact CD2-CG 3.77Å; F342-Y390 HydrophobicContact CD2-CG 3.77Å; F342-Y390 HydrophobicContact CG-CD1 4.5Å; F342-Y390 VanDerWaalsContact N-CE2 3.29Å; C387-Y390 PolarHBondContact O-N 3.33Å; I388-Y390 VanDerWaalsContact C-N 3.32Å; I388-Y390 PolarHBondContact O-N 2.98Å; Y390-S392 VanDerWaalsContact C-N 3.27Å; Y390-S392 PolarHBondContact O-N 2.9Å; Y390-W393 HydrophobicContact CD2-CE3 4.21Å; Y390-W393 HydrophobicContact CE2-CE3 4.06Å; Y390-W393 HydrophobicContact CE2-CZ3 4.03Å; Y390-W393 WeakPolarHBondContact O-CB 3.13Å; Y390-W393 PolarHBondContact O-N 3.31Å; Y390-W393 VanDerWaalsContact O-N 3.14Å; Y390-L394 HydrophobicContact CD1-CD1 4.21Å; Y390-L394 HydrophobicContact CE1-CD1 3.54Å; Y390-L394 HydrophobicContact CE1-CG 4.19Å; Y390-L394 HydrophobicContact CE2-CD1 4.39Å; Y390-L394 HydrophobicContact CE2-CD2 4.23Å; Y390-L394 HydrophobicContact CE2-CG 4.2Å; Y390-L394 PolarHBondContact O-N 2.78Å; Y390-Y410 PolarHBondContact OH-O 3.33Å; Y390-V451 HydrophobicContact CD1-CG1 3.98Å; Y390-V451 HydrophobicContact CD1-CG2 4.38Å; Y390-V451 HydrophobicContact CE1-CG1 4.34Å; Y390-V451 HydrophobicContact CE1-CG2 4.37Å
391	V	88.1	Confident	87.2	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.6	-33.8	-179.2	-179.2	0	0	0	0	111.2	C387 I388 L394 A395 M405 L447 I448 V451	C387-V391 PolarHBondContact O-N 3.25Å; C387-V391 VanDerWaalsContact O-N 3.12Å; I388-V391 PolarHBondContact O-N 3.08Å; V391-L394 PolarHBondContact O-N 3.41Å; V391-A395 WeakPolarHBondContact O-CB 3.45Å; V391-A395 PolarHBondContact O-N 3.02Å; V391-M405 HydrophobicContact CG1-CE 3.85Å; V391-L447 HydrophobicContact CG1-CB 3.84Å; V391-L447 HydrophobicContact CG1-CD1 4.42Å; V391-L447 HydrophobicContact CG2-CB 4.49Å; V391-I448 HydrophobicContact CB-CD1 4.45Å; V391-I448 HydrophobicContact CB-CG1 3.57Å; V391-I448 HydrophobicContact CG1-CG1 3.82Å; V391-I448 HydrophobicContact CG2-CB 4.46Å; V391-I448 HydrophobicContact CG2-CG1 3.77Å; V391-V451 HydrophobicContact CG2-CB 4.47Å; V391-V451 HydrophobicContact CG2-CG2 4.09Å
392	S	86.4	Confident	85.9	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-37.7	173.7	-60.6	0	0	0	0	112.5	I388 Y390 A395 F396 A494 I495	I388-S392 WeakPolarHBondContact O-CB 3.38Å; I388-S392 PolarHBondContact O-N 2.99Å; I388-S392 PolarHBondContact O-OG 3.11Å; Y390-S392 VanDerWaalsContact C-N 3.27Å; Y390-S392 PolarHBondContact O-N 2.9Å; S392-A395 PolarHBondContact O-N 3.27Å; S392-F396 WeakPolarHBondContact O-CB 3.42Å; S392-F396 PolarHBondContact O-N 3.4Å; S392-A494 VanDerWaalsContact OG-CA 3.29Å; S392-A494 WeakPolarHBondContact OG-CA 3.3Å; S392-A494 VanDerWaalsContact OG-CB 3.3Å; S392-A494 WeakPolarHBondContact OG-CB 3.29Å; S392-I495 PolarHBondContact OG-N 3.29Å; S392-I495 VanDerWaalsContact OG-N 3.11Å
393	W	83	Confident	84.8	Confident	49 Å²	49	37.3 Å²	37.3	19%	0.186	19%	0.19	C	C	.	.	H	α-helix	trans	-64.9	-41.5	172.7	173.2	74.7	0	0	0	111.7	L324 P341 A389 Y390 A395 F396 L397	L324-W393 HydrophobicContact CD2-CH2 3.93Å; L324-W393 HydrophobicContact CD2-CZ2 4.21Å; P341-W393 HydrophobicContact CB-CH2 3.84Å; P341-W393 HydrophobicContact CB-CZ3 3.62Å; P341-W393 HydrophobicContact CG-CZ3 4.21Å; A389-W393 WeakPolarHBondContact O-CB 3.33Å; A389-W393 PolarHBondContact O-N 3.25Å; Y390-W393 HydrophobicContact CD2-CE3 4.21Å; Y390-W393 HydrophobicContact CE2-CE3 4.06Å; Y390-W393 HydrophobicContact CE2-CZ3 4.03Å; Y390-W393 WeakPolarHBondContact O-CB 3.13Å; Y390-W393 PolarHBondContact O-N 3.31Å; Y390-W393 VanDerWaalsContact O-N 3.14Å; W393-A395 VanDerWaalsContact C-N 3.35Å; W393-A395 PolarHBondContact O-N 2.88Å; W393-F396 WeakPolarHBondContact O-CB 3.46Å; W393-F396 PolarHBondContact O-N 3.5Å; W393-L397 HydrophobicContact CD2-CD1 4Å; W393-L397 HydrophobicContact CD2-CG 4.48Å; W393-L397 HydrophobicContact CE3-CD1 4.18Å; W393-L397 HydrophobicContact CH2-CD1 3.7Å; W393-L397 HydrophobicContact CZ2-CD1 3.49Å; W393-L397 VanDerWaalsContact CZ2-CD1 3.49Å; W393-L397 HydrophobicContact CZ2-CG 4.45Å; W393-L397 HydrophobicContact CZ3-CD1 4.01Å; W393-L397 WeakPolarHBondContact O-CG 3.19Å; W393-L397 PolarHBondContact O-N 3.44Å
394	L	82.2	Confident	83.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.2	-42	173.2	-63.7	177.6	0	0	0	112.1	Y390 V391 F396 L397 A398 L403 M405	Y390-L394 HydrophobicContact CD1-CD1 4.21Å; Y390-L394 HydrophobicContact CE1-CD1 3.54Å; Y390-L394 HydrophobicContact CE1-CG 4.19Å; Y390-L394 HydrophobicContact CE2-CD1 4.39Å; Y390-L394 HydrophobicContact CE2-CD2 4.23Å; Y390-L394 HydrophobicContact CE2-CG 4.2Å; Y390-L394 PolarHBondContact O-N 2.78Å; V391-L394 PolarHBondContact O-N 3.41Å; L394-F396 VanDerWaalsContact C-N 3.34Å; L394-F396 PolarHBondContact O-N 3.35Å; L394-L397 PolarHBondContact O-N 2.91Å; L394-A398 PolarHBondContact O-N 3.2Å; L394-L403 HydrophobicContact CB-CD2 4.44Å; L394-L403 HydrophobicContact CD2-CD2 3.75Å; L394-M405 HydrophobicContact CB-CE 4.17Å; L394-M405 HydrophobicContact CB-SD 3.3Å; L394-M405 WeakPolarHBondContact CB-SD 3.27Å; L394-M405 HydrophobicContact CD1-SD 4.15Å; L394-M405 HydrophobicContact CG-SD 4.37Å
395	A	82.8	Confident	83	Confident	14 Å²	14	41.5 Å²	41.5	12%	0.116	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-43.8	175.6	0	0	0	0	0	111.5	V391 S392 W393 L397 A398 Q399 M405 I495	V391-A395 WeakPolarHBondContact O-CB 3.45Å; V391-A395 PolarHBondContact O-N 3.02Å; S392-A395 PolarHBondContact O-N 3.27Å; W393-A395 VanDerWaalsContact C-N 3.35Å; W393-A395 PolarHBondContact O-N 2.88Å; A395-L397 VanDerWaalsContact C-N 3.35Å; A395-L397 PolarHBondContact O-N 2.9Å; A395-A398 PolarHBondContact O-N 2.94Å; A395-Q399 WeakPolarHBondContact O-CG 3.33Å; A395-Q399 PolarHBondContact O-N 3Å; A395-M405 HydrophobicContact CB-CE 4.13Å; A395-I495 HydrophobicContact CB-CD1 4.29Å
396	F	80.7	Confident	82.3	Confident	104 Å²	104	49.3 Å²	49.3	46%	0.456	24%	0.244	S	C	.	.	H	α-helix	trans	-59.3	-44.2	173.8	172.6	-96.9	0	0	0	111.9	S392 W393 L394 A398 Q399 N400	S392-F396 WeakPolarHBondContact O-CB 3.42Å; S392-F396 PolarHBondContact O-N 3.4Å; W393-F396 WeakPolarHBondContact O-CB 3.46Å; W393-F396 PolarHBondContact O-N 3.5Å; L394-F396 VanDerWaalsContact C-N 3.34Å; L394-F396 PolarHBondContact O-N 3.35Å; F396-A398 VanDerWaalsContact C-N 3.35Å; F396-A398 PolarHBondContact O-N 3.22Å; F396-Q399 PolarHBondContact O-N 3.14Å; F396-N400 PolarHBondContact O-N 2.98Å; F396-N400 PolarHBondContact O-ND2 3.14Å
397	L	79.5	Confident	81.7	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-38.5	176.7	-69.8	-177.7	0	0	0	112.6	Y328 W393 L394 A395 N400 D401 R402 L403	Y328-L397 HydrophobicContact CE1-CD1 3.78Å; Y328-L397 HydrophobicContact CE1-CD2 3.72Å; Y328-L397 HydrophobicContact CE1-CG 4.39Å; W393-L397 HydrophobicContact CD2-CD1 4Å; W393-L397 HydrophobicContact CD2-CG 4.48Å; W393-L397 HydrophobicContact CE3-CD1 4.18Å; W393-L397 HydrophobicContact CH2-CD1 3.7Å; W393-L397 HydrophobicContact CZ2-CD1 3.49Å; W393-L397 VanDerWaalsContact CZ2-CD1 3.49Å; W393-L397 HydrophobicContact CZ2-CG 4.45Å; W393-L397 HydrophobicContact CZ3-CD1 4.01Å; W393-L397 WeakPolarHBondContact O-CG 3.19Å; W393-L397 PolarHBondContact O-N 3.44Å; L394-L397 PolarHBondContact O-N 2.91Å; A395-L397 VanDerWaalsContact C-N 3.35Å; A395-L397 PolarHBondContact O-N 2.9Å; L397-N400 CarbonylContact O-C 3.55Å; L397-N400 PolarHBondContact O-N 3.38Å; L397-D401 PolarHBondContact O-N 2.97Å; L397-R402 HydrophobicContact CB-CB 4.28Å; L397-R402 HydrophobicContact CD2-CB 4.45Å; L397-R402 WeakPolarHBondContact O-CB 3.39Å; L397-R402 PolarHBondContact O-N 3.47Å; L397-L403 HydrophobicContact CB-CD2 3.52Å; L397-L403 HydrophobicContact CB-CG 3.85Å; L397-L403 HydrophobicContact CD1-CD2 3.7Å; L397-L403 HydrophobicContact CG-CD2 4.28Å
398	A	79.8	Confident	81.2	Confident	22 Å²	22	52.6 Å²	52.6	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-40.6	176.8	0	0	0	0	0	112.8	L394 A395 F396 N400 D401 L403 M405	L394-A398 PolarHBondContact O-N 3.2Å; A395-A398 PolarHBondContact O-N 2.94Å; F396-A398 VanDerWaalsContact C-N 3.35Å; F396-A398 PolarHBondContact O-N 3.22Å; A398-N400 PolarHBondContact O-N 2.87Å; A398-N400 VanDerWaalsContact O-N 3.16Å; A398-D401 PolarHBondContact O-N 3.29Å; A398-L403 WeakPolarHBondContact CA-O 3.17Å; A398-L403 HydrophobicContact CB-CD1 3.86Å; A398-L403 HydrophobicContact CB-CG 4.38Å; A398-M405 HydrophobicContact CB-CB 4.18Å; A398-M405 HydrophobicContact CB-CG 3.5Å
399	Q	79.8	Confident	80.8	Confident	151 Å²	151	53 Å²	53	71%	0.706	26%	0.263	S	S	*	.	H	α-helix	trans	-61.4	-22	174.3	-73.2	175	-0.6	0	0	113.2	A395 F396	A395-Q399 WeakPolarHBondContact O-CG 3.33Å; A395-Q399 PolarHBondContact O-N 3Å; F396-Q399 PolarHBondContact O-N 3.14Å
400	N	78.9	Confident	80.5	Confident	87 Å²	87	51.3 Å²	51.3	47%	0.465	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	19.8	175.9	-70.3	-84.4	0	0	0	112.5	F396 L397 A398 R402	F396-N400 PolarHBondContact O-N 2.98Å; F396-N400 PolarHBondContact O-ND2 3.14Å; L397-N400 CarbonylContact O-C 3.55Å; L397-N400 PolarHBondContact O-N 3.38Å; A398-N400 PolarHBondContact O-N 2.87Å; A398-N400 VanDerWaalsContact O-N 3.16Å; N400-R402 HydrophobicContact CB-CG 4.05Å; N400-R402 VanDerWaalsContact O-CG 3.29Å; N400-R402 WeakPolarHBondContact O-CG 3.26Å; N400-R402 PolarHBondContact O-N 3.3Å; N400-R402 VanDerWaalsContact O-N 3.07Å
401	D	76.6	Confident	80.5	Confident	136 Å²	136	50.4 Å²	50.4	73%	0.727	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	24.3	-178.8	-72	-36.3	0	0	0	114.7	L397 A398	L397-D401 PolarHBondContact O-N 2.97Å; A398-D401 PolarHBondContact O-N 3.29Å
402	R	69	Low	80.4	Confident	102 Å²	102	50.4 Å²	50.4	39%	0.385	25%	0.245	S	C	.	.	S	Bend	trans	-89.5	-20	-178.1	-54.4	-170.2	67.7	-172.2	4.8	113.3	Y328 L397 N400	Y328-R402 HydrophobicContact CD1-CB 4.23Å; Y328-R402 VanDerWaalsContact CD1-CZ 3.41Å; Y328-R402 VanDerWaalsContact CD2-NH2 3.28Å; Y328-R402 VanDerWaalsContact CE1-NH2 3.25Å; Y328-R402 VanDerWaalsContact CE2-NH2 3.3Å; Y328-R402 VanDerWaalsContact CG-NH2 3.25Å; Y328-R402 VanDerWaalsContact CZ-NH2 3.28Å; L397-R402 HydrophobicContact CB-CB 4.28Å; L397-R402 HydrophobicContact CD2-CB 4.45Å; L397-R402 WeakPolarHBondContact O-CB 3.39Å; L397-R402 PolarHBondContact O-N 3.47Å; N400-R402 HydrophobicContact CB-CG 4.05Å; N400-R402 VanDerWaalsContact O-CG 3.29Å; N400-R402 WeakPolarHBondContact O-CG 3.26Å; N400-R402 PolarHBondContact O-N 3.3Å; N400-R402 VanDerWaalsContact O-N 3.07Å
403	L	76.4	Confident	80.3	Confident	15 Å²	15	50.3 Å²	50.3	8%	0.079	24%	0.244	C	C	.	.			trans	-155.4	166.5	174.9	67.3	83.6	0	0	0	112.2	L394 L397 A398 M405 Y410	L394-L403 HydrophobicContact CB-CD2 4.44Å; L394-L403 HydrophobicContact CD2-CD2 3.75Å; L397-L403 HydrophobicContact CB-CD2 3.52Å; L397-L403 HydrophobicContact CB-CG 3.85Å; L397-L403 HydrophobicContact CD1-CD2 3.7Å; L397-L403 HydrophobicContact CG-CD2 4.28Å; A398-L403 WeakPolarHBondContact CA-O 3.17Å; A398-L403 HydrophobicContact CB-CD1 3.86Å; A398-L403 HydrophobicContact CB-CG 4.38Å; L403-M405 HydrophobicContact CD1-CB 4.43Å; L403-M405 HydrophobicContact CD1-CG 3.72Å; L403-M405 HydrophobicContact CD1-SD 4.17Å; L403-Y410 HydrophobicContact CB-CE1 4.5Å; L403-Y410 HydrophobicContact CB-CE2 3.99Å; L403-Y410 HydrophobicContact CD1-CD2 4.23Å; L403-Y410 HydrophobicContact CD1-CE2 4.1Å
404	D	76.1	Confident	80.3	Confident	92 Å²	92	48.7 Å²	48.7	49%	0.492	24%	0.24	S	C	.	.			trans	-103.6	108.2	171.3	178.4	12.3	0	0	0	110.8	K406 N407 Y410	D404-K406 PolarHBondContact O-N 2.92Å; D404-K406 VanDerWaalsContact OD1-CB 3.29Å; D404-K406 WeakPolarHBondContact OD1-CB 3.28Å; D404-K406 PolarHBondContact OD1-N 3.49Å; D404-N407 HydrophobicContact CB-CB 4.5Å; D404-N407 VanDerWaalsContact O-CB 3.29Å; D404-N407 WeakPolarHBondContact O-CB 3.2Å; D404-N407 PolarHBondContact O-N 3.36Å; D404-Y410 WeakPolarHBondContact O-CD2 3.38Å; D404-Y410 VanDerWaalsContact O-CE2 3.24Å; D404-Y410 WeakPolarHBondContact O-CE2 3.22Å
405	M	78.5	Confident	80.2	Confident	23 Å²	23	51.4 Å²	51.4	11%	0.113	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.3	177.6	-86.6	-72.4	-85	0	0	113.8	V391 L394 A395 A398 L403 N407 Y443 L447	V391-M405 HydrophobicContact CG1-CE 3.85Å; L394-M405 HydrophobicContact CB-CE 4.17Å; L394-M405 HydrophobicContact CB-SD 3.3Å; L394-M405 WeakPolarHBondContact CB-SD 3.27Å; L394-M405 HydrophobicContact CD1-SD 4.15Å; L394-M405 HydrophobicContact CG-SD 4.37Å; A395-M405 HydrophobicContact CB-CE 4.13Å; A398-M405 HydrophobicContact CB-CB 4.18Å; A398-M405 HydrophobicContact CB-CG 3.5Å; L403-M405 HydrophobicContact CD1-CB 4.43Å; L403-M405 HydrophobicContact CD1-CG 3.72Å; L403-M405 HydrophobicContact CD1-SD 4.17Å; M405-N407 VanDerWaalsContact C-N 3.25Å; M405-Y443 WeakPolarHBondContact O-CE1 3.45Å; M405-Y443 PolarHBondContact O-OH 2.86Å; M405-Y443 VanDerWaalsContact O-OH 3.14Å; M405-L447 HydrophobicContact CE-CD1 3.34Å; M405-L447 HydrophobicContact SD-CD1 4.13Å
406	K	78.1	Confident	80.2	Confident	163 Å²	163	52.8 Å²	52.8	71%	0.709	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-16.5	173.2	-64.4	179.6	179.3	175.1	0	112.6	D404 I408 Y443	D404-K406 PolarHBondContact O-N 2.92Å; D404-K406 VanDerWaalsContact OD1-CB 3.29Å; D404-K406 WeakPolarHBondContact OD1-CB 3.28Å; D404-K406 PolarHBondContact OD1-N 3.49Å; K406-I408 PolarHBondContact O-N 3.31Å; K406-I408 VanDerWaalsContact O-N 3.15Å; K406-Y443 WeakPolarHBondContact CA-OH 3.5Å
407	N	81	Confident	80.5	Confident	57 Å²	57	49 Å²	49	31%	0.305	24%	0.238	S	C	.	.			trans	-74.1	106.7	173.6	-172.4	-5.5	0	0	0	110.3	D404 M405 E409 Y410	D404-N407 HydrophobicContact CB-CB 4.5Å; D404-N407 VanDerWaalsContact O-CB 3.29Å; D404-N407 WeakPolarHBondContact O-CB 3.2Å; D404-N407 PolarHBondContact O-N 3.36Å; M405-N407 VanDerWaalsContact C-N 3.25Å; N407-E409 PolarHBondContact O-N 2.53Å; N407-E409 WeakPolarHBondContact OD1-CB 3.49Å; N407-E409 PolarHBondContact OD1-N 3.22Å; N407-Y410 HydrophobicContact CB-CD2 3.99Å; N407-Y410 HydrophobicContact CB-CE2 3.87Å; N407-Y410 WeakPolarHBondContact O-CD2 3.42Å; N407-Y410 PolarHBondContact O-N 2.79Å
408	I	83.6	Confident	80.9	Confident	22 Å²	22	56.1 Å²	56.1	11%	0.113	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-61.3	-15.5	-179.8	-159.4	172.7	0	0	0	113.3	K406 Y410 V411 A412 K424 I427	K406-I408 PolarHBondContact O-N 3.31Å; K406-I408 VanDerWaalsContact O-N 3.15Å; I408-Y410 PolarHBondContact O-N 3.37Å; I408-V411 HydrophobicContact CG1-CG2 3.69Å; I408-V411 WeakPolarHBondContact O-CG2 3.08Å; I408-V411 PolarHBondContact O-N 2.72Å; I408-A412 HydrophobicContact CG1-CB 4.2Å; I408-A412 PolarHBondContact O-N 2.89Å; I408-K424 HydrophobicContact CD1-CB 4.42Å; I408-K424 WeakPolarHBondContact CD1-O 3.27Å; I408-K424 HydrophobicContact CG2-CB 3.82Å; I408-K424 HydrophobicContact CG2-CD 3.71Å; I408-K424 HydrophobicContact CG2-CG 3.74Å; I408-I427 HydrophobicContact CD1-CB 4.35Å; I408-I427 HydrophobicContact CD1-CG2 4.1Å
409	E	82.8	Confident	81.3	Confident	7 Å²	7	56 Å²	56	3%	0.033	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-53.9	-33.4	174.6	-173.7	68.2	-166.2	0	0	112.6	L331 M336 H340 N407 V411 P413 S414 K424	L331-E409 HydrophobicContact CD1-CG 4.35Å; M336-E409 HydrophobicContact CG-CG 4.04Å; M336-E409 PolarHBondContact N-OE1 2.86Å; M336-E409 HydrophobicContact SD-CG 3.72Å; H340-E409 PolarHBondContact NE2-O 2.83Å; N407-E409 PolarHBondContact O-N 2.53Å; N407-E409 WeakPolarHBondContact OD1-CB 3.49Å; N407-E409 PolarHBondContact OD1-N 3.22Å; E409-V411 VanDerWaalsContact C-N 3.26Å; E409-V411 PolarHBondContact O-N 3.35Å; E409-P413 VanDerWaalsContact O-CA 3.25Å; E409-P413 WeakPolarHBondContact O-CA 3.43Å; E409-S414 VanDerWaalsContact CD-OG 3.31Å; E409-S414 WeakPolarHBondContact OE1-CB 3.26Å; E409-S414 PolarHBondContact OE1-N 3.22Å; E409-S414 PolarHBondContact OE1-OG 3.16Å; E409-S414 PolarHBondContact OE2-N 3.13Å; E409-S414 PolarHBondContact OE2-OG 3.26Å; E409-K424 WeakPolarHBondContact OE2-CE 3.44Å; E409-K424 IonicContact OE2-NZ 2.67Å; E409-K424 PolarHBondContact OE2-NZ 2.81Å
410	Y	80.9	Confident	81.8	Confident	6 Å²	6	49.5 Å²	49.5	2%	0.024	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-74.1	-12.6	179.3	-60.7	-63.7	0	0	0	114.3	I327 L331 M336 H340 Y390 L403 D404 N407 I408	I327-Y410 HydrophobicContact CG2-CE1 4.13Å; L331-Y410 HydrophobicContact CD1-CE1 3.95Å; M336-Y410 HydrophobicContact SD-CD1 4.08Å; M336-Y410 HydrophobicContact SD-CE1 4.21Å; H340-Y410 PolarHBondContact CE1-O 2.72Å; H340-Y410 PolarHBondContact NE2-O 3.09Å; H340-Y410 VanDerWaalsContact NE2-O 3.09Å; Y390-Y410 PolarHBondContact OH-O 3.33Å; L403-Y410 HydrophobicContact CB-CE1 4.5Å; L403-Y410 HydrophobicContact CB-CE2 3.99Å; L403-Y410 HydrophobicContact CD1-CD2 4.23Å; L403-Y410 HydrophobicContact CD1-CE2 4.1Å; D404-Y410 WeakPolarHBondContact O-CD2 3.38Å; D404-Y410 VanDerWaalsContact O-CE2 3.24Å; D404-Y410 WeakPolarHBondContact O-CE2 3.22Å; N407-Y410 HydrophobicContact CB-CD2 3.99Å; N407-Y410 HydrophobicContact CB-CE2 3.87Å; N407-Y410 WeakPolarHBondContact O-CD2 3.42Å; N407-Y410 PolarHBondContact O-N 2.79Å; I408-Y410 PolarHBondContact O-N 3.37Å
411	V	85.7	Confident	82.4	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.024	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-23.9	176.8	-61.3	0	0	0	0	112.7	I408 E409 L447 I450 V451 Q454	I408-V411 HydrophobicContact CG1-CG2 3.69Å; I408-V411 WeakPolarHBondContact O-CG2 3.08Å; I408-V411 PolarHBondContact O-N 2.72Å; E409-V411 VanDerWaalsContact C-N 3.26Å; E409-V411 PolarHBondContact O-N 3.35Å; V411-L447 HydrophobicContact CB-CD2 4.49Å; V411-L447 HydrophobicContact CG1-CB 4.21Å; V411-L447 HydrophobicContact CG1-CD2 3.93Å; V411-L447 HydrophobicContact CG1-CG 4.45Å; V411-L447 HydrophobicContact CG2-CD2 3.9Å; V411-I450 HydrophobicContact CB-CG2 4.2Å; V411-I450 HydrophobicContact CG2-CG2 4.12Å; V411-V451 HydrophobicContact CB-CG2 3.65Å; V411-V451 HydrophobicContact CG1-CG2 3.56Å; V411-Q454 PolarHBondContact O-NE2 3.03Å
412	A	87	Confident	83.1	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-135.2	75.8	177.7	0	0	0	0	0	109.6	I408 F417 K424 I427	I408-A412 HydrophobicContact CG1-CB 4.2Å; I408-A412 PolarHBondContact O-N 2.89Å; A412-F417 HydrophobicContact CB-CE2 4.25Å; A412-K424 HydrophobicContact CB-CG 4.43Å; A412-I427 HydrophobicContact CB-CD1 3.62Å
413	P	83.2	Confident	84.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.			trans	-70.6	142.6	-171.8	27.8	-36.2	0	0	0	113.2	H340 E409 F415 R416 F417	H340-P413 HydrophobicContact CB-CG 4.32Å; H340-P413 WeakPolarHBondContact CD2-CB 3.29Å; H340-P413 VanDerWaalsContact CD2-CG 3.41Å; H340-P413 WeakPolarHBondContact CD2-CG 3.33Å; E409-P413 VanDerWaalsContact O-CA 3.25Å; E409-P413 WeakPolarHBondContact O-CA 3.43Å; P413-F415 HydrophobicContact CB-CD1 3.82Å; P413-F415 HydrophobicContact CB-CE1 3.5Å; P413-F415 VanDerWaalsContact CB-CE1 3.5Å; P413-F415 HydrophobicContact CB-CZ 4.36Å; P413-F415 HydrophobicContact CG-CD1 4.39Å; P413-F415 HydrophobicContact CG-CE1 3.75Å; P413-F415 HydrophobicContact CG-CZ 4.12Å; P413-F415 PolarHBondContact O-N 3Å; P413-R416 HydrophobicContact CG-CG 3.99Å; P413-R416 WeakPolarHBondContact O-CB 3.38Å; P413-R416 PolarHBondContact O-N 3.25Å; P413-F417 WeakPolarHBondContact O-CD2 3.35Å
414	S	84	Confident	85	Confident	16 Å²	16	40.8 Å²	40.8	11%	0.112	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-61.8	-39.3	-170.4	-64.3	0	0	0	0	113.5	E409 R416 F417 K424	E409-S414 VanDerWaalsContact CD-OG 3.31Å; E409-S414 WeakPolarHBondContact OE1-CB 3.26Å; E409-S414 PolarHBondContact OE1-N 3.22Å; E409-S414 PolarHBondContact OE1-OG 3.16Å; E409-S414 PolarHBondContact OE2-N 3.13Å; E409-S414 PolarHBondContact OE2-OG 3.26Å; S414-R416 PolarHBondContact O-N 3.2Å; S414-F417 PolarHBondContact O-N 3.1Å; S414-K424 VanDerWaalsContact OG-CE 3.25Å; S414-K424 WeakPolarHBondContact OG-CE 3.21Å; S414-K424 PolarHBondContact OG-NZ 2.93Å
415	F	80.5	Confident	85.7	Confident	57 Å²	57	40.1 Å²	40.1	25%	0.25	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-62.4	-15.7	-176.8	72.7	-92.7	0	0	0	113.9	M336 N337 Y338 H340 L343 P413 F417	M336-F415 WeakPolarHBondContact O-CD1 3.39Å; N337-F415 WeakPolarHBondContact O-CD1 3.32Å; N337-F415 WeakPolarHBondContact O-CE1 3.39Å; Y338-F415 HydrophobicContact CD1-CD2 4.05Å; Y338-F415 WeakPolarHBondContact O-CZ 3.45Å; H340-F415 HydrophobicContact CB-CE1 3.68Å; H340-F415 HydrophobicContact CB-CZ 3.69Å; L343-F415 HydrophobicContact CD1-CE2 4.32Å; L343-F415 HydrophobicContact CD1-CZ 4.04Å; P413-F415 HydrophobicContact CB-CD1 3.82Å; P413-F415 HydrophobicContact CB-CE1 3.5Å; P413-F415 VanDerWaalsContact CB-CE1 3.5Å; P413-F415 HydrophobicContact CB-CZ 4.36Å; P413-F415 HydrophobicContact CG-CD1 4.39Å; P413-F415 HydrophobicContact CG-CE1 3.75Å; P413-F415 HydrophobicContact CG-CZ 4.12Å; P413-F415 PolarHBondContact O-N 3Å; F415-F417 VanDerWaalsContact C-N 3.29Å
416	R	81.5	Confident	86.4	Confident	43 Å²	43	40 Å²	40	16%	0.162	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-76.5	-17.3	175.5	-72.1	-173.8	176.7	-173.3	-5.4	113.4	L343 P413 S414 N455	L343-R416 VanDerWaalsContact CD1-NH2 3.26Å; L343-R416 VanDerWaalsContact CG-NH2 3.33Å; P413-R416 HydrophobicContact CG-CG 3.99Å; P413-R416 WeakPolarHBondContact O-CB 3.38Å; P413-R416 PolarHBondContact O-N 3.25Å; S414-R416 PolarHBondContact O-N 3.2Å; R416-N455 VanDerWaalsContact CZ-OD1 3.24Å; R416-N455 PolarHBondContact NH1-OD1 3.45Å; R416-N455 PolarHBondContact NH2-OD1 3.39Å
417	F	87.4	Confident	87.1	Confident	23 Å²	23	32.2 Å²	32.2	10%	0.101	16%	0.155	C	C	.	.			trans	-131.6	127.9	-166.4	-53	-61.9	0	0	0	110.7	A412 P413 S414 F415 N419 A420 V423 I427 I598	A412-F417 HydrophobicContact CB-CE2 4.25Å; P413-F417 WeakPolarHBondContact O-CD2 3.35Å; S414-F417 PolarHBondContact O-N 3.1Å; F415-F417 VanDerWaalsContact C-N 3.29Å; F417-N419 VanDerWaalsContact C-N 3.3Å; F417-N419 PolarHBondContact O-N 3.24Å; F417-A420 HydrophobicContact CB-CB 4.25Å; F417-V423 HydrophobicContact CB-CB 4.22Å; F417-V423 HydrophobicContact CB-CG1 4.41Å; F417-V423 HydrophobicContact CB-CG2 4.1Å; F417-V423 HydrophobicContact CD1-CB 4.38Å; F417-V423 HydrophobicContact CD1-CG1 3.74Å; F417-V423 HydrophobicContact CD1-CG2 4.25Å; F417-V423 HydrophobicContact CD2-CB 4.24Å; F417-V423 HydrophobicContact CD2-CG1 3.7Å; F417-V423 HydrophobicContact CE1-CG1 3.83Å; F417-V423 HydrophobicContact CE2-CG1 3.78Å; F417-V423 HydrophobicContact CG-CB 4.02Å; F417-V423 HydrophobicContact CG-CG1 3.67Å; F417-V423 HydrophobicContact CG-CG2 4.16Å; F417-V423 HydrophobicContact CZ-CG1 3.84Å; F417-I427 HydrophobicContact CZ-CD1 4.49Å; F417-I598 HydrophobicContact CD1-CG2 4.43Å; F417-I598 HydrophobicContact CE1-CG2 4.29Å
418	K	87.4	Confident	87.4	Confident	152 Å²	152	35.6 Å²	35.6	66%	0.661	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-43	173.8	-178.1	179.8	169.8	-165.4	0	112.2
419	N	90.1	Very high	87.7	Confident	20 Å²	20	40.1 Å²	40.1	11%	0.107	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	60.9	178.5	-68.1	-23.9	0	0	0	110	F417 E421 Q422 V423 I601 L604 L606	F417-N419 VanDerWaalsContact C-N 3.3Å; F417-N419 PolarHBondContact O-N 3.24Å; N419-E421 PolarHBondContact O-N 2.84Å; N419-Q422 PolarHBondContact O-N 2.75Å; N419-V423 WeakPolarHBondContact O-CG2 3.29Å; N419-V423 PolarHBondContact O-N 2.98Å; N419-I601 HydrophobicContact CB-CG2 4.22Å; N419-I601 PolarHBondContact ND2-O 2.8Å; N419-L604 PolarHBondContact ND2-O 3.37Å; N419-L606 HydrophobicContact CB-CD1 4.04Å
420	A	90	Very high	88.1	Confident	15 Å²	15	43 Å²	43	12%	0.124	20%	0.197	C	C	.	.	H	α-helix	trans	-54	-46.7	-168.7	0	0	0	0	0	114.5	F417 Q422 V423 K424	F417-A420 HydrophobicContact CB-CB 4.25Å; A420-Q422 PolarHBondContact O-N 3.5Å; A420-V423 PolarHBondContact O-N 2.87Å; A420-K424 WeakPolarHBondContact O-CB 3.42Å; A420-K424 VanDerWaalsContact O-CG 3.25Å; A420-K424 WeakPolarHBondContact O-CG 3.48Å; A420-K424 PolarHBondContact O-N 3.21Å
421	E	90.3	Very high	88.6	Confident	101 Å²	101	44 Å²	44	47%	0.472	20%	0.2	S	C	.	.	H	α-helix	trans	-64.2	-41.2	-177.1	-64.7	-52.8	121.4	0	0	112.4	N419 K424 Q425	N419-E421 PolarHBondContact O-N 2.84Å; E421-K424 PolarHBondContact O-N 2.94Å; E421-K424 IonicContact OE1-NZ 2.77Å; E421-K424 PolarHBondContact OE1-NZ 2.73Å; E421-Q425 VanDerWaalsContact O-CG 3.31Å; E421-Q425 WeakPolarHBondContact O-CG 3.03Å; E421-Q425 PolarHBondContact O-N 3.49Å
422	Q	92.6	Very high	88.5	Confident	38 Å²	38	44.1 Å²	44.1	18%	0.178	20%	0.201	C	C	.	.	H	α-helix	trans	-69.9	-36.9	177	-66.5	75.7	19.8	0	0	111.6	N419 A420 Q425 A426 I601 L606 F612	N419-Q422 PolarHBondContact O-N 2.75Å; A420-Q422 PolarHBondContact O-N 3.5Å; Q422-Q425 PolarHBondContact O-N 2.93Å; Q422-A426 WeakPolarHBondContact O-CB 3.33Å; Q422-A426 PolarHBondContact O-N 2.98Å; Q422-I601 HydrophobicContact CB-CG2 3.7Å; Q422-L606 HydrophobicContact CB-CD1 4.37Å; Q422-L606 HydrophobicContact CG-CD1 3.57Å; Q422-F612 HydrophobicContact CG-CD2 4.43Å; Q422-F612 HydrophobicContact CG-CE2 4.27Å
423	V	93.1	Very high	87.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-45.4	173.9	169.1	0	0	0	0	110.8	F417 N419 A420 Q425 A426 I427 I598 I601 Q602	F417-V423 HydrophobicContact CB-CB 4.22Å; F417-V423 HydrophobicContact CB-CG1 4.41Å; F417-V423 HydrophobicContact CB-CG2 4.1Å; F417-V423 HydrophobicContact CD1-CB 4.38Å; F417-V423 HydrophobicContact CD1-CG1 3.74Å; F417-V423 HydrophobicContact CD1-CG2 4.25Å; F417-V423 HydrophobicContact CD2-CB 4.24Å; F417-V423 HydrophobicContact CD2-CG1 3.7Å; F417-V423 HydrophobicContact CE1-CG1 3.83Å; F417-V423 HydrophobicContact CE2-CG1 3.78Å; F417-V423 HydrophobicContact CG-CB 4.02Å; F417-V423 HydrophobicContact CG-CG1 3.67Å; F417-V423 HydrophobicContact CG-CG2 4.16Å; F417-V423 HydrophobicContact CZ-CG1 3.84Å; N419-V423 WeakPolarHBondContact O-CG2 3.29Å; N419-V423 PolarHBondContact O-N 2.98Å; A420-V423 PolarHBondContact O-N 2.87Å; V423-Q425 PolarHBondContact O-N 3.26Å; V423-A426 PolarHBondContact O-N 3.3Å; V423-I427 HydrophobicContact CG1-CD1 3.65Å; V423-I427 HydrophobicContact CG1-CG1 4.29Å; V423-I427 VanDerWaalsContact O-CG1 3.28Å; V423-I427 WeakPolarHBondContact O-CG1 3.34Å; V423-I427 PolarHBondContact O-N 3.18Å; V423-I598 HydrophobicContact CG1-CD1 4.05Å; V423-I598 HydrophobicContact CG1-CG2 4.18Å; V423-I598 HydrophobicContact CG2-CG2 4.14Å; V423-I601 HydrophobicContact CG2-CB 4.34Å; V423-I601 HydrophobicContact CG2-CG2 3.72Å; V423-Q602 HydrophobicContact CG2-CG 4.18Å
424	K	91.1	Very high	87.1	Confident	18 Å²	18	56.6 Å²	56.6	8%	0.078	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-44.5	175.6	-72.3	170.9	-173.6	174.3	0	111.9	I408 E409 A412 S414 A420 E421 A426 I427 Y428	I408-K424 HydrophobicContact CD1-CB 4.42Å; I408-K424 WeakPolarHBondContact CD1-O 3.27Å; I408-K424 HydrophobicContact CG2-CB 3.82Å; I408-K424 HydrophobicContact CG2-CD 3.71Å; I408-K424 HydrophobicContact CG2-CG 3.74Å; E409-K424 WeakPolarHBondContact OE2-CE 3.44Å; E409-K424 IonicContact OE2-NZ 2.67Å; E409-K424 PolarHBondContact OE2-NZ 2.81Å; A412-K424 HydrophobicContact CB-CG 4.43Å; S414-K424 VanDerWaalsContact OG-CE 3.25Å; S414-K424 WeakPolarHBondContact OG-CE 3.21Å; S414-K424 PolarHBondContact OG-NZ 2.93Å; A420-K424 WeakPolarHBondContact O-CB 3.42Å; A420-K424 VanDerWaalsContact O-CG 3.25Å; A420-K424 WeakPolarHBondContact O-CG 3.48Å; A420-K424 PolarHBondContact O-N 3.21Å; E421-K424 PolarHBondContact O-N 2.94Å; E421-K424 IonicContact OE1-NZ 2.77Å; E421-K424 PolarHBondContact OE1-NZ 2.73Å; K424-A426 VanDerWaalsContact C-N 3.34Å; K424-A426 PolarHBondContact O-N 2.89Å; K424-I427 PolarHBondContact O-N 3.48Å; K424-Y428 VanDerWaalsContact O-CB 3.3Å; K424-Y428 WeakPolarHBondContact O-CB 3.02Å; K424-Y428 PolarHBondContact O-N 3.38Å
425	Q	90.6	Very high	85.9	Confident	78 Å²	78	62.4 Å²	62.4	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-61.6	-41.9	175.3	-73.4	175.4	5.3	0	0	111.9	E421 Q422 V423 Y428 H429	E421-Q425 VanDerWaalsContact O-CG 3.31Å; E421-Q425 WeakPolarHBondContact O-CG 3.03Å; E421-Q425 PolarHBondContact O-N 3.49Å; Q422-Q425 PolarHBondContact O-N 2.93Å; V423-Q425 PolarHBondContact O-N 3.26Å; Q425-Y428 PolarHBondContact O-N 2.95Å; Q425-H429 VanDerWaalsContact O-CB 3.3Å; Q425-H429 WeakPolarHBondContact O-CB 3.34Å; Q425-H429 PolarHBondContact O-N 3Å
426	A	92.9	Very high	85.1	Confident	19 Å²	19	63.5 Å²	63.5	16%	0.157	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-42.8	177.3	0	0	0	0	0	112.2	Q422 V423 K424 H429 Y430 F593 I598 I601	Q422-A426 WeakPolarHBondContact O-CB 3.33Å; Q422-A426 PolarHBondContact O-N 2.98Å; V423-A426 PolarHBondContact O-N 3.3Å; K424-A426 VanDerWaalsContact C-N 3.34Å; K424-A426 PolarHBondContact O-N 2.89Å; A426-H429 PolarHBondContact O-N 2.77Å; A426-Y430 WeakPolarHBondContact O-CB 3.49Å; A426-Y430 PolarHBondContact O-N 3.39Å; A426-F593 HydrophobicContact CB-CE2 4.28Å; A426-F593 HydrophobicContact CB-CZ 4.44Å; A426-I598 HydrophobicContact CB-CD1 4.15Å; A426-I601 HydrophobicContact CB-CD1 3.53Å
427	I	92.7	Very high	84.2	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-49.3	173.6	-68	165.5	0	0	0	109.4	I408 A412 F417 V423 K424 H429 Y430 Y431 I450 F593 W594 I598	I408-I427 HydrophobicContact CD1-CB 4.35Å; I408-I427 HydrophobicContact CD1-CG2 4.1Å; A412-I427 HydrophobicContact CB-CD1 3.62Å; F417-I427 HydrophobicContact CZ-CD1 4.49Å; V423-I427 HydrophobicContact CG1-CD1 3.65Å; V423-I427 HydrophobicContact CG1-CG1 4.29Å; V423-I427 VanDerWaalsContact O-CG1 3.28Å; V423-I427 WeakPolarHBondContact O-CG1 3.34Å; V423-I427 PolarHBondContact O-N 3.18Å; K424-I427 PolarHBondContact O-N 3.48Å; I427-H429 VanDerWaalsContact C-N 3.31Å; I427-H429 PolarHBondContact O-N 2.94Å; I427-Y430 PolarHBondContact O-N 3.41Å; I427-Y431 HydrophobicContact CG2-CD2 3.93Å; I427-Y431 HydrophobicContact CG2-CE2 4.31Å; I427-Y431 WeakPolarHBondContact O-CD2 3.26Å; I427-Y431 PolarHBondContact O-N 3.07Å; I427-I450 HydrophobicContact CG2-CD1 4.03Å; I427-I450 HydrophobicContact CG2-CG1 4.14Å; I427-I450 HydrophobicContact CG2-CG2 3.9Å; I427-F593 HydrophobicContact CG1-CE1 4.31Å; I427-F593 HydrophobicContact CG1-CZ 4.14Å; I427-W594 HydrophobicContact CD1-CH2 3.56Å; I427-W594 HydrophobicContact CD1-CZ3 3.85Å; I427-W594 HydrophobicContact CG1-CH2 3.72Å; I427-W594 HydrophobicContact CG1-CZ2 4.36Å; I427-W594 HydrophobicContact CG1-CZ3 4.13Å; I427-I598 HydrophobicContact CG1-CD1 4.46Å
428	Y	88.6	Confident	83.1	Confident	129 Å²	129	68.5 Å²	68.5	51%	0.506	35%	0.35	S	S	.	.	H	α-helix	trans	-56.6	-48.7	179.2	-174.3	-88.6	0	0	0	111	K424 Q425 Y430 F432	K424-Y428 VanDerWaalsContact O-CB 3.3Å; K424-Y428 WeakPolarHBondContact O-CB 3.02Å; K424-Y428 PolarHBondContact O-N 3.38Å; Q425-Y428 PolarHBondContact O-N 2.95Å; Y428-Y430 PolarHBondContact O-N 2.94Å; Y428-F432 AromaticContact CD2-CD2 3.41Å; Y428-F432 HydrophobicContact CD2-CD2 3.41Å; Y428-F432 VanDerWaalsContact CD2-CD2 3.41Å; Y428-F432 AromaticContact CD2-CE2 3.83Å; Y428-F432 HydrophobicContact CD2-CE2 3.83Å; Y428-F432 HydrophobicContact CD2-CG 4.22Å; Y428-F432 HydrophobicContact CE1-CB 4.26Å; Y428-F432 HydrophobicContact CE2-CB 4.35Å; Y428-F432 AromaticContact CE2-CD2 3.65Å; Y428-F432 HydrophobicContact CE2-CD2 3.65Å; Y428-F432 HydrophobicContact CE2-CE2 4.12Å; Y428-F432 HydrophobicContact CE2-CG 4.04Å; Y428-F432 AromaticContact CG-CD2 3.91Å; Y428-F432 HydrophobicContact CG-CD2 3.91Å; Y428-F432 WeakPolarHBondContact O-CB 3.44Å; Y428-F432 WeakPolarHBondContact O-CD2 3.41Å; Y428-F432 PolarHBondContact O-N 3.34Å
429	H	89.2	Confident	82.2	Confident	116 Å²	116	63.6 Å²	63.6	54%	0.537	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-44.8	178.6	-176.1	78.9	0	0	0	112.6	Q425 A426 I427 Y431 N433	Q425-H429 VanDerWaalsContact O-CB 3.3Å; Q425-H429 WeakPolarHBondContact O-CB 3.34Å; Q425-H429 PolarHBondContact O-N 3Å; A426-H429 PolarHBondContact O-N 2.77Å; I427-H429 VanDerWaalsContact C-N 3.31Å; I427-H429 PolarHBondContact O-N 2.94Å; H429-Y431 PolarHBondContact O-N 2.9Å; H429-N433 PolarHBondContact CE1-ND2 2.91Å; H429-N433 PolarHBondContact ND1-ND2 3.34Å; H429-N433 WeakPolarHBondContact O-CB 3.25Å; H429-N433 PolarHBondContact O-N 3.04Å
430	Y	91.6	Very high	81.2	Confident	69 Å²	69	70.6 Å²	70.6	27%	0.271	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-41.7	-178	-175.6	-90.9	0	0	0	112.5	A426 I427 Y428 L590 F593	A426-Y430 WeakPolarHBondContact O-CB 3.49Å; A426-Y430 PolarHBondContact O-N 3.39Å; I427-Y430 PolarHBondContact O-N 3.41Å; Y428-Y430 PolarHBondContact O-N 2.94Å; Y430-L590 HydrophobicContact CE1-CD1 3.89Å; Y430-L590 VanDerWaalsContact OH-CA 3.31Å; Y430-L590 WeakPolarHBondContact OH-CA 3.41Å; Y430-L590 PolarHBondContact OH-N 3.11Å; Y430-F593 HydrophobicContact CD1-CD1 4.04Å; Y430-F593 HydrophobicContact CD1-CE1 4.19Å; Y430-F593 HydrophobicContact CD1-CG 4.32Å; Y430-F593 HydrophobicContact CD2-CB 4.06Å; Y430-F593 HydrophobicContact CD2-CD1 4.18Å; Y430-F593 AromaticContact CD2-CD2 3.51Å; Y430-F593 HydrophobicContact CD2-CD2 3.51Å; Y430-F593 AromaticContact CD2-CE2 3.99Å; Y430-F593 HydrophobicContact CD2-CE2 3.99Å; Y430-F593 AromaticContact CD2-CG 3.63Å; Y430-F593 HydrophobicContact CD2-CG 3.63Å; Y430-F593 HydrophobicContact CE1-CD1 4.31Å; Y430-F593 HydrophobicContact CE1-CG 4.5Å; Y430-F593 HydrophobicContact CE2-CB 3.75Å; Y430-F593 HydrophobicContact CE2-CD1 4.43Å; Y430-F593 HydrophobicContact CE2-CD2 4.11Å; Y430-F593 AromaticContact CE2-CG 3.83Å; Y430-F593 HydrophobicContact CE2-CG 3.83Å; Y430-F593 AromaticContact CG-CD1 3.97Å; Y430-F593 HydrophobicContact CG-CD1 3.97Å; Y430-F593 AromaticContact CG-CD2 3.86Å; Y430-F593 HydrophobicContact CG-CD2 3.86Å; Y430-F593 HydrophobicContact CG-CE1 4.05Å; Y430-F593 AromaticContact CG-CE2 3.92Å; Y430-F593 HydrophobicContact CG-CE2 3.92Å; Y430-F593 AromaticContact CG-CG 3.89Å; Y430-F593 HydrophobicContact CG-CG 3.89Å; Y430-F593 HydrophobicContact CG-CZ 4.02Å
431	Y	90.5	Very high	80.3	Confident	27 Å²	27	72.5 Å²	72.5	11%	0.106	38%	0.379	C	S	.	.	H	α-helix	trans	-92.7	-33.1	-173.1	-76.6	-87.7	0	0	0	114.5	I427 H429 T446 Q449 I450 D453 L590 F593 W594	I427-Y431 HydrophobicContact CG2-CD2 3.93Å; I427-Y431 HydrophobicContact CG2-CE2 4.31Å; I427-Y431 WeakPolarHBondContact O-CD2 3.26Å; I427-Y431 PolarHBondContact O-N 3.07Å; H429-Y431 PolarHBondContact O-N 2.9Å; Y431-T446 HydrophobicContact CD1-CG2 4.42Å; Y431-Q449 HydrophobicContact CD1-CB 4.47Å; Y431-Q449 HydrophobicContact CE1-CB 4.17Å; Y431-I450 HydrophobicContact CD1-CD1 4.47Å; Y431-I450 HydrophobicContact CD1-CG1 3.64Å; Y431-I450 HydrophobicContact CD2-CD1 4.19Å; Y431-I450 HydrophobicContact CD2-CG1 3.56Å; Y431-I450 HydrophobicContact CE1-CG1 3.93Å; Y431-I450 HydrophobicContact CE2-CG1 3.87Å; Y431-I450 HydrophobicContact CG-CD1 3.96Å; Y431-I450 HydrophobicContact CG-CG1 3.45Å; Y431-I450 VanDerWaalsContact CG-CG1 3.45Å; Y431-D453 WeakPolarHBondContact CE1-OD2 3.34Å; Y431-D453 VanDerWaalsContact OH-CB 3.27Å; Y431-D453 WeakPolarHBondContact OH-CB 3.26Å; Y431-D453 PolarHBondContact OH-OD2 3.41Å; Y431-L590 WeakPolarHBondContact OH-CD1 2.97Å; Y431-F593 HydrophobicContact CE2-CE1 4.2Å; Y431-W594 AromaticContact CE2-CZ2 3.76Å; Y431-W594 HydrophobicContact CE2-CZ2 3.76Å; Y431-W594 AromaticContact CZ-NE1 3.86Å; Y431-W594 PolarHBondContact OH-NE1 2.67Å
432	F	85.3	Confident	79.6	Confident	6 Å²	6	70.5 Å²	70.5	3%	0.026	37%	0.372	C	S	.	.	H	α-helix	trans	-102.8	-17.1	-174.5	-65.1	-77.1	0	0	0	114.6	Y428 D435 A436 P437 Y443 T446 L447 I450	Y428-F432 AromaticContact CD2-CD2 3.41Å; Y428-F432 HydrophobicContact CD2-CD2 3.41Å; Y428-F432 VanDerWaalsContact CD2-CD2 3.41Å; Y428-F432 AromaticContact CD2-CE2 3.83Å; Y428-F432 HydrophobicContact CD2-CE2 3.83Å; Y428-F432 HydrophobicContact CD2-CG 4.22Å; Y428-F432 HydrophobicContact CE1-CB 4.26Å; Y428-F432 HydrophobicContact CE2-CB 4.35Å; Y428-F432 AromaticContact CE2-CD2 3.65Å; Y428-F432 HydrophobicContact CE2-CD2 3.65Å; Y428-F432 HydrophobicContact CE2-CE2 4.12Å; Y428-F432 HydrophobicContact CE2-CG 4.04Å; Y428-F432 AromaticContact CG-CD2 3.91Å; Y428-F432 HydrophobicContact CG-CD2 3.91Å; Y428-F432 WeakPolarHBondContact O-CB 3.44Å; Y428-F432 WeakPolarHBondContact O-CD2 3.41Å; Y428-F432 PolarHBondContact O-N 3.34Å; F432-D435 CarbonylContact O-C 3.56Å; F432-A436 PolarHBondContact O-N 2.66Å; F432-P437 HydrophobicContact CD1-CG 3.82Å; F432-P437 HydrophobicContact CE1-CG 4.13Å; F432-Y443 HydrophobicContact CD1-CD2 4.27Å; F432-Y443 HydrophobicContact CD1-CE2 4.25Å; F432-Y443 AromaticContact CE1-CD2 3.44Å; F432-Y443 HydrophobicContact CE1-CD2 3.44Å; F432-Y443 VanDerWaalsContact CE1-CD2 3.44Å; F432-Y443 AromaticContact CE1-CE2 3.35Å; F432-Y443 HydrophobicContact CE1-CE2 3.35Å; F432-Y443 HydrophobicContact CE1-CG 4.43Å; F432-Y443 HydrophobicContact CZ-CD2 4.05Å; F432-Y443 AromaticContact CZ-CE2 3.51Å; F432-Y443 HydrophobicContact CZ-CE2 3.51Å; F432-T446 HydrophobicContact CD1-CG2 3.83Å; F432-T446 HydrophobicContact CE1-CG2 3.49Å; F432-T446 VanDerWaalsContact CE1-CG2 3.49Å; F432-T446 HydrophobicContact CE2-CG2 4.24Å; F432-T446 HydrophobicContact CG-CG2 4.34Å; F432-T446 HydrophobicContact CZ-CG2 3.73Å; F432-L447 HydrophobicContact CZ-CD2 4.03Å; F432-I450 HydrophobicContact CE2-CD1 3.87Å; F432-I450 HydrophobicContact CZ-CD1 4.2Å
433	N	73.6	Confident	79.2	Confident	109 Å²	109	70.6 Å²	70.6	58%	0.583	37%	0.37	S	S	*	.	S	Bend	trans	-88	-13.8	-170.7	-154.1	53.7	0	0	0	114.2	H429	H429-N433 PolarHBondContact CE1-ND2 2.91Å; H429-N433 PolarHBondContact ND1-ND2 3.34Å; H429-N433 WeakPolarHBondContact O-CB 3.25Å; H429-N433 PolarHBondContact O-N 3.04Å
434	Q	65.1	Low	78.7	Confident	152 Å²	152	71.2 Å²	71.2	71%	0.71	38%	0.375	S	S	*	.	S	Bend	trans	-74.4	-37.2	175.1	-65	-168	17.3	0	0	111.4
435	D	59.9	Low	78.4	Confident	139 Å²	139	73.8 Å²	73.8	74%	0.743	39%	0.387	S	S	*	.	S	Bend	trans	-150.5	109.1	171.5	-73.1	-56.9	0	0	0	108.7	F432	F432-D435 CarbonylContact O-C 3.56Å
436	A	63.3	Low	78.4	Confident	79 Å²	79	71 Å²	71	65%	0.653	38%	0.375	S	S	*	.			trans	-60.5	125.8	175.9	0	0	0	0	0	108.8	F432 T438	F432-A436 PolarHBondContact O-N 2.66Å; A436-T438 PolarHBondContact O-N 3.06Å; A436-T438 VanDerWaalsContact O-N 3.13Å
437	P	63.9	Low	78.3	Confident	42 Å²	42	70.1 Å²	70.1	27%	0.273	37%	0.368	S	S	.	.			trans	-61.6	122.5	-172.7	18.2	-28.1	0	0	0	110.5	F432 S439 N442 Y443	F432-P437 HydrophobicContact CD1-CG 3.82Å; F432-P437 HydrophobicContact CE1-CG 4.13Å; P437-S439 VanDerWaalsContact C-N 3.28Å; P437-S439 PolarHBondContact O-N 2.91Å; P437-N442 HydrophobicContact CB-CB 3.76Å; P437-Y443 HydrophobicContact CG-CD2 3.8Å; P437-Y443 HydrophobicContact CG-CG 4.49Å
438	T	63.4	Low	78.2	Confident	129 Å²	129	70.3 Å²	70.3	79%	0.791	37%	0.369	S	S	*	.	S	Bend	trans	-79.4	-9.8	-178.1	52.7	0	0	0	0	113.5	A436 N442	A436-T438 PolarHBondContact O-N 3.06Å; A436-T438 VanDerWaalsContact O-N 3.13Å; T438-N442 PolarHBondContact OG1-ND2 2.75Å
439	S	68.2	Low	78.4	Confident	49 Å²	49	68.2 Å²	68.2	34%	0.343	36%	0.364	S	S	.	.	S	Bend	trans	-145.9	159.3	-179	75.5	0	0	0	0	111.9	P437 S441 N442 Y443	P437-S439 VanDerWaalsContact C-N 3.28Å; P437-S439 PolarHBondContact O-N 2.91Å; S439-S441 PolarHBondContact O-N 3.24Å; S439-S441 PolarHBondContact OG-N 3.06Å; S439-N442 PolarHBondContact O-N 2.9Å; S439-N442 VanDerWaalsContact OG-CG 3.29Å; S439-N442 PolarHBondContact OG-N 3.29Å; S439-N442 VanDerWaalsContact OG-N 3.1Å; S439-N442 PolarHBondContact OG-OD1 2.93Å; S439-Y443 PolarHBondContact O-N 2.87Å
440	E	70.2	Confident	78.6	Confident	167 Å²	167	62.7 Å²	62.7	78%	0.78	34%	0.339	S	S	*	.	H	α-helix	trans	-60.1	-31.8	173	-67.4	-171.7	161.9	0	0	112.8	Y443 S444	E440-Y443 PolarHBondContact O-N 3.04Å; E440-S444 PolarHBondContact O-N 3.09Å; E440-S444 PolarHBondContact O-OG 2.95Å
441	S	70	Confident	78.7	Confident	55 Å²	55	59.5 Å²	59.5	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-66.8	-42.7	175.5	-168.9	0	0	0	0	111.5	S439 Y443 S444 Q445	S439-S441 PolarHBondContact O-N 3.24Å; S439-S441 PolarHBondContact OG-N 3.06Å; S441-Y443 VanDerWaalsContact C-N 3.31Å; S441-S444 PolarHBondContact O-N 2.85Å; S441-Q445 WeakPolarHBondContact O-CB 3.39Å; S441-Q445 PolarHBondContact O-N 3.16Å
442	N	76.6	Confident	78.9	Confident	60 Å²	60	58.3 Å²	58.3	32%	0.321	32%	0.322	S	S	.	.	H	α-helix	trans	-66.3	-37	176.3	-68.2	5.5	0	0	0	111.2	P437 T438 S439 Q445 T446	P437-N442 HydrophobicContact CB-CB 3.76Å; T438-N442 PolarHBondContact OG1-ND2 2.75Å; S439-N442 PolarHBondContact O-N 2.9Å; S439-N442 VanDerWaalsContact OG-CG 3.29Å; S439-N442 PolarHBondContact OG-N 3.29Å; S439-N442 VanDerWaalsContact OG-N 3.1Å; S439-N442 PolarHBondContact OG-OD1 2.93Å; N442-Q445 PolarHBondContact O-N 3.42Å; N442-T446 PolarHBondContact O-N 2.81Å; N442-T446 VanDerWaalsContact O-N 3.08Å; N442-T446 PolarHBondContact O-OG1 2.77Å
443	Y	82.9	Confident	79.4	Confident	39 Å²	39	58.9 Å²	58.9	15%	0.153	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-48.5	174.5	-174.7	-99.4	0	0	0	111	M405 K406 F432 P437 S439 E440 S441 Q445 T446 L447	M405-Y443 WeakPolarHBondContact O-CE1 3.45Å; M405-Y443 PolarHBondContact O-OH 2.86Å; M405-Y443 VanDerWaalsContact O-OH 3.14Å; K406-Y443 WeakPolarHBondContact CA-OH 3.5Å; F432-Y443 HydrophobicContact CD1-CD2 4.27Å; F432-Y443 HydrophobicContact CD1-CE2 4.25Å; F432-Y443 AromaticContact CE1-CD2 3.44Å; F432-Y443 HydrophobicContact CE1-CD2 3.44Å; F432-Y443 VanDerWaalsContact CE1-CD2 3.44Å; F432-Y443 AromaticContact CE1-CE2 3.35Å; F432-Y443 HydrophobicContact CE1-CE2 3.35Å; F432-Y443 HydrophobicContact CE1-CG 4.43Å; F432-Y443 HydrophobicContact CZ-CD2 4.05Å; F432-Y443 AromaticContact CZ-CE2 3.51Å; F432-Y443 HydrophobicContact CZ-CE2 3.51Å; P437-Y443 HydrophobicContact CG-CD2 3.8Å; P437-Y443 HydrophobicContact CG-CG 4.49Å; S439-Y443 PolarHBondContact O-N 2.87Å; E440-Y443 PolarHBondContact O-N 3.04Å; S441-Y443 VanDerWaalsContact C-N 3.31Å; Y443-Q445 PolarHBondContact O-N 2.81Å; Y443-T446 WeakPolarHBondContact O-CB 3.14Å; Y443-T446 PolarHBondContact O-N 2.91Å; Y443-T446 VanDerWaalsContact O-N 3.16Å; Y443-L447 HydrophobicContact CD1-CD1 3.94Å; Y443-L447 HydrophobicContact CD1-CG 4.28Å; Y443-L447 HydrophobicContact CE1-CD1 3.47Å; Y443-L447 VanDerWaalsContact CE1-CD1 3.47Å; Y443-L447 HydrophobicContact CE1-CD2 4.22Å; Y443-L447 HydrophobicContact CE1-CG 3.93Å; Y443-L447 WeakPolarHBondContact O-CG 3.29Å; Y443-L447 PolarHBondContact O-N 2.81Å
444	S	83.2	Confident	80.3	Confident	14 Å²	14	54.4 Å²	54.4	10%	0.098	30%	0.301	C	S	.	.	H	α-helix	trans	-67.2	-35.2	-179.9	-54.7	0	0	0	0	113.1	E440 S441 T446 L447 I448	E440-S444 PolarHBondContact O-N 3.09Å; E440-S444 PolarHBondContact O-OG 2.95Å; S441-S444 PolarHBondContact O-N 2.85Å; S444-T446 VanDerWaalsContact C-N 3.31Å; S444-T446 PolarHBondContact O-N 2.95Å; S444-L447 WeakPolarHBondContact O-CB 3.29Å; S444-L447 PolarHBondContact O-N 3.47Å; S444-I448 WeakPolarHBondContact O-CG1 3.19Å; S444-I448 PolarHBondContact O-N 3.4Å
445	Q	85	Confident	81.6	Confident	72 Å²	72	47.2 Å²	47.2	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-57.6	-46	170.8	-179.1	171.5	12.7	0	0	111.5	S441 N442 Y443 L447 I448 Q449	S441-Q445 WeakPolarHBondContact O-CB 3.39Å; S441-Q445 PolarHBondContact O-N 3.16Å; N442-Q445 PolarHBondContact O-N 3.42Å; Y443-Q445 PolarHBondContact O-N 2.81Å; Q445-L447 VanDerWaalsContact C-N 3.3Å; Q445-L447 PolarHBondContact O-N 2.9Å; Q445-I448 WeakPolarHBondContact O-CB 3.23Å; Q445-I448 PolarHBondContact O-N 3.22Å; Q445-Q449 WeakPolarHBondContact O-CG 3.37Å; Q445-Q449 PolarHBondContact O-N 2.75Å
446	T	89.6	Confident	83.3	Confident	18 Å²	18	40.8 Å²	40.8	11%	0.11	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-40.5	177.7	-51.9	0	0	0	0	110.9	Y431 F432 N442 Y443 S444 Q449 I450	Y431-T446 HydrophobicContact CD1-CG2 4.42Å; F432-T446 HydrophobicContact CD1-CG2 3.83Å; F432-T446 HydrophobicContact CE1-CG2 3.49Å; F432-T446 VanDerWaalsContact CE1-CG2 3.49Å; F432-T446 HydrophobicContact CE2-CG2 4.24Å; F432-T446 HydrophobicContact CG-CG2 4.34Å; F432-T446 HydrophobicContact CZ-CG2 3.73Å; N442-T446 PolarHBondContact O-N 2.81Å; N442-T446 VanDerWaalsContact O-N 3.08Å; N442-T446 PolarHBondContact O-OG1 2.77Å; Y443-T446 WeakPolarHBondContact O-CB 3.14Å; Y443-T446 PolarHBondContact O-N 2.91Å; Y443-T446 VanDerWaalsContact O-N 3.16Å; S444-T446 VanDerWaalsContact C-N 3.31Å; S444-T446 PolarHBondContact O-N 2.95Å; T446-Q449 WeakPolarHBondContact O-CB 3.04Å; T446-Q449 PolarHBondContact O-N 2.94Å; T446-I450 HydrophobicContact CG2-CD1 4.28Å; T446-I450 WeakPolarHBondContact O-CG1 3.32Å; T446-I450 PolarHBondContact O-N 2.58Å
447	L	90.6	Very high	84.9	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-41.8	173.8	-65.1	-177	0	0	0	112.6	V391 M405 V411 F432 Y443 S444 Q445 Q449 I450 V451	V391-L447 HydrophobicContact CG1-CB 3.84Å; V391-L447 HydrophobicContact CG1-CD1 4.42Å; V391-L447 HydrophobicContact CG2-CB 4.49Å; M405-L447 HydrophobicContact CE-CD1 3.34Å; M405-L447 HydrophobicContact SD-CD1 4.13Å; V411-L447 HydrophobicContact CB-CD2 4.49Å; V411-L447 HydrophobicContact CG1-CB 4.21Å; V411-L447 HydrophobicContact CG1-CD2 3.93Å; V411-L447 HydrophobicContact CG1-CG 4.45Å; V411-L447 HydrophobicContact CG2-CD2 3.9Å; F432-L447 HydrophobicContact CZ-CD2 4.03Å; Y443-L447 HydrophobicContact CD1-CD1 3.94Å; Y443-L447 HydrophobicContact CD1-CG 4.28Å; Y443-L447 HydrophobicContact CE1-CD1 3.47Å; Y443-L447 VanDerWaalsContact CE1-CD1 3.47Å; Y443-L447 HydrophobicContact CE1-CD2 4.22Å; Y443-L447 HydrophobicContact CE1-CG 3.93Å; Y443-L447 WeakPolarHBondContact O-CG 3.29Å; Y443-L447 PolarHBondContact O-N 2.81Å; S444-L447 WeakPolarHBondContact O-CB 3.29Å; S444-L447 PolarHBondContact O-N 3.47Å; Q445-L447 VanDerWaalsContact C-N 3.3Å; Q445-L447 PolarHBondContact O-N 2.9Å; L447-Q449 VanDerWaalsContact C-N 3.31Å; L447-Q449 PolarHBondContact O-N 2.89Å; L447-I450 HydrophobicContact CD2-CD1 4.41Å; L447-I450 PolarHBondContact O-N 3.22Å; L447-V451 WeakPolarHBondContact O-CG2 3.1Å; L447-V451 PolarHBondContact O-N 2.96Å
448	I	91.5	Very high	86.4	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-58.8	-45.7	174.8	-69.6	161.7	0	0	0	110.1	I388 V391 S444 Q445 V451 T452 Q498	I388-I448 HydrophobicContact CG1-CD1 4.1Å; I388-I448 HydrophobicContact CG1-CG2 4.04Å; V391-I448 HydrophobicContact CB-CD1 4.45Å; V391-I448 HydrophobicContact CB-CG1 3.57Å; V391-I448 HydrophobicContact CG1-CG1 3.82Å; V391-I448 HydrophobicContact CG2-CB 4.46Å; V391-I448 HydrophobicContact CG2-CG1 3.77Å; S444-I448 WeakPolarHBondContact O-CG1 3.19Å; S444-I448 PolarHBondContact O-N 3.4Å; Q445-I448 WeakPolarHBondContact O-CB 3.23Å; Q445-I448 PolarHBondContact O-N 3.22Å; I448-V451 PolarHBondContact O-N 2.95Å; I448-T452 VanDerWaalsContact O-CB 3.23Å; I448-T452 WeakPolarHBondContact O-CB 3.28Å; I448-T452 PolarHBondContact O-N 2.85Å; I448-T452 PolarHBondContact O-OG1 2.84Å; I448-Q498 HydrophobicContact CD1-CB 3.87Å; I448-Q498 HydrophobicContact CD1-CG 3.67Å
449	Q	92.8	Very high	88	Confident	86 Å²	86	30.4 Å²	30.4	40%	0.402	16%	0.159	S	C	.	.	H	α-helix	trans	-59.6	-48.2	177	-70.8	174.8	-15.1	0	0	111.8	Y431 Q445 T446 L447 V451 T452 D453	Y431-Q449 HydrophobicContact CD1-CB 4.47Å; Y431-Q449 HydrophobicContact CE1-CB 4.17Å; Q445-Q449 WeakPolarHBondContact O-CG 3.37Å; Q445-Q449 PolarHBondContact O-N 2.75Å; T446-Q449 WeakPolarHBondContact O-CB 3.04Å; T446-Q449 PolarHBondContact O-N 2.94Å; L447-Q449 VanDerWaalsContact C-N 3.31Å; L447-Q449 PolarHBondContact O-N 2.89Å; Q449-V451 VanDerWaalsContact C-N 3.34Å; Q449-V451 PolarHBondContact O-N 2.98Å; Q449-T452 PolarHBondContact O-N 2.77Å; Q449-D453 WeakPolarHBondContact O-CB 3.47Å; Q449-D453 PolarHBondContact O-N 2.67Å
450	I	93.4	Very high	89.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.4	-47.3	178.2	-68.8	164	0	0	0	111.3	V411 I427 Y431 F432 T446 L447 Q454	V411-I450 HydrophobicContact CB-CG2 4.2Å; V411-I450 HydrophobicContact CG2-CG2 4.12Å; I427-I450 HydrophobicContact CG2-CD1 4.03Å; I427-I450 HydrophobicContact CG2-CG1 4.14Å; I427-I450 HydrophobicContact CG2-CG2 3.9Å; Y431-I450 HydrophobicContact CD1-CD1 4.47Å; Y431-I450 HydrophobicContact CD1-CG1 3.64Å; Y431-I450 HydrophobicContact CD2-CD1 4.19Å; Y431-I450 HydrophobicContact CD2-CG1 3.56Å; Y431-I450 HydrophobicContact CE1-CG1 3.93Å; Y431-I450 HydrophobicContact CE2-CG1 3.87Å; Y431-I450 HydrophobicContact CG-CD1 3.96Å; Y431-I450 HydrophobicContact CG-CG1 3.45Å; Y431-I450 VanDerWaalsContact CG-CG1 3.45Å; F432-I450 HydrophobicContact CE2-CD1 3.87Å; F432-I450 HydrophobicContact CZ-CD1 4.2Å; T446-I450 HydrophobicContact CG2-CD1 4.28Å; T446-I450 WeakPolarHBondContact O-CG1 3.32Å; T446-I450 PolarHBondContact O-N 2.58Å; L447-I450 HydrophobicContact CD2-CD1 4.41Å; L447-I450 PolarHBondContact O-N 3.22Å; I450-Q454 WeakPolarHBondContact O-CB 3.47Å; I450-Q454 PolarHBondContact O-N 3.01Å; I450-Q454 VanDerWaalsContact O-N 3.08Å
451	V	92.8	Very high	90.5	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-71.8	-43.3	-177.4	-173.3	0	0	0	0	110.8	F342 C387 Y390 V391 V411 L447 I448 Q449 N455	F342-V451 HydrophobicContact CD2-CG1 4.03Å; F342-V451 HydrophobicContact CE2-CG1 4.19Å; F342-V451 HydrophobicContact CG-CG1 4.39Å; C387-V451 HydrophobicContact CB-CB 3.81Å; C387-V451 HydrophobicContact CB-CG1 3.59Å; Y390-V451 HydrophobicContact CD1-CG1 3.98Å; Y390-V451 HydrophobicContact CD1-CG2 4.38Å; Y390-V451 HydrophobicContact CE1-CG1 4.34Å; Y390-V451 HydrophobicContact CE1-CG2 4.37Å; V391-V451 HydrophobicContact CG2-CB 4.47Å; V391-V451 HydrophobicContact CG2-CG2 4.09Å; V411-V451 HydrophobicContact CB-CG2 3.65Å; V411-V451 HydrophobicContact CG1-CG2 3.56Å; L447-V451 WeakPolarHBondContact O-CG2 3.1Å; L447-V451 PolarHBondContact O-N 2.96Å; I448-V451 PolarHBondContact O-N 2.95Å; Q449-V451 VanDerWaalsContact C-N 3.34Å; Q449-V451 PolarHBondContact O-N 2.98Å; V451-N455 WeakPolarHBondContact CG1-ND2 3.39Å; V451-N455 VanDerWaalsContact O-CB 3.3Å; V451-N455 WeakPolarHBondContact O-CB 3.3Å; V451-N455 PolarHBondContact O-N 2.71Å; V451-N455 VanDerWaalsContact O-N 3.09Å; V451-N455 PolarHBondContact O-ND2 3.49Å
452	T	94.9	Very high	91.7	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-57.7	-49.8	175.4	-70.4	0	0	0	0	111.4	E386 C387 I448 Q449 I456 Y457	E386-T452 HydrophobicContact CB-CG2 3.85Å; E386-T452 HydrophobicContact CG-CG2 3.89Å; E386-T452 PolarHBondContact N-OG1 3.01Å; C387-T452 PolarHBondContact N-OG1 3.2Å; I448-T452 VanDerWaalsContact O-CB 3.23Å; I448-T452 WeakPolarHBondContact O-CB 3.28Å; I448-T452 PolarHBondContact O-N 2.85Å; I448-T452 PolarHBondContact O-OG1 2.84Å; Q449-T452 PolarHBondContact O-N 2.77Å; T452-I456 PolarHBondContact O-N 3.39Å; T452-Y457 PolarHBondContact O-N 3.11Å
453	D	95.7	Very high	92.7	Very high	18 Å²	18	17 Å²	17	10%	0.096	8%	0.083	C	C	.	.	I	π-helix	trans	-62.4	-52.7	-177.3	-72.7	-15.5	0	0	0	110.9	Y431 Q449 N455 Y457 V458 P459 L590	Y431-D453 WeakPolarHBondContact CE1-OD2 3.34Å; Y431-D453 VanDerWaalsContact OH-CB 3.27Å; Y431-D453 WeakPolarHBondContact OH-CB 3.26Å; Y431-D453 PolarHBondContact OH-OD2 3.41Å; Q449-D453 WeakPolarHBondContact O-CB 3.47Å; Q449-D453 PolarHBondContact O-N 2.67Å; D453-N455 VanDerWaalsContact C-N 3.31Å; D453-N455 PolarHBondContact O-N 3.31Å; D453-Y457 WeakPolarHBondContact OD1-CD1 3.38Å; D453-V458 HydrophobicContact CB-CG2 3.99Å; D453-V458 WeakPolarHBondContact O-CB 3.47Å; D453-V458 WeakPolarHBondContact O-CG2 3.34Å; D453-V458 PolarHBondContact O-N 3.17Å; D453-P459 VanDerWaalsContact O-CD 3.32Å; D453-P459 WeakPolarHBondContact O-CD 3.42Å; D453-L590 HydrophobicContact CB-CD1 4.44Å; D453-L590 WeakPolarHBondContact OD2-CD1 3.41Å
454	Q	93	Very high	93.2	Very high	14 Å²	14	15.4 Å²	15.4	7%	0.065	8%	0.077	C	C	.	.	I	π-helix	trans	-62.8	-35.7	-176.7	-174.2	-172	172.5	0	0	113.1	V411 I450 W594	V411-Q454 PolarHBondContact O-NE2 3.03Å; I450-Q454 WeakPolarHBondContact O-CB 3.47Å; I450-Q454 PolarHBondContact O-N 3.01Å; I450-Q454 VanDerWaalsContact O-N 3.08Å; Q454-W594 HydrophobicContact CB-CH2 3.78Å; Q454-W594 HydrophobicContact CB-CZ2 4.07Å; Q454-W594 HydrophobicContact CB-CZ3 4.14Å; Q454-W594 HydrophobicContact CG-CH2 3.89Å; Q454-W594 HydrophobicContact CG-CZ3 3.84Å
455	N	92.3	Very high	93.7	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.011	8%	0.079	C	C	.	.	I	π-helix	trans	-103.3	-26.3	-167.3	-66.3	-80.6	0	0	0	114.5	S270 W272 F342 R416 V451 D453	S270-N455 WeakPolarHBondContact CB-O 3.38Å; S270-N455 PolarHBondContact OG-O 3.11Å; W272-N455 PolarHBondContact NE1-O 2.92Å; F342-N455 HydrophobicContact CD1-CB 4.38Å; F342-N455 HydrophobicContact CE1-CB 3.5Å; F342-N455 WeakPolarHBondContact CE1-OD1 3.34Å; F342-N455 HydrophobicContact CZ-CB 3.77Å; R416-N455 VanDerWaalsContact CZ-OD1 3.24Å; R416-N455 PolarHBondContact NH1-OD1 3.45Å; R416-N455 PolarHBondContact NH2-OD1 3.39Å; V451-N455 WeakPolarHBondContact CG1-ND2 3.39Å; V451-N455 VanDerWaalsContact O-CB 3.3Å; V451-N455 WeakPolarHBondContact O-CB 3.3Å; V451-N455 PolarHBondContact O-N 2.71Å; V451-N455 VanDerWaalsContact O-N 3.09Å; V451-N455 PolarHBondContact O-ND2 3.49Å; D453-N455 VanDerWaalsContact C-N 3.31Å; D453-N455 PolarHBondContact O-N 3.31Å
456	I	95.8	Very high	94.1	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.021	7%	0.065	C	C	.	.	I	π-helix	trans	-134	-57.3	-173.1	-52.3	-162.5	0	0	0	111.9	W272 T382 E386 T452 P459 A460	W272-I456 HydrophobicContact CZ2-CD1 4.44Å; W272-I456 HydrophobicContact CZ2-CG1 4.39Å; T382-I456 HydrophobicContact CG2-CG2 3.88Å; E386-I456 HydrophobicContact CB-CB 4.43Å; E386-I456 HydrophobicContact CB-CD1 3.89Å; E386-I456 HydrophobicContact CB-CG1 4.43Å; E386-I456 HydrophobicContact CG-CB 4.03Å; E386-I456 HydrophobicContact CG-CD1 4.05Å; E386-I456 HydrophobicContact CG-CG1 4.48Å; E386-I456 HydrophobicContact CG-CG2 3.96Å; T452-I456 PolarHBondContact O-N 3.39Å; I456-P459 WeakPolarHBondContact O-CD 3.34Å; I456-A460 WeakPolarHBondContact O-CB 3.21Å; I456-A460 PolarHBondContact O-N 3Å
457	Y	96.9	Very high	94.4	Very high	15 Å²	15	12.1 Å²	12.1	6%	0.059	6%	0.06	C	C	.	.	I	π-helix	trans	-69.4	-49.9	-168.7	-177.9	-126.8	0	0	0	113.5	T382 T452 D453 A460 I461 Q574 P587 L590	T382-Y457 HydrophobicContact CG2-CD2 4.1Å; T382-Y457 WeakPolarHBondContact OG1-CD2 3.39Å; T452-Y457 PolarHBondContact O-N 3.11Å; D453-Y457 WeakPolarHBondContact OD1-CD1 3.38Å; Y457-A460 WeakPolarHBondContact O-CB 3.41Å; Y457-A460 PolarHBondContact O-N 2.9Å; Y457-I461 HydrophobicContact CD1-CD1 3.99Å; Y457-I461 HydrophobicContact CD2-CD1 4.15Å; Y457-I461 HydrophobicContact CD2-CG1 4.42Å; Y457-I461 HydrophobicContact CE1-CD1 3.66Å; Y457-I461 HydrophobicContact CE2-CD1 3.81Å; Y457-I461 HydrophobicContact CE2-CG1 4.2Å; Y457-I461 HydrophobicContact CG-CD1 4.24Å; Y457-I461 WeakPolarHBondContact O-CG1 3.45Å; Y457-I461 PolarHBondContact O-N 2.75Å; Y457-Q574 PolarHBondContact OH-NE2 3.08Å; Y457-Q574 PolarHBondContact OH-OE1 2.89Å; Y457-P587 HydrophobicContact CE1-CG 3.93Å; Y457-P587 VanDerWaalsContact OH-CD 3.29Å; Y457-P587 WeakPolarHBondContact OH-CD 3.21Å; Y457-L590 HydrophobicContact CD1-CD2 3.92Å; Y457-L590 HydrophobicContact CE1-CD2 3.86Å
458	V	96.5	Very high	94.5	Very high	7 Å²	7	15 Å²	15	4%	0.042	7%	0.071	C	C	.	.	H	α-helix	trans	-66.7	-42.9	177.9	175.5	0	0	0	0	112.3	D453 A460 I461 K462 L590 L591 W594 T595	D453-V458 HydrophobicContact CB-CG2 3.99Å; D453-V458 WeakPolarHBondContact O-CB 3.47Å; D453-V458 WeakPolarHBondContact O-CG2 3.34Å; D453-V458 PolarHBondContact O-N 3.17Å; V458-A460 VanDerWaalsContact C-N 3.29Å; V458-A460 PolarHBondContact O-N 2.85Å; V458-I461 PolarHBondContact O-N 3.4Å; V458-I461 VanDerWaalsContact O-N 3.16Å; V458-K462 WeakPolarHBondContact O-CB 3.37Å; V458-K462 PolarHBondContact O-N 2.79Å; V458-L590 HydrophobicContact CG2-CD1 4.45Å; V458-L590 HydrophobicContact CG2-CD2 4.02Å; V458-L590 HydrophobicContact CG2-CG 3.91Å; V458-L591 HydrophobicContact CG1-CD1 4.11Å; V458-W594 HydrophobicContact CB-CB 4.45Å; V458-W594 HydrophobicContact CG1-CB 3.66Å; V458-W594 HydrophobicContact CG1-CG 4.21Å; V458-W594 HydrophobicContact CG2-CB 4.38Å; V458-W594 HydrophobicContact CG2-CG 4.1Å; V458-T595 HydrophobicContact CG1-CG2 4.15Å
459	P	96.7	Very high	94.6	Very high	10 Å²	10	22.2 Å²	22.2	7%	0.065	10%	0.103	C	C	.	.	H	α-helix	trans	-52.3	-45	171.1	-31.6	37.3	0	0	0	113.7	S267 L269 D453 I456 K462 E463	S267-P459 PolarHBondContact OG-O 3.25Å; L269-P459 HydrophobicContact CB-CB 4.25Å; D453-P459 VanDerWaalsContact O-CD 3.32Å; D453-P459 WeakPolarHBondContact O-CD 3.42Å; I456-P459 WeakPolarHBondContact O-CD 3.34Å; P459-K462 PolarHBondContact O-N 2.91Å; P459-E463 WeakPolarHBondContact O-CB 3.34Å; P459-E463 PolarHBondContact O-N 3.42Å
460	A	96.8	Very high	94.6	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.033	10%	0.102	C	C	.	.	H	α-helix	trans	-60.8	-45.8	175.8	0	0	0	0	0	111.8	I380 T382 I456 Y457 V458 K462 E463 M464	I380-A460 HydrophobicContact CD1-CB 3.79Å; I380-A460 HydrophobicContact CG1-CB 4.2Å; T382-A460 HydrophobicContact CG2-CB 4.03Å; I456-A460 WeakPolarHBondContact O-CB 3.21Å; I456-A460 PolarHBondContact O-N 3Å; Y457-A460 WeakPolarHBondContact O-CB 3.41Å; Y457-A460 PolarHBondContact O-N 2.9Å; V458-A460 VanDerWaalsContact C-N 3.29Å; V458-A460 PolarHBondContact O-N 2.85Å; A460-K462 PolarHBondContact O-N 3.25Å; A460-E463 PolarHBondContact O-N 3.14Å; A460-M464 WeakPolarHBondContact O-CG 3.32Å; A460-M464 PolarHBondContact O-N 3.3Å
461	I	94.6	Very high	94.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.2	-44.1	176	-61.6	165.6	0	0	0	111.7	Y457 V458 E463 M464 T465 V586 L591	Y457-I461 HydrophobicContact CD1-CD1 3.99Å; Y457-I461 HydrophobicContact CD2-CD1 4.15Å; Y457-I461 HydrophobicContact CD2-CG1 4.42Å; Y457-I461 HydrophobicContact CE1-CD1 3.66Å; Y457-I461 HydrophobicContact CE2-CD1 3.81Å; Y457-I461 HydrophobicContact CE2-CG1 4.2Å; Y457-I461 HydrophobicContact CG-CD1 4.24Å; Y457-I461 WeakPolarHBondContact O-CG1 3.45Å; Y457-I461 PolarHBondContact O-N 2.75Å; V458-I461 PolarHBondContact O-N 3.4Å; V458-I461 VanDerWaalsContact O-N 3.16Å; I461-E463 VanDerWaalsContact C-N 3.31Å; I461-E463 PolarHBondContact O-N 3.39Å; I461-M464 HydrophobicContact CB-CE 4.05Å; I461-M464 HydrophobicContact CG1-CE 3.74Å; I461-M464 HydrophobicContact CG2-CE 4.29Å; I461-M464 WeakPolarHBondContact O-CB 3.31Å; I461-M464 PolarHBondContact O-N 3.4Å; I461-T465 WeakPolarHBondContact O-CG2 3.25Å; I461-T465 PolarHBondContact O-N 3.26Å; I461-V586 HydrophobicContact CB-CG1 4.46Å; I461-V586 HydrophobicContact CD1-CG1 3.76Å; I461-V586 HydrophobicContact CG1-CG1 3.92Å; I461-V586 HydrophobicContact CG2-CG1 3.63Å; I461-L591 HydrophobicContact CB-CD1 4.17Å; I461-L591 HydrophobicContact CG2-CB 4.29Å; I461-L591 HydrophobicContact CG2-CD1 3.77Å; I461-L591 HydrophobicContact CG2-CD2 3.77Å; I461-L591 HydrophobicContact CG2-CG 4.15Å
462	K	94.9	Very high	94.6	Very high	45 Å²	45	30.8 Å²	30.8	20%	0.196	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-45.4	178.2	-170.9	180	-176.5	-177	0	110.4	L269 E367 V458 P459 A460 M464 T465 L466 L591 T595	L269-K462 HydrophobicContact CD1-CB 3.97Å; L269-K462 HydrophobicContact CD1-CD 3.91Å; L269-K462 HydrophobicContact CD1-CG 3.77Å; E367-K462 VanDerWaalsContact CD-CE 3.42Å; E367-K462 WeakPolarHBondContact OE1-CE 3.48Å; E367-K462 IonicContact OE1-NZ 2.73Å; E367-K462 PolarHBondContact OE1-NZ 3.46Å; E367-K462 WeakPolarHBondContact OE2-CE 3.47Å; E367-K462 IonicContact OE2-NZ 3.79Å; E367-K462 PolarHBondContact OE2-NZ 2.96Å; V458-K462 WeakPolarHBondContact O-CB 3.37Å; V458-K462 PolarHBondContact O-N 2.79Å; P459-K462 PolarHBondContact O-N 2.91Å; A460-K462 PolarHBondContact O-N 3.25Å; K462-M464 PolarHBondContact O-N 3.27Å; K462-T465 PolarHBondContact O-N 3.46Å; K462-T465 VanDerWaalsContact O-N 3.13Å; K462-T465 PolarHBondContact O-OG1 3.35Å; K462-L466 PolarHBondContact O-N 3.37Å; K462-L591 HydrophobicContact CB-CD1 4.16Å; K462-T595 HydrophobicContact CB-CG2 4.3Å; K462-T595 HydrophobicContact CD-CG2 3.79Å; K462-T595 HydrophobicContact CG-CG2 4.09Å
463	E	96.1	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.8	-43.8	175.8	178.8	158.5	-170.2	0	0	111.9	M263 S267 V268 L269 V370 P459 A460 I461 T465 L466 Y467	M263-E463 WeakPolarHBondContact CE-OE2 3.39Å; S267-E463 WeakPolarHBondContact CA-OE2 3.35Å; S267-E463 VanDerWaalsContact CB-OE2 3.31Å; S267-E463 WeakPolarHBondContact CB-OE2 3.23Å; S267-E463 PolarHBondContact OG-OE2 3.41Å; V268-E463 WeakPolarHBondContact CG2-OE1 3.39Å; V268-E463 PolarHBondContact N-OE2 3.27Å; L269-E463 HydrophobicContact CD1-CB 4.01Å; L269-E463 HydrophobicContact CG-CB 4.28Å; V370-E463 HydrophobicContact CG1-CG 4.08Å; P459-E463 WeakPolarHBondContact O-CB 3.34Å; P459-E463 PolarHBondContact O-N 3.42Å; A460-E463 PolarHBondContact O-N 3.14Å; I461-E463 VanDerWaalsContact C-N 3.31Å; I461-E463 PolarHBondContact O-N 3.39Å; E463-T465 VanDerWaalsContact C-N 3.29Å; E463-T465 PolarHBondContact O-N 3.26Å; E463-L466 PolarHBondContact O-N 3.46Å; E463-Y467 HydrophobicContact CG-CD2 3.95Å; E463-Y467 HydrophobicContact CG-CE2 3.85Å; E463-Y467 WeakPolarHBondContact O-CD2 3.18Å; E463-Y467 PolarHBondContact O-N 3.17Å
464	M	94.3	Very high	94.6	Very high	6 Å²	6	32 Å²	32	3%	0.03	15%	0.151	C	C	.	.	H	α-helix	trans	-55.7	-42.2	173.5	-67.9	-168.4	-73.5	0	0	112.5	I380 A460 I461 K462 L466 Y467 R468 I474 A476 F567	I380-M464 HydrophobicContact CG2-CG 3.46Å; I380-M464 VanDerWaalsContact CG2-CG 3.46Å; I380-M464 HydrophobicContact CG2-SD 3.44Å; I380-M464 WeakPolarHBondContact CG2-SD 2.97Å; A460-M464 WeakPolarHBondContact O-CG 3.32Å; A460-M464 PolarHBondContact O-N 3.3Å; I461-M464 HydrophobicContact CB-CE 4.05Å; I461-M464 HydrophobicContact CG1-CE 3.74Å; I461-M464 HydrophobicContact CG2-CE 4.29Å; I461-M464 WeakPolarHBondContact O-CB 3.31Å; I461-M464 PolarHBondContact O-N 3.4Å; K462-M464 PolarHBondContact O-N 3.27Å; M464-L466 VanDerWaalsContact C-N 3.26Å; M464-L466 PolarHBondContact O-N 3.47Å; M464-Y467 PolarHBondContact O-N 2.85Å; M464-R468 WeakPolarHBondContact O-CB 3.3Å; M464-R468 PolarHBondContact O-N 2.93Å; M464-I474 HydrophobicContact CB-CD1 4.49Å; M464-I474 HydrophobicContact CB-CG2 4.32Å; M464-I474 HydrophobicContact CG-CG2 3.83Å; M464-I474 VanDerWaalsContact O-CD1 3.22Å; M464-I474 WeakPolarHBondContact O-CD1 3.33Å; M464-I474 HydrophobicContact SD-CG2 3.89Å; M464-A476 HydrophobicContact CE-CB 4.04Å; M464-A476 HydrophobicContact SD-CB 3.4Å; M464-A476 WeakPolarHBondContact SD-CB 3.32Å; M464-F567 HydrophobicContact CB-CD1 4.28Å; M464-F567 HydrophobicContact CB-CE1 4.18Å
465	T	92.7	Very high	94.7	Very high	24 Å²	24	32.2 Å²	32.2	15%	0.147	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-32.2	179	70.6	0	0	0	0	112.8	I461 K462 E463 R468 K469 L591	I461-T465 WeakPolarHBondContact O-CG2 3.25Å; I461-T465 PolarHBondContact O-N 3.26Å; K462-T465 PolarHBondContact O-N 3.46Å; K462-T465 VanDerWaalsContact O-N 3.13Å; K462-T465 PolarHBondContact O-OG1 3.35Å; E463-T465 VanDerWaalsContact C-N 3.29Å; E463-T465 PolarHBondContact O-N 3.26Å; T465-R468 PolarHBondContact O-N 3.36Å; T465-K469 WeakPolarHBondContact O-CG 3.47Å; T465-K469 PolarHBondContact O-N 2.89Å; T465-L591 HydrophobicContact CG2-CD2 3.66Å
466	L	94.5	Very high	94.9	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.047	15%	0.151	C	C	.	.	H	α-helix	trans	-73.2	-41.9	176.4	-60.9	178.4	0	0	0	111.5	L269 E367 V370 A371 K462 E463 M464 R468 K469	L269-L466 HydrophobicContact CD1-CD1 3.92Å; E367-L466 HydrophobicContact CG-CD1 4.09Å; V370-L466 HydrophobicContact CB-CD1 3.9Å; V370-L466 HydrophobicContact CG1-CB 3.69Å; V370-L466 HydrophobicContact CG1-CD1 3.77Å; V370-L466 HydrophobicContact CG1-CG 4.39Å; A371-L466 HydrophobicContact CB-CD1 4.49Å; A371-L466 HydrophobicContact CB-CD2 4.2Å; K462-L466 PolarHBondContact O-N 3.37Å; E463-L466 PolarHBondContact O-N 3.46Å; M464-L466 VanDerWaalsContact C-N 3.26Å; M464-L466 PolarHBondContact O-N 3.47Å; L466-R468 VanDerWaalsContact C-N 3.28Å; L466-R468 PolarHBondContact O-N 3.2Å; L466-K469 PolarHBondContact O-N 3.45Å
467	Y	95.1	Very high	95	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-61.4	-37.7	171.9	-87.9	-109.5	0	0	0	111.7	T250 V370 A374 L376 L378 E463 M464 K469 K470 L472	T250-Y467 HydrophobicContact CG2-CE2 4.22Å; T250-Y467 WeakPolarHBondContact CG2-OH 3.21Å; V370-Y467 HydrophobicContact CG1-CD2 3.88Å; V370-Y467 HydrophobicContact CG1-CE2 3.78Å; A374-Y467 HydrophobicContact CB-CD1 3.89Å; A374-Y467 HydrophobicContact CB-CD2 3.75Å; A374-Y467 HydrophobicContact CB-CE1 3.86Å; A374-Y467 HydrophobicContact CB-CE2 3.76Å; A374-Y467 HydrophobicContact CB-CG 3.83Å; L376-Y467 WeakPolarHBondContact O-CE1 3.22Å; L378-Y467 HydrophobicContact CB-CD1 4.06Å; L378-Y467 HydrophobicContact CB-CE1 4.07Å; L378-Y467 HydrophobicContact CD2-CD1 4.12Å; L378-Y467 HydrophobicContact CD2-CD2 4.1Å; L378-Y467 HydrophobicContact CD2-CE1 4.16Å; L378-Y467 HydrophobicContact CD2-CE2 4.11Å; L378-Y467 HydrophobicContact CD2-CG 4.1Å; E463-Y467 HydrophobicContact CG-CD2 3.95Å; E463-Y467 HydrophobicContact CG-CE2 3.85Å; E463-Y467 WeakPolarHBondContact O-CD2 3.18Å; E463-Y467 PolarHBondContact O-N 3.17Å; M464-Y467 PolarHBondContact O-N 2.85Å; Y467-K469 VanDerWaalsContact C-N 3.33Å; Y467-K469 PolarHBondContact O-N 3.36Å; Y467-K470 WeakPolarHBondContact O-CA 3.47Å; Y467-K470 WeakPolarHBondContact O-CB 3.32Å; Y467-K470 PolarHBondContact O-N 2.98Å; Y467-L472 HydrophobicContact CD1-CB 4.42Å; Y467-L472 HydrophobicContact CD1-CD1 3.64Å; Y467-L472 HydrophobicContact CE1-CD1 4.21Å; Y467-L472 HydrophobicContact CG-CD1 4.42Å
468	R	92.5	Very high	95	Very high	62 Å²	62	33 Å²	33	23%	0.234	16%	0.155	C	C	.	.	H	α-helix	trans	-67.9	-33.6	-179.1	-175.2	55.6	-176.1	158.6	1.7	112.3	M464 T465 L466 K470 H471 I474 F567 D568 V569	M464-R468 WeakPolarHBondContact O-CB 3.3Å; M464-R468 PolarHBondContact O-N 2.93Å; T465-R468 PolarHBondContact O-N 3.36Å; L466-R468 VanDerWaalsContact C-N 3.28Å; L466-R468 PolarHBondContact O-N 3.2Å; R468-K470 PolarHBondContact O-N 3.3Å; R468-K470 VanDerWaalsContact O-N 3.14Å; R468-H471 WeakPolarHBondContact O-CA 3.36Å; R468-H471 PolarHBondContact O-N 3.45Å; R468-I474 HydrophobicContact CB-CD1 3.88Å; R468-F567 HydrophobicContact CB-CE1 4.49Å; R468-D568 IonicContact CZ-OD1 3.34Å; R468-D568 IonicContact NE-OD1 3.51Å; R468-D568 PolarHBondContact NE-OD1 3.32Å; R468-D568 IonicContact NH2-OD1 2.89Å; R468-D568 PolarHBondContact NH2-OD1 2.86Å; R468-D568 IonicContact NH2-OD2 3.87Å; R468-D568 PolarHBondContact NH2-OD2 2.78Å; R468-V569 HydrophobicContact CB-CG2 3.9Å; R468-V569 HydrophobicContact CG-CB 4.38Å; R468-V569 HydrophobicContact CG-CG2 3.61Å
469	K	93.4	Very high	95.1	Very high	156 Å²	156	32.7 Å²	32.7	68%	0.678	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.3	171.1	-72.3	175.1	-179.8	179.1	0	113.3	T465 L466 Y467	T465-K469 WeakPolarHBondContact O-CG 3.47Å; T465-K469 PolarHBondContact O-N 2.89Å; L466-K469 PolarHBondContact O-N 3.45Å; Y467-K469 VanDerWaalsContact C-N 3.33Å; Y467-K469 PolarHBondContact O-N 3.36Å
470	K	94.1	Very high	95.1	Very high	88 Å²	88	35.8 Å²	35.8	38%	0.383	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	7.3	172.7	-62.1	-72.1	-179.5	169.3	0	113.5	A371 E372 A374 Y467 R468 L472	A371-K470 WeakPolarHBondContact O-CE 3.45Å; A371-K470 PolarHBondContact O-NZ 2.84Å; A371-K470 VanDerWaalsContact O-NZ 3.13Å; E372-K470 PolarHBondContact O-NZ 3.22Å; A374-K470 HydrophobicContact CB-CG 4.31Å; Y467-K470 WeakPolarHBondContact O-CA 3.47Å; Y467-K470 WeakPolarHBondContact O-CB 3.32Å; Y467-K470 PolarHBondContact O-N 2.98Å; R468-K470 PolarHBondContact O-N 3.3Å; R468-K470 VanDerWaalsContact O-N 3.14Å; K470-L472 HydrophobicContact CB-CD1 3.84Å; K470-L472 HydrophobicContact CB-CG 3.93Å; K470-L472 PolarHBondContact O-N 2.03Å
471	H	92.9	Very high	95	Very high	155 Å²	155	35.7 Å²	35.7	72%	0.718	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	26.7	-177.3	-51.8	-72.4	0	0	0	114.2	R468	R468-H471 WeakPolarHBondContact O-CA 3.36Å; R468-H471 PolarHBondContact O-N 3.45Å
472	L	93.2	Very high	94.8	Very high	24 Å²	24	37 Å²	37	13%	0.126	18%	0.176	C	C	.	.			trans	-82.6	145.4	178.4	-63.3	167.5	0	0	0	110.9	A374 Y467 K470	A374-L472 HydrophobicContact CB-CD1 4.13Å; Y467-L472 HydrophobicContact CD1-CB 4.42Å; Y467-L472 HydrophobicContact CD1-CD1 3.64Å; Y467-L472 HydrophobicContact CE1-CD1 4.21Å; Y467-L472 HydrophobicContact CG-CD1 4.42Å; K470-L472 HydrophobicContact CB-CD1 3.84Å; K470-L472 HydrophobicContact CB-CG 3.93Å; K470-L472 PolarHBondContact O-N 2.03Å
473	P	93.9	Very high	94.6	Very high	47 Å²	47	35.7 Å²	35.7	31%	0.305	17%	0.171	S	C	.	.			trans	-72.6	129.2	173.1	29.8	-32.7	0	0	0	110.1	P377 L378 Y475	P377-P473 WeakPolarHBondContact CA-O 3.26Å; P377-P473 HydrophobicContact CB-CG 3.78Å; P377-P473 HydrophobicContact CG-CG 3.67Å; L378-P473 PolarHBondContact N-O 3.45Å; L378-P473 VanDerWaalsContact N-O 3.09Å; P473-Y475 HydrophobicContact CB-CE2 4.33Å
474	I	95.8	Very high	94	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.9	-179.7	-57.4	152.1	0	0	0	108.3	L378 I380 M464 R468 S566 F567	L378-I474 CarbonylContact O-C 3.6Å; L378-I474 VanDerWaalsContact O-CA 3.25Å; L378-I474 WeakPolarHBondContact O-CA 3.08Å; I380-I474 HydrophobicContact CG2-CG2 4.1Å; M464-I474 HydrophobicContact CB-CD1 4.49Å; M464-I474 HydrophobicContact CB-CG2 4.32Å; M464-I474 HydrophobicContact CG-CG2 3.83Å; M464-I474 VanDerWaalsContact O-CD1 3.22Å; M464-I474 WeakPolarHBondContact O-CD1 3.33Å; M464-I474 HydrophobicContact SD-CG2 3.89Å; R468-I474 HydrophobicContact CB-CD1 3.88Å; I474-S566 PolarHBondContact N-OG 2.68Å; I474-S566 CarbonylContact O-C 3.52Å; I474-S566 WeakPolarHBondContact O-CA 3.45Å; I474-S566 PolarHBondContact O-OG 2.88Å; I474-F567 HydrophobicContact CB-CB 4.11Å; I474-F567 HydrophobicContact CD1-CD1 4.18Å; I474-F567 HydrophobicContact CG2-CB 4.19Å; I474-F567 PolarHBondContact O-N 3.22Å
475	Y	96	Very high	93.7	Very high	17 Å²	17	46.3 Å²	46.3	7%	0.067	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	108.2	173.7	-63	-85.8	0	0	0	109.3	L378 M379 I380 P473 F543 G547 N548 P549 W564	L378-Y475 PolarHBondContact O-N 3Å; M379-Y475 WeakPolarHBondContact CA-O 3.42Å; I380-Y475 PolarHBondContact N-O 2.74Å; P473-Y475 HydrophobicContact CB-CE2 4.33Å; Y475-F543 HydrophobicContact CD2-CD2 4.14Å; Y475-F543 AromaticContact CD2-CE2 3.83Å; Y475-F543 HydrophobicContact CD2-CE2 3.83Å; Y475-F543 HydrophobicContact CE2-CE2 4.31Å; Y475-G547 WeakPolarHBondContact CE2-O 3.45Å; Y475-N548 PolarHBondContact OH-ND2 3Å; Y475-P549 VanDerWaalsContact CD1-CD 3.41Å; Y475-P549 HydrophobicContact CD1-CG 3.51Å; Y475-P549 HydrophobicContact CD2-CG 4.39Å; Y475-P549 HydrophobicContact CE1-CG 4.02Å; Y475-P549 VanDerWaalsContact CG-CD 3.41Å; Y475-P549 HydrophobicContact CG-CG 3.71Å; Y475-W564 HydrophobicContact CD1-CG 4.31Å; Y475-W564 WeakPolarHBondContact CE1-O 3.31Å
476	A	96.4	Very high	93.5	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.017	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	140.3	-175.5	0	0	0	0	0	111.2	I380 M464 W564 Q574 M575	I380-A476 CarbonylContact O-C 3.55Å; I380-A476 WeakPolarHBondContact O-CA 3.44Å; M464-A476 HydrophobicContact CE-CB 4.04Å; M464-A476 HydrophobicContact SD-CB 3.4Å; M464-A476 WeakPolarHBondContact SD-CB 3.32Å; A476-W564 WeakPolarHBondContact O-CZ2 3.42Å; A476-W564 PolarHBondContact O-NE1 2.73Å; A476-Q574 HydrophobicContact CB-CB 3.69Å; A476-Q574 WeakPolarHBondContact O-CA 3.41Å; A476-M575 PolarHBondContact O-N 3.07Å
477	Y	97.3	Very high	93	Very high	7 Å²	7	45.6 Å²	45.6	3%	0.027	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	160.8	165	71.4	-78.6	0	0	0	113.9	R264 I380 G381 T382 F479 D505 W564 M575 I577	R264-Y477 WeakPolarHBondContact CG-OH 3.34Å; R264-Y477 PolarHBondContact NE-OH 3.2Å; R264-Y477 PolarHBondContact NH2-OH 2.85Å; I380-Y477 WeakPolarHBondContact O-CD1 3.27Å; I380-Y477 PolarHBondContact O-N 2.84Å; G381-Y477 CarbonylContact C-O 3.2Å; G381-Y477 VanDerWaalsContact CA-CE1 3.43Å; G381-Y477 WeakPolarHBondContact CA-O 3.27Å; T382-Y477 PolarHBondContact N-O 2.81Å; T382-Y477 VanDerWaalsContact N-O 3.16Å; Y477-F479 HydrophobicContact CD2-CB 4.27Å; Y477-F479 HydrophobicContact CE2-CB 4.09Å; Y477-D505 PolarHBondContact OH-OD2 2.83Å; Y477-W564 AromaticContact CD1-CH2 3.93Å; Y477-W564 HydrophobicContact CD1-CH2 3.93Å; Y477-W564 AromaticContact CD1-CZ2 3.95Å; Y477-W564 HydrophobicContact CD1-CZ2 3.95Å; Y477-W564 HydrophobicContact CG-CH2 4.07Å; Y477-W564 HydrophobicContact CG-CZ2 4.11Å; Y477-M575 CarbonylContact C-O 3.48Å; Y477-M575 WeakPolarHBondContact CA-O 3.26Å; Y477-M575 WeakPolarHBondContact CB-O 3.48Å; Y477-I577 HydrophobicContact CD2-CD1 3.77Å; Y477-I577 HydrophobicContact CD2-CG1 4.46Å; Y477-I577 HydrophobicContact CG-CD1 4.02Å
478	Q	97.4	Very high	92.6	Very high	30 Å²	30	49 Å²	49	14%	0.14	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.4	162.5	-174.7	171.3	38.1	0	0	108.7	T382 Q574 M575 T576 I577	T382-Q478 CarbonylContact O-C 3.57Å; T382-Q478 VanDerWaalsContact O-CA 3.26Å; T382-Q478 WeakPolarHBondContact O-CA 3.27Å; Q478-Q574 VanDerWaalsContact CB-NE2 3.34Å; Q478-M575 PolarHBondContact N-O 2.79Å; Q478-T576 CarbonylContact O-C 3.53Å; Q478-T576 VanDerWaalsContact O-CA 3.29Å; Q478-T576 WeakPolarHBondContact O-CA 3.38Å; Q478-I577 PolarHBondContact O-N 2.88Å
479	F	98.1	Very high	92.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.6	177.2	-174.5	-95.9	0	0	0	109.8	T382 T383 S384 Y477 Y481 A500 F504 D505 Y508 I532 L536 I577	T382-F479 PolarHBondContact O-N 3.36Å; T383-F479 CarbonylContact C-O 3.35Å; T383-F479 VanDerWaalsContact CA-O 3.27Å; T383-F479 WeakPolarHBondContact CA-O 3.4Å; T383-F479 HydrophobicContact CG2-CB 4.31Å; T383-F479 HydrophobicContact CG2-CD1 4.4Å; S384-F479 PolarHBondContact N-O 2.85Å; S384-F479 PolarHBondContact OG-O 3.18Å; Y477-F479 HydrophobicContact CD2-CB 4.27Å; Y477-F479 HydrophobicContact CE2-CB 4.09Å; F479-Y481 WeakPolarHBondContact CE1-O 3.39Å; F479-Y481 HydrophobicContact CZ-CD1 4.28Å; F479-A500 HydrophobicContact CD1-CB 3.58Å; F479-A500 HydrophobicContact CE1-CB 3.95Å; F479-A500 WeakPolarHBondContact O-CB 3.17Å; F479-F504 HydrophobicContact CD1-CB 4.48Å; F479-F504 HydrophobicContact CE1-CB 4.09Å; F479-D505 HydrophobicContact CB-CB 3.96Å; F479-D505 HydrophobicContact CD1-CB 3.76Å; F479-D505 HydrophobicContact CD2-CB 3.76Å; F479-D505 HydrophobicContact CE1-CB 4.18Å; F479-D505 HydrophobicContact CE2-CB 4.19Å; F479-D505 HydrophobicContact CG-CB 3.54Å; F479-D505 HydrophobicContact CZ-CB 4.39Å; F479-Y508 AromaticContact CE1-CD2 3.84Å; F479-Y508 HydrophobicContact CE1-CD2 3.84Å; F479-Y508 AromaticContact CE1-CE2 3.95Å; F479-Y508 HydrophobicContact CE1-CE2 3.95Å; F479-Y508 HydrophobicContact CE2-CD2 4.4Å; F479-Y508 AromaticContact CZ-CD2 3.36Å; F479-Y508 HydrophobicContact CZ-CD2 3.36Å; F479-Y508 AromaticContact CZ-CE2 3.73Å; F479-Y508 HydrophobicContact CZ-CE2 3.73Å; F479-Y508 HydrophobicContact CZ-CG 4.25Å; F479-I532 HydrophobicContact CE2-CG2 3.62Å; F479-I532 HydrophobicContact CZ-CG2 3.92Å; F479-L536 HydrophobicContact CD2-CD1 4.46Å; F479-L536 HydrophobicContact CD2-CD2 4.33Å; F479-L536 HydrophobicContact CE2-CD1 3.95Å; F479-I577 HydrophobicContact CD2-CB 3.97Å; F479-I577 HydrophobicContact CD2-CG2 3.88Å; F479-I577 HydrophobicContact CE2-CG2 4.06Å
480	D	96.4	Very high	91.6	Very high	74 Å²	74	45.2 Å²	45.2	40%	0.396	22%	0.222	S	C	.	.			trans	-130.1	0.1	-172.5	-169.9	49	0	0	0	113	S384 T576 I577	S384-D480 WeakPolarHBondContact CB-OD1 3.44Å; S384-D480 PolarHBondContact OG-OD1 2.5Å; D480-T576 HydrophobicContact CB-CG2 4.06Å; D480-I577 PolarHBondContact N-O 2.84Å
481	Y	95.9	Very high	91	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.012	21%	0.206	C	C	.	.			trans	-77.4	131.9	178	-179.9	-107	0	0	0	112.5	F479 Y508 M528 D529 I532 I577 R579	F479-Y481 WeakPolarHBondContact CE1-O 3.39Å; F479-Y481 HydrophobicContact CZ-CD1 4.28Å; Y481-Y508 HydrophobicContact CD1-CD1 4.46Å; Y481-Y508 HydrophobicContact CD1-CD2 4.36Å; Y481-Y508 AromaticContact CD1-CE1 3.85Å; Y481-Y508 HydrophobicContact CD1-CE1 3.85Å; Y481-Y508 AromaticContact CD1-CE2 3.72Å; Y481-Y508 HydrophobicContact CD1-CE2 3.72Å; Y481-Y508 AromaticContact CD1-CZ 3.43Å; Y481-Y508 VanDerWaalsContact CD1-CZ 3.43Å; Y481-Y508 HydrophobicContact CE1-CD1 4.29Å; Y481-Y508 AromaticContact CE1-CE1 3.46Å; Y481-Y508 HydrophobicContact CE1-CE1 3.46Å; Y481-Y508 VanDerWaalsContact CE1-CE1 3.46Å; Y481-Y508 HydrophobicContact CE1-CE2 4.15Å; Y481-Y508 AromaticContact CE1-CZ 3.37Å; Y481-Y508 VanDerWaalsContact CE1-OH 3.26Å; Y481-Y508 WeakPolarHBondContact CE1-OH 3.44Å; Y481-M528 HydrophobicContact CD2-CG 4.49Å; Y481-M528 HydrophobicContact CE2-CG 3.54Å; Y481-M528 WeakPolarHBondContact OH-CG 3.26Å; Y481-D529 WeakPolarHBondContact CE1-OD1 3.35Å; Y481-D529 PolarHBondContact OH-OD1 2.87Å; Y481-I532 HydrophobicContact CD1-CB 4.3Å; Y481-I532 HydrophobicContact CD1-CD1 4.31Å; Y481-I532 HydrophobicContact CD1-CG1 3.66Å; Y481-I532 HydrophobicContact CD1-CG2 4.2Å; Y481-I532 HydrophobicContact CD2-CD1 4.43Å; Y481-I532 HydrophobicContact CD2-CG1 4.31Å; Y481-I532 HydrophobicContact CE1-CG1 3.95Å; Y481-I532 HydrophobicContact CG-CD1 4.01Å; Y481-I532 HydrophobicContact CG-CG1 3.84Å; Y481-I577 PolarHBondContact N-O 3.12Å; Y481-R579 HydrophobicContact CD2-CG 3.84Å; Y481-R579 HydrophobicContact CE2-CG 3.9Å
482	V	89.7	Confident	90.3	Very high	27 Å²	27	39.8 Å²	39.8	16%	0.164	20%	0.203	C	C	.	.			trans	-137.8	130.2	171.5	-177.1	0	0	0	0	110.1	Q487 G499 A500 F504	V482-Q487 HydrophobicContact CG1-CB 4.06Å; V482-G499 VanDerWaalsContact CG2-O 3.32Å; V482-G499 WeakPolarHBondContact CG2-O 3.37Å; V482-A500 HydrophobicContact CG2-CB 3.72Å; V482-F504 HydrophobicContact CG1-CD2 4.42Å; V482-F504 HydrophobicContact CG1-CE2 4.05Å; V482-F504 HydrophobicContact CG2-CD2 4.15Å; V482-F504 HydrophobicContact CG2-CE2 4.43Å
483	D	90.2	Very high	89.6	Confident	18 Å²	18	43.5 Å²	43.5	10%	0.096	22%	0.218	C	C	.	.			trans	-86.9	131.2	161.4	-174.6	-88	0	0	0	109.5	N485 L486 Q487 Y508 N526	D483-N485 PolarHBondContact O-N 2.95Å; D483-N485 WeakPolarHBondContact OD1-CA 3.39Å; D483-N485 WeakPolarHBondContact OD1-CB 3.32Å; D483-N485 PolarHBondContact OD1-N 2.75Å; D483-N485 PolarHBondContact OD1-ND2 3.27Å; D483-L486 HydrophobicContact CB-CB 4.26Å; D483-L486 WeakPolarHBondContact O-CB 3.22Å; D483-L486 PolarHBondContact O-N 3Å; D483-L486 VanDerWaalsContact O-N 3.11Å; D483-L486 PolarHBondContact OD1-N 3.33Å; D483-Q487 PolarHBondContact O-N 2.67Å; D483-Y508 WeakPolarHBondContact CB-OH 3.49Å; D483-Y508 PolarHBondContact N-OH 3.45Å; D483-N526 PolarHBondContact OD2-ND2 3.13Å
484	E	85.5	Confident	88.9	Confident	127 Å²	127	41.7 Å²	41.7	59%	0.593	21%	0.207	S	C	*	.	H	α-helix	trans	-61	-34.4	-177.4	-67.8	-179.2	-169.8	0	0	112.1	L486 Q487 L488	E484-L486 VanDerWaalsContact C-N 3.33Å; E484-L486 PolarHBondContact O-N 2.87Å; E484-Q487 PolarHBondContact O-N 2.81Å; E484-L488 VanDerWaalsContact O-CB 3.31Å; E484-L488 WeakPolarHBondContact O-CB 3.31Å; E484-L488 WeakPolarHBondContact O-CG 3.26Å; E484-L488 PolarHBondContact O-N 3.32Å
485	N	87.4	Confident	88.2	Confident	102 Å²	102	43.1 Å²	43.1	55%	0.545	21%	0.214	S	C	.	.	H	α-helix	trans	-68.6	-35.2	178	-59.4	-56.5	0	0	0	111.5	D483 L488 K489	D483-N485 PolarHBondContact O-N 2.95Å; D483-N485 WeakPolarHBondContact OD1-CA 3.39Å; D483-N485 WeakPolarHBondContact OD1-CB 3.32Å; D483-N485 PolarHBondContact OD1-N 2.75Å; D483-N485 PolarHBondContact OD1-ND2 3.27Å; N485-L488 PolarHBondContact O-N 2.87Å; N485-K489 WeakPolarHBondContact O-CG 3.04Å; N485-K489 PolarHBondContact O-N 3.15Å
486	L	88.3	Confident	87.5	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-51.5	174.3	174.1	65.1	0	0	0	110.3	D483 E484 L488 K489 H490 F504 V507 Y508 M513 L523	D483-L486 HydrophobicContact CB-CB 4.26Å; D483-L486 WeakPolarHBondContact O-CB 3.22Å; D483-L486 PolarHBondContact O-N 3Å; D483-L486 VanDerWaalsContact O-N 3.11Å; D483-L486 PolarHBondContact OD1-N 3.33Å; E484-L486 VanDerWaalsContact C-N 3.33Å; E484-L486 PolarHBondContact O-N 2.87Å; L486-L488 VanDerWaalsContact C-N 3.32Å; L486-L488 PolarHBondContact O-N 2.82Å; L486-K489 PolarHBondContact O-N 3.26Å; L486-H490 PolarHBondContact O-N 3.16Å; L486-H490 VanDerWaalsContact O-N 3.12Å; L486-F504 HydrophobicContact CD2-CD2 3.8Å; L486-F504 HydrophobicContact CD2-CE2 3.87Å; L486-F504 HydrophobicContact CD2-CG 4.2Å; L486-F504 HydrophobicContact CD2-CZ 4.3Å; L486-F504 HydrophobicContact CG-CE2 4.11Å; L486-F504 HydrophobicContact CG-CZ 4.22Å; L486-V507 HydrophobicContact CD1-CG1 3.78Å; L486-V507 HydrophobicContact CD2-CG1 4.14Å; L486-Y508 HydrophobicContact CD2-CE2 3.8Å; L486-M513 HydrophobicContact CD1-SD 3.59Å; L486-M513 VanDerWaalsContact CD1-SD 3.59Å; L486-L523 HydrophobicContact CD1-CD1 3.54Å; L486-L523 HydrophobicContact CD1-CD2 3.96Å; L486-L523 HydrophobicContact CD1-CG 4.43Å
487	Q	84.7	Confident	86.8	Confident	12 Å²	12	53.8 Å²	53.8	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-43.3	178.8	-169.5	176.9	14.9	0	0	111.1	V482 D483 E484 K489 L491 N492 I495	V482-Q487 HydrophobicContact CG1-CB 4.06Å; D483-Q487 PolarHBondContact O-N 2.67Å; E484-Q487 PolarHBondContact O-N 2.81Å; Q487-K489 VanDerWaalsContact C-N 3.31Å; Q487-K489 PolarHBondContact O-N 3Å; Q487-L491 HydrophobicContact CG-CB 4.41Å; Q487-L491 CarbonylContact O-C 3.53Å; Q487-L491 WeakPolarHBondContact O-CA 3.23Å; Q487-L491 PolarHBondContact O-N 2.84Å; Q487-N492 PolarHBondContact O-N 2.73Å; Q487-I495 PolarHBondContact NE2-O 2.89Å
488	L	85.2	Confident	86.2	Confident	73 Å²	73	54.1 Å²	54.1	38%	0.382	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-33.2	177.7	-75.5	170.9	0	0	0	113.6	E484 N485 L486 N492	E484-L488 VanDerWaalsContact O-CB 3.31Å; E484-L488 WeakPolarHBondContact O-CB 3.31Å; E484-L488 WeakPolarHBondContact O-CG 3.26Å; E484-L488 PolarHBondContact O-N 3.32Å; N485-L488 PolarHBondContact O-N 2.87Å; L486-L488 VanDerWaalsContact C-N 3.32Å; L486-L488 PolarHBondContact O-N 2.82Å; L488-N492 WeakPolarHBondContact O-CB 3.46Å
489	K	84.8	Confident	85.9	Confident	106 Å²	106	53.7 Å²	53.7	46%	0.461	27%	0.272	S	S	.	.	H	α-helix	trans	-82.9	-36.5	-179.5	-72.9	-165	-171.6	-167.1	0	113.8	N485 L486 Q487 I521 E522 L523	N485-K489 WeakPolarHBondContact O-CG 3.04Å; N485-K489 PolarHBondContact O-N 3.15Å; L486-K489 PolarHBondContact O-N 3.26Å; Q487-K489 VanDerWaalsContact C-N 3.31Å; Q487-K489 PolarHBondContact O-N 3Å; K489-I521 HydrophobicContact CB-CG2 3.87Å; K489-I521 HydrophobicContact CD-CG2 4.03Å; K489-E522 WeakPolarHBondContact CD-O 3.27Å; K489-E522 PolarHBondContact NZ-O 3.47Å; K489-L523 HydrophobicContact CB-CD2 4.47Å; K489-L523 HydrophobicContact CD-CD2 3.96Å
490	H	80.2	Confident	85.7	Confident	33 Å²	33	53.7 Å²	53.7	15%	0.153	27%	0.272	C	S	.	.	H	α-helix	trans	-93.6	-40.7	-176.3	178.5	54.3	0	0	0	112.9	L486 F504 M513 D517	L486-H490 PolarHBondContact O-N 3.16Å; L486-H490 VanDerWaalsContact O-N 3.12Å; H490-F504 AromaticContact CD2-CE1 3.88Å; H490-M513 HydrophobicContact CB-CE 3.86Å; H490-M513 HydrophobicContact CB-SD 4.28Å; H490-M513 WeakPolarHBondContact ND1-CE 3.47Å; H490-D517 IonicContact CE1-OD2 3.63Å; H490-D517 PolarHBondContact CE1-OD2 2.94Å; H490-D517 VanDerWaalsContact CE1-OD2 3.27Å; H490-D517 IonicContact ND1-OD2 3.69Å; H490-D517 PolarHBondContact ND1-OD2 2.9Å
491	L	81.2	Confident	85.6	Confident	10 Å²	10	50.3 Å²	50.3	5%	0.052	25%	0.254	C	S	.	.			trans	-128.5	52	-173.3	-65.1	175.6	0	0	0	110.7	I388 A389 Q487 F493 A494 A501 F504	I388-L491 HydrophobicContact CG2-CD1 4.45Å; A389-L491 HydrophobicContact CB-CD1 4.5Å; A389-L491 HydrophobicContact CB-CD2 4.04Å; Q487-L491 HydrophobicContact CG-CB 4.41Å; Q487-L491 CarbonylContact O-C 3.53Å; Q487-L491 WeakPolarHBondContact O-CA 3.23Å; Q487-L491 PolarHBondContact O-N 2.84Å; L491-F493 HydrophobicContact CD2-CE1 3.79Å; L491-F493 HydrophobicContact CD2-CZ 3.83Å; L491-F493 PolarHBondContact O-N 2.83Å; L491-F493 VanDerWaalsContact O-N 3.16Å; L491-A494 HydrophobicContact CB-CB 3.62Å; L491-A494 VanDerWaalsContact O-CB 3.28Å; L491-A494 WeakPolarHBondContact O-CB 3.36Å; L491-A494 PolarHBondContact O-N 2.77Å; L491-A501 HydrophobicContact CD1-CB 3.7Å; L491-F504 HydrophobicContact CD1-CE1 4.37Å; L491-F504 HydrophobicContact CD1-CZ 4.24Å
492	N	79.9	Confident	85.5	Confident	119 Å²	119	52.7 Å²	52.7	64%	0.636	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-31.5	-179	72	-11.5	0	0	0	113.7	Q487 L488 A494	Q487-N492 PolarHBondContact O-N 2.73Å; L488-N492 WeakPolarHBondContact O-CB 3.46Å; N492-A494 VanDerWaalsContact C-N 3.27Å
493	F	77.6	Confident	85.7	Confident	102 Å²	102	51.4 Å²	51.4	45%	0.447	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-12.7	178.6	70.7	-88.9	0	0	0	112.3	L491	L491-F493 HydrophobicContact CD2-CE1 3.79Å; L491-F493 HydrophobicContact CD2-CZ 3.83Å; L491-F493 PolarHBondContact O-N 2.83Å; L491-F493 VanDerWaalsContact O-N 3.16Å
494	A	80.1	Confident	86	Confident	8 Å²	8	50.6 Å²	50.6	7%	0.066	25%	0.253	C	S	.	.	S	Bend	trans	-81.8	154.1	-173	0	0	0	0	0	113.3	I388 S392 L491 N492 K496	I388-A494 HydrophobicContact CG2-CB 3.84Å; S392-A494 VanDerWaalsContact OG-CA 3.29Å; S392-A494 WeakPolarHBondContact OG-CA 3.3Å; S392-A494 VanDerWaalsContact OG-CB 3.3Å; S392-A494 WeakPolarHBondContact OG-CB 3.29Å; L491-A494 HydrophobicContact CB-CB 3.62Å; L491-A494 VanDerWaalsContact O-CB 3.28Å; L491-A494 WeakPolarHBondContact O-CB 3.36Å; L491-A494 PolarHBondContact O-N 2.77Å; N492-A494 VanDerWaalsContact C-N 3.27Å; A494-K496 PolarHBondContact O-N 3.27Å
495	I	79.9	Confident	86.5	Confident	31 Å²	31	44.6 Å²	44.6	16%	0.159	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-65.2	125.3	176.3	-53.2	177.1	0	0	0	108.2	S392 A395 Q487 Q498	S392-I495 PolarHBondContact OG-N 3.29Å; S392-I495 VanDerWaalsContact OG-N 3.11Å; A395-I495 HydrophobicContact CB-CD1 4.29Å; Q487-I495 PolarHBondContact NE2-O 2.89Å; I495-Q498 HydrophobicContact CB-CG 4Å; I495-Q498 HydrophobicContact CG2-CG 3.69Å; I495-Q498 WeakPolarHBondContact O-CG 3.42Å
496	K	81.8	Confident	87	Confident	114 Å²	114	39.9 Å²	39.9	50%	0.496	20%	0.2	S	C	.	.	S	Bend	trans	-80.3	160.5	-176	-61.5	-176.6	-178.1	178.8	0	111.6	A494 Q498	A494-K496 PolarHBondContact O-N 3.27Å; K496-Q498 VanDerWaalsContact C-N 3.33Å; K496-Q498 WeakPolarHBondContact O-CG 3.07Å; K496-Q498 PolarHBondContact O-N 2.83Å; K496-Q498 PolarHBondContact O-NE2 3.02Å
497	N	81.6	Confident	87.4	Confident	128 Å²	128	39.7 Å²	39.7	68%	0.684	20%	0.199	S	C	*	.	S	Bend	trans	59.7	38.2	174.5	-55.7	-27.1	0	0	0	113.9
498	Q	84.9	Confident	87.9	Confident	15 Å²	15	39.1 Å²	39.1	7%	0.07	20%	0.196	C	C	.	.	S	Bend	trans	-107.7	17.1	-177.1	-58.1	-54.8	-45.8	0	0	113.1	I388 I448 I495 K496	I388-Q498 HydrophobicContact CD1-CB 3.74Å; I388-Q498 HydrophobicContact CG1-CB 3.73Å; I448-Q498 HydrophobicContact CD1-CB 3.87Å; I448-Q498 HydrophobicContact CD1-CG 3.67Å; I495-Q498 HydrophobicContact CB-CG 4Å; I495-Q498 HydrophobicContact CG2-CG 3.69Å; I495-Q498 WeakPolarHBondContact O-CG 3.42Å; K496-Q498 VanDerWaalsContact C-N 3.33Å; K496-Q498 WeakPolarHBondContact O-CG 3.07Å; K496-Q498 PolarHBondContact O-N 2.83Å; K496-Q498 PolarHBondContact O-NE2 3.02Å
499	G	90.1	Very high	88.5	Confident	20 Å²	20	35.7 Å²	35.7	21%	0.206	18%	0.178	C	C	.	.			trans	81.3	-167.6	-169.5	0	0	0	0	0	112.6	S384 I388 V482	S384-G499 VanDerWaalsContact OG-CA 3.23Å; S384-G499 WeakPolarHBondContact OG-CA 3.35Å; I388-G499 VanDerWaalsContact CD1-O 3.28Å; I388-G499 WeakPolarHBondContact CD1-O 3.12Å; V482-G499 VanDerWaalsContact CG2-O 3.32Å; V482-G499 WeakPolarHBondContact CG2-O 3.37Å
500	A	94.7	Very high	89.1	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.			trans	-83.8	130.5	-176.6	0	0	0	0	0	112.3	T383 S384 G385 F479 V482 F504	T383-A500 WeakPolarHBondContact CB-O 3.32Å; T383-A500 PolarHBondContact OG1-O 2.64Å; S384-A500 PolarHBondContact OG-N 2.91Å; G385-A500 CarbonylContact C-O 3.48Å; G385-A500 WeakPolarHBondContact CA-O 3.42Å; G385-A500 PolarHBondContact N-O 3.48Å; F479-A500 HydrophobicContact CD1-CB 3.58Å; F479-A500 HydrophobicContact CE1-CB 3.95Å; F479-A500 WeakPolarHBondContact O-CB 3.17Å; V482-A500 HydrophobicContact CG2-CB 3.72Å; A500-F504 HydrophobicContact CB-CB 4.32Å
501	A	93.8	Very high	89.7	Confident	4 Å²	4	30.3 Å²	30.3	3%	0.033	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-74.4	165.1	178.5	0	0	0	0	0	112.3	T383 G385 I388 L491 G503 F504	T383-A501 WeakPolarHBondContact CG2-O 3.08Å; T383-A501 PolarHBondContact OG1-O 3.02Å; G385-A501 WeakPolarHBondContact O-CA 3.36Å; I388-A501 HydrophobicContact CB-CB 4.24Å; I388-A501 HydrophobicContact CD1-CB 4.06Å; L491-A501 HydrophobicContact CD1-CB 3.7Å; A501-G503 PolarHBondContact O-N 3.18Å; A501-F504 HydrophobicContact CB-CD1 3.87Å; A501-F504 HydrophobicContact CB-CD2 4.4Å; A501-F504 HydrophobicContact CB-CE1 3.66Å; A501-F504 HydrophobicContact CB-CE2 4.2Å; A501-F504 HydrophobicContact CB-CG 4.26Å; A501-F504 HydrophobicContact CB-CZ 3.84Å; A501-F504 WeakPolarHBondContact O-CB 3.39Å; A501-F504 PolarHBondContact O-N 3.31Å; A501-F504 VanDerWaalsContact O-N 3.13Å
502	H	94.1	Very high	90.3	Very high	53 Å²	53	31 Å²	31	25%	0.245	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.4	128.2	177.5	-161.6	59.2	0	0	0	112.4	E238 S239 E386 F504 L516	E238-H502 IonicContact OE1-CD2 2.95Å; E238-H502 IonicContact OE1-CE1 3.42Å; E238-H502 PolarHBondContact OE1-CE1 2.95Å; E238-H502 IonicContact OE1-CG 3.7Å; E238-H502 IonicContact OE1-ND1 3.91Å; E238-H502 IonicContact OE1-NE2 2.64Å; E238-H502 PolarHBondContact OE1-NE2 3.18Å; S239-H502 VanDerWaalsContact CB-NE2 3.27Å; S239-H502 WeakPolarHBondContact CB-NE2 3.49Å; S239-H502 PolarHBondContact OG-NE2 3.16Å; E386-H502 WeakPolarHBondContact O-CB 3.44Å; E386-H502 IonicContact OE2-CE1 3.02Å; E386-H502 IonicContact OE2-CG 3.22Å; E386-H502 IonicContact OE2-ND1 2.83Å; E386-H502 PolarHBondContact OE2-ND1 3.13Å; H502-F504 PolarHBondContact O-N 3.34Å; H502-F504 VanDerWaalsContact O-N 3.15Å; H502-L516 WeakPolarHBondContact O-CD1 3.5Å
503	G	94.4	Very high	90.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	14.1	178.1	0	0	0	0	0	116.9	A501 D505 L506 V507	A501-G503 PolarHBondContact O-N 3.18Å; G503-D505 VanDerWaalsContact C-OD1 3.27Å; G503-D505 VanDerWaalsContact CA-OD1 3.3Å; G503-D505 WeakPolarHBondContact CA-OD1 3.31Å; G503-D505 PolarHBondContact O-N 3.36Å; G503-L506 WeakPolarHBondContact O-CB 3.15Å; G503-L506 PolarHBondContact O-N 2.95Å; G503-V507 PolarHBondContact O-N 3.33Å
504	F	95.5	Very high	91.3	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-58.9	-33.6	174.1	-90.2	25.6	0	0	0	112.3	F479 V482 L486 H490 L491 A500 A501 H502 L506 V507 Y508 L516	F479-F504 HydrophobicContact CD1-CB 4.48Å; F479-F504 HydrophobicContact CE1-CB 4.09Å; V482-F504 HydrophobicContact CG1-CD2 4.42Å; V482-F504 HydrophobicContact CG1-CE2 4.05Å; V482-F504 HydrophobicContact CG2-CD2 4.15Å; V482-F504 HydrophobicContact CG2-CE2 4.43Å; L486-F504 HydrophobicContact CD2-CD2 3.8Å; L486-F504 HydrophobicContact CD2-CE2 3.87Å; L486-F504 HydrophobicContact CD2-CG 4.2Å; L486-F504 HydrophobicContact CD2-CZ 4.3Å; L486-F504 HydrophobicContact CG-CE2 4.11Å; L486-F504 HydrophobicContact CG-CZ 4.22Å; H490-F504 AromaticContact CD2-CE1 3.88Å; L491-F504 HydrophobicContact CD1-CE1 4.37Å; L491-F504 HydrophobicContact CD1-CZ 4.24Å; A500-F504 HydrophobicContact CB-CB 4.32Å; A501-F504 HydrophobicContact CB-CD1 3.87Å; A501-F504 HydrophobicContact CB-CD2 4.4Å; A501-F504 HydrophobicContact CB-CE1 3.66Å; A501-F504 HydrophobicContact CB-CE2 4.2Å; A501-F504 HydrophobicContact CB-CG 4.26Å; A501-F504 HydrophobicContact CB-CZ 3.84Å; A501-F504 WeakPolarHBondContact O-CB 3.39Å; A501-F504 PolarHBondContact O-N 3.31Å; A501-F504 VanDerWaalsContact O-N 3.13Å; H502-F504 PolarHBondContact O-N 3.34Å; H502-F504 VanDerWaalsContact O-N 3.15Å; F504-L506 PolarHBondContact O-N 2.92Å; F504-V507 WeakPolarHBondContact O-CB 3.41Å; F504-V507 PolarHBondContact O-N 3.29Å; F504-Y508 WeakPolarHBondContact O-CD2 3.25Å; F504-Y508 PolarHBondContact O-N 3.4Å; F504-Y508 VanDerWaalsContact O-N 3.09Å; F504-L516 HydrophobicContact CD1-CD1 3.9Å; F504-L516 HydrophobicContact CE1-CD1 4.3Å
505	D	97.2	Very high	91.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60	-31.9	173.6	65.8	-31.9	0	0	0	113	R264 Y477 F479 G503 L509 L536	R264-D505 IonicContact CZ-OD2 3.22Å; R264-D505 IonicContact NE-OD2 2.78Å; R264-D505 PolarHBondContact NE-OD2 2.85Å; R264-D505 VanDerWaalsContact NH2-CG 3.31Å; R264-D505 IonicContact NH2-OD2 2.77Å; R264-D505 PolarHBondContact NH2-OD2 3.15Å; Y477-D505 PolarHBondContact OH-OD2 2.83Å; F479-D505 HydrophobicContact CB-CB 3.96Å; F479-D505 HydrophobicContact CD1-CB 3.76Å; F479-D505 HydrophobicContact CD2-CB 3.76Å; F479-D505 HydrophobicContact CE1-CB 4.18Å; F479-D505 HydrophobicContact CE2-CB 4.19Å; F479-D505 HydrophobicContact CG-CB 3.54Å; F479-D505 HydrophobicContact CZ-CB 4.39Å; G503-D505 VanDerWaalsContact C-OD1 3.27Å; G503-D505 VanDerWaalsContact CA-OD1 3.3Å; G503-D505 WeakPolarHBondContact CA-OD1 3.31Å; G503-D505 PolarHBondContact O-N 3.36Å; D505-L509 WeakPolarHBondContact O-CB 3.38Å; D505-L509 PolarHBondContact O-N 3.16Å; D505-L536 HydrophobicContact CB-CD1 4.47Å; D505-L536 WeakPolarHBondContact O-CD1 3.19Å
506	L	97.3	Very high	91.9	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-71	-40.5	170.8	-82.8	61.2	0	0	0	111.8	W153 E238 R264 G503 F504 Y508 L509 F510 V515	W153-L506 HydrophobicContact CH2-CG 4.34Å; W153-L506 HydrophobicContact CZ2-CD1 4.41Å; W153-L506 HydrophobicContact CZ2-CD2 3.88Å; W153-L506 HydrophobicContact CZ2-CG 3.9Å; E238-L506 HydrophobicContact CB-CD1 3.98Å; E238-L506 HydrophobicContact CB-CD2 3.56Å; E238-L506 HydrophobicContact CB-CG 4.37Å; E238-L506 HydrophobicContact CG-CD1 3.59Å; E238-L506 HydrophobicContact CG-CD2 3.6Å; E238-L506 HydrophobicContact CG-CG 4.23Å; R264-L506 HydrophobicContact CB-CD1 4.41Å; G503-L506 WeakPolarHBondContact O-CB 3.15Å; G503-L506 PolarHBondContact O-N 2.95Å; F504-L506 PolarHBondContact O-N 2.92Å; L506-Y508 PolarHBondContact O-N 3.3Å; L506-L509 PolarHBondContact O-N 2.95Å; L506-L509 VanDerWaalsContact O-N 3.13Å; L506-F510 HydrophobicContact CB-CD2 4.45Å; L506-F510 WeakPolarHBondContact O-CD2 3.38Å; L506-F510 PolarHBondContact O-N 3.32Å; L506-V515 HydrophobicContact CB-CB 4.43Å; L506-V515 HydrophobicContact CB-CG2 3.79Å
507	V	96	Very high	91.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.6	-41	178.6	173.1	0	0	0	0	110.6	L486 G503 F504 Q511 S512 M513 V515 L516 L523 W525	L486-V507 HydrophobicContact CD1-CG1 3.78Å; L486-V507 HydrophobicContact CD2-CG1 4.14Å; G503-V507 PolarHBondContact O-N 3.33Å; F504-V507 WeakPolarHBondContact O-CB 3.41Å; F504-V507 PolarHBondContact O-N 3.29Å; V507-Q511 CarbonylContact O-C 3.27Å; V507-Q511 WeakPolarHBondContact O-CA 3.33Å; V507-Q511 PolarHBondContact O-N 2.86Å; V507-S512 PolarHBondContact O-N 2.92Å; V507-S512 VanDerWaalsContact O-N 3.17Å; V507-M513 HydrophobicContact CB-SD 4.42Å; V507-M513 HydrophobicContact CG1-SD 3.73Å; V507-M513 HydrophobicContact CG2-CE 4.24Å; V507-M513 HydrophobicContact CG2-SD 3.76Å; V507-V515 HydrophobicContact CG2-CG2 4.03Å; V507-L516 HydrophobicContact CG2-CB 4.24Å; V507-L516 HydrophobicContact CG2-CD1 3.38Å; V507-L516 HydrophobicContact CG2-CG 3.73Å; V507-L523 HydrophobicContact CG1-CD1 4.02Å; V507-W525 HydrophobicContact CG1-CH2 3.67Å; V507-W525 HydrophobicContact CG1-CZ3 4.34Å; V507-W525 WeakPolarHBondContact O-CH2 3.38Å
508	Y	97	Very high	91.2	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	8%	0.079	C	C	.	.	H	α-helix	trans	-68.6	-48.8	170.9	-68.9	-72.7	0	0	0	112.1	F479 Y481 D483 L486 F504 L506 F510 Q511 W525 D529 I532 T533	F479-Y508 AromaticContact CE1-CD2 3.84Å; F479-Y508 HydrophobicContact CE1-CD2 3.84Å; F479-Y508 AromaticContact CE1-CE2 3.95Å; F479-Y508 HydrophobicContact CE1-CE2 3.95Å; F479-Y508 HydrophobicContact CE2-CD2 4.4Å; F479-Y508 AromaticContact CZ-CD2 3.36Å; F479-Y508 HydrophobicContact CZ-CD2 3.36Å; F479-Y508 AromaticContact CZ-CE2 3.73Å; F479-Y508 HydrophobicContact CZ-CE2 3.73Å; F479-Y508 HydrophobicContact CZ-CG 4.25Å; Y481-Y508 HydrophobicContact CD1-CD1 4.46Å; Y481-Y508 HydrophobicContact CD1-CD2 4.36Å; Y481-Y508 AromaticContact CD1-CE1 3.85Å; Y481-Y508 HydrophobicContact CD1-CE1 3.85Å; Y481-Y508 AromaticContact CD1-CE2 3.72Å; Y481-Y508 HydrophobicContact CD1-CE2 3.72Å; Y481-Y508 AromaticContact CD1-CZ 3.43Å; Y481-Y508 VanDerWaalsContact CD1-CZ 3.43Å; Y481-Y508 HydrophobicContact CE1-CD1 4.29Å; Y481-Y508 AromaticContact CE1-CE1 3.46Å; Y481-Y508 HydrophobicContact CE1-CE1 3.46Å; Y481-Y508 VanDerWaalsContact CE1-CE1 3.46Å; Y481-Y508 HydrophobicContact CE1-CE2 4.15Å; Y481-Y508 AromaticContact CE1-CZ 3.37Å; Y481-Y508 VanDerWaalsContact CE1-OH 3.26Å; Y481-Y508 WeakPolarHBondContact CE1-OH 3.44Å; D483-Y508 WeakPolarHBondContact CB-OH 3.49Å; D483-Y508 PolarHBondContact N-OH 3.45Å; L486-Y508 HydrophobicContact CD2-CE2 3.8Å; F504-Y508 WeakPolarHBondContact O-CD2 3.25Å; F504-Y508 PolarHBondContact O-N 3.4Å; F504-Y508 VanDerWaalsContact O-N 3.09Å; L506-Y508 PolarHBondContact O-N 3.3Å; Y508-F510 VanDerWaalsContact C-N 3.29Å; Y508-F510 PolarHBondContact O-N 3.12Å; Y508-Q511 VanDerWaalsContact O-CG 3.29Å; Y508-Q511 WeakPolarHBondContact O-CG 3.19Å; Y508-Q511 PolarHBondContact O-N 3.29Å; Y508-Q511 VanDerWaalsContact O-N 3.14Å; Y508-W525 HydrophobicContact CD1-CE3 4.27Å; Y508-W525 AromaticContact CD1-CZ3 3.82Å; Y508-W525 HydrophobicContact CD1-CZ3 3.82Å; Y508-W525 HydrophobicContact CE1-CE3 4.45Å; Y508-W525 HydrophobicContact CE1-CZ3 4.04Å; Y508-D529 HydrophobicContact CD1-CB 4.1Å; Y508-D529 HydrophobicContact CE1-CB 3.9Å; Y508-D529 WeakPolarHBondContact CE1-OD1 3.36Å; Y508-I532 HydrophobicContact CD1-CG2 4.4Å; Y508-I532 HydrophobicContact CD2-CG2 4.45Å; Y508-I532 HydrophobicContact CG-CG2 4.05Å; Y508-T533 WeakPolarHBondContact O-CG2 3.37Å; Y508-T533 PolarHBondContact O-OG1 2.96Å; Y508-T533 VanDerWaalsContact O-OG1 3.07Å
509	L	97.5	Very high	90.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.4	-41.7	-178.1	-179.4	63.8	0	0	0	113.2	W153 N175 L176 D505 L506 L536 A537 L540	W153-L509 HydrophobicContact CH2-CD2 3.73Å; W153-L509 HydrophobicContact CZ3-CD2 3.89Å; N175-L509 PolarHBondContact ND2-O 2.92Å; L176-L509 HydrophobicContact CD2-CD1 4.05Å; D505-L509 WeakPolarHBondContact O-CB 3.38Å; D505-L509 PolarHBondContact O-N 3.16Å; L506-L509 PolarHBondContact O-N 2.95Å; L506-L509 VanDerWaalsContact O-N 3.13Å; L509-L536 HydrophobicContact CD1-CB 4.05Å; L509-A537 HydrophobicContact CD1-CB 4.12Å; L509-L540 HydrophobicContact CD2-CD2 3.75Å
510	F	96	Very high	89.9	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	1.5	180	-68.1	-77.7	0	0	0	113.3	W153 F167 S171 L176 F183 L506 Y508 S512 V515	W153-F510 HydrophobicContact CD2-CZ 4.24Å; W153-F510 HydrophobicContact CE3-CE2 4.36Å; W153-F510 AromaticContact CE3-CZ 3.93Å; W153-F510 HydrophobicContact CE3-CZ 3.93Å; W153-F510 AromaticContact CH2-CE2 3.56Å; W153-F510 HydrophobicContact CH2-CE2 3.56Å; W153-F510 AromaticContact CH2-CZ 3.94Å; W153-F510 HydrophobicContact CH2-CZ 3.94Å; W153-F510 AromaticContact CZ2-CE2 3.78Å; W153-F510 HydrophobicContact CZ2-CE2 3.78Å; W153-F510 HydrophobicContact CZ2-CZ 4.29Å; W153-F510 AromaticContact CZ3-CE2 3.87Å; W153-F510 HydrophobicContact CZ3-CE2 3.87Å; W153-F510 AromaticContact CZ3-CZ 3.74Å; W153-F510 HydrophobicContact CZ3-CZ 3.74Å; F167-F510 HydrophobicContact CB-CD1 4.21Å; F167-F510 HydrophobicContact CB-CE1 3.99Å; F167-F510 AromaticContact CD1-CD1 3.96Å; F167-F510 HydrophobicContact CD1-CD1 3.96Å; F167-F510 AromaticContact CD1-CD2 3.97Å; F167-F510 HydrophobicContact CD1-CD2 3.97Å; F167-F510 AromaticContact CD1-CE1 3.54Å; F167-F510 HydrophobicContact CD1-CE1 3.54Å; F167-F510 AromaticContact CD1-CE2 3.54Å; F167-F510 HydrophobicContact CD1-CE2 3.54Å; F167-F510 HydrophobicContact CD1-CG 4.16Å; F167-F510 AromaticContact CD1-CZ 3.31Å; F167-F510 HydrophobicContact CD1-CZ 3.31Å; F167-F510 HydrophobicContact CE1-CD2 4.37Å; F167-F510 HydrophobicContact CE1-CE1 4.46Å; F167-F510 AromaticContact CE1-CE2 3.74Å; F167-F510 HydrophobicContact CE1-CE2 3.74Å; F167-F510 AromaticContact CE1-CZ 3.81Å; F167-F510 HydrophobicContact CE1-CZ 3.81Å; F167-F510 HydrophobicContact CG-CE1 4.08Å; F167-F510 HydrophobicContact CG-CZ 4.18Å; S171-F510 WeakPolarHBondContact CB-O 3.39Å; S171-F510 PolarHBondContact OG-O 2.78Å; L176-F510 HydrophobicContact CD1-CE1 3.91Å; L176-F510 HydrophobicContact CD1-CZ 4.11Å; F183-F510 HydrophobicContact CE2-CE1 4.08Å; F183-F510 AromaticContact CE2-CZ 3.95Å; F183-F510 HydrophobicContact CE2-CZ 3.95Å; F183-F510 HydrophobicContact CZ-CE1 4.02Å; F183-F510 HydrophobicContact CZ-CZ 4.03Å; L506-F510 HydrophobicContact CB-CD2 4.45Å; L506-F510 WeakPolarHBondContact O-CD2 3.38Å; L506-F510 PolarHBondContact O-N 3.32Å; Y508-F510 VanDerWaalsContact C-N 3.29Å; Y508-F510 PolarHBondContact O-N 3.12Å; F510-S512 PolarHBondContact O-N 3.14Å; F510-S512 VanDerWaalsContact O-N 3.09Å; F510-V515 HydrophobicContact CB-CG1 3.88Å; F510-V515 HydrophobicContact CD2-CG1 3.83Å; F510-V515 HydrophobicContact CG-CG1 3.95Å
511	Q	94.3	Very high	89.3	Confident	26 Å²	26	25.2 Å²	25.2	12%	0.121	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.2	45.5	-177.7	-67.1	-177.2	-72.5	0	0	112.8	R174 N175 V507 Y508 W525 T533	R174-Q511 VanDerWaalsContact CZ-OE1 3.27Å; R174-Q511 VanDerWaalsContact NE-OE1 3.09Å; N175-Q511 PolarHBondContact ND2-OE1 2.85Å; V507-Q511 CarbonylContact O-C 3.27Å; V507-Q511 WeakPolarHBondContact O-CA 3.33Å; V507-Q511 PolarHBondContact O-N 2.86Å; Y508-Q511 VanDerWaalsContact O-CG 3.29Å; Y508-Q511 WeakPolarHBondContact O-CG 3.19Å; Y508-Q511 PolarHBondContact O-N 3.29Å; Y508-Q511 VanDerWaalsContact O-N 3.14Å; Q511-W525 HydrophobicContact CB-CD2 4.09Å; Q511-W525 HydrophobicContact CB-CH2 4.38Å; Q511-W525 HydrophobicContact CB-CZ2 3.85Å; Q511-W525 HydrophobicContact CG-CD2 4.1Å; Q511-W525 HydrophobicContact CG-CE3 4.39Å; Q511-W525 HydrophobicContact CG-CG 4.48Å; Q511-W525 WeakPolarHBondContact O-CZ2 3.35Å; Q511-W525 PolarHBondContact O-NE1 3.44Å; Q511-T533 HydrophobicContact CG-CG2 3.87Å
512	S	92.6	Very high	88.8	Confident	26 Å²	26	32.6 Å²	32.6	18%	0.182	17%	0.169	C	C	.	.	S	Bend	trans	-158.1	138.8	-175.8	-179.6	0	0	0	0	111.1	V507 F510 S514 V515	V507-S512 PolarHBondContact O-N 2.92Å; V507-S512 VanDerWaalsContact O-N 3.17Å; F510-S512 PolarHBondContact O-N 3.14Å; F510-S512 VanDerWaalsContact O-N 3.09Å; S512-S514 PolarHBondContact O-N 3.41Å; S512-S514 WeakPolarHBondContact OG-CB 3.39Å; S512-S514 PolarHBondContact OG-N 2.78Å; S512-S514 VanDerWaalsContact OG-N 3.08Å; S512-S514 PolarHBondContact OG-OG 3.36Å; S512-V515 WeakPolarHBondContact O-CG2 3.35Å
513	M	90.4	Very high	88.6	Confident	3 Å²	3	31.6 Å²	31.6	2%	0.015	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-70.4	-19.5	169.6	-82.5	-49.7	-53.4	0	0	113	L486 H490 V507 V515 L516 D517 I521 L523	L486-M513 HydrophobicContact CD1-SD 3.59Å; L486-M513 VanDerWaalsContact CD1-SD 3.59Å; H490-M513 HydrophobicContact CB-CE 3.86Å; H490-M513 HydrophobicContact CB-SD 4.28Å; H490-M513 WeakPolarHBondContact ND1-CE 3.47Å; V507-M513 HydrophobicContact CB-SD 4.42Å; V507-M513 HydrophobicContact CG1-SD 3.73Å; V507-M513 HydrophobicContact CG2-CE 4.24Å; V507-M513 HydrophobicContact CG2-SD 3.76Å; M513-V515 PolarHBondContact O-N 3.04Å; M513-L516 HydrophobicContact CE-CB 3.83Å; M513-L516 HydrophobicContact CE-CD1 4.31Å; M513-L516 PolarHBondContact O-N 3.47Å; M513-D517 CarbonylContact C-O 3.58Å; M513-D517 HydrophobicContact CB-CB 4.4Å; M513-D517 HydrophobicContact CE-CB 3.54Å; M513-D517 PolarHBondContact O-N 3.34Å; M513-D517 VanDerWaalsContact O-O 3.09Å; M513-I521 HydrophobicContact CB-CB 4.04Å; M513-I521 HydrophobicContact CG-CB 3.87Å; M513-I521 HydrophobicContact CG-CD1 4.28Å; M513-I521 HydrophobicContact CG-CG2 3.96Å; M513-L523 HydrophobicContact CG-CD1 3.6Å; M513-L523 HydrophobicContact CG-CG 4.2Å; M513-L523 HydrophobicContact SD-CD1 4.05Å
514	S	88	Confident	88.3	Confident	32 Å²	32	42.8 Å²	42.8	22%	0.224	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-54.4	-25.1	-174.9	63.6	0	0	0	0	114.3	L166 S512 L516 D517	L166-S514 WeakPolarHBondContact CD2-O 3.46Å; L166-S514 PolarHBondContact O-OG 3.4Å; S512-S514 PolarHBondContact O-N 3.41Å; S512-S514 WeakPolarHBondContact OG-CB 3.39Å; S512-S514 PolarHBondContact OG-N 2.78Å; S512-S514 VanDerWaalsContact OG-N 3.08Å; S512-S514 PolarHBondContact OG-OG 3.36Å; S514-L516 VanDerWaalsContact C-N 3.33Å; S514-D517 WeakPolarHBondContact CA-O 3.4Å
515	V	89.8	Confident	88.2	Confident	11 Å²	11	45.3 Å²	45.3	7%	0.067	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-74.8	-19.1	178.9	-60.2	0	0	0	0	114.1	L166 F167 L506 V507 F510 S512 M513	L166-V515 WeakPolarHBondContact O-CG1 3.43Å; F167-V515 HydrophobicContact CD1-CG1 3.89Å; F167-V515 HydrophobicContact CE1-CG1 4.16Å; L506-V515 HydrophobicContact CB-CB 4.43Å; L506-V515 HydrophobicContact CB-CG2 3.79Å; V507-V515 HydrophobicContact CG2-CG2 4.03Å; F510-V515 HydrophobicContact CB-CG1 3.88Å; F510-V515 HydrophobicContact CD2-CG1 3.83Å; F510-V515 HydrophobicContact CG-CG1 3.95Å; S512-V515 WeakPolarHBondContact O-CG2 3.35Å; M513-V515 PolarHBondContact O-N 3.04Å
516	L	84.1	Confident	88	Confident	48 Å²	48	48.3 Å²	48.3	25%	0.251	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-44.7	177.1	-79.3	-172.4	0	0	0	112.5	H502 F504 V507 M513 S514	H502-L516 WeakPolarHBondContact O-CD1 3.5Å; F504-L516 HydrophobicContact CD1-CD1 3.9Å; F504-L516 HydrophobicContact CE1-CD1 4.3Å; V507-L516 HydrophobicContact CG2-CB 4.24Å; V507-L516 HydrophobicContact CG2-CD1 3.38Å; V507-L516 HydrophobicContact CG2-CG 3.73Å; M513-L516 HydrophobicContact CE-CB 3.83Å; M513-L516 HydrophobicContact CE-CD1 4.31Å; M513-L516 PolarHBondContact O-N 3.47Å; S514-L516 VanDerWaalsContact C-N 3.33Å
517	D	78.2	Confident	87.9	Confident	6 Å²	6	53 Å²	53	3%	0.032	26%	0.263	C	S	.	.			trans	-123.3	123.9	-169.6	-164.9	-38.5	0	0	0	109.7	H490 M513 S514 R519 I521	H490-D517 IonicContact CE1-OD2 3.63Å; H490-D517 PolarHBondContact CE1-OD2 2.94Å; H490-D517 VanDerWaalsContact CE1-OD2 3.27Å; H490-D517 IonicContact ND1-OD2 3.69Å; H490-D517 PolarHBondContact ND1-OD2 2.9Å; M513-D517 CarbonylContact C-O 3.58Å; M513-D517 HydrophobicContact CB-CB 4.4Å; M513-D517 HydrophobicContact CE-CB 3.54Å; M513-D517 PolarHBondContact O-N 3.34Å; M513-D517 VanDerWaalsContact O-O 3.09Å; S514-D517 WeakPolarHBondContact CA-O 3.4Å; D517-R519 PolarHBondContact O-N 3.14Å; D517-R519 WeakPolarHBondContact OD1-CB 3.11Å; D517-R519 WeakPolarHBondContact OD1-CG 3.45Å; D517-R519 IonicContact OD1-CZ 3.57Å; D517-R519 PolarHBondContact OD1-N 2.81Å; D517-R519 IonicContact OD1-NE 3.3Å; D517-R519 PolarHBondContact OD1-NE 2.94Å; D517-R519 IonicContact OD2-CZ 3.86Å; D517-R519 VanDerWaalsContact OD2-CZ 3.22Å; D517-R519 IonicContact OD2-NE 2.75Å; D517-R519 PolarHBondContact OD2-NE 2.87Å; D517-R519 IonicContact OD2-NH2 2.89Å; D517-R519 PolarHBondContact OD2-NH2 3.03Å; D517-I521 HydrophobicContact CB-CD1 4.28Å; D517-I521 WeakPolarHBondContact OD2-CD1 3.21Å
518	P	68.9	Low	87.9	Confident	29 Å²	29	55.1 Å²	55.1	19%	0.188	27%	0.273	C	S	.	.			trans	-70.8	-17.4	-179.4	30.4	-37.7	0	0	0	114.3	I120 L122	I120-P518 HydrophobicContact CB-CG 3.8Å; I120-P518 HydrophobicContact CD1-CG 3.56Å; I120-P518 HydrophobicContact CG1-CG 3.59Å; I120-P518 VanDerWaalsContact O-CG 3.25Å; I120-P518 WeakPolarHBondContact O-CG 3.23Å; L122-P518 HydrophobicContact CD2-CB 4.48Å; L122-P518 HydrophobicContact CD2-CG 4.42Å
519	R	73.7	Confident	87.8	Confident	111 Å²	111	55.2 Å²	55.2	42%	0.419	27%	0.273	S	S	.	.	S	Bend	trans	-68.1	145.4	-179.2	-61.7	174.9	-67.3	175.7	1.1	110.4	D517 I521	D517-R519 PolarHBondContact O-N 3.14Å; D517-R519 WeakPolarHBondContact OD1-CB 3.11Å; D517-R519 WeakPolarHBondContact OD1-CG 3.45Å; D517-R519 IonicContact OD1-CZ 3.57Å; D517-R519 PolarHBondContact OD1-N 2.81Å; D517-R519 IonicContact OD1-NE 3.3Å; D517-R519 PolarHBondContact OD1-NE 2.94Å; D517-R519 IonicContact OD2-CZ 3.86Å; D517-R519 VanDerWaalsContact OD2-CZ 3.22Å; D517-R519 IonicContact OD2-NE 2.75Å; D517-R519 PolarHBondContact OD2-NE 2.87Å; D517-R519 IonicContact OD2-NH2 2.89Å; D517-R519 PolarHBondContact OD2-NH2 3.03Å; R519-I521 VanDerWaalsContact C-N 3.32Å; R519-I521 HydrophobicContact CB-CD1 4.36Å; R519-I521 HydrophobicContact CB-CG1 4.09Å; R519-I521 PolarHBondContact O-N 3.26Å
520	T	74.9	Confident	87.7	Confident	142 Å²	142	59.7 Å²	59.7	87%	0.871	29%	0.294	S	S	*	.			trans	-72.1	87.6	173.8	-51.5	0	0	0	0	109.7
521	I	82.3	Confident	87.7	Confident	33 Å²	33	64.3 Å²	64.3	17%	0.169	32%	0.319	C	S	.	.			trans	-103.9	106.5	177	-59.1	174.1	0	0	0	108.5	K489 M513 D517 R519 L523	K489-I521 HydrophobicContact CB-CG2 3.87Å; K489-I521 HydrophobicContact CD-CG2 4.03Å; M513-I521 HydrophobicContact CB-CB 4.04Å; M513-I521 HydrophobicContact CG-CB 3.87Å; M513-I521 HydrophobicContact CG-CD1 4.28Å; M513-I521 HydrophobicContact CG-CG2 3.96Å; D517-I521 HydrophobicContact CB-CD1 4.28Å; D517-I521 WeakPolarHBondContact OD2-CD1 3.21Å; R519-I521 VanDerWaalsContact C-N 3.32Å; R519-I521 HydrophobicContact CB-CD1 4.36Å; R519-I521 HydrophobicContact CB-CG1 4.09Å; R519-I521 PolarHBondContact O-N 3.26Å; I521-L523 HydrophobicContact CG2-CD2 4.28Å; I521-L523 HydrophobicContact CG2-CG 4.42Å
522	E	83.6	Confident	87.8	Confident	159 Å²	159	63.2 Å²	63.2	74%	0.743	31%	0.314	S	S	*	.			trans	-72.5	129.8	173.8	-67.6	-172.4	172.6	0	0	111	K489	K489-E522 WeakPolarHBondContact CD-O 3.27Å; K489-E522 PolarHBondContact NZ-O 3.47Å
523	L	88.2	Confident	87.9	Confident	31 Å²	31	62.1 Å²	62.1	16%	0.162	31%	0.306	C	S	.	.			trans	-119.9	145.9	176.9	-67	174.3	0	0	0	110.4	L486 K489 V507 M513 I521 W525	L486-L523 HydrophobicContact CD1-CD1 3.54Å; L486-L523 HydrophobicContact CD1-CD2 3.96Å; L486-L523 HydrophobicContact CD1-CG 4.43Å; K489-L523 HydrophobicContact CB-CD2 4.47Å; K489-L523 HydrophobicContact CD-CD2 3.96Å; V507-L523 HydrophobicContact CG1-CD1 4.02Å; M513-L523 HydrophobicContact CG-CD1 3.6Å; M513-L523 HydrophobicContact CG-CG 4.2Å; M513-L523 HydrophobicContact SD-CD1 4.05Å; I521-L523 HydrophobicContact CG2-CD2 4.28Å; I521-L523 HydrophobicContact CG2-CG 4.42Å; L523-W525 HydrophobicContact CB-CH2 4.25Å; L523-W525 HydrophobicContact CB-CZ2 3.69Å; L523-W525 HydrophobicContact CD1-CH2 3.49Å; L523-W525 VanDerWaalsContact CD1-CH2 3.49Å; L523-W525 HydrophobicContact CD1-CZ2 3.59Å; L523-W525 HydrophobicContact CD1-CZ3 4.4Å; L523-W525 HydrophobicContact CG-CZ2 4.31Å
524	R	89.4	Confident	88.1	Confident	236 Å²	236	65 Å²	65	89%	0.891	32%	0.324	S	S	*	.			trans	-105.8	129.1	169.5	-68	-174.9	179.7	-178.1	0.1	107.8
525	W	92.4	Very high	88.5	Confident	54 Å²	54	64.9 Å²	64.9	21%	0.205	32%	0.319	C	S	.	.			trans	-99.8	107.1	-176.3	-52.9	100.1	0	0	0	109.8	V507 Y508 Q511 L523 D529 Q530	V507-W525 HydrophobicContact CG1-CH2 3.67Å; V507-W525 HydrophobicContact CG1-CZ3 4.34Å; V507-W525 WeakPolarHBondContact O-CH2 3.38Å; Y508-W525 HydrophobicContact CD1-CE3 4.27Å; Y508-W525 AromaticContact CD1-CZ3 3.82Å; Y508-W525 HydrophobicContact CD1-CZ3 3.82Å; Y508-W525 HydrophobicContact CE1-CE3 4.45Å; Y508-W525 HydrophobicContact CE1-CZ3 4.04Å; Q511-W525 HydrophobicContact CB-CD2 4.09Å; Q511-W525 HydrophobicContact CB-CH2 4.38Å; Q511-W525 HydrophobicContact CB-CZ2 3.85Å; Q511-W525 HydrophobicContact CG-CD2 4.1Å; Q511-W525 HydrophobicContact CG-CE3 4.39Å; Q511-W525 HydrophobicContact CG-CG 4.48Å; Q511-W525 WeakPolarHBondContact O-CZ2 3.35Å; Q511-W525 PolarHBondContact O-NE1 3.44Å; L523-W525 HydrophobicContact CB-CH2 4.25Å; L523-W525 HydrophobicContact CB-CZ2 3.69Å; L523-W525 HydrophobicContact CD1-CH2 3.49Å; L523-W525 VanDerWaalsContact CD1-CH2 3.49Å; L523-W525 HydrophobicContact CD1-CZ2 3.59Å; L523-W525 HydrophobicContact CD1-CZ3 4.4Å; L523-W525 HydrophobicContact CG-CZ2 4.31Å; W525-D529 HydrophobicContact CB-CB 4.33Å; W525-D529 HydrophobicContact CE3-CB 3.97Å; W525-Q530 HydrophobicContact CB-CG 4.4Å; W525-Q530 PolarHBondContact O-NE2 3.37Å; W525-Q530 VanDerWaalsContact O-NE2 3.14Å
526	N	94.4	Very high	88.9	Confident	62 Å²	62	64.5 Å²	64.5	33%	0.332	32%	0.317	S	S	.	.			trans	-74	174.9	177.1	71.5	48.5	0	0	0	111.2	D483 M528 D529 Q530	D483-N526 PolarHBondContact OD2-ND2 3.13Å; N526-M528 VanDerWaalsContact C-N 3.28Å; N526-M528 PolarHBondContact O-N 3.45Å; N526-M528 WeakPolarHBondContact OD1-CA 3.44Å; N526-M528 VanDerWaalsContact OD1-CB 3.27Å; N526-M528 WeakPolarHBondContact OD1-CB 3.35Å; N526-M528 PolarHBondContact OD1-N 2.82Å; N526-D529 VanDerWaalsContact CG-CG 3.49Å; N526-D529 PolarHBondContact N-OD2 3.08Å; N526-D529 PolarHBondContact ND2-OD2 3.33Å; N526-D529 VanDerWaalsContact ND2-OD2 3.14Å; N526-D529 WeakPolarHBondContact O-CB 3.48Å; N526-D529 PolarHBondContact O-N 3.29Å; N526-D529 PolarHBondContact OD1-N 2.86Å; N526-D529 PolarHBondContact OD1-OD2 3.26Å; N526-Q530 WeakPolarHBondContact O-CG 3.23Å; N526-Q530 PolarHBondContact O-N 3.45Å
527	T	95.4	Very high	89.4	Confident	104 Å²	104	62.3 Å²	62.3	64%	0.638	31%	0.305	S	S	*	.	H	α-helix	trans	-58.6	-37.9	-178.7	-50.3	0	0	0	0	113.1	Q530 N531	T527-Q530 PolarHBondContact O-N 3.08Å; T527-N531 PolarHBondContact O-N 2.78Å; T527-N531 VanDerWaalsContact O-N 3.07Å
528	M	95.3	Very high	90.2	Very high	44 Å²	44	62.8 Å²	62.8	22%	0.217	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-42.3	177.5	-172.9	68.9	-136.2	0	0	111	Y481 N526 Q530 N531 I532 R579	Y481-M528 HydrophobicContact CD2-CG 4.49Å; Y481-M528 HydrophobicContact CE2-CG 3.54Å; Y481-M528 WeakPolarHBondContact OH-CG 3.26Å; N526-M528 VanDerWaalsContact C-N 3.28Å; N526-M528 PolarHBondContact O-N 3.45Å; N526-M528 WeakPolarHBondContact OD1-CA 3.44Å; N526-M528 VanDerWaalsContact OD1-CB 3.27Å; N526-M528 WeakPolarHBondContact OD1-CB 3.35Å; N526-M528 PolarHBondContact OD1-N 2.82Å; M528-Q530 VanDerWaalsContact C-N 3.29Å; M528-Q530 PolarHBondContact O-N 3.24Å; M528-N531 WeakPolarHBondContact O-CB 3.35Å; M528-N531 PolarHBondContact O-N 3.41Å; M528-N531 VanDerWaalsContact O-N 3.15Å; M528-I532 HydrophobicContact CE-CD1 3.68Å; M528-I532 HydrophobicContact CE-CG1 3.73Å; M528-I532 WeakPolarHBondContact O-CG1 3.32Å; M528-I532 PolarHBondContact O-N 3.15Å; M528-R579 WeakPolarHBondContact CE-O 3.37Å
529	D	95.6	Very high	91.5	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.016	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-39.4	176.7	-52.9	-33.7	0	0	0	111.9	Y481 Y508 W525 N526 I532 T533	Y481-D529 WeakPolarHBondContact CE1-OD1 3.35Å; Y481-D529 PolarHBondContact OH-OD1 2.87Å; Y508-D529 HydrophobicContact CD1-CB 4.1Å; Y508-D529 HydrophobicContact CE1-CB 3.9Å; Y508-D529 WeakPolarHBondContact CE1-OD1 3.36Å; W525-D529 HydrophobicContact CB-CB 4.33Å; W525-D529 HydrophobicContact CE3-CB 3.97Å; N526-D529 VanDerWaalsContact CG-CG 3.49Å; N526-D529 PolarHBondContact N-OD2 3.08Å; N526-D529 PolarHBondContact ND2-OD2 3.33Å; N526-D529 VanDerWaalsContact ND2-OD2 3.14Å; N526-D529 WeakPolarHBondContact O-CB 3.48Å; N526-D529 PolarHBondContact O-N 3.29Å; N526-D529 PolarHBondContact OD1-N 2.86Å; N526-D529 PolarHBondContact OD1-OD2 3.26Å; D529-I532 PolarHBondContact O-N 3.45Å; D529-T533 WeakPolarHBondContact O-CB 3.41Å; D529-T533 PolarHBondContact O-N 2.73Å; D529-T533 PolarHBondContact O-OG1 3.11Å
530	Q	94.6	Very high	92.7	Very high	94 Å²	94	56.4 Å²	56.4	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-66.8	-37.2	176.3	-67.3	176.6	28.2	0	0	112	W525 N526 T527 M528 T533 T534	W525-Q530 HydrophobicContact CB-CG 4.4Å; W525-Q530 PolarHBondContact O-NE2 3.37Å; W525-Q530 VanDerWaalsContact O-NE2 3.14Å; N526-Q530 WeakPolarHBondContact O-CG 3.23Å; N526-Q530 PolarHBondContact O-N 3.45Å; T527-Q530 PolarHBondContact O-N 3.08Å; M528-Q530 VanDerWaalsContact C-N 3.29Å; M528-Q530 PolarHBondContact O-N 3.24Å; Q530-T533 PolarHBondContact O-N 3.13Å; Q530-T534 WeakPolarHBondContact O-CB 3.22Å; Q530-T534 PolarHBondContact O-N 3.31Å; Q530-T534 PolarHBondContact O-OG1 3.14Å
531	N	95.1	Very high	93.7	Very high	96 Å²	96	49.6 Å²	49.6	51%	0.513	24%	0.24	S	C	.	.	H	α-helix	trans	-64.3	-44.1	173.9	-72.4	-15.1	0	0	0	111.5	T527 M528 T534 Y535	T527-N531 PolarHBondContact O-N 2.78Å; T527-N531 VanDerWaalsContact O-N 3.07Å; M528-N531 WeakPolarHBondContact O-CB 3.35Å; M528-N531 PolarHBondContact O-N 3.41Å; M528-N531 VanDerWaalsContact O-N 3.15Å; N531-T534 PolarHBondContact O-N 2.95Å; N531-Y535 WeakPolarHBondContact O-CB 3.38Å; N531-Y535 PolarHBondContact O-N 3.07Å
532	I	96.3	Very high	94.3	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-47.1	175.2	-66.3	-67.3	0	0	0	110.9	F479 Y481 Y508 M528 D529 T534 Y535 L536 I577 G578	F479-I532 HydrophobicContact CE2-CG2 3.62Å; F479-I532 HydrophobicContact CZ-CG2 3.92Å; Y481-I532 HydrophobicContact CD1-CB 4.3Å; Y481-I532 HydrophobicContact CD1-CD1 4.31Å; Y481-I532 HydrophobicContact CD1-CG1 3.66Å; Y481-I532 HydrophobicContact CD1-CG2 4.2Å; Y481-I532 HydrophobicContact CD2-CD1 4.43Å; Y481-I532 HydrophobicContact CD2-CG1 4.31Å; Y481-I532 HydrophobicContact CE1-CG1 3.95Å; Y481-I532 HydrophobicContact CG-CD1 4.01Å; Y481-I532 HydrophobicContact CG-CG1 3.84Å; Y508-I532 HydrophobicContact CD1-CG2 4.4Å; Y508-I532 HydrophobicContact CD2-CG2 4.45Å; Y508-I532 HydrophobicContact CG-CG2 4.05Å; M528-I532 HydrophobicContact CE-CD1 3.68Å; M528-I532 HydrophobicContact CE-CG1 3.73Å; M528-I532 WeakPolarHBondContact O-CG1 3.32Å; M528-I532 PolarHBondContact O-N 3.15Å; D529-I532 PolarHBondContact O-N 3.45Å; I532-T534 VanDerWaalsContact C-N 3.32Å; I532-T534 PolarHBondContact O-N 3.12Å; I532-Y535 PolarHBondContact O-N 3.31Å; I532-L536 HydrophobicContact CG2-CD1 3.98Å; I532-L536 HydrophobicContact CG2-CG 4.38Å; I532-L536 WeakPolarHBondContact O-CG 3.39Å; I532-L536 PolarHBondContact O-N 2.97Å; I532-I577 HydrophobicContact CD1-CG2 4.35Å; I532-G578 VanDerWaalsContact CD1-O 3.27Å; I532-G578 WeakPolarHBondContact CD1-O 3.46Å
533	T	96	Very high	95	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-54.4	-49.7	176	-59.1	0	0	0	0	110.8	N175 Y508 Q511 D529 Q530 Y535 L536 A537	N175-T533 VanDerWaalsContact ND2-CG2 3.28Å; N175-T533 WeakPolarHBondContact ND2-CG2 3.48Å; Y508-T533 WeakPolarHBondContact O-CG2 3.37Å; Y508-T533 PolarHBondContact O-OG1 2.96Å; Y508-T533 VanDerWaalsContact O-OG1 3.07Å; Q511-T533 HydrophobicContact CG-CG2 3.87Å; D529-T533 WeakPolarHBondContact O-CB 3.41Å; D529-T533 PolarHBondContact O-N 2.73Å; D529-T533 PolarHBondContact O-OG1 3.11Å; Q530-T533 PolarHBondContact O-N 3.13Å; T533-Y535 VanDerWaalsContact C-N 3.35Å; T533-Y535 PolarHBondContact O-N 2.91Å; T533-L536 PolarHBondContact O-N 2.74Å; T533-A537 VanDerWaalsContact O-CB 3.23Å; T533-A537 WeakPolarHBondContact O-CB 3.19Å; T533-A537 PolarHBondContact O-N 3.28Å
534	T	95	Very high	95.4	Very high	65 Å²	65	39.9 Å²	39.9	40%	0.399	19%	0.193	S	C	.	.	H	α-helix	trans	-61.3	-43.6	179.4	-59.1	0	0	0	0	111.3	Q530 N531 I532 A537 V538	Q530-T534 WeakPolarHBondContact O-CB 3.22Å; Q530-T534 PolarHBondContact O-N 3.31Å; Q530-T534 PolarHBondContact O-OG1 3.14Å; N531-T534 PolarHBondContact O-N 2.95Å; I532-T534 VanDerWaalsContact C-N 3.32Å; I532-T534 PolarHBondContact O-N 3.12Å; T534-A537 PolarHBondContact O-N 2.76Å; T534-V538 HydrophobicContact CG2-CG2 4.19Å; T534-V538 WeakPolarHBondContact O-CB 3.35Å; T534-V538 VanDerWaalsContact O-CG2 3.23Å; T534-V538 WeakPolarHBondContact O-CG2 3.38Å; T534-V538 PolarHBondContact O-N 3.21Å
535	Y	95.5	Very high	95.6	Very high	28 Å²	28	31.5 Å²	31.5	11%	0.11	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-47.8	178.7	-173.3	-91.4	0	0	0	112.1	N531 I532 T533 T539 I560 W564 M575 I577 N581	N531-Y535 WeakPolarHBondContact O-CB 3.38Å; N531-Y535 PolarHBondContact O-N 3.07Å; I532-Y535 PolarHBondContact O-N 3.31Å; T533-Y535 VanDerWaalsContact C-N 3.35Å; T533-Y535 PolarHBondContact O-N 2.91Å; Y535-T539 HydrophobicContact CD1-CG2 4.26Å; Y535-T539 HydrophobicContact CE1-CG2 3.89Å; Y535-T539 HydrophobicContact CE2-CG2 4.21Å; Y535-T539 WeakPolarHBondContact O-CB 3.49Å; Y535-T539 WeakPolarHBondContact O-CG2 3.23Å; Y535-T539 PolarHBondContact O-N 2.83Å; Y535-T539 PolarHBondContact O-OG1 3.31Å; Y535-I560 HydrophobicContact CE2-CD1 4.4Å; Y535-I560 HydrophobicContact CE2-CG2 3.94Å; Y535-W564 HydrophobicContact CE1-CZ3 4.38Å; Y535-M575 VanDerWaalsContact OH-CE 3.26Å; Y535-M575 WeakPolarHBondContact OH-CE 3.4Å; Y535-I577 HydrophobicContact CD1-CD1 4.21Å; Y535-I577 HydrophobicContact CD1-CG1 4.41Å; Y535-I577 HydrophobicContact CD1-CG2 4.03Å; Y535-I577 HydrophobicContact CE1-CD1 3.87Å; Y535-I577 HydrophobicContact CE1-CG1 3.93Å; Y535-I577 HydrophobicContact CE1-CG2 4.33Å; Y535-N581 WeakPolarHBondContact CD2-ND2 3.21Å; Y535-N581 WeakPolarHBondContact CE2-ND2 3.29Å; Y535-N581 VanDerWaalsContact CZ-ND2 3.28Å
536	L	97.3	Very high	95.7	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-61.9	-45.1	177.7	-69.3	175.2	0	0	0	111.8	F479 D505 L509 I532 T533 T539 L540 I577	F479-L536 HydrophobicContact CD2-CD1 4.46Å; F479-L536 HydrophobicContact CD2-CD2 4.33Å; F479-L536 HydrophobicContact CE2-CD1 3.95Å; D505-L536 HydrophobicContact CB-CD1 4.47Å; D505-L536 WeakPolarHBondContact O-CD1 3.19Å; L509-L536 HydrophobicContact CD1-CB 4.05Å; I532-L536 HydrophobicContact CG2-CD1 3.98Å; I532-L536 HydrophobicContact CG2-CG 4.38Å; I532-L536 WeakPolarHBondContact O-CG 3.39Å; I532-L536 PolarHBondContact O-N 2.97Å; T533-L536 PolarHBondContact O-N 2.74Å; L536-T539 PolarHBondContact O-OG1 2.98Å; L536-L540 WeakPolarHBondContact O-CB 3.39Å; L536-L540 PolarHBondContact O-N 3.37Å; L536-I577 HydrophobicContact CD2-CD1 3.75Å; L536-I577 HydrophobicContact CD2-CG2 4.36Å
537	A	96.5	Very high	95.7	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-48.9	178.6	0	0	0	0	0	112.7	N175 L509 T533 T534 T541	N175-A537 HydrophobicContact CB-CB 4.2Å; N175-A537 VanDerWaalsContact O-CB 3.28Å; N175-A537 WeakPolarHBondContact O-CB 3.48Å; L509-A537 HydrophobicContact CD1-CB 4.12Å; T533-A537 VanDerWaalsContact O-CB 3.23Å; T533-A537 WeakPolarHBondContact O-CB 3.19Å; T533-A537 PolarHBondContact O-N 3.28Å; T534-A537 PolarHBondContact O-N 2.76Å; A537-T541 WeakPolarHBondContact O-CB 3.37Å; A537-T541 VanDerWaalsContact O-CG2 3.27Å; A537-T541 WeakPolarHBondContact O-CG2 3.44Å; A537-T541 PolarHBondContact O-N 2.96Å; A537-T541 PolarHBondContact O-OG1 3.43Å
538	V	95.1	Very high	95.7	Very high	15 Å²	15	25.3 Å²	25.3	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-47.4	-178.5	171.4	0	0	0	0	110.8	T534 L540 T541 N542 I560	T534-V538 HydrophobicContact CG2-CG2 4.19Å; T534-V538 WeakPolarHBondContact O-CB 3.35Å; T534-V538 VanDerWaalsContact O-CG2 3.23Å; T534-V538 WeakPolarHBondContact O-CG2 3.38Å; T534-V538 PolarHBondContact O-N 3.21Å; V538-L540 PolarHBondContact O-N 3.34Å; V538-T541 PolarHBondContact O-N 2.93Å; V538-T541 PolarHBondContact O-OG1 3.32Å; V538-N542 WeakPolarHBondContact O-CB 3.22Å; V538-N542 PolarHBondContact O-N 2.74Å; V538-N542 PolarHBondContact O-ND2 3.09Å; V538-I560 HydrophobicContact CG1-CD1 4Å
539	T	96.2	Very high	95.7	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.025	12%	0.123	C	C	.	.	H	α-helix	trans	-65.7	-39.9	-178.9	52.5	0	0	0	0	112.3	Y535 L536 F543 P549 I560 W564	Y535-T539 HydrophobicContact CD1-CG2 4.26Å; Y535-T539 HydrophobicContact CE1-CG2 3.89Å; Y535-T539 HydrophobicContact CE2-CG2 4.21Å; Y535-T539 WeakPolarHBondContact O-CB 3.49Å; Y535-T539 WeakPolarHBondContact O-CG2 3.23Å; Y535-T539 PolarHBondContact O-N 2.83Å; Y535-T539 PolarHBondContact O-OG1 3.31Å; L536-T539 PolarHBondContact O-OG1 2.98Å; T539-F543 PolarHBondContact O-N 3.07Å; T539-F543 VanDerWaalsContact O-N 3.07Å; T539-P549 HydrophobicContact CG2-CB 4.37Å; T539-P549 WeakPolarHBondContact O-CA 3.28Å; T539-I560 HydrophobicContact CG2-CD1 3.71Å; T539-I560 HydrophobicContact CG2-CG1 4.17Å; T539-I560 HydrophobicContact CG2-CG2 4.3Å; T539-W564 HydrophobicContact CG2-CE3 4.05Å; T539-W564 HydrophobicContact CG2-CZ3 3.91Å
540	L	97.8	Very high	95.5	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-51	174.5	177.3	59.1	0	0	0	111.6	L151 W153 L176 V262 L509 L536 V538 N542 F543 V544	L151-L540 HydrophobicContact CD2-CD2 4.04Å; L151-L540 HydrophobicContact CD2-CG 4.36Å; W153-L540 HydrophobicContact CZ3-CD2 4.08Å; L176-L540 HydrophobicContact CD2-CD2 4.09Å; V262-L540 HydrophobicContact CB-CD1 4.47Å; V262-L540 HydrophobicContact CG1-CD1 4.05Å; V262-L540 HydrophobicContact CG2-CD1 3.97Å; L509-L540 HydrophobicContact CD2-CD2 3.75Å; L536-L540 WeakPolarHBondContact O-CB 3.39Å; L536-L540 PolarHBondContact O-N 3.37Å; V538-L540 PolarHBondContact O-N 3.34Å; L540-N542 VanDerWaalsContact C-N 3.33Å; L540-N542 PolarHBondContact O-N 2.93Å; L540-F543 WeakPolarHBondContact O-CB 3.26Å; L540-F543 PolarHBondContact O-N 3.33Å; L540-F543 VanDerWaalsContact O-N 3.14Å; L540-V544 HydrophobicContact CD1-CG2 4.42Å; L540-V544 WeakPolarHBondContact O-CG2 3.41Å; L540-V544 PolarHBondContact O-N 3.28Å
541	T	96	Very high	95	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.5	-33.4	-178.2	57.2	0	0	0	0	112.5	L176 Q179 V181 A537 V538 V544 K545	L176-T541 HydrophobicContact CD2-CG2 3.93Å; Q179-T541 HydrophobicContact CB-CG2 3.71Å; Q179-T541 HydrophobicContact CG-CG2 3.93Å; V181-T541 HydrophobicContact CG1-CG2 4.06Å; V181-T541 HydrophobicContact CG2-CG2 3.93Å; A537-T541 WeakPolarHBondContact O-CB 3.37Å; A537-T541 VanDerWaalsContact O-CG2 3.27Å; A537-T541 WeakPolarHBondContact O-CG2 3.44Å; A537-T541 PolarHBondContact O-N 2.96Å; A537-T541 PolarHBondContact O-OG1 3.43Å; V538-T541 PolarHBondContact O-N 2.93Å; V538-T541 PolarHBondContact O-OG1 3.32Å; T541-V544 PolarHBondContact O-N 3.19Å; T541-K545 WeakPolarHBondContact O-CB 3.45Å; T541-K545 WeakPolarHBondContact O-CD 3.38Å; T541-K545 WeakPolarHBondContact O-CG 2.94Å; T541-K545 PolarHBondContact O-N 3.39Å
542	N	95.5	Very high	94	Very high	18 Å²	18	18.4 Å²	18.4	10%	0.096	11%	0.106	C	C	.	.	H	α-helix	trans	-59.6	-44.7	169.7	-80.2	-13.6	0	0	0	112.1	V538 L540 K545 T546 N548 P549 G551	V538-N542 WeakPolarHBondContact O-CB 3.22Å; V538-N542 PolarHBondContact O-N 2.74Å; V538-N542 PolarHBondContact O-ND2 3.09Å; L540-N542 VanDerWaalsContact C-N 3.33Å; L540-N542 PolarHBondContact O-N 2.93Å; N542-K545 PolarHBondContact O-N 3.04Å; N542-T546 PolarHBondContact O-N 3Å; N542-T546 PolarHBondContact O-OG1 2.94Å; N542-N548 CarbonylContact C-O 3.47Å; N542-P549 VanDerWaalsContact CB-O 3.23Å; N542-P549 WeakPolarHBondContact CB-O 3.39Å; N542-P549 PolarHBondContact ND2-O 3.36Å; N542-G551 VanDerWaalsContact CG-CA 3.46Å; N542-G551 PolarHBondContact ND2-N 3.01Å
543	F	96.8	Very high	92	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-43.1	176.3	-175.6	-96.2	0	0	0	111.8	T234 Y260 V262 P377 M379 Y475 T539 L540 K545 T546 G547	T234-F543 HydrophobicContact CG2-CD1 4.49Å; T234-F543 HydrophobicContact CG2-CE1 4.44Å; Y260-F543 WeakPolarHBondContact CD2-O 3.29Å; Y260-F543 HydrophobicContact CG-CE1 4.38Å; V262-F543 HydrophobicContact CG2-CD1 3.58Å; V262-F543 HydrophobicContact CG2-CE1 3.62Å; P377-F543 HydrophobicContact CB-CZ 4.35Å; M379-F543 HydrophobicContact CB-CD1 4.08Å; M379-F543 HydrophobicContact CB-CD2 4.19Å; M379-F543 HydrophobicContact CB-CE1 3.88Å; M379-F543 HydrophobicContact CB-CE2 4.01Å; M379-F543 HydrophobicContact CB-CG 4.23Å; M379-F543 HydrophobicContact CB-CZ 3.84Å; M379-F543 HydrophobicContact CE-CB 3.46Å; M379-F543 VanDerWaalsContact CE-CB 3.46Å; M379-F543 HydrophobicContact CE-CD1 4.34Å; M379-F543 HydrophobicContact CE-CD2 3.89Å; M379-F543 HydrophobicContact CE-CG 3.64Å; Y475-F543 HydrophobicContact CD2-CD2 4.14Å; Y475-F543 AromaticContact CD2-CE2 3.83Å; Y475-F543 HydrophobicContact CD2-CE2 3.83Å; Y475-F543 HydrophobicContact CE2-CE2 4.31Å; T539-F543 PolarHBondContact O-N 3.07Å; T539-F543 VanDerWaalsContact O-N 3.07Å; L540-F543 WeakPolarHBondContact O-CB 3.26Å; L540-F543 PolarHBondContact O-N 3.33Å; L540-F543 VanDerWaalsContact O-N 3.14Å; F543-K545 VanDerWaalsContact C-N 3.27Å; F543-K545 PolarHBondContact O-N 3.49Å; F543-T546 PolarHBondContact O-N 2.95Å; F543-G547 WeakPolarHBondContact CD2-O 3.39Å; F543-G547 VanDerWaalsContact CE2-O 3.23Å; F543-G547 WeakPolarHBondContact CE2-O 3.23Å; F543-G547 VanDerWaalsContact O-CA 3.29Å; F543-G547 WeakPolarHBondContact O-CA 3.27Å; F543-G547 PolarHBondContact O-N 2.85Å
544	V	97.1	Very high	89.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.2	-42.3	174.5	171.6	0	0	0	0	111.4	P149 L151 V181 T234 R259 L540 T541	P149-V544 HydrophobicContact CB-CG1 4.03Å; P149-V544 HydrophobicContact CG-CG1 4.44Å; L151-V544 HydrophobicContact CB-CG1 4.38Å; L151-V544 HydrophobicContact CB-CG2 4.19Å; L151-V544 HydrophobicContact CD1-CG2 3.84Å; L151-V544 HydrophobicContact CD2-CG2 4.39Å; L151-V544 HydrophobicContact CG-CG2 4.37Å; V181-V544 HydrophobicContact CB-CG1 4.44Å; V181-V544 HydrophobicContact CG1-CG1 4.13Å; T234-V544 HydrophobicContact CG2-CG2 4.03Å; R259-V544 PolarHBondContact NH2-O 3.11Å; L540-V544 HydrophobicContact CD1-CG2 4.42Å; L540-V544 WeakPolarHBondContact O-CG2 3.41Å; L540-V544 PolarHBondContact O-N 3.28Å; T541-V544 PolarHBondContact O-N 3.19Å
545	K	94.8	Very high	87.6	Confident	60 Å²	60	34.6 Å²	34.6	26%	0.261	19%	0.19	S	C	.	.	H	α-helix	trans	-70.9	-39.7	179.4	-71.8	163.7	-176	176.8	0	113.7	P149 Q179 V181 R259 T541 N542 F543	P149-K545 HydrophobicContact CG-CG 3.78Å; Q179-K545 WeakPolarHBondContact O-CE 3.21Å; Q179-K545 PolarHBondContact O-NZ 2.88Å; V181-K545 HydrophobicContact CG1-CG 4.38Å; R259-K545 PolarHBondContact NH2-O 3.44Å; T541-K545 WeakPolarHBondContact O-CB 3.45Å; T541-K545 WeakPolarHBondContact O-CD 3.38Å; T541-K545 WeakPolarHBondContact O-CG 2.94Å; T541-K545 PolarHBondContact O-N 3.39Å; N542-K545 PolarHBondContact O-N 3.04Å; F543-K545 VanDerWaalsContact C-N 3.27Å; F543-K545 PolarHBondContact O-N 3.49Å
546	T	94.3	Very high	85.2	Confident	50 Å²	50	40.6 Å²	40.6	31%	0.307	22%	0.217	S	C	.	.	H	α-helix	trans	-128.3	-17.9	-163.5	66.7	0	0	0	0	115.1	Y260 N542 F543 N548 P552	Y260-T546 PolarHBondContact OH-O 2.75Å; N542-T546 PolarHBondContact O-N 3Å; N542-T546 PolarHBondContact O-OG1 2.94Å; F543-T546 PolarHBondContact O-N 2.95Å; T546-N548 VanDerWaalsContact C-N 3.26Å; T546-N548 PolarHBondContact OG1-N 2.95Å; T546-N548 VanDerWaalsContact OG1-N 3.11Å; T546-N548 PolarHBondContact OG1-O 3.13Å; T546-P552 HydrophobicContact CG2-CG 4.2Å
547	G	94.9	Very high	82.9	Confident	6 Å²	6	49.1 Å²	49.1	6%	0.062	26%	0.257	C	S	.	.	S	Bend	trans	80.5	9.7	-168.4	0	0	0	0	0	112.6	Y475 F543	Y475-G547 WeakPolarHBondContact CE2-O 3.45Å; F543-G547 WeakPolarHBondContact CD2-O 3.39Å; F543-G547 VanDerWaalsContact CE2-O 3.23Å; F543-G547 WeakPolarHBondContact CE2-O 3.23Å; F543-G547 VanDerWaalsContact O-CA 3.29Å; F543-G547 WeakPolarHBondContact O-CA 3.27Å; F543-G547 PolarHBondContact O-N 2.85Å
548	N	94.2	Very high	81	Confident	34 Å²	34	57.3 Å²	57.3	18%	0.182	29%	0.287	C	S	.	.			trans	-137.6	122	-179.8	-174.4	-24.6	0	0	0	110.3	Y475 N542 T546 N550 G551	Y475-N548 PolarHBondContact OH-ND2 3Å; N542-N548 CarbonylContact C-O 3.47Å; T546-N548 VanDerWaalsContact C-N 3.26Å; T546-N548 PolarHBondContact OG1-N 2.95Å; T546-N548 VanDerWaalsContact OG1-N 3.11Å; T546-N548 PolarHBondContact OG1-O 3.13Å; N548-N550 PolarHBondContact O-N 3.12Å; N548-N550 VanDerWaalsContact O-N 3.15Å; N548-N550 VanDerWaalsContact OD1-CB 3.31Å; N548-N550 WeakPolarHBondContact OD1-CB 3.28Å; N548-N550 PolarHBondContact OD1-N 3.35Å; N548-N550 PolarHBondContact OD1-ND2 3.22Å; N548-G551 PolarHBondContact O-N 3.42Å; N548-G551 VanDerWaalsContact O-N 3.13Å
549	P	95	Very high	79.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.4	-179.8	24.7	-33.3	0	0	0	114.2	M379 Y475 T539 N542 G551 W564	M379-P549 HydrophobicContact CE-CB 3.67Å; M379-P549 HydrophobicContact CE-CG 4.14Å; Y475-P549 VanDerWaalsContact CD1-CD 3.41Å; Y475-P549 HydrophobicContact CD1-CG 3.51Å; Y475-P549 HydrophobicContact CD2-CG 4.39Å; Y475-P549 HydrophobicContact CE1-CG 4.02Å; Y475-P549 VanDerWaalsContact CG-CD 3.41Å; Y475-P549 HydrophobicContact CG-CG 3.71Å; T539-P549 HydrophobicContact CG2-CB 4.37Å; T539-P549 WeakPolarHBondContact O-CA 3.28Å; N542-P549 VanDerWaalsContact CB-O 3.23Å; N542-P549 WeakPolarHBondContact CB-O 3.39Å; N542-P549 PolarHBondContact ND2-O 3.36Å; P549-G551 PolarHBondContact O-N 3.47Å; P549-W564 HydrophobicContact CB-CD2 4.13Å; P549-W564 HydrophobicContact CB-CE3 3.64Å; P549-W564 HydrophobicContact CB-CZ3 4.03Å; P549-W564 HydrophobicContact CG-CB 3.98Å; P549-W564 HydrophobicContact CG-CD2 3.7Å; P549-W564 HydrophobicContact CG-CE3 3.76Å; P549-W564 HydrophobicContact CG-CG 3.84Å; P549-W564 HydrophobicContact CG-CZ3 4.43Å
550	N	92.5	Very high	79.3	Confident	18 Å²	18	65.5 Å²	65.5	10%	0.096	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.4	178.4	-57.2	-74.6	0	0	0	113.1	N548 Y563 W564	N548-N550 PolarHBondContact O-N 3.12Å; N548-N550 VanDerWaalsContact O-N 3.15Å; N548-N550 VanDerWaalsContact OD1-CB 3.31Å; N548-N550 WeakPolarHBondContact OD1-CB 3.28Å; N548-N550 PolarHBondContact OD1-N 3.35Å; N548-N550 PolarHBondContact OD1-ND2 3.22Å; N550-Y563 HydrophobicContact CB-CD2 4.25Å; N550-Y563 HydrophobicContact CB-CE2 3.82Å; N550-Y563 VanDerWaalsContact CG-CE2 3.5Å; N550-W564 PolarHBondContact ND2-O 2.88Å; N550-W564 PolarHBondContact OD1-N 2.87Å
551	G	84.4	Confident	78.6	Confident	7 Å²	7	69.9 Å²	69.9	7%	0.072	35%	0.348	C	S	.	.			trans	79.1	-171.9	179.5	0	0	0	0	0	113.9	N542 N548 P549	N542-G551 VanDerWaalsContact CG-CA 3.46Å; N542-G551 PolarHBondContact ND2-N 3.01Å; N548-G551 PolarHBondContact O-N 3.42Å; N548-G551 VanDerWaalsContact O-N 3.13Å; P549-G551 PolarHBondContact O-N 3.47Å
552	P	72.8	Confident	78.3	Confident	68 Å²	68	71.5 Å²	71.5	44%	0.442	36%	0.359	S	S	.	.			trans	-67.5	134.4	175.9	-6.9	21.2	0	0	0	110.6	T546 K554 S555	T546-P552 HydrophobicContact CG2-CG 4.2Å; P552-K554 PolarHBondContact O-N 2.81Å; P552-S555 PolarHBondContact O-N 3.11Å; P552-S555 PolarHBondContact O-OG 2.83Å
553	V	54.2	Low	78	Confident	150 Å²	150	77.4 Å²	77.4	91%	0.909	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-22.1	-178.3	-176.4	0	0	0	0	113.5
554	K	50.3	Low	77.7	Confident	201 Å²	201	77.5 Å²	77.5	87%	0.874	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-14.1	-173.8	-66.5	-171.4	177.6	-175.8	0	115.7	P552 F556	P552-K554 PolarHBondContact O-N 2.81Å; K554-F556 PolarHBondContact O-N 2.93Å
555	S	48.8	Very low	77.3	Confident	60 Å²	60	79.2 Å²	79.2	42%	0.42	39%	0.393	S	S	.	.			trans	-84.1	95.4	178.4	59.8	0	0	0	0	110.6	P552 E557	P552-S555 PolarHBondContact O-N 3.11Å; P552-S555 PolarHBondContact O-OG 2.83Å; S555-E557 PolarHBondContact O-N 3.08Å
556	F	43.9	Very low	77.1	Confident	153 Å²	153	78.4 Å²	78.4	67%	0.671	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-61.9	-22.7	175.1	-121.4	-100.1	0	0	0	112.8	K554 R558	K554-F556 PolarHBondContact O-N 2.93Å; F556-R558 PolarHBondContact O-N 3.45Å
557	E	49.5	Very low	76.8	Confident	183 Å²	183	76.1 Å²	76.1	86%	0.855	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-80.8	-17.6	-161.4	-67.6	-176.9	165	0	0	115.8	S555	S555-E557 PolarHBondContact O-N 3.08Å
558	R	57.8	Low	76.2	Confident	175 Å²	175	79 Å²	79	66%	0.66	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-149.4	63.8	175	-65.4	-172.5	-170	178.5	3.4	111.7	F556 I560	F556-R558 PolarHBondContact O-N 3.45Å; R558-I560 PolarHBondContact O-N 2.96Å; R558-I560 VanDerWaalsContact O-N 3.11Å
559	R	70	Confident	74.8	Confident	170 Å²	170	81 Å²	81	64%	0.642	41%	0.408	S	S	*	.			trans	-60.4	118.1	172.3	-78.4	-171.8	-83.3	-150.3	-4.1	109.1	S561	R559-S561 PolarHBondContact O-N 3.06Å
560	I	84.4	Confident	73.4	Confident	20 Å²	20	82.9 Å²	82.9	10%	0.103	43%	0.427	C	S	.	.			trans	-53.5	123.3	171	-62.1	-57.3	0	0	0	108	Y535 V538 T539 R558 P562	Y535-I560 HydrophobicContact CE2-CD1 4.4Å; Y535-I560 HydrophobicContact CE2-CG2 3.94Å; V538-I560 HydrophobicContact CG1-CD1 4Å; T539-I560 HydrophobicContact CG2-CD1 3.71Å; T539-I560 HydrophobicContact CG2-CG1 4.17Å; T539-I560 HydrophobicContact CG2-CG2 4.3Å; R558-I560 PolarHBondContact O-N 2.96Å; R558-I560 VanDerWaalsContact O-N 3.11Å; I560-P562 CarbonylContact O-C 3.54Å
561	S	83.7	Confident	72.2	Confident	95 Å²	95	91.2 Å²	91.2	66%	0.664	46%	0.457	S	S	*	.	S	Bend	trans	-128.3	129.1	-179.4	-171.4	0	0	0	0	109.7	R559	R559-S561 PolarHBondContact O-N 3.06Å
562	P	89.1	Confident	71.6	Confident	33 Å²	33	91.2 Å²	91.2	21%	0.214	46%	0.458	C	S	.	.	S	Bend	cis	-64.1	159.2	-7.6	29.1	-33.7	0	0	0	111.8	I560 W564 M575 N581 L583	I560-P562 CarbonylContact O-C 3.54Å; P562-W564 PolarHBondContact O-N 3.31Å; P562-M575 HydrophobicContact CG-CE 3.83Å; P562-M575 HydrophobicContact CG-SD 3.92Å; P562-M575 WeakPolarHBondContact O-CE 3.37Å; P562-N581 WeakPolarHBondContact CD-O 3.49Å; P562-L583 HydrophobicContact CB-CD1 4.14Å; P562-L583 HydrophobicContact CB-CG 4.12Å; P562-L583 HydrophobicContact CG-CG 3.95Å
563	Y	89.5	Confident	72.4	Confident	143 Å²	143	92 Å²	92	56%	0.561	45%	0.454	S	S	*	.			trans	-61	126.2	176.2	-178.7	-91.7	0	0	0	110.1	N550 S565 L583	N550-Y563 HydrophobicContact CB-CD2 4.25Å; N550-Y563 HydrophobicContact CB-CE2 3.82Å; N550-Y563 VanDerWaalsContact CG-CE2 3.5Å; Y563-S565 PolarHBondContact O-N 3.01Å; Y563-L583 WeakPolarHBondContact O-CD1 3.35Å
564	W	90.8	Very high	74.3	Confident	1 Å²	1	85 Å²	85	0%	0.004	41%	0.412	C	S	.	.			trans	-81	93.7	-177.9	-160.3	-22.6	0	0	0	109.9	M379 Y475 A476 Y477 Y535 T539 P549 N550 P562 M575 I577	M379-W564 HydrophobicContact CE-CH2 4.39Å; Y475-W564 HydrophobicContact CD1-CG 4.31Å; Y475-W564 WeakPolarHBondContact CE1-O 3.31Å; A476-W564 WeakPolarHBondContact O-CZ2 3.42Å; A476-W564 PolarHBondContact O-NE1 2.73Å; Y477-W564 AromaticContact CD1-CH2 3.93Å; Y477-W564 HydrophobicContact CD1-CH2 3.93Å; Y477-W564 AromaticContact CD1-CZ2 3.95Å; Y477-W564 HydrophobicContact CD1-CZ2 3.95Å; Y477-W564 HydrophobicContact CG-CH2 4.07Å; Y477-W564 HydrophobicContact CG-CZ2 4.11Å; Y535-W564 HydrophobicContact CE1-CZ3 4.38Å; T539-W564 HydrophobicContact CG2-CE3 4.05Å; T539-W564 HydrophobicContact CG2-CZ3 3.91Å; P549-W564 HydrophobicContact CB-CD2 4.13Å; P549-W564 HydrophobicContact CB-CE3 3.64Å; P549-W564 HydrophobicContact CB-CZ3 4.03Å; P549-W564 HydrophobicContact CG-CB 3.98Å; P549-W564 HydrophobicContact CG-CD2 3.7Å; P549-W564 HydrophobicContact CG-CE3 3.76Å; P549-W564 HydrophobicContact CG-CG 3.84Å; P549-W564 HydrophobicContact CG-CZ3 4.43Å; N550-W564 PolarHBondContact ND2-O 2.88Å; N550-W564 PolarHBondContact OD1-N 2.87Å; P562-W564 PolarHBondContact O-N 3.31Å; W564-M575 HydrophobicContact CB-CE 3.85Å; W564-M575 HydrophobicContact CD2-CB 3.77Å; W564-M575 HydrophobicContact CD2-CE 4.13Å; W564-M575 HydrophobicContact CD2-CG 4.21Å; W564-M575 VanDerWaalsContact CE2-CB 3.5Å; W564-M575 HydrophobicContact CE3-CB 4.29Å; W564-M575 HydrophobicContact CE3-CE 4.36Å; W564-M575 HydrophobicContact CE3-CG 4.27Å; W564-M575 HydrophobicContact CG-CB 4.17Å; W564-M575 HydrophobicContact CG-CE 3.91Å; W564-M575 HydrophobicContact CH2-CB 4.4Å; W564-M575 HydrophobicContact CZ2-CB 3.91Å; W564-M575 HydrophobicContact CZ3-CG 4.47Å; W564-I577 HydrophobicContact CH2-CD1 4.31Å; W564-I577 HydrophobicContact CZ3-CD1 4.5Å
565	S	88.5	Confident	76.4	Confident	36 Å²	36	75.4 Å²	75.4	25%	0.252	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-65	142.7	178	53.2	0	0	0	0	111.5	Y563	Y563-S565 PolarHBondContact O-N 3.01Å
566	S	90	Very high	78.7	Confident	43 Å²	43	72.9 Å²	72.9	30%	0.301	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-65.5	140.9	168.1	-169.1	0	0	0	0	110	I474 D568	I474-S566 PolarHBondContact N-OG 2.68Å; I474-S566 CarbonylContact O-C 3.52Å; I474-S566 WeakPolarHBondContact O-CA 3.45Å; I474-S566 PolarHBondContact O-OG 2.88Å; S566-D568 PolarHBondContact O-N 3.11Å
567	F	89.5	Confident	81.2	Confident	3 Å²	3	65.7 Å²	65.7	1%	0.013	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-65.4	130.6	-180	174.4	-96.7	0	0	0	111.2	M464 R468 I474 V569 V586	M464-F567 HydrophobicContact CB-CD1 4.28Å; M464-F567 HydrophobicContact CB-CE1 4.18Å; R468-F567 HydrophobicContact CB-CE1 4.49Å; I474-F567 HydrophobicContact CB-CB 4.11Å; I474-F567 HydrophobicContact CD1-CD1 4.18Å; I474-F567 HydrophobicContact CG2-CB 4.19Å; I474-F567 PolarHBondContact O-N 3.22Å; F567-V569 HydrophobicContact CE1-CG2 4.04Å; F567-V569 HydrophobicContact CZ-CG2 4.47Å; F567-V586 HydrophobicContact CD2-CG2 3.96Å; F567-V586 HydrophobicContact CE2-CB 4.06Å; F567-V586 HydrophobicContact CE2-CG1 4.46Å; F567-V586 HydrophobicContact CE2-CG2 3.61Å
568	D	80.7	Confident	83.3	Confident	66 Å²	66	57.3 Å²	57.3	35%	0.353	28%	0.283	S	S	.	.			trans	-124.1	145.7	171.3	-157.8	-2.8	0	0	0	110.3	R468 S566 G570 G572	R468-D568 IonicContact CZ-OD1 3.34Å; R468-D568 IonicContact NE-OD1 3.51Å; R468-D568 PolarHBondContact NE-OD1 3.32Å; R468-D568 IonicContact NH2-OD1 2.89Å; R468-D568 PolarHBondContact NH2-OD1 2.86Å; R468-D568 IonicContact NH2-OD2 3.87Å; R468-D568 PolarHBondContact NH2-OD2 2.78Å; S566-D568 PolarHBondContact O-N 3.11Å; D568-G570 PolarHBondContact O-N 2.72Å; D568-G572 WeakPolarHBondContact O-CA 3.16Å; D568-G572 PolarHBondContact O-N 2.87Å
569	V	66	Low	85	Confident	77 Å²	77	57 Å²	57	47%	0.467	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	129.7	-178.1	169.5	0	0	0	0	109.2	R468 F567 W571	R468-V569 HydrophobicContact CB-CG2 3.9Å; R468-V569 HydrophobicContact CG-CB 4.38Å; R468-V569 HydrophobicContact CG-CG2 3.61Å; F567-V569 HydrophobicContact CE1-CG2 4.04Å; F567-V569 HydrophobicContact CZ-CG2 4.47Å; V569-W571 PolarHBondContact O-N 3.3Å
570	G	65.9	Low	86.1	Confident	39 Å²	39	57 Å²	57	40%	0.402	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	-33.1	-179.4	0	0	0	0	0	114.9	D568	D568-G570 PolarHBondContact O-N 2.72Å
571	W	67	Low	86.5	Confident	192 Å²	192	57.6 Å²	57.6	73%	0.727	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	-6.6	-176.8	-53.3	96.3	0	0	0	113.9	V569 K573	V569-W571 PolarHBondContact O-N 3.3Å; W571-K573 PolarHBondContact O-N 3.33Å
572	G	72.3	Confident	87.1	Confident	8 Å²	8	55.3 Å²	55.3	8%	0.082	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-62.7	127.8	-172.3	0	0	0	0	0	112.2	D568 V586	D568-G572 WeakPolarHBondContact O-CA 3.16Å; D568-G572 PolarHBondContact O-N 2.87Å; G572-V586 PolarHBondContact O-N 3.18Å
573	K	89	Confident	87.2	Confident	83 Å²	83	56.1 Å²	56.1	36%	0.361	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143.7	171.6	-57.8	-174.5	-173.4	-179.4	0	109.3	W571 L583 E584 R585	W571-K573 PolarHBondContact O-N 3.33Å; K573-L583 HydrophobicContact CB-CB 4.06Å; K573-L583 HydrophobicContact CB-CD2 4.27Å; K573-L583 HydrophobicContact CD-CB 3.66Å; K573-L583 HydrophobicContact CD-CD1 4.35Å; K573-E584 CarbonylContact C-O 3.57Å; K573-E584 WeakPolarHBondContact CA-O 3.49Å; K573-E584 WeakPolarHBondContact CB-O 3.35Å; K573-R585 HydrophobicContact CG-CG 4.49Å
574	Q	92.9	Very high	87.3	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.019	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	153.6	165	70.6	-171.6	32.8	0	0	109.7	Y457 A476 Q478 L583 E584 V586	Y457-Q574 PolarHBondContact OH-NE2 3.08Å; Y457-Q574 PolarHBondContact OH-OE1 2.89Å; A476-Q574 HydrophobicContact CB-CB 3.69Å; A476-Q574 WeakPolarHBondContact O-CA 3.41Å; Q478-Q574 VanDerWaalsContact CB-NE2 3.34Å; Q574-L583 WeakPolarHBondContact O-CA 3.16Å; Q574-E584 PolarHBondContact N-O 3.14Å; Q574-E584 PolarHBondContact O-N 3.12Å; Q574-V586 HydrophobicContact CB-CG2 4.18Å; Q574-V586 HydrophobicContact CG-CG2 4.41Å
575	M	95.3	Very high	87.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	119.6	171.4	-179.5	66.3	67.1	0	0	109.3	A476 Y477 Q478 Y535 P562 W564 I577 N581 L583	A476-M575 PolarHBondContact O-N 3.07Å; Y477-M575 CarbonylContact C-O 3.48Å; Y477-M575 WeakPolarHBondContact CA-O 3.26Å; Y477-M575 WeakPolarHBondContact CB-O 3.48Å; Q478-M575 PolarHBondContact N-O 2.79Å; Y535-M575 VanDerWaalsContact OH-CE 3.26Å; Y535-M575 WeakPolarHBondContact OH-CE 3.4Å; P562-M575 HydrophobicContact CG-CE 3.83Å; P562-M575 HydrophobicContact CG-SD 3.92Å; P562-M575 WeakPolarHBondContact O-CE 3.37Å; W564-M575 HydrophobicContact CB-CE 3.85Å; W564-M575 HydrophobicContact CD2-CB 3.77Å; W564-M575 HydrophobicContact CD2-CE 4.13Å; W564-M575 HydrophobicContact CD2-CG 4.21Å; W564-M575 VanDerWaalsContact CE2-CB 3.5Å; W564-M575 HydrophobicContact CE3-CB 4.29Å; W564-M575 HydrophobicContact CE3-CE 4.36Å; W564-M575 HydrophobicContact CE3-CG 4.27Å; W564-M575 HydrophobicContact CG-CB 4.17Å; W564-M575 HydrophobicContact CG-CE 3.91Å; W564-M575 HydrophobicContact CH2-CB 4.4Å; W564-M575 HydrophobicContact CZ2-CB 3.91Å; W564-M575 HydrophobicContact CZ3-CG 4.47Å; M575-I577 HydrophobicContact CG-CG1 3.76Å; M575-N581 HydrophobicContact SD-CB 3.93Å; M575-L583 HydrophobicContact CE-CD2 3.98Å
576	T	96.4	Very high	87.3	Confident	7 Å²	7	60.1 Å²	60.1	4%	0.043	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	115.1	167.5	-60.2	0	0	0	0	107.9	Q478 D480 N581 T582 E584	Q478-T576 CarbonylContact O-C 3.53Å; Q478-T576 VanDerWaalsContact O-CA 3.29Å; Q478-T576 WeakPolarHBondContact O-CA 3.38Å; D480-T576 HydrophobicContact CB-CG2 4.06Å; T576-N581 WeakPolarHBondContact O-CA 3.47Å; T576-T582 WeakPolarHBondContact CB-OG1 3.08Å; T576-T582 PolarHBondContact N-O 3.18Å; T576-T582 PolarHBondContact O-N 3.19Å; T576-T582 VanDerWaalsContact O-N 3.08Å; T576-E584 PolarHBondContact OG1-OE2 3.49Å
577	I	96.7	Very high	87.2	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	105.2	-177.3	-54.5	176.8	0	0	0	107.8	Y477 Q478 F479 D480 Y481 I532 Y535 L536 W564 M575	Y477-I577 HydrophobicContact CD2-CD1 3.77Å; Y477-I577 HydrophobicContact CD2-CG1 4.46Å; Y477-I577 HydrophobicContact CG-CD1 4.02Å; Q478-I577 PolarHBondContact O-N 2.88Å; F479-I577 HydrophobicContact CD2-CB 3.97Å; F479-I577 HydrophobicContact CD2-CG2 3.88Å; F479-I577 HydrophobicContact CE2-CG2 4.06Å; D480-I577 PolarHBondContact N-O 2.84Å; Y481-I577 PolarHBondContact N-O 3.12Å; I532-I577 HydrophobicContact CD1-CG2 4.35Å; Y535-I577 HydrophobicContact CD1-CD1 4.21Å; Y535-I577 HydrophobicContact CD1-CG1 4.41Å; Y535-I577 HydrophobicContact CD1-CG2 4.03Å; Y535-I577 HydrophobicContact CE1-CD1 3.87Å; Y535-I577 HydrophobicContact CE1-CG1 3.93Å; Y535-I577 HydrophobicContact CE1-CG2 4.33Å; L536-I577 HydrophobicContact CD2-CD1 3.75Å; L536-I577 HydrophobicContact CD2-CG2 4.36Å; W564-I577 HydrophobicContact CH2-CD1 4.31Å; W564-I577 HydrophobicContact CZ3-CD1 4.5Å; M575-I577 HydrophobicContact CG-CG1 3.76Å
578	G	94.9	Very high	87	Confident	7 Å²	7	63.7 Å²	63.7	7%	0.072	31%	0.305	C	S	.	.	S	Bend	trans	-143.4	-162.9	-172.5	0	0	0	0	0	111.5	I532 K580 N581	I532-G578 VanDerWaalsContact CD1-O 3.27Å; I532-G578 WeakPolarHBondContact CD1-O 3.46Å; G578-K580 PolarHBondContact O-N 2.83Å; G578-K580 VanDerWaalsContact O-N 3.12Å; G578-N581 PolarHBondContact N-OD1 2.92Å
579	R	92.5	Very high	87.5	Confident	170 Å²	170	62.9 Å²	62.9	64%	0.642	31%	0.312	S	S	*	.	S	Bend	trans	-53.8	-32.9	170.8	-71	-176.1	-177.1	-92.4	-1.8	112.5	Y481 M528	Y481-R579 HydrophobicContact CD2-CG 3.84Å; Y481-R579 HydrophobicContact CE2-CG 3.9Å; M528-R579 WeakPolarHBondContact CE-O 3.37Å
580	K	92.5	Very high	88.8	Confident	170 Å²	170	59.8 Å²	59.8	74%	0.739	29%	0.293	S	S	*	.	S	Bend	trans	-131	127.5	168.9	-178.8	179.6	179.5	-179	0	107.6	G578	G578-K580 PolarHBondContact O-N 2.83Å; G578-K580 VanDerWaalsContact O-N 3.12Å
581	N	94.2	Very high	90.1	Very high	32 Å²	32	58.8 Å²	58.8	17%	0.171	28%	0.278	C	S	.	.			trans	-73	131.8	176.7	-62.4	-23	0	0	0	110.3	Y535 P562 M575 T576 G578	Y535-N581 WeakPolarHBondContact CD2-ND2 3.21Å; Y535-N581 WeakPolarHBondContact CE2-ND2 3.29Å; Y535-N581 VanDerWaalsContact CZ-ND2 3.28Å; P562-N581 WeakPolarHBondContact CD-O 3.49Å; M575-N581 HydrophobicContact SD-CB 3.93Å; T576-N581 WeakPolarHBondContact O-CA 3.47Å; G578-N581 PolarHBondContact N-OD1 2.92Å
582	T	94.9	Very high	91.4	Very high	46 Å²	46	56.2 Å²	56.2	28%	0.282	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.9	-178.7	48.8	0	0	0	0	110.6	T576 E584	T576-T582 WeakPolarHBondContact CB-OG1 3.08Å; T576-T582 PolarHBondContact N-O 3.18Å; T576-T582 PolarHBondContact O-N 3.19Å; T576-T582 VanDerWaalsContact O-N 3.08Å; T582-E584 PolarHBondContact OG1-OE1 2.72Å
583	L	91.8	Very high	92.5	Very high	51 Å²	51	56.3 Å²	56.3	27%	0.267	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117	169.2	-74.1	172.6	0	0	0	108.9	P562 Y563 K573 Q574 M575	P562-L583 HydrophobicContact CB-CD1 4.14Å; P562-L583 HydrophobicContact CB-CG 4.12Å; P562-L583 HydrophobicContact CG-CG 3.95Å; Y563-L583 WeakPolarHBondContact O-CD1 3.35Å; K573-L583 HydrophobicContact CB-CB 4.06Å; K573-L583 HydrophobicContact CB-CD2 4.27Å; K573-L583 HydrophobicContact CD-CB 3.66Å; K573-L583 HydrophobicContact CD-CD1 4.35Å; Q574-L583 WeakPolarHBondContact O-CA 3.16Å; M575-L583 HydrophobicContact CE-CD2 3.98Å
584	E	91.6	Very high	92.7	Very high	80 Å²	80	53.6 Å²	53.6	37%	0.374	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143	-174.9	-70.7	171.8	-166.3	0	0	110.4	K573 Q574 T576 T582 V586	K573-E584 CarbonylContact C-O 3.57Å; K573-E584 WeakPolarHBondContact CA-O 3.49Å; K573-E584 WeakPolarHBondContact CB-O 3.35Å; Q574-E584 PolarHBondContact N-O 3.14Å; Q574-E584 PolarHBondContact O-N 3.12Å; T576-E584 PolarHBondContact OG1-OE2 3.49Å; T582-E584 PolarHBondContact OG1-OE1 2.72Å; E584-V586 PolarHBondContact O-N 2.9Å
585	R	90.4	Very high	92.7	Very high	176 Å²	176	54.5 Å²	54.5	66%	0.664	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	134.5	177.1	-74.9	-175.1	178.8	-172.5	0.3	109	K573	K573-R585 HydrophobicContact CG-CG 4.49Å
586	V	89	Confident	92.6	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.042	28%	0.28	C	S	.	.			trans	-62	130.8	171	178.8	0	0	0	0	108.8	I461 F567 G572 Q574 E584 L588	I461-V586 HydrophobicContact CB-CG1 4.46Å; I461-V586 HydrophobicContact CD1-CG1 3.76Å; I461-V586 HydrophobicContact CG1-CG1 3.92Å; I461-V586 HydrophobicContact CG2-CG1 3.63Å; F567-V586 HydrophobicContact CD2-CG2 3.96Å; F567-V586 HydrophobicContact CE2-CB 4.06Å; F567-V586 HydrophobicContact CE2-CG1 4.46Å; F567-V586 HydrophobicContact CE2-CG2 3.61Å; G572-V586 PolarHBondContact O-N 3.18Å; Q574-V586 HydrophobicContact CB-CG2 4.18Å; Q574-V586 HydrophobicContact CG-CG2 4.41Å; E584-V586 PolarHBondContact O-N 2.9Å; V586-L588 PolarHBondContact O-N 2.91Å
587	P	88.8	Confident	92.6	Very high	47 Å²	47	60.7 Å²	60.7	31%	0.305	29%	0.291	S	S	.	.			trans	-73.2	86.4	-174.8	29.5	-35.4	0	0	0	111.2	Y457 G589 L590 L591	Y457-P587 HydrophobicContact CE1-CG 3.93Å; Y457-P587 VanDerWaalsContact OH-CD 3.29Å; Y457-P587 WeakPolarHBondContact OH-CD 3.21Å; P587-G589 PolarHBondContact O-N 2.89Å; P587-L590 HydrophobicContact CB-CB 3.92Å; P587-L590 HydrophobicContact CG-CB 4.07Å; P587-L590 HydrophobicContact CG-CD2 3.87Å; P587-L590 WeakPolarHBondContact O-CB 3.34Å; P587-L590 PolarHBondContact O-N 3.4Å; P587-L591 PolarHBondContact O-N 3.16Å; P587-L591 VanDerWaalsContact O-N 3.12Å
588	L	85.4	Confident	92.5	Very high	74 Å²	74	60.8 Å²	60.8	39%	0.387	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-29	-178.4	-63.1	179.8	0	0	0	113.3	V586 L591 Y592	V586-L588 PolarHBondContact O-N 2.91Å; L588-L591 HydrophobicContact CD2-CD2 4.44Å; L588-L591 PolarHBondContact O-N 3.43Å; L588-Y592 WeakPolarHBondContact O-CB 3.46Å; L588-Y592 PolarHBondContact O-N 3.2Å
589	G	90	Very high	92.3	Very high	49 Å²	49	64 Å²	64	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-41.2	173.4	0	0	0	0	0	112.5	P587 Y592 F593	P587-G589 PolarHBondContact O-N 2.89Å; G589-Y592 PolarHBondContact O-N 3.25Å; G589-F593 WeakPolarHBondContact O-CB 3.18Å; G589-F593 PolarHBondContact O-N 3.36Å
590	L	93	Very high	92.4	Very high	12 Å²	12	59.8 Å²	59.8	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-46.8	174.4	177.1	68.9	0	0	0	111	Y430 Y431 D453 Y457 V458 P587 Y592 F593 W594	Y430-L590 HydrophobicContact CE1-CD1 3.89Å; Y430-L590 VanDerWaalsContact OH-CA 3.31Å; Y430-L590 WeakPolarHBondContact OH-CA 3.41Å; Y430-L590 PolarHBondContact OH-N 3.11Å; Y431-L590 WeakPolarHBondContact OH-CD1 2.97Å; D453-L590 HydrophobicContact CB-CD1 4.44Å; D453-L590 WeakPolarHBondContact OD2-CD1 3.41Å; Y457-L590 HydrophobicContact CD1-CD2 3.92Å; Y457-L590 HydrophobicContact CE1-CD2 3.86Å; V458-L590 HydrophobicContact CG2-CD1 4.45Å; V458-L590 HydrophobicContact CG2-CD2 4.02Å; V458-L590 HydrophobicContact CG2-CG 3.91Å; P587-L590 HydrophobicContact CB-CB 3.92Å; P587-L590 HydrophobicContact CG-CB 4.07Å; P587-L590 HydrophobicContact CG-CD2 3.87Å; P587-L590 WeakPolarHBondContact O-CB 3.34Å; P587-L590 PolarHBondContact O-N 3.4Å; L590-Y592 VanDerWaalsContact C-N 3.31Å; L590-Y592 PolarHBondContact O-N 3.01Å; L590-F593 PolarHBondContact O-N 3.48Å; L590-W594 PolarHBondContact O-N 2.86Å; L590-W594 VanDerWaalsContact O-N 3.14Å
591	L	92.9	Very high	92.5	Very high	18 Å²	18	52.9 Å²	52.9	9%	0.094	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-46.3	175.7	-179.7	67.4	0	0	0	110.9	V458 I461 K462 T465 P587 L588 W594 T595	V458-L591 HydrophobicContact CG1-CD1 4.11Å; I461-L591 HydrophobicContact CB-CD1 4.17Å; I461-L591 HydrophobicContact CG2-CB 4.29Å; I461-L591 HydrophobicContact CG2-CD1 3.77Å; I461-L591 HydrophobicContact CG2-CD2 3.77Å; I461-L591 HydrophobicContact CG2-CG 4.15Å; K462-L591 HydrophobicContact CB-CD1 4.16Å; T465-L591 HydrophobicContact CG2-CD2 3.66Å; P587-L591 PolarHBondContact O-N 3.16Å; P587-L591 VanDerWaalsContact O-N 3.12Å; L588-L591 HydrophobicContact CD2-CD2 4.44Å; L588-L591 PolarHBondContact O-N 3.43Å; L591-W594 PolarHBondContact O-N 3.39Å; L591-T595 HydrophobicContact CD1-CG2 3.58Å; L591-T595 HydrophobicContact CG-CG2 4.3Å; L591-T595 VanDerWaalsContact O-CB 3.28Å; L591-T595 WeakPolarHBondContact O-CB 3.26Å; L591-T595 WeakPolarHBondContact O-CG2 3.34Å; L591-T595 PolarHBondContact O-N 2.94Å; L591-T595 PolarHBondContact O-OG1 3.44Å
592	Y	94	Very high	92.3	Very high	138 Å²	138	54.2 Å²	54.2	54%	0.541	27%	0.27	S	S	.	.	H	α-helix	trans	-62.2	-44.5	179.2	-176.1	-86.5	0	0	0	111.7	L588 G589 L590 W594 T595 K596 T597	L588-Y592 WeakPolarHBondContact O-CB 3.46Å; L588-Y592 PolarHBondContact O-N 3.2Å; G589-Y592 PolarHBondContact O-N 3.25Å; L590-Y592 VanDerWaalsContact C-N 3.31Å; L590-Y592 PolarHBondContact O-N 3.01Å; Y592-W594 PolarHBondContact O-N 3.2Å; Y592-T595 PolarHBondContact O-N 3.43Å; Y592-K596 HydrophobicContact CD1-CB 4.33Å; Y592-K596 HydrophobicContact CD2-CB 3.94Å; Y592-K596 HydrophobicContact CD2-CG 3.91Å; Y592-K596 HydrophobicContact CE1-CB 4.17Å; Y592-K596 HydrophobicContact CE2-CB 3.77Å; Y592-K596 HydrophobicContact CE2-CG 3.89Å; Y592-K596 HydrophobicContact CG-CB 4.22Å; Y592-K596 WeakPolarHBondContact O-CA 3.47Å; Y592-K596 VanDerWaalsContact O-CB 3.3Å; Y592-K596 WeakPolarHBondContact O-CB 3.4Å; Y592-K596 PolarHBondContact O-N 3.18Å; Y592-T597 PolarHBondContact O-N 2.93Å; Y592-T597 VanDerWaalsContact O-N 3.1Å
593	F	95.9	Very high	92	Very high	11 Å²	11	57.8 Å²	57.8	5%	0.048	29%	0.285	C	S	.	.	I	π-helix	trans	-54.4	-55.6	177.1	172	-103.9	0	0	0	111.1	A426 I427 Y430 Y431 G589 L590 T597 I598	A426-F593 HydrophobicContact CB-CE2 4.28Å; A426-F593 HydrophobicContact CB-CZ 4.44Å; I427-F593 HydrophobicContact CG1-CE1 4.31Å; I427-F593 HydrophobicContact CG1-CZ 4.14Å; Y430-F593 HydrophobicContact CD1-CD1 4.04Å; Y430-F593 HydrophobicContact CD1-CE1 4.19Å; Y430-F593 HydrophobicContact CD1-CG 4.32Å; Y430-F593 HydrophobicContact CD2-CB 4.06Å; Y430-F593 HydrophobicContact CD2-CD1 4.18Å; Y430-F593 AromaticContact CD2-CD2 3.51Å; Y430-F593 HydrophobicContact CD2-CD2 3.51Å; Y430-F593 AromaticContact CD2-CE2 3.99Å; Y430-F593 HydrophobicContact CD2-CE2 3.99Å; Y430-F593 AromaticContact CD2-CG 3.63Å; Y430-F593 HydrophobicContact CD2-CG 3.63Å; Y430-F593 HydrophobicContact CE1-CD1 4.31Å; Y430-F593 HydrophobicContact CE1-CG 4.5Å; Y430-F593 HydrophobicContact CE2-CB 3.75Å; Y430-F593 HydrophobicContact CE2-CD1 4.43Å; Y430-F593 HydrophobicContact CE2-CD2 4.11Å; Y430-F593 AromaticContact CE2-CG 3.83Å; Y430-F593 HydrophobicContact CE2-CG 3.83Å; Y430-F593 AromaticContact CG-CD1 3.97Å; Y430-F593 HydrophobicContact CG-CD1 3.97Å; Y430-F593 AromaticContact CG-CD2 3.86Å; Y430-F593 HydrophobicContact CG-CD2 3.86Å; Y430-F593 HydrophobicContact CG-CE1 4.05Å; Y430-F593 AromaticContact CG-CE2 3.92Å; Y430-F593 HydrophobicContact CG-CE2 3.92Å; Y430-F593 AromaticContact CG-CG 3.89Å; Y430-F593 HydrophobicContact CG-CG 3.89Å; Y430-F593 HydrophobicContact CG-CZ 4.02Å; Y431-F593 HydrophobicContact CE2-CE1 4.2Å; G589-F593 WeakPolarHBondContact O-CB 3.18Å; G589-F593 PolarHBondContact O-N 3.36Å; L590-F593 PolarHBondContact O-N 3.48Å; F593-T597 HydrophobicContact CD2-CG2 4.2Å; F593-T597 HydrophobicContact CE2-CG2 4.39Å; F593-T597 WeakPolarHBondContact O-CA 2.96Å; F593-T597 WeakPolarHBondContact O-CB 3.4Å; F593-T597 PolarHBondContact O-N 3.39Å; F593-T597 VanDerWaalsContact O-N 3.14Å; F593-I598 HydrophobicContact CE1-CD1 4.21Å; F593-I598 HydrophobicContact CE1-CG1 4.21Å; F593-I598 HydrophobicContact CE2-CD1 4.08Å; F593-I598 HydrophobicContact CZ-CD1 3.7Å; F593-I598 HydrophobicContact CZ-CG1 4.18Å; F593-I598 PolarHBondContact O-N 2.99Å
594	W	94.8	Very high	91.9	Very high	25 Å²	25	59.2 Å²	59.2	10%	0.095	29%	0.293	C	S	.	.	I	π-helix	trans	-73.6	-32	-176.2	-76.9	107.4	0	0	0	114.4	I427 Y431 Q454 V458 L590 L591 Y592 I598	I427-W594 HydrophobicContact CD1-CH2 3.56Å; I427-W594 HydrophobicContact CD1-CZ3 3.85Å; I427-W594 HydrophobicContact CG1-CH2 3.72Å; I427-W594 HydrophobicContact CG1-CZ2 4.36Å; I427-W594 HydrophobicContact CG1-CZ3 4.13Å; Y431-W594 AromaticContact CE2-CZ2 3.76Å; Y431-W594 HydrophobicContact CE2-CZ2 3.76Å; Y431-W594 AromaticContact CZ-NE1 3.86Å; Y431-W594 PolarHBondContact OH-NE1 2.67Å; Q454-W594 HydrophobicContact CB-CH2 3.78Å; Q454-W594 HydrophobicContact CB-CZ2 4.07Å; Q454-W594 HydrophobicContact CB-CZ3 4.14Å; Q454-W594 HydrophobicContact CG-CH2 3.89Å; Q454-W594 HydrophobicContact CG-CZ3 3.84Å; V458-W594 HydrophobicContact CB-CB 4.45Å; V458-W594 HydrophobicContact CG1-CB 3.66Å; V458-W594 HydrophobicContact CG1-CG 4.21Å; V458-W594 HydrophobicContact CG2-CB 4.38Å; V458-W594 HydrophobicContact CG2-CG 4.1Å; L590-W594 PolarHBondContact O-N 2.86Å; L590-W594 VanDerWaalsContact O-N 3.14Å; L591-W594 PolarHBondContact O-N 3.39Å; Y592-W594 PolarHBondContact O-N 3.2Å; W594-I598 HydrophobicContact CE3-CG1 4Å; W594-I598 HydrophobicContact CZ3-CG1 4.44Å
595	T	91.7	Very high	91.4	Very high	23 Å²	23	61.2 Å²	61.2	14%	0.141	31%	0.311	C	S	.	.	I	π-helix	trans	-101.2	-11	-174.1	67.3	0	0	0	0	114.8	V458 K462 L591 Y592	V458-T595 HydrophobicContact CG1-CG2 4.15Å; K462-T595 HydrophobicContact CB-CG2 4.3Å; K462-T595 HydrophobicContact CD-CG2 3.79Å; K462-T595 HydrophobicContact CG-CG2 4.09Å; L591-T595 HydrophobicContact CD1-CG2 3.58Å; L591-T595 HydrophobicContact CG-CG2 4.3Å; L591-T595 VanDerWaalsContact O-CB 3.28Å; L591-T595 WeakPolarHBondContact O-CB 3.26Å; L591-T595 WeakPolarHBondContact O-CG2 3.34Å; L591-T595 PolarHBondContact O-N 2.94Å; L591-T595 PolarHBondContact O-OG1 3.44Å; Y592-T595 PolarHBondContact O-N 3.43Å
596	K	93.9	Very high	90.6	Very high	93 Å²	93	55.3 Å²	55.3	40%	0.404	29%	0.292	S	S	.	.	I	π-helix	trans	-126.9	-52.7	177.3	-65.6	-70	150.7	-141.6	0	112.2	Y592 E599 I600	Y592-K596 HydrophobicContact CD1-CB 4.33Å; Y592-K596 HydrophobicContact CD2-CB 3.94Å; Y592-K596 HydrophobicContact CD2-CG 3.91Å; Y592-K596 HydrophobicContact CE1-CB 4.17Å; Y592-K596 HydrophobicContact CE2-CB 3.77Å; Y592-K596 HydrophobicContact CE2-CG 3.89Å; Y592-K596 HydrophobicContact CG-CB 4.22Å; Y592-K596 WeakPolarHBondContact O-CA 3.47Å; Y592-K596 VanDerWaalsContact O-CB 3.3Å; Y592-K596 WeakPolarHBondContact O-CB 3.4Å; Y592-K596 PolarHBondContact O-N 3.18Å; K596-E599 IonicContact NZ-OE2 2.77Å; K596-E599 PolarHBondContact NZ-OE2 3.47Å; K596-E599 PolarHBondContact O-N 2.95Å; K596-I600 WeakPolarHBondContact O-CB 3.5Å; K596-I600 WeakPolarHBondContact O-CD1 3.27Å; K596-I600 WeakPolarHBondContact O-CG1 3.44Å; K596-I600 PolarHBondContact O-N 3.37Å
597	T	95.7	Very high	89.2	Confident	44 Å²	44	62.1 Å²	62.1	27%	0.27	32%	0.323	S	S	.	.	I	π-helix	trans	-62.5	-51.5	-179.2	-54.5	0	0	0	0	111.3	Y592 F593 E599 I600 I601	Y592-T597 PolarHBondContact O-N 2.93Å; Y592-T597 VanDerWaalsContact O-N 3.1Å; F593-T597 HydrophobicContact CD2-CG2 4.2Å; F593-T597 HydrophobicContact CE2-CG2 4.39Å; F593-T597 WeakPolarHBondContact O-CA 2.96Å; F593-T597 WeakPolarHBondContact O-CB 3.4Å; F593-T597 PolarHBondContact O-N 3.39Å; F593-T597 VanDerWaalsContact O-N 3.14Å; T597-E599 VanDerWaalsContact C-N 3.32Å; T597-E599 PolarHBondContact O-N 3.39Å; T597-I600 PolarHBondContact O-N 3.17Å; T597-I601 HydrophobicContact CG2-CD1 4.18Å; T597-I601 WeakPolarHBondContact O-CG1 3.39Å; T597-I601 PolarHBondContact O-N 2.91Å
598	I	94.7	Very high	87.7	Confident	4 Å²	4	69.1 Å²	69.1	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-63.9	-37.5	177.7	-61.5	-50.8	0	0	0	111.6	F417 V423 A426 I427 F593 W594 I601 Q602	F417-I598 HydrophobicContact CD1-CG2 4.43Å; F417-I598 HydrophobicContact CE1-CG2 4.29Å; V423-I598 HydrophobicContact CG1-CD1 4.05Å; V423-I598 HydrophobicContact CG1-CG2 4.18Å; V423-I598 HydrophobicContact CG2-CG2 4.14Å; A426-I598 HydrophobicContact CB-CD1 4.15Å; I427-I598 HydrophobicContact CG1-CD1 4.46Å; F593-I598 HydrophobicContact CE1-CD1 4.21Å; F593-I598 HydrophobicContact CE1-CG1 4.21Å; F593-I598 HydrophobicContact CE2-CD1 4.08Å; F593-I598 HydrophobicContact CZ-CD1 3.7Å; F593-I598 HydrophobicContact CZ-CG1 4.18Å; F593-I598 PolarHBondContact O-N 2.99Å; W594-I598 HydrophobicContact CE3-CG1 4Å; W594-I598 HydrophobicContact CZ3-CG1 4.44Å; I598-I601 HydrophobicContact CD1-CD1 4.17Å; I598-I601 PolarHBondContact O-N 2.62Å; I598-Q602 VanDerWaalsContact O-CG 3.3Å; I598-Q602 WeakPolarHBondContact O-CG 3.27Å; I598-Q602 PolarHBondContact O-N 2.92Å
599	E	91.4	Very high	86.1	Confident	75 Å²	75	72.9 Å²	72.9	35%	0.35	37%	0.372	S	S	.	.	H	α-helix	trans	-61.4	-46.7	175.5	-171.2	-178.8	-162.8	0	0	111.4	K596 T597 I601 Q602 M603	K596-E599 IonicContact NZ-OE2 2.77Å; K596-E599 PolarHBondContact NZ-OE2 3.47Å; K596-E599 PolarHBondContact O-N 2.95Å; T597-E599 VanDerWaalsContact C-N 3.32Å; T597-E599 PolarHBondContact O-N 3.39Å; E599-I601 PolarHBondContact O-N 2.64Å; E599-Q602 PolarHBondContact O-N 3.07Å; E599-M603 HydrophobicContact CG-CE 4.21Å; E599-M603 WeakPolarHBondContact O-CG 3.49Å; E599-M603 PolarHBondContact O-N 2.73Å
600	I	93.9	Very high	84.2	Confident	81 Å²	81	79 Å²	79	42%	0.415	38%	0.381	S	S	.	.	H	α-helix	trans	-59.1	-48.9	176.2	-70.5	163.7	0	0	0	110.5	K596 T597 Q602 M603 L604	K596-I600 WeakPolarHBondContact O-CB 3.5Å; K596-I600 WeakPolarHBondContact O-CD1 3.27Å; K596-I600 WeakPolarHBondContact O-CG1 3.44Å; K596-I600 PolarHBondContact O-N 3.37Å; T597-I600 PolarHBondContact O-N 3.17Å; I600-Q602 PolarHBondContact O-N 2.94Å; I600-M603 HydrophobicContact CG1-CE 4.1Å; I600-M603 PolarHBondContact O-N 3.38Å; I600-L604 WeakPolarHBondContact O-CG 3.39Å; I600-L604 PolarHBondContact O-N 3.15Å
601	I	93.7	Very high	82.2	Confident	25 Å²	25	83.3 Å²	83.3	13%	0.128	41%	0.407	C	S	.	.	H	α-helix	trans	-55.2	-43.7	177.9	-67.4	166.4	0	0	0	110.2	N419 Q422 V423 A426 T597 I598 E599 M603 L604	N419-I601 HydrophobicContact CB-CG2 4.22Å; N419-I601 PolarHBondContact ND2-O 2.8Å; Q422-I601 HydrophobicContact CB-CG2 3.7Å; V423-I601 HydrophobicContact CG2-CB 4.34Å; V423-I601 HydrophobicContact CG2-CG2 3.72Å; A426-I601 HydrophobicContact CB-CD1 3.53Å; T597-I601 HydrophobicContact CG2-CD1 4.18Å; T597-I601 WeakPolarHBondContact O-CG1 3.39Å; T597-I601 PolarHBondContact O-N 2.91Å; I598-I601 HydrophobicContact CD1-CD1 4.17Å; I598-I601 PolarHBondContact O-N 2.62Å; E599-I601 PolarHBondContact O-N 2.64Å; I601-M603 VanDerWaalsContact C-N 3.3Å; I601-M603 PolarHBondContact O-N 2.87Å; I601-L604 PolarHBondContact O-N 2.84Å
602	Q	90.5	Very high	80.3	Confident	60 Å²	60	89 Å²	89	28%	0.28	43%	0.432	S	S	.	.	H	α-helix	trans	-68.7	-24	179.5	-71.3	-173	87.1	0	0	114.2	V423 I598 E599 I600	V423-Q602 HydrophobicContact CG2-CG 4.18Å; I598-Q602 VanDerWaalsContact O-CG 3.3Å; I598-Q602 WeakPolarHBondContact O-CG 3.27Å; I598-Q602 PolarHBondContact O-N 2.92Å; E599-Q602 PolarHBondContact O-N 3.07Å; I600-Q602 PolarHBondContact O-N 2.94Å
603	M	89.8	Confident	78	Confident	121 Å²	121	91.2 Å²	91.2	60%	0.596	44%	0.444	S	S	*	.	H	α-helix	trans	-81.8	-18.2	176.1	-69.5	-174.3	-65.7	0	0	113.4	E599 I600 I601 T605	E599-M603 HydrophobicContact CG-CE 4.21Å; E599-M603 WeakPolarHBondContact O-CG 3.49Å; E599-M603 PolarHBondContact O-N 2.73Å; I600-M603 HydrophobicContact CG1-CE 4.1Å; I600-M603 PolarHBondContact O-N 3.38Å; I601-M603 VanDerWaalsContact C-N 3.3Å; I601-M603 PolarHBondContact O-N 2.87Å; M603-T605 PolarHBondContact O-N 2.84Å
604	L	87.9	Confident	75.8	Confident	81 Å²	81	96.8 Å²	96.8	42%	0.424	48%	0.479	S	S	.	.			trans	-63.2	135.3	179.7	-64.2	175.3	0	0	0	111.2	N419 I600 I601 L606	N419-L604 PolarHBondContact ND2-O 3.37Å; I600-L604 WeakPolarHBondContact O-CG 3.39Å; I600-L604 PolarHBondContact O-N 3.15Å; I601-L604 PolarHBondContact O-N 2.84Å; L604-L606 HydrophobicContact CB-CD2 3.89Å; L604-L606 HydrophobicContact CB-CG 4.03Å; L604-L606 HydrophobicContact CD1-CD2 4.19Å; L604-L606 PolarHBondContact O-N 2.93Å
605	T	82.4	Confident	73.2	Confident	122 Å²	122	99.4 Å²	99.4	75%	0.748	50%	0.499	S	S	*	.			trans	-89.5	97.9	165.9	-55.2	0	0	0	0	107	M603	M603-T605 PolarHBondContact O-N 2.84Å
606	L	72.6	Confident	70.9	Confident	51 Å²	51	102.2 Å²	102.2	27%	0.267	52%	0.518	S	S	.	.			trans	-90.9	122.1	-179.9	-58.9	174.4	0	0	0	108.6	N419 Q422 L604	N419-L606 HydrophobicContact CB-CD1 4.04Å; Q422-L606 HydrophobicContact CB-CD1 4.37Å; Q422-L606 HydrophobicContact CG-CD1 3.57Å; L604-L606 HydrophobicContact CB-CD2 3.89Å; L604-L606 HydrophobicContact CB-CG 4.03Å; L604-L606 HydrophobicContact CD1-CD2 4.19Å; L604-L606 PolarHBondContact O-N 2.93Å
607	H	61.3	Low	68.9	Low	151 Å²	151	105.3 Å²	105.3	70%	0.699	53%	0.534	S	S	*	.			trans	-66.9	138.7	165.8	-67.1	-76.3	0	0	0	108.5	D609 Y610	H607-D609 PolarHBondContact O-N 2.8Å; H607-Y610 PolarHBondContact O-N 2.8Å
608	H	56.3	Low	66.8	Low	194 Å²	194	108.3 Å²	108.3	90%	0.898	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	-14.8	-165.9	-80.4	-23.1	0	0	0	116.5
609	D	52.5	Low	64.3	Low	152 Å²	152	113.7 Å²	113.7	81%	0.813	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-0.9	-173.8	-60.8	-39	0	0	0	115.7	H607 V611	H607-D609 PolarHBondContact O-N 2.8Å; D609-V611 VanDerWaalsContact C-N 3.31Å; D609-V611 PolarHBondContact O-N 2.97Å
610	Y	49.2	Very low	61.8	Low	177 Å²	177	118.5 Å²	118.5	69%	0.694	60%	0.6	S	S	*	*			trans	-81	78.3	176.7	-97.8	-87.4	0	0	0	111.8	H607	H607-Y610 PolarHBondContact O-N 2.8Å
611	V	51.8	Low	59.4	Low	103 Å²	103	120.8 Å²	120.8	62%	0.624	62%	0.622	S	S	*	*			trans	-78.2	119.8	157.4	-177.6	0	0	0	0	106.9	D609 K613	D609-V611 VanDerWaalsContact C-N 3.31Å; D609-V611 PolarHBondContact O-N 2.97Å; V611-K613 VanDerWaalsContact C-N 3.27Å; V611-K613 PolarHBondContact O-N 3.33Å
612	F	51.3	Low	56.9	Low	138 Å²	138	122.6 Å²	122.6	61%	0.605	65%	0.646	S	S	*	*			trans	-59.8	95.5	166.2	-78.7	-86.4	0	0	0	107.8	Q422 T614	Q422-F612 HydrophobicContact CG-CD2 4.43Å; Q422-F612 HydrophobicContact CG-CE2 4.27Å; F612-T614 PolarHBondContact O-N 2.95Å
613	K	46.7	Very low	54.7	Low	184 Å²	184	123 Å²	123	80%	0.8	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-62	121.6	164.6	-75.9	-175.4	177.8	178.8	0	105.8	V611 P615	V611-K613 VanDerWaalsContact C-N 3.27Å; V611-K613 PolarHBondContact O-N 3.33Å; K613-P615 VanDerWaalsContact O-N 3.15Å
614	T	48.8	Very low	52.6	Low	129 Å²	129	124.6 Å²	124.6	79%	0.791	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-49.3	124.6	164.6	30.1	0	0	0	0	106.9	F612	F612-T614 PolarHBondContact O-N 2.95Å
615	P	41.2	Very low	50.9	Low	79 Å²	79	125.4 Å²	125.4	51%	0.513	69%	0.69	S	S	.	*	P	Polyproline II helix	trans	-54.8	135.7	-178.6	12.8	-22.4	0	0	0	108.6	K613 L619	K613-P615 VanDerWaalsContact O-N 3.15Å; P615-L619 HydrophobicContact CB-CB 3.76Å
616	P	42.6	Very low	49.5	Very low	83 Å²	83	123 Å²	123	54%	0.539	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-53.8	152.5	176.7	21	-30.3	0	0	0	109.5	S618 L619	P616-S618 PolarHBondContact O-N 3.14Å; P616-L619 HydrophobicContact CG-CD1 4.31Å; P616-L619 PolarHBondContact O-N 2.86Å
617	E	52.5	Low	48.8	Very low	157 Å²	157	125.5 Å²	125.5	73%	0.734	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-51	-25.1	-172.8	-78.2	-175.7	146.6	0	0	114.2	L619 R620	E617-L619 PolarHBondContact O-N 3.25Å; E617-R620 PolarHBondContact O-N 3.34Å
618	S	51.1	Low	48.6	Very low	108 Å²	108	124.6 Å²	124.6	76%	0.755	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-65.1	-15.1	173.3	58	0	0	0	0	115.5	P616	P616-S618 PolarHBondContact O-N 3.14Å
619	L	42.5	Very low	48.8	Very low	117 Å²	117	119.5 Å²	119.5	61%	0.613	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-115.4	3.4	179.3	-91.7	144.7	0	0	0	112.9	P615 P616 E617 C621	P615-L619 HydrophobicContact CB-CB 3.76Å; P616-L619 HydrophobicContact CG-CD1 4.31Å; P616-L619 PolarHBondContact O-N 2.86Å; E617-L619 PolarHBondContact O-N 3.25Å; L619-C621 PolarHBondContact O-N 2.79Å; L619-C621 VanDerWaalsContact O-N 3.08Å
620	R	40	Very low	49.5	Very low	175 Å²	175	114.5 Å²	114.5	66%	0.66	64%	0.64	S	S	*	*	S	Bend	trans	-61	116.3	158.2	-74.3	-175.6	176.7	-174.8	0.5	105	E617 G622	E617-R620 PolarHBondContact O-N 3.34Å; R620-G622 PolarHBondContact O-N 3.17Å
621	C	41.9	Very low	50.6	Low	130 Å²	130	110.4 Å²	110.4	88%	0.878	63%	0.63	S	S	*	*			trans	-47.8	96.1	175.6	-63.8	0	0	0	0	108.1	L619 G623	L619-C621 PolarHBondContact O-N 2.79Å; L619-C621 VanDerWaalsContact O-N 3.08Å; C621-G623 PolarHBondContact O-N 3.18Å
622	G	42.3	Very low	51.7	Low	62 Å²	62	110.1 Å²	110.1	64%	0.639	62%	0.624	S	S	*	*			trans	-55.8	115.8	169.9	0	0	0	0	0	103.9	R620 F624	R620-G622 PolarHBondContact O-N 3.17Å; G622-F624 PolarHBondContact O-N 2.67Å
623	G	43.1	Very low	52.8	Low	70 Å²	70	112 Å²	112	72%	0.722	63%	0.629	S	S	*	*			trans	-46.4	118.8	-179	0	0	0	0	0	107.2	C621 A625	C621-G623 PolarHBondContact O-N 3.18Å; G623-A625 VanDerWaalsContact C-N 3.28Å; G623-A625 WeakPolarHBondContact O-CA 3.27Å; G623-A625 PolarHBondContact O-N 2.89Å
624	F	47.4	Very low	54.2	Low	153 Å²	153	111 Å²	111	67%	0.671	62%	0.62	S	S	*	*			trans	-29.1	88.8	-166.2	-70.5	-86.4	0	0	0	111.7	G622 D626 V630	G622-F624 PolarHBondContact O-N 2.67Å; F624-D626 PolarHBondContact O-N 3.04Å; F624-V630 HydrophobicContact CB-CG2 4.29Å; F624-V630 HydrophobicContact CD1-CG2 3.3Å; F624-V630 HydrophobicContact CD2-CG2 4.37Å; F624-V630 HydrophobicContact CE1-CG2 3.55Å; F624-V630 HydrophobicContact CG-CG2 3.75Å; F624-V630 HydrophobicContact CZ-CG2 4.19Å
625	A	51.8	Low	55.8	Low	99 Å²	99	108.6 Å²	108.6	82%	0.818	61%	0.605	S	S	*	*	S	Bend	trans	-75.3	-16.3	-172.2	0	0	0	0	0	110.3	G623	G623-A625 VanDerWaalsContact C-N 3.28Å; G623-A625 WeakPolarHBondContact O-CA 3.27Å; G623-A625 PolarHBondContact O-N 2.89Å
626	D	52.5	Low	57.8	Low	71 Å²	71	107.3 Å²	107.3	38%	0.38	60%	0.601	S	S	.	*			trans	-123.1	111.7	174.1	-158.2	-21.4	0	0	0	111.2	F624 F628 D629	F624-D626 PolarHBondContact O-N 3.04Å; D626-F628 PolarHBondContact O-N 2.65Å; D626-F628 WeakPolarHBondContact OD1-CB 3.35Å; D626-F628 WeakPolarHBondContact OD1-CD2 3.49Å; D626-F628 PolarHBondContact OD1-N 3.07Å; D626-D629 PolarHBondContact O-N 3.26Å; D626-D629 VanDerWaalsContact O-N 3.08Å
627	P	56.9	Low	60	Low	103 Å²	103	109.8 Å²	109.8	67%	0.669	60%	0.603	S	S	*	*	H	α-helix	trans	-51.3	-23	169.5	-24.3	33.3	0	0	0	113.6	D629 L631	P627-D629 VanDerWaalsContact C-N 3.34Å; P627-D629 PolarHBondContact O-N 3.42Å; P627-L631 PolarHBondContact O-N 2.62Å
628	F	59	Low	61.6	Low	133 Å²	133	108 Å²	108	58%	0.583	59%	0.594	S	S	*	*	H	α-helix	trans	-67.9	-27.7	177.8	-70.7	-68.2	0	0	0	113.6	D626 L631 N632	D626-F628 PolarHBondContact O-N 2.65Å; D626-F628 WeakPolarHBondContact OD1-CB 3.35Å; D626-F628 WeakPolarHBondContact OD1-CD2 3.49Å; D626-F628 PolarHBondContact OD1-N 3.07Å; F628-L631 HydrophobicContact CD1-CD2 4.36Å; F628-L631 WeakPolarHBondContact O-CB 3.44Å; F628-L631 PolarHBondContact O-N 3.09Å; F628-N632 WeakPolarHBondContact O-CB 3.21Å; F628-N632 PolarHBondContact O-N 3.33Å; F628-N632 PolarHBondContact O-ND2 3.39Å
629	D	60.5	Low	63.4	Low	86 Å²	86	106.1 Å²	106.1	46%	0.46	58%	0.577	S	S	.	*	H	α-helix	trans	-70.7	-41.7	179.7	-82.1	-22.8	0	0	0	112.2	D626 P627 L631 N632 Y633	D626-D629 PolarHBondContact O-N 3.26Å; D626-D629 VanDerWaalsContact O-N 3.08Å; P627-D629 VanDerWaalsContact C-N 3.34Å; P627-D629 PolarHBondContact O-N 3.42Å; D629-L631 VanDerWaalsContact C-N 3.26Å; D629-L631 PolarHBondContact O-N 2.75Å; D629-N632 PolarHBondContact O-N 3.31Å; D629-Y633 VanDerWaalsContact O-CD2 3.31Å; D629-Y633 WeakPolarHBondContact O-CD2 3.41Å; D629-Y633 PolarHBondContact O-N 3Å
630	V	66.4	Low	65.6	Low	47 Å²	47	104.9 Å²	104.9	29%	0.285	58%	0.575	S	S	.	*	H	α-helix	trans	-63.5	-37.9	173.9	-179.2	0	0	0	0	110.3	F624 R634	F624-V630 HydrophobicContact CB-CG2 4.29Å; F624-V630 HydrophobicContact CD1-CG2 3.3Å; F624-V630 HydrophobicContact CD2-CG2 4.37Å; F624-V630 HydrophobicContact CE1-CG2 3.55Å; F624-V630 HydrophobicContact CG-CG2 3.75Å; F624-V630 HydrophobicContact CZ-CG2 4.19Å; V630-R634 WeakPolarHBondContact O-CB 3.35Å; V630-R634 VanDerWaalsContact O-CG 3.28Å; V630-R634 WeakPolarHBondContact O-CG 3.36Å; V630-R634 PolarHBondContact O-N 2.85Å
631	L	72.3	Confident	67.9	Low	92 Å²	92	100.2 Å²	100.2	48%	0.482	56%	0.563	S	S	.	*	H	α-helix	trans	-64.4	-44.6	175.5	-170.6	66	0	0	0	111	P627 F628 D629 R634 V635	P627-L631 PolarHBondContact O-N 2.62Å; F628-L631 HydrophobicContact CD1-CD2 4.36Å; F628-L631 WeakPolarHBondContact O-CB 3.44Å; F628-L631 PolarHBondContact O-N 3.09Å; D629-L631 VanDerWaalsContact C-N 3.26Å; D629-L631 PolarHBondContact O-N 2.75Å; L631-R634 PolarHBondContact O-N 2.88Å; L631-V635 HydrophobicContact CG-CG2 4.44Å; L631-V635 WeakPolarHBondContact O-CB 3.43Å; L631-V635 VanDerWaalsContact O-CG2 3.25Å; L631-V635 WeakPolarHBondContact O-CG2 3.48Å; L631-V635 PolarHBondContact O-N 2.99Å
632	N	75.9	Confident	70.1	Confident	96 Å²	96	98.5 Å²	98.5	51%	0.513	55%	0.548	S	S	.	.	H	α-helix	trans	-62.8	-43.6	178	-73.4	-27.1	0	0	0	112.2	F628 D629 V635 A636	F628-N632 WeakPolarHBondContact O-CB 3.21Å; F628-N632 PolarHBondContact O-N 3.33Å; F628-N632 PolarHBondContact O-ND2 3.39Å; D629-N632 PolarHBondContact O-N 3.31Å; N632-V635 PolarHBondContact O-N 2.84Å; N632-A636 WeakPolarHBondContact O-CB 3.34Å; N632-A636 PolarHBondContact O-N 2.86Å
633	Y	74.3	Confident	72.4	Confident	179 Å²	179	100.9 Å²	100.9	70%	0.702	55%	0.546	S	S	*	.	H	α-helix	trans	-64.1	-40.5	174.6	-87.6	-73.8	0	0	0	112.3	D629 A636 F637	D629-Y633 VanDerWaalsContact O-CD2 3.31Å; D629-Y633 WeakPolarHBondContact O-CD2 3.41Å; D629-Y633 PolarHBondContact O-N 3Å; Y633-A636 PolarHBondContact O-N 3.11Å; Y633-F637 VanDerWaalsContact O-CB 3.25Å; Y633-F637 WeakPolarHBondContact O-CB 3.43Å; Y633-F637 PolarHBondContact O-N 3.08Å
634	R	76.3	Confident	74.6	Confident	161 Å²	161	100.6 Å²	100.6	61%	0.608	53%	0.532	S	S	*	.	H	α-helix	trans	-63.7	-46.3	174.7	-76.9	177.2	174.9	-172.2	-0.4	111.1	V630 L631 A636 F637 F638	V630-R634 WeakPolarHBondContact O-CB 3.35Å; V630-R634 VanDerWaalsContact O-CG 3.28Å; V630-R634 WeakPolarHBondContact O-CG 3.36Å; V630-R634 PolarHBondContact O-N 2.85Å; L631-R634 PolarHBondContact O-N 2.88Å; R634-A636 PolarHBondContact O-N 2.82Å; R634-F637 PolarHBondContact O-N 2.74Å; R634-F638 HydrophobicContact CB-CD2 4.41Å; R634-F638 WeakPolarHBondContact O-CB 3.12Å; R634-F638 WeakPolarHBondContact O-CD2 3.32Å; R634-F638 PolarHBondContact O-N 3.11Å
635	V	81.6	Confident	76.6	Confident	79 Å²	79	98.1 Å²	98.1	48%	0.479	53%	0.526	S	S	.	.	H	α-helix	trans	-60.8	-46.1	177.3	170.6	0	0	0	0	110.5	L631 N632 F638 T639	L631-V635 HydrophobicContact CG-CG2 4.44Å; L631-V635 WeakPolarHBondContact O-CB 3.43Å; L631-V635 VanDerWaalsContact O-CG2 3.25Å; L631-V635 WeakPolarHBondContact O-CG2 3.48Å; L631-V635 PolarHBondContact O-N 2.99Å; N632-V635 PolarHBondContact O-N 2.84Å; V635-F638 PolarHBondContact O-N 2.81Å; V635-T639 VanDerWaalsContact O-CB 3.28Å; V635-T639 WeakPolarHBondContact O-CB 3.28Å; V635-T639 PolarHBondContact O-N 2.76Å; V635-T639 PolarHBondContact O-OG1 3.18Å
636	A	84	Confident	78.4	Confident	52 Å²	52	95.8 Å²	95.8	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-61.4	-47.4	176.9	0	0	0	0	0	111.8	N632 Y633 R634 T639 V640	N632-A636 WeakPolarHBondContact O-CB 3.34Å; N632-A636 PolarHBondContact O-N 2.86Å; Y633-A636 PolarHBondContact O-N 3.11Å; R634-A636 PolarHBondContact O-N 2.82Å; A636-T639 PolarHBondContact O-N 3.48Å; A636-V640 WeakPolarHBondContact O-CG2 3.47Å; A636-V640 PolarHBondContact O-N 3.24Å
637	F	86.9	Confident	80.1	Confident	135 Å²	135	97.7 Å²	97.7	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-59.9	-49	177.7	178.8	-95.1	0	0	0	111.9	Y633 R634 T639 V640 L641	Y633-F637 VanDerWaalsContact O-CB 3.25Å; Y633-F637 WeakPolarHBondContact O-CB 3.43Å; Y633-F637 PolarHBondContact O-N 3.08Å; R634-F637 PolarHBondContact O-N 2.74Å; F637-T639 VanDerWaalsContact C-N 3.33Å; F637-T639 PolarHBondContact O-N 2.71Å; F637-V640 PolarHBondContact O-N 2.82Å; F637-L641 WeakPolarHBondContact O-CB 3.47Å; F637-L641 PolarHBondContact O-N 3.45Å
638	F	86.6	Confident	81.6	Confident	120 Å²	120	97.4 Å²	97.4	53%	0.526	51%	0.512	S	S	.	.	H	α-helix	trans	-63.6	-40.2	177.3	-79	-65.3	0	0	0	111	R634 V635 V640 L641 T642	R634-F638 HydrophobicContact CB-CD2 4.41Å; R634-F638 WeakPolarHBondContact O-CB 3.12Å; R634-F638 WeakPolarHBondContact O-CD2 3.32Å; R634-F638 PolarHBondContact O-N 3.11Å; V635-F638 PolarHBondContact O-N 2.81Å; F638-V640 PolarHBondContact O-N 3.07Å; F638-L641 HydrophobicContact CD1-CD2 4.44Å; F638-L641 WeakPolarHBondContact O-CB 3.45Å; F638-L641 PolarHBondContact O-N 3.3Å; F638-T642 PolarHBondContact O-N 3.44Å; F638-T642 PolarHBondContact O-OG1 3.41Å
639	T	89.2	Confident	83	Confident	68 Å²	68	99.2 Å²	99.2	42%	0.417	52%	0.52	S	S	.	.	H	α-helix	trans	-61.1	-45.4	177.4	-55.4	0	0	0	0	112	V635 A636 F637 L641 T642 L643	V635-T639 VanDerWaalsContact O-CB 3.28Å; V635-T639 WeakPolarHBondContact O-CB 3.28Å; V635-T639 PolarHBondContact O-N 2.76Å; V635-T639 PolarHBondContact O-OG1 3.18Å; A636-T639 PolarHBondContact O-N 3.48Å; F637-T639 VanDerWaalsContact C-N 3.33Å; F637-T639 PolarHBondContact O-N 2.71Å; T639-L641 VanDerWaalsContact C-N 3.31Å; T639-L641 PolarHBondContact O-N 2.84Å; T639-T642 PolarHBondContact O-N 3.48Å; T639-L643 HydrophobicContact CG2-CD1 4.08Å; T639-L643 WeakPolarHBondContact O-CB 3.19Å; T639-L643 WeakPolarHBondContact O-CG 3.22Å; T639-L643 PolarHBondContact O-N 3.14Å
640	V	88.1	Confident	84.4	Confident	91 Å²	91	100.2 Å²	100.2	55%	0.552	53%	0.525	S	S	*	.	H	α-helix	trans	-63.3	-40.4	176	174.4	0	0	0	0	110.8	A636 F637 F638 L643 S644	A636-V640 WeakPolarHBondContact O-CG2 3.47Å; A636-V640 PolarHBondContact O-N 3.24Å; F637-V640 PolarHBondContact O-N 2.82Å; F638-V640 PolarHBondContact O-N 3.07Å; V640-L643 PolarHBondContact O-N 3.46Å; V640-S644 WeakPolarHBondContact O-CB 3.27Å; V640-S644 PolarHBondContact O-N 3.07Å; V640-S644 PolarHBondContact O-OG 2.91Å
641	L	88.5	Confident	85.4	Confident	78 Å²	78	103 Å²	103	41%	0.408	54%	0.537	S	S	.	.	H	α-helix	trans	-63.4	-45.9	176.8	-172.4	69.3	0	0	0	111.6	F637 F638 T639 S644 L645	F637-L641 WeakPolarHBondContact O-CB 3.47Å; F637-L641 PolarHBondContact O-N 3.45Å; F638-L641 HydrophobicContact CD1-CD2 4.44Å; F638-L641 WeakPolarHBondContact O-CB 3.45Å; F638-L641 PolarHBondContact O-N 3.3Å; T639-L641 VanDerWaalsContact C-N 3.31Å; T639-L641 PolarHBondContact O-N 2.84Å; L641-S644 PolarHBondContact O-N 3.14Å; L641-L645 HydrophobicContact CG-CD1 4.22Å; L641-L645 WeakPolarHBondContact O-CB 3.36Å; L641-L645 WeakPolarHBondContact O-CG 3.05Å; L641-L645 PolarHBondContact O-N 3.42Å
642	T	88.9	Confident	86.2	Confident	93 Å²	93	100.6 Å²	100.6	57%	0.571	54%	0.535	S	S	*	.	H	α-helix	trans	-64.4	-42.3	178.4	-22.7	0	0	0	0	111.5	F638 T639 S644 L645 A646	F638-T642 PolarHBondContact O-N 3.44Å; F638-T642 PolarHBondContact O-OG1 3.41Å; T639-T642 PolarHBondContact O-N 3.48Å; T642-S644 VanDerWaalsContact C-N 3.34Å; T642-S644 PolarHBondContact O-N 3.38Å; T642-L645 PolarHBondContact O-N 2.86Å; T642-A646 WeakPolarHBondContact O-CB 3.29Å; T642-A646 PolarHBondContact O-N 3.46Å
643	L	90.5	Very high	86.7	Confident	113 Å²	113	101.6 Å²	101.6	59%	0.592	54%	0.535	S	S	*	.	H	α-helix	trans	-63	-41.5	176.2	-74.9	169.7	0	0	0	111.5	T639 V640 A646 L647	T639-L643 HydrophobicContact CG2-CD1 4.08Å; T639-L643 WeakPolarHBondContact O-CB 3.19Å; T639-L643 WeakPolarHBondContact O-CG 3.22Å; T639-L643 PolarHBondContact O-N 3.14Å; V640-L643 PolarHBondContact O-N 3.46Å; L643-A646 PolarHBondContact O-N 2.87Å; L643-L647 WeakPolarHBondContact O-CB 3.44Å; L643-L647 PolarHBondContact O-N 2.6Å
644	S	88.8	Confident	87.3	Confident	63 Å²	63	96.7 Å²	96.7	44%	0.441	53%	0.526	S	S	.	.	H	α-helix	trans	-64	-44.4	177.3	-57.4	0	0	0	0	111.4	V640 L641 T642 L647 V648	V640-S644 WeakPolarHBondContact O-CB 3.27Å; V640-S644 PolarHBondContact O-N 3.07Å; V640-S644 PolarHBondContact O-OG 2.91Å; L641-S644 PolarHBondContact O-N 3.14Å; T642-S644 VanDerWaalsContact C-N 3.34Å; T642-S644 PolarHBondContact O-N 3.38Å; S644-L647 WeakPolarHBondContact O-CB 3.3Å; S644-L647 PolarHBondContact O-N 2.87Å; S644-V648 WeakPolarHBondContact O-CG2 3.29Å; S644-V648 PolarHBondContact O-N 3.48Å
645	L	89.6	Confident	87.6	Confident	102 Å²	102	92.9 Å²	92.9	53%	0.534	52%	0.523	S	S	.	.	H	α-helix	trans	-64.7	-40.7	176.2	-73.3	169.6	0	0	0	112.1	L641 T642 L647 V648 F649	L641-L645 HydrophobicContact CG-CD1 4.22Å; L641-L645 WeakPolarHBondContact O-CB 3.36Å; L641-L645 WeakPolarHBondContact O-CG 3.05Å; L641-L645 PolarHBondContact O-N 3.42Å; T642-L645 PolarHBondContact O-N 2.86Å; L645-L647 VanDerWaalsContact C-N 3.32Å; L645-L647 PolarHBondContact O-N 3.41Å; L645-V648 PolarHBondContact O-N 2.85Å; L645-F649 PolarHBondContact O-N 3.44Å
646	A	89.3	Confident	87.7	Confident	49 Å²	49	96.3 Å²	96.3	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-39.9	174.8	0	0	0	0	0	111.7	T642 L643 F649 L650	T642-A646 WeakPolarHBondContact O-CB 3.29Å; T642-A646 PolarHBondContact O-N 3.46Å; L643-A646 PolarHBondContact O-N 2.87Å; A646-F649 PolarHBondContact O-N 3.1Å; A646-L650 WeakPolarHBondContact O-CB 3.35Å; A646-L650 WeakPolarHBondContact O-CG 3.32Å; A646-L650 PolarHBondContact O-N 3.49Å
647	L	89.4	Confident	87.7	Confident	111 Å²	111	97.9 Å²	97.9	58%	0.581	53%	0.533	S	S	*	.	H	α-helix	trans	-64.1	-43	176.8	-147.1	105.5	0	0	0	111.7	L643 S644 L645 F649 L650 L651	L643-L647 WeakPolarHBondContact O-CB 3.44Å; L643-L647 PolarHBondContact O-N 2.6Å; S644-L647 WeakPolarHBondContact O-CB 3.3Å; S644-L647 PolarHBondContact O-N 2.87Å; L645-L647 VanDerWaalsContact C-N 3.32Å; L645-L647 PolarHBondContact O-N 3.41Å; L647-F649 VanDerWaalsContact C-N 3.33Å; L647-F649 PolarHBondContact O-N 3.08Å; L647-L650 PolarHBondContact O-N 2.89Å; L647-L651 HydrophobicContact CD2-CD1 4.25Å; L647-L651 WeakPolarHBondContact O-CB 3.2Å; L647-L651 VanDerWaalsContact O-CG 3.32Å; L647-L651 WeakPolarHBondContact O-CG 3.17Å; L647-L651 PolarHBondContact O-N 3.46Å
648	V	88.3	Confident	87.3	Confident	98 Å²	98	96.7 Å²	96.7	59%	0.594	53%	0.529	S	S	*	.	H	α-helix	trans	-62.4	-41.6	175	172.4	0	0	0	0	110.9	S644 L645 L651 G652	S644-V648 WeakPolarHBondContact O-CG2 3.29Å; S644-V648 PolarHBondContact O-N 3.48Å; L645-V648 PolarHBondContact O-N 2.85Å; V648-L651 PolarHBondContact O-N 3.24Å; V648-G652 PolarHBondContact O-N 2.82Å
649	F	88.4	Confident	86.9	Confident	170 Å²	170	95.7 Å²	95.7	75%	0.746	53%	0.532	S	S	*	.	H	α-helix	trans	-64.5	-43.6	176.7	-121.9	-83.6	0	0	0	112.4	L645 A646 L647 G652 F653	L645-F649 PolarHBondContact O-N 3.44Å; A646-F649 PolarHBondContact O-N 3.1Å; L647-F649 VanDerWaalsContact C-N 3.33Å; L647-F649 PolarHBondContact O-N 3.08Å; F649-G652 PolarHBondContact O-N 2.91Å; F649-F653 WeakPolarHBondContact O-CB 3.29Å; F649-F653 PolarHBondContact O-N 2.82Å
650	L	89.7	Confident	86.2	Confident	108 Å²	108	93.8 Å²	93.8	57%	0.565	53%	0.526	S	S	*	.	H	α-helix	trans	-62.1	-43.8	175.8	-81.8	163.1	0	0	0	111.7	A646 L647 G652 F653 C654	A646-L650 WeakPolarHBondContact O-CB 3.35Å; A646-L650 WeakPolarHBondContact O-CG 3.32Å; A646-L650 PolarHBondContact O-N 3.49Å; L647-L650 PolarHBondContact O-N 2.89Å; L650-G652 VanDerWaalsContact C-N 3.34Å; L650-G652 PolarHBondContact O-N 3.39Å; L650-F653 PolarHBondContact O-N 3.41Å; L650-C654 WeakPolarHBondContact O-CB 3.4Å; L650-C654 PolarHBondContact O-N 2.88Å; L650-C654 PolarHBondContact O-SG 3.21Å
651	L	87.5	Confident	85.2	Confident	104 Å²	104	94.7 Å²	94.7	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-61.5	-43.6	174.7	-75.1	166.9	0	0	0	111.4	L647 V648 F653 C654 C655	L647-L651 HydrophobicContact CD2-CD1 4.25Å; L647-L651 WeakPolarHBondContact O-CB 3.2Å; L647-L651 VanDerWaalsContact O-CG 3.32Å; L647-L651 WeakPolarHBondContact O-CG 3.17Å; L647-L651 PolarHBondContact O-N 3.46Å; V648-L651 PolarHBondContact O-N 3.24Å; L651-F653 PolarHBondContact O-N 2.91Å; L651-C654 PolarHBondContact O-N 3.14Å; L651-C655 PolarHBondContact O-N 2.88Å; L651-C655 PolarHBondContact O-SG 3.32Å; L651-C655 VanDerWaalsContact O-SG 3.39Å
652	G	88.7	Confident	84.1	Confident	42 Å²	42	97.4 Å²	97.4	43%	0.433	54%	0.536	S	S	.	.	H	α-helix	trans	-60.1	-43.8	174.5	0	0	0	0	0	112.8	V648 F649 L650 C655 F656	V648-G652 PolarHBondContact O-N 2.82Å; F649-G652 PolarHBondContact O-N 2.91Å; L650-G652 VanDerWaalsContact C-N 3.34Å; L650-G652 PolarHBondContact O-N 3.39Å; G652-C655 WeakPolarHBondContact O-CB 3.49Å; G652-C655 PolarHBondContact O-N 2.79Å; G652-F656 PolarHBondContact O-N 2.99Å
653	F	87.1	Confident	82.8	Confident	117 Å²	117	96.1 Å²	96.1	51%	0.513	53%	0.531	S	S	.	.	H	α-helix	trans	-66.8	-42	178.1	-171.4	-105.2	0	0	0	112.4	F649 L650 L651 C655 F656 L657	F649-F653 WeakPolarHBondContact O-CB 3.29Å; F649-F653 PolarHBondContact O-N 2.82Å; L650-F653 PolarHBondContact O-N 3.41Å; L651-F653 PolarHBondContact O-N 2.91Å; F653-C655 VanDerWaalsContact C-N 3.33Å; F653-C655 PolarHBondContact O-N 2.81Å; F653-F656 WeakPolarHBondContact O-CB 3.18Å; F653-F656 PolarHBondContact O-N 2.77Å; F653-L657 HydrophobicContact CD1-CD1 3.8Å; F653-L657 HydrophobicContact CD1-CG 4.29Å; F653-L657 HydrophobicContact CE1-CD1 3.42Å; F653-L657 VanDerWaalsContact CE1-CD1 3.42Å; F653-L657 HydrophobicContact CE1-CG 3.98Å; F653-L657 HydrophobicContact CZ-CD1 4.08Å; F653-L657 HydrophobicContact CZ-CD2 4.36Å; F653-L657 HydrophobicContact CZ-CG 4.22Å; F653-L657 PolarHBondContact O-N 3.05Å
654	C	85.8	Confident	81.2	Confident	76 Å²	76	97 Å²	97	51%	0.514	53%	0.532	S	S	.	.	H	α-helix	trans	-60	-42.7	173.2	-74.7	0	0	0	0	111.8	L650 L651 L657 H658	L650-C654 WeakPolarHBondContact O-CB 3.4Å; L650-C654 PolarHBondContact O-N 2.88Å; L650-C654 PolarHBondContact O-SG 3.21Å; L651-C654 PolarHBondContact O-N 3.14Å; C654-L657 PolarHBondContact O-N 3.27Å; C654-H658 WeakPolarHBondContact O-CB 3.33Å; C654-H658 PolarHBondContact O-N 2.91Å
655	C	83.2	Confident	79.7	Confident	82 Å²	82	101.9 Å²	101.9	55%	0.554	55%	0.545	S	S	*	.	H	α-helix	trans	-61.9	-44.3	173.8	-75.6	0	0	0	0	111.8	L651 G652 F653 H658 V659	L651-C655 PolarHBondContact O-N 2.88Å; L651-C655 PolarHBondContact O-SG 3.32Å; L651-C655 VanDerWaalsContact O-SG 3.39Å; G652-C655 WeakPolarHBondContact O-CB 3.49Å; G652-C655 PolarHBondContact O-N 2.79Å; F653-C655 VanDerWaalsContact C-N 3.33Å; F653-C655 PolarHBondContact O-N 2.81Å; C655-H658 PolarHBondContact O-N 2.58Å; C655-V659 WeakPolarHBondContact O-CG2 3.49Å; C655-V659 PolarHBondContact O-N 3.26Å
656	F	84	Confident	78.2	Confident	150 Å²	150	100.7 Å²	100.7	66%	0.658	55%	0.545	S	S	*	.	H	α-helix	trans	-60.7	-46.8	177.6	-176.1	-95.6	0	0	0	112.1	G652 F653 H658 V659 G660	G652-F656 PolarHBondContact O-N 2.99Å; F653-F656 WeakPolarHBondContact O-CB 3.18Å; F653-F656 PolarHBondContact O-N 2.77Å; F656-H658 VanDerWaalsContact C-N 3.32Å; F656-H658 PolarHBondContact O-N 3.17Å; F656-V659 PolarHBondContact O-N 3.03Å; F656-G660 PolarHBondContact O-N 3.07Å
657	L	82.5	Confident	76.6	Confident	86 Å²	86	101 Å²	101	45%	0.45	55%	0.548	S	S	.	.	H	α-helix	trans	-61.3	-40.2	175	-74	176.8	0	0	0	112.2	F653 C654 V659 G660 L661	F653-L657 HydrophobicContact CD1-CD1 3.8Å; F653-L657 HydrophobicContact CD1-CG 4.29Å; F653-L657 HydrophobicContact CE1-CD1 3.42Å; F653-L657 VanDerWaalsContact CE1-CD1 3.42Å; F653-L657 HydrophobicContact CE1-CG 3.98Å; F653-L657 HydrophobicContact CZ-CD1 4.08Å; F653-L657 HydrophobicContact CZ-CD2 4.36Å; F653-L657 HydrophobicContact CZ-CG 4.22Å; F653-L657 PolarHBondContact O-N 3.05Å; C654-L657 PolarHBondContact O-N 3.27Å; L657-V659 VanDerWaalsContact C-N 3.35Å; L657-V659 PolarHBondContact O-N 2.83Å; L657-G660 PolarHBondContact O-N 2.98Å; L657-L661 WeakPolarHBondContact O-CB 3.43Å; L657-L661 WeakPolarHBondContact O-CG 3.49Å; L657-L661 PolarHBondContact O-N 3.35Å
658	H	79.2	Confident	75	Confident	109 Å²	109	101.8 Å²	101.8	51%	0.505	55%	0.552	S	S	.	*	H	α-helix	trans	-66.4	-37.5	179	-162	75.8	0	0	0	112.1	C654 C655 F656 K662	C654-H658 WeakPolarHBondContact O-CB 3.33Å; C654-H658 PolarHBondContact O-N 2.91Å; C655-H658 PolarHBondContact O-N 2.58Å; F656-H658 VanDerWaalsContact C-N 3.32Å; F656-H658 PolarHBondContact O-N 3.17Å; H658-K662 WeakPolarHBondContact NE2-CE 3.15Å; H658-K662 PolarHBondContact O-N 2.72Å
659	V	77.9	Confident	73.4	Confident	100 Å²	100	107.5 Å²	107.5	61%	0.606	56%	0.563	S	S	*	*	H	α-helix	trans	-69.2	-43.1	174.3	174.4	0	0	0	0	111	C655 F656 L657 L661 K662 S663	C655-V659 WeakPolarHBondContact O-CG2 3.49Å; C655-V659 PolarHBondContact O-N 3.26Å; F656-V659 PolarHBondContact O-N 3.03Å; L657-V659 VanDerWaalsContact C-N 3.35Å; L657-V659 PolarHBondContact O-N 2.83Å; V659-L661 PolarHBondContact O-N 3.47Å; V659-K662 PolarHBondContact O-N 3.01Å; V659-S663 PolarHBondContact O-N 3.05Å
660	G	74.4	Confident	71.6	Confident	28 Å²	28	110.3 Å²	110.3	29%	0.289	57%	0.569	S	S	.	*	H	α-helix	trans	-63.1	-38.4	176.3	0	0	0	0	0	113.5	F656 L657 K662 S663 H664	F656-G660 PolarHBondContact O-N 3.07Å; L657-G660 PolarHBondContact O-N 2.98Å; G660-K662 VanDerWaalsContact C-N 3.33Å; G660-K662 PolarHBondContact O-N 2.91Å; G660-S663 PolarHBondContact O-N 3.15Å; G660-S663 PolarHBondContact O-OG 2.78Å; G660-H664 PolarHBondContact O-N 2.85Å; G660-H664 VanDerWaalsContact O-N 3.13Å
661	L	67.9	Low	69.5	Low	109 Å²	109	114 Å²	114	57%	0.571	58%	0.583	S	S	*	*	H	α-helix	trans	-67.5	-33.6	174.4	-78.8	164.9	0	0	0	112.4	L657 V659 K665	L657-L661 WeakPolarHBondContact O-CB 3.43Å; L657-L661 WeakPolarHBondContact O-CG 3.49Å; L657-L661 PolarHBondContact O-N 3.35Å; V659-L661 PolarHBondContact O-N 3.47Å; L661-K665 PolarHBondContact O-N 2.97Å; L661-K665 VanDerWaalsContact O-N 3.14Å
662	K	64.6	Low	67.3	Low	135 Å²	135	115.1 Å²	115.1	59%	0.587	62%	0.619	S	S	*	*	H	α-helix	trans	-70.7	-37.3	174.7	-81.4	-174.3	178.4	177.5	0	112.3	H658 V659 G660 K665 S666	H658-K662 WeakPolarHBondContact NE2-CE 3.15Å; H658-K662 PolarHBondContact O-N 2.72Å; V659-K662 PolarHBondContact O-N 3.01Å; G660-K662 VanDerWaalsContact C-N 3.33Å; G660-K662 PolarHBondContact O-N 2.91Å; K662-K665 PolarHBondContact O-N 3.05Å; K662-S666 PolarHBondContact O-N 2.87Å
663	S	61.2	Low	66.2	Low	66 Å²	66	118.8 Å²	118.8	46%	0.462	63%	0.629	S	S	.	*	H	α-helix	trans	-67.9	-37	176.4	72.6	0	0	0	0	112.1	V659 G660 S666 A667	V659-S663 PolarHBondContact O-N 3.05Å; G660-S663 PolarHBondContact O-N 3.15Å; G660-S663 PolarHBondContact O-OG 2.78Å; S663-S666 PolarHBondContact O-N 2.9Å; S663-S666 PolarHBondContact O-OG 2.93Å; S663-A667 PolarHBondContact O-N 3.2Å
664	H	57.9	Low	65.1	Low	132 Å²	132	118.8 Å²	118.8	61%	0.611	64%	0.635	S	S	*	*	H	α-helix	trans	-66.8	-38.5	173.7	-98.4	-71.8	0	0	0	113	G660 S666 A667 N668	G660-H664 PolarHBondContact O-N 2.85Å; G660-H664 VanDerWaalsContact O-N 3.13Å; H664-S666 VanDerWaalsContact C-N 3.33Å; H664-S666 PolarHBondContact O-N 3.4Å; H664-A667 PolarHBondContact O-N 3.35Å; H664-N668 PolarHBondContact O-N 2.84Å
665	K	57.8	Low	64	Low	165 Å²	165	121.2 Å²	121.2	72%	0.717	64%	0.642	S	S	*	*	H	α-helix	trans	-69.2	-28.4	175.6	-79	-172.6	177.4	-177.3	0	113.2	L661 K662	L661-K665 PolarHBondContact O-N 2.97Å; L661-K665 VanDerWaalsContact O-N 3.14Å; K662-K665 PolarHBondContact O-N 3.05Å
666	S	57.1	Low	62.9	Low	78 Å²	78	123.5 Å²	123.5	55%	0.545	65%	0.647	S	S	.	*	H	α-helix	trans	-78.7	-32.2	174.7	68.8	0	0	0	0	112.6	K662 S663 H664 R669	K662-S666 PolarHBondContact O-N 2.87Å; S663-S666 PolarHBondContact O-N 2.9Å; S663-S666 PolarHBondContact O-OG 2.93Å; H664-S666 VanDerWaalsContact C-N 3.33Å; H664-S666 PolarHBondContact O-N 3.4Å; S666-R669 PolarHBondContact O-N 2.87Å
667	A	55.9	Low	61.5	Low	55 Å²	55	121.9 Å²	121.9	46%	0.455	65%	0.646	S	S	.	*	H	α-helix	trans	-65	-46.4	174.3	0	0	0	0	0	112	S663 H664 R669 R670	S663-A667 PolarHBondContact O-N 3.2Å; H664-A667 PolarHBondContact O-N 3.35Å; A667-R669 PolarHBondContact O-N 3.05Å; A667-R669 VanDerWaalsContact O-N 3.16Å; A667-R670 PolarHBondContact O-N 3.29Å; A667-R670 VanDerWaalsContact O-N 3.09Å
668	N	55.1	Low	60.1	Low	127 Å²	127	124.3 Å²	124.3	68%	0.679	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-12.5	-179.4	-77.8	9.5	0	0	0	114.5	H664	H664-N668 PolarHBondContact O-N 2.84Å
669	R	55.1	Low	58.8	Low	218 Å²	218	125.4 Å²	125.4	82%	0.823	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-2.5	173.1	-96.5	-171.9	-178.3	-172.6	0.5	113.9	S666 A667	S666-R669 PolarHBondContact O-N 2.87Å; A667-R669 PolarHBondContact O-N 3.05Å; A667-R669 VanDerWaalsContact O-N 3.16Å
670	R	50.3	Low	57.3	Low	230 Å²	230	127.3 Å²	127.3	87%	0.868	68%	0.675	S	S	*	*	S	Bend	trans	-101.2	-5	176.4	-86	-173.2	176.2	-177.8	-1	114.6	A667	A667-R670 PolarHBondContact O-N 3.29Å; A667-R670 VanDerWaalsContact O-N 3.09Å
671	E	46.8	Very low	55.9	Low	186 Å²	186	135.6 Å²	135.6	87%	0.869	71%	0.707	S	S	*	*			trans	-113.6	9	176.4	-75.8	-170.4	163.5	0	0	114.6
672	G	40.7	Very low	54.8	Low	126 Å²	126	138 Å²	138	100%	1.299	72%	0.72	S	S	*	*			trans	-114.8	0	164.3	0	0	0	0	0	109.5

Retrieved 672 of 672 residues in 210.5 ms (Link to these results)

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