A0A087Y9Q8_POEFO Loading...

PHD finger protein 10

AlphaFold DB , UniProt , Accession A0A087Y9Q8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 487 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	43.7	Very low	37	Very low	254 Å²	254	147 Å²	147	100%	1.251	85%	0.851	S	S	*	*				0	102	0	-71.7	-144.8	-174.4	0	0	108.7
2	A	31.7	Very low	36.4	Very low	98 Å²	98	147.8 Å²	147.8	81%	0.81	85%	0.85	S	S	*	*			trans	-134.3	127.3	173.7	0	0	0	0	0	107.2
3	A	31.8	Very low	36.1	Very low	100 Å²	100	145.1 Å²	145.1	83%	0.826	85%	0.845	S	S	*	*			trans	-72	131	-170.5	0	0	0	0	0	111.5
4	V	38.7	Very low	36	Very low	139 Å²	139	145.4 Å²	145.4	84%	0.842	84%	0.842	S	S	*	*			trans	-69.9	128.6	166.8	177.2	0	0	0	0	108.3
5	L	37	Very low	35.8	Very low	154 Å²	154	143.8 Å²	143.8	81%	0.806	84%	0.839	S	S	*	*			trans	-118.2	139.5	162.3	-73.5	177.9	0	0	0	109.6
6	P	34.3	Very low	35.4	Very low	113 Å²	113	141.2 Å²	141.2	73%	0.734	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-80.3	146.8	-168.5	31.2	-34.5	0	0	0	113.5
7	I	42.6	Very low	35.3	Very low	171 Å²	171	140.5 Å²	140.5	88%	0.877	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-72.4	128.7	173.3	-63.8	168.5	0	0	0	109
8	R	35.8	Very low	35.2	Very low	232 Å²	232	139.4 Å²	139.4	88%	0.875	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-85.9	142.2	173.2	-76.8	-178.3	173	-171.5	-3.7	110.7
9	P	41.4	Very low	34.7	Very low	115 Å²	115	136.3 Å²	136.3	75%	0.747	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-77.5	159.3	173	30.9	-32.1	0	0	0	112.6
10	P	37.6	Very low	34.4	Very low	123 Å²	123	134.7 Å²	134.7	80%	0.799	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-71.3	149.1	177.6	29.5	-32	0	0	0	112
11	C	32.4	Very low	34.1	Very low	118 Å²	118	137.3 Å²	137.3	80%	0.797	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-81.5	119.8	-174.5	47.5	0	0	0	0	112.8
12	D	30.1	Very low	33.2	Very low	156 Å²	156	130.5 Å²	130.5	83%	0.834	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-72.7	131	162.3	-76.5	-41.4	0	0	0	110.5
13	S	32.7	Very low	33.1	Very low	113 Å²	113	134.1 Å²	134.1	79%	0.79	82%	0.819	S	S	*	*			trans	-111.7	93.4	167.8	-60.9	0	0	0	0	108.7
14	N	34.3	Very low	33	Very low	149 Å²	149	137.9 Å²	137.9	80%	0.797	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-89.5	137.2	166.8	-84.5	-36	0	0	0	110
15	P	33	Very low	32.5	Very low	122 Å²	122	139.2 Å²	139.2	79%	0.792	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-76.8	143.3	172.7	29.8	-30.9	0	0	0	111.9
16	A	29.5	Very low	32.1	Very low	102 Å²	102	139.8 Å²	139.8	84%	0.843	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-75.6	132.9	-172	0	0	0	0	0	114
17	T	33.6	Very low	31.8	Very low	129 Å²	129	140.3 Å²	140.3	79%	0.791	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-77.3	136.9	160.5	-44.3	0	0	0	0	110.1
18	P	32.8	Very low	31.2	Very low	122 Å²	122	139.2 Å²	139.2	79%	0.792	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-83.5	127.1	168.6	17.1	-4.8	0	0	0	111
19	G	26.1	Very low	30.9	Very low	80 Å²	80	134.7 Å²	134.7	83%	0.825	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-76.3	133.8	174.8	0	0	0	0	0	112.7
20	A	28.8	Very low	30.4	Very low	103 Å²	103	137.5 Å²	137.5	85%	0.851	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-99.7	140.7	166.6	0	0	0	0	0	110
21	Q	27.9	Very low	30.1	Very low	190 Å²	190	138.4 Å²	138.4	89%	0.888	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-76.9	148.6	-171.1	-67.9	169.2	-19.6	0	0	112.7
22	S	25.9	Very low	29.9	Very low	111 Å²	111	138 Å²	138	78%	0.776	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-74.7	128.4	173	-176	0	0	0	0	111.4
23	L	29	Very low	29.8	Very low	175 Å²	175	137.7 Å²	137.7	92%	0.916	81%	0.809	S	S	*	*			trans	-134.4	144.1	156	-78	177.4	0	0	0	109.2
24	K	28.7	Very low	29.6	Very low	179 Å²	179	139.3 Å²	139.3	78%	0.778	81%	0.809	S	S	*	*			trans	-81.3	156.2	-166.4	-64.6	176.5	173.5	-175.7	0	113.5
25	E	28.3	Very low	29.3	Very low	166 Å²	166	135.2 Å²	135.2	78%	0.776	80%	0.802	S	S	*	*			trans	27.3	124	144.1	-67.4	168.8	129.6	0	0	119.4
26	D	28.5	Very low	29.1	Very low	167 Å²	167	134.5 Å²	134.5	89%	0.893	80%	0.8	S	S	*	*				-158.9	147.3	121.2	-94.3	-37.5	0	0	0	112.1
27	V	29.8	Very low	29.1	Very low	124 Å²	124	138.4 Å²	138.4	75%	0.752	80%	0.801	S	S	*	*			trans	-84.8	141.4	-174.1	172.9	0	0	0	0	110.9
28	I	29.8	Very low	29.3	Very low	147 Å²	147	137.1 Å²	137.1	75%	0.754	80%	0.795	S	S	*	*				166.6	128.3	125.7	51.1	-163.5	0	0	0	114.8
29	D	29.1	Very low	29.7	Very low	138 Å²	138	136.5 Å²	136.5	74%	0.738	79%	0.79	S	S	*	*			trans	59.9	119.9	138.5	-64	-48.8	0	0	0	125.3
30	E	31.3	Very low	29.9	Very low	174 Å²	174	142.8 Å²	142.8	81%	0.813	80%	0.795	S	S	*	*				45.8	131.5	125.4	-57	-113.4	120.2	0	0	120.4
31	V	29.8	Very low	29.9	Very low	141 Å²	141	149.4 Å²	149.4	86%	0.855	80%	0.798	S	S	*	*				-179	136.9	94.3	-175.9	0	0	0	0	109.4
32	S	28.9	Very low	30	Very low	110 Å²	110	152.3 Å²	152.3	77%	0.769	80%	0.801	S	S	*	*			trans	-79.7	178.8	176.5	-104.9	0	0	0	0	115.5
33	N	29	Very low	30.1	Very low	149 Å²	149	158 Å²	158	80%	0.797	81%	0.805	S	S	*	*			trans	94.7	115.6	162.6	-95.5	14.8	0	0	0	117.6
34	D	28.3	Very low	30.1	Very low	147 Å²	147	158.6 Å²	158.6	79%	0.786	81%	0.806	S	S	*	*				92.8	138.5	57.5	-171.3	37.4	0	0	0	112.6
35	G	27.7	Very low	30.1	Very low	64 Å²	64	154 Å²	154	66%	0.66	81%	0.809	S	S	*	*			trans	135.3	75.3	160.9	0	0	0	0	0	119.8
36	S	29	Very low	30.1	Very low	107 Å²	107	152.6 Å²	152.6	75%	0.748	82%	0.818	S	S	*	*				23.4	121.9	128.5	-56.5	0	0	0	0	124
37	Q	28.1	Very low	30.1	Very low	183 Å²	183	148.2 Å²	148.2	86%	0.855	81%	0.812	S	S	*	*				82.1	155.3	123.7	-73.3	-113.8	-5.8	0	0	124.1
38	P	38.9	Very low	29.9	Very low	103 Å²	103	149.8 Å²	149.8	67%	0.669	82%	0.816	S	S	*	*			trans	-103.6	-150.2	-151.7	45.4	-36.2	0	0	0	112.5
39	P	42	Very low	29.8	Very low	108 Å²	108	147.2 Å²	147.2	70%	0.701	81%	0.811	S	S	*	*			cis	-141.3	-174.1	-0.1	39.8	-17.8	0	0	0	116.4
40	K	29.6	Very low	30	Very low	213 Å²	213	145.6 Å²	145.6	93%	0.926	81%	0.811	S	S	*	*			trans	-172.2	133.1	136.5	-101.1	158.3	-167.4	178.7	0	115
41	R	28.1	Very low	29.9	Very low	241 Å²	241	148.8 Å²	148.8	91%	0.909	82%	0.815	S	S	*	*			trans	-81.2	154.5	173	-77.5	173.7	157.8	-159.6	-4.5	113.1
42	R	30.3	Very low	29.9	Very low	251 Å²	251	147.4 Å²	147.4	95%	0.947	81%	0.812	S	S	*	*			trans	167.5	154.5	139.6	-92.7	170.1	-160.5	-119.9	6.5	107.8
43	R	27.8	Very low	29.7	Very low	231 Å²	231	147.7 Å²	147.7	87%	0.872	81%	0.813	S	S	*	*			cis	-172.5	127.1	-34	-173.5	-177.8	-166.3	-148.9	7.1	104.1
44	M	29.7	Very low	30	Very low	188 Å²	188	148.5 Å²	148.5	93%	0.926	82%	0.817	S	S	*	*			trans	8.8	138.6	160.2	-56.3	-67.1	138.2	0	0	122.3
45	G	28.2	Very low	30	Very low	82 Å²	82	146.9 Å²	146.9	85%	0.845	81%	0.813	S	S	*	*			trans	-174.7	114.4	155.9	0	0	0	0	0	113.1
46	S	29.1	Very low	30.6	Very low	137 Å²	137	154.1 Å²	154.1	96%	0.958	83%	0.826	S	S	*	*			trans	-78.6	158.2	179.1	-55.3	0	0	0	0	113.8
47	G	27.9	Very low	30.6	Very low	75 Å²	75	153.6 Å²	153.6	77%	0.773	82%	0.822	S	S	*	*			trans	145.8	92.8	149.7	0	0	0	0	0	117.9
48	D	25.3	Very low	31.3	Very low	157 Å²	157	153.9 Å²	153.9	84%	0.84	82%	0.824	S	S	*	*			trans	63.7	123.8	132.7	-118.3	-28.4	0	0	0	124.7
49	S	28.8	Very low	31.1	Very low	92 Å²	92	158 Å²	158	64%	0.643	83%	0.834	S	S	*	*			trans	65.4	104.5	138.2	-74.8	0	0	0	0	123.4
50	S	32.4	Very low	30.9	Very low	105 Å²	105	161 Å²	161	73%	0.734	84%	0.843	S	S	*	*				60	103.9	116.9	-44.9	0	0	0	0	120.1
51	R	28.8	Very low	31	Very low	241 Å²	241	154.1 Å²	154.1	91%	0.909	83%	0.833	S	S	*	*				167.3	125	116.3	-91.9	168.6	156.7	-169.7	-7.5	113.6
52	S	30.3	Very low	31.9	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	83%	0.828	S	S	*	*			trans	46.2	109.6	146.9	65.4	0	0	0	0	120.6
53	C	25.4	Very low	33.1	Very low	116 Å²	116	140.7 Å²	140.7	78%	0.784	82%	0.816	S	S	*	*				-170.4	139.8	121.1	54.5	0	0	0	0	110.7	T55	C53-T55 PolarHBondContact O-N 3.44Å
54	D	35.6	Very low	34.8	Very low	166 Å²	166	137.1 Å²	137.1	89%	0.888	80%	0.803	S	S	*	*			trans	-34.2	124.8	174.3	-66.7	-87	0	0	0	114.5
55	T	27.1	Very low	36.9	Very low	113 Å²	113	129.4 Å²	129.4	69%	0.693	77%	0.765	S	S	*	*			trans	-149.7	117.6	152.4	-31.1	0	0	0	0	109.1	C53 S57	C53-T55 PolarHBondContact O-N 3.44Å; T55-S57 PolarHBondContact O-N 3Å
56	F	39.6	Very low	39.4	Very low	215 Å²	215	126.7 Å²	126.7	94%	0.943	73%	0.732	S	S	*	*			trans	-37.4	106.5	159.8	-161.1	-98.2	0	0	0	109.6
57	S	30.8	Very low	41.8	Very low	96 Å²	96	120.4 Å²	120.4	67%	0.671	69%	0.689	S	S	*	*			trans	-140.9	86.2	178.4	-77.5	0	0	0	0	109.2	T55 E59	T55-S57 PolarHBondContact O-N 3Å; S57-E59 PolarHBondContact O-N 3.09Å; S57-E59 VanDerWaalsContact O-N 3.09Å
58	Q	42.3	Very low	44.3	Very low	190 Å²	190	122.4 Å²	122.4	89%	0.888	68%	0.678	S	S	*	*			trans	12.4	86.1	131.1	-158.9	161.2	28.3	0	0	115.1
59	E	33.5	Very low	47.1	Very low	190 Å²	190	118.3 Å²	118.3	89%	0.888	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-92.2	125.2	163.9	-121.9	179.3	177.8	0	0	108.9	S57	S57-E59 PolarHBondContact O-N 3.09Å; S57-E59 VanDerWaalsContact O-N 3.09Å
60	L	37.7	Very low	49.8	Very low	170 Å²	170	114 Å²	114	89%	0.89	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-53.1	133.2	-174.3	-72.5	133.5	0	0	0	111.8	A62	L60-A62 PolarHBondContact O-N 3.31Å
61	G	32.5	Very low	52.3	Low	69 Å²	69	110.6 Å²	110.6	71%	0.711	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-52.2	125.5	-173.4	0	0	0	0	0	113.3	T63	G61-T63 VanDerWaalsContact C-N 3.33Å; G61-T63 PolarHBondContact O-N 3.43Å
62	A	47	Very low	55.2	Low	98 Å²	98	102 Å²	102	81%	0.81	57%	0.571	S	S	*	*			trans	-57.9	106.3	150.2	0	0	0	0	0	106	L60 Y64	L60-A62 PolarHBondContact O-N 3.31Å; A62-Y64 VanDerWaalsContact C-N 3.35Å; A62-Y64 PolarHBondContact O-N 3.47Å
63	T	56.5	Low	58	Low	111 Å²	111	97.3 Å²	97.3	68%	0.681	54%	0.536	S	S	*	.			trans	-55.7	104.3	169	42.6	0	0	0	0	106.4	G61 F65	G61-T63 VanDerWaalsContact C-N 3.33Å; G61-T63 PolarHBondContact O-N 3.43Å; T63-F65 PolarHBondContact O-N 3Å
64	Y	62.7	Low	61	Low	156 Å²	156	93.9 Å²	93.9	61%	0.612	51%	0.508	S	S	*	.			trans	-58.6	109.4	177.1	173.5	-98.9	0	0	0	107.4	A62 P66	A62-Y64 VanDerWaalsContact C-N 3.35Å; A62-Y64 PolarHBondContact O-N 3.47Å; Y64-P66 HydrophobicContact CD1-CB 4.46Å; Y64-P66 HydrophobicContact CE1-CB 3.94Å; Y64-P66 VanDerWaalsContact O-CD 3.31Å; Y64-P66 WeakPolarHBondContact O-CD 3.31Å
65	F	74.1	Confident	63.5	Low	26 Å²	26	88.2 Å²	88.2	11%	0.114	47%	0.474	C	S	.	.			trans	-87.3	110.7	174.3	-169.7	-90	0	0	0	107.7	T63 N69 Q89 E92 Y93	T63-F65 PolarHBondContact O-N 3Å; F65-N69 HydrophobicContact CD1-CB 4.11Å; F65-N69 HydrophobicContact CD2-CB 4.49Å; F65-N69 HydrophobicContact CE1-CB 3.37Å; F65-N69 HydrophobicContact CE2-CB 3.82Å; F65-N69 HydrophobicContact CZ-CB 3.21Å; F65-Q89 HydrophobicContact CZ-CB 4.23Å; F65-Q89 HydrophobicContact CZ-CG 4.26Å; F65-E92 HydrophobicContact CB-CG 3.97Å; F65-E92 HydrophobicContact CD2-CB 4.23Å; F65-E92 HydrophobicContact CD2-CG 3.73Å; F65-E92 WeakPolarHBondContact CD2-OE1 3.5Å; F65-E92 HydrophobicContact CE2-CG 4.42Å; F65-E92 HydrophobicContact CG-CB 4.31Å; F65-E92 HydrophobicContact CG-CG 3.99Å; F65-Y93 HydrophobicContact CD1-CD2 4.16Å; F65-Y93 HydrophobicContact CD1-CG 4.46Å; F65-Y93 WeakPolarHBondContact O-CD2 3.49Å
66	P	79.1	Confident	66.3	Low	25 Å²	25	85.5 Å²	85.5	16%	0.162	46%	0.458	C	S	.	.			trans	-70.7	148	-177.1	29.8	-35.5	0	0	0	110.8	Y64 E68 N69	Y64-P66 HydrophobicContact CD1-CB 4.46Å; Y64-P66 HydrophobicContact CE1-CB 3.94Å; Y64-P66 VanDerWaalsContact O-CD 3.31Å; Y64-P66 WeakPolarHBondContact O-CD 3.31Å; P66-E68 HydrophobicContact CB-CG 3.84Å; P66-E68 HydrophobicContact CG-CG 3.78Å; P66-E68 WeakPolarHBondContact CG-OE1 3.5Å; P66-E68 PolarHBondContact O-N 2.88Å; P66-E68 VanDerWaalsContact O-N 3.08Å; P66-N69 WeakPolarHBondContact CD-ND2 3.26Å; P66-N69 WeakPolarHBondContact CG-ND2 3.35Å; P66-N69 PolarHBondContact O-N 3.5Å
67	A	81.3	Confident	68.2	Low	6 Å²	6	78.6 Å²	78.6	5%	0.05	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-58.7	-23.2	179	0	0	0	0	0	113	N69 L70 Y93 E156 I160	A67-N69 PolarHBondContact O-N 3.18Å; A67-L70 PolarHBondContact O-N 3.11Å; A67-Y93 HydrophobicContact CB-CE2 3.61Å; A67-E156 HydrophobicContact CB-CB 4.37Å; A67-I160 HydrophobicContact CB-CG1 3.84Å
68	E	80.1	Confident	70.7	Confident	117 Å²	117	79.2 Å²	79.2	55%	0.547	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-64	-20.5	176	75.3	-166.8	158.3	0	0	114	P66 I160 R164	P66-E68 HydrophobicContact CB-CG 3.84Å; P66-E68 HydrophobicContact CG-CG 3.78Å; P66-E68 WeakPolarHBondContact CG-OE1 3.5Å; P66-E68 PolarHBondContact O-N 2.88Å; P66-E68 VanDerWaalsContact O-N 3.08Å; E68-I160 HydrophobicContact CB-CD1 4.35Å; E68-R164 PolarHBondContact O-NH2 2.85Å
69	N	83.4	Confident	72.2	Confident	71 Å²	71	78 Å²	78	38%	0.38	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-90.1	-10.4	179.4	-69.4	-16.1	0	0	0	112.7	F65 P66 A67 T71 Q89	F65-N69 HydrophobicContact CD1-CB 4.11Å; F65-N69 HydrophobicContact CD2-CB 4.49Å; F65-N69 HydrophobicContact CE1-CB 3.37Å; F65-N69 HydrophobicContact CE2-CB 3.82Å; F65-N69 HydrophobicContact CZ-CB 3.21Å; P66-N69 WeakPolarHBondContact CD-ND2 3.26Å; P66-N69 WeakPolarHBondContact CG-ND2 3.35Å; P66-N69 PolarHBondContact O-N 3.5Å; A67-N69 PolarHBondContact O-N 3.18Å; N69-T71 PolarHBondContact O-N 2.95Å; N69-T71 PolarHBondContact O-OG1 3.47Å; N69-Q89 PolarHBondContact O-OE1 3.15Å
70	L	86.1	Confident	74.5	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	42%	0.423	C	S	.	.			trans	-76	115.1	174.2	-171.3	61.7	0	0	0	108.8	A67 M85 Q89 V90 Y93 M146 Y157 R164	A67-L70 PolarHBondContact O-N 3.11Å; L70-M85 HydrophobicContact CD1-SD 4.31Å; L70-M85 HydrophobicContact CD2-SD 4.03Å; L70-M85 HydrophobicContact CG-SD 4.11Å; L70-Q89 HydrophobicContact CD1-CB 3.88Å; L70-V90 HydrophobicContact CD1-CB 4.49Å; L70-V90 HydrophobicContact CD1-CG2 3.69Å; L70-Y93 HydrophobicContact CD2-CD1 4.1Å; L70-M146 HydrophobicContact CD2-CE 4.42Å; L70-M146 HydrophobicContact CD2-SD 4.41Å; L70-Y157 HydrophobicContact CB-CD2 4.16Å; L70-Y157 HydrophobicContact CB-CE2 3.8Å; L70-Y157 HydrophobicContact CD2-CD2 3.8Å; L70-Y157 HydrophobicContact CD2-CE1 4.41Å; L70-Y157 HydrophobicContact CD2-CE2 3.63Å; L70-Y157 HydrophobicContact CD2-CG 4.29Å; L70-Y157 HydrophobicContact CG-CD2 4.37Å; L70-Y157 HydrophobicContact CG-CE2 3.85Å; L70-R164 PolarHBondContact O-NH1 2.88Å; L70-R164 PolarHBondContact O-NH2 3.1Å
71	T	85.2	Confident	76.6	Confident	34 Å²	34	67.1 Å²	67.1	21%	0.209	39%	0.386	C	S	.	.			trans	-112	123.9	-172.1	-49.9	0	0	0	0	110.8	N69 Q89 V124	N69-T71 PolarHBondContact O-N 2.95Å; N69-T71 PolarHBondContact O-OG1 3.47Å; T71-Q89 VanDerWaalsContact N-OE1 3.1Å; T71-V124 HydrophobicContact CG2-CG1 3.96Å; T71-V124 HydrophobicContact CG2-CG2 3.85Å
72	E	90	Very high	79.2	Confident	61 Å²	61	68 Å²	68	29%	0.285	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131.9	168.9	174.3	166.9	-127.7	0	0	109	Y83 M85 S139	E72-Y83 HydrophobicContact CG-CD1 3.61Å; E72-Y83 HydrophobicContact CG-CG 4.1Å; E72-Y83 WeakPolarHBondContact OE1-CB 3.43Å; E72-M85 HydrophobicContact CB-CE 4.33Å; E72-S139 WeakPolarHBondContact CG-OG 3.17Å; E72-S139 WeakPolarHBondContact OE1-CB 3.43Å; E72-S139 PolarHBondContact OE1-OG 3.02Å
73	Y	88.3	Confident	81.3	Confident	13 Å²	13	68.9 Å²	68.9	5%	0.051	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.3	178.9	70	-87.2	0	0	0	110.5	W75 Y83 Y84 L86 L111 E115 L119 A136	Y73-W75 HydrophobicContact CD2-CB 4.23Å; Y73-W75 HydrophobicContact CE2-CB 3.93Å; Y73-Y83 WeakPolarHBondContact O-CA 3.44Å; Y73-Y84 WeakPolarHBondContact CD1-O 3.48Å; Y73-Y84 WeakPolarHBondContact CE1-O 3.47Å; Y73-Y84 PolarHBondContact N-O 3.14Å; Y73-Y84 PolarHBondContact O-N 3.39Å; Y73-L86 HydrophobicContact CE1-CD2 4.04Å; Y73-L86 HydrophobicContact CE1-CG 4.22Å; Y73-L111 WeakPolarHBondContact OH-CD2 3.34Å; Y73-E115 HydrophobicContact CE2-CG 4.27Å; Y73-E115 VanDerWaalsContact CE2-OE1 3.24Å; Y73-E115 WeakPolarHBondContact CE2-OE1 3.46Å; Y73-E115 PolarHBondContact OH-OE1 3.03Å; Y73-L119 HydrophobicContact CD1-CD2 3.78Å; Y73-L119 HydrophobicContact CD2-CD2 3.69Å; Y73-L119 HydrophobicContact CD2-CG 4.44Å; Y73-L119 HydrophobicContact CE1-CD1 4.13Å; Y73-L119 HydrophobicContact CE1-CD2 4.16Å; Y73-L119 HydrophobicContact CE2-CD1 4.06Å; Y73-L119 HydrophobicContact CE2-CD2 4.07Å; Y73-L119 HydrophobicContact CE2-CG 4.4Å; Y73-L119 HydrophobicContact CG-CD2 3.53Å; Y73-A136 WeakPolarHBondContact OH-CB 3.43Å
74	K	88.7	Confident	83	Confident	45 Å²	45	65 Å²	65	20%	0.196	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.5	179.6	-165.7	-176.2	-174.2	-169	0	110.4	D78 D79 G81 E82 Y83	K74-D78 WeakPolarHBondContact CE-O 3.23Å; K74-D78 PolarHBondContact NZ-O 3.27Å; K74-D79 VanDerWaalsContact NZ-CA 3.29Å; K74-D79 PolarHBondContact NZ-O 3.45Å; K74-D79 VanDerWaalsContact NZ-O 3.15Å; K74-D79 IonicContact NZ-OD1 2.77Å; K74-G81 WeakPolarHBondContact CE-O 3.31Å; K74-E82 CarbonylContact C-O 3.58Å; K74-E82 WeakPolarHBondContact CA-O 3.39Å; K74-Y83 HydrophobicContact CB-CD1 4.08Å; K74-Y83 HydrophobicContact CB-CE1 3.95Å; K74-Y83 HydrophobicContact CG-CE1 4.37Å
75	W	87.8	Confident	84.3	Confident	47 Å²	47	57.6 Å²	57.6	18%	0.178	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	132.6	175.2	-174	-99.5	0	0	0	112.4	Y73 P77 E82 Y84 K114 E115 Y118	Y73-W75 HydrophobicContact CD2-CB 4.23Å; Y73-W75 HydrophobicContact CE2-CB 3.93Å; W75-P77 HydrophobicContact CE3-CG 4.13Å; W75-P77 HydrophobicContact CZ3-CG 3.99Å; W75-E82 PolarHBondContact N-O 2.99Å; W75-E82 PolarHBondContact O-N 3.39Å; W75-E82 VanDerWaalsContact O-N 3.14Å; W75-Y84 HydrophobicContact CB-CD2 4.19Å; W75-K114 HydrophobicContact CH2-CB 4.15Å; W75-E115 HydrophobicContact CD2-CB 4.03Å; W75-E115 HydrophobicContact CD2-CG 3.69Å; W75-E115 HydrophobicContact CE3-CB 4.19Å; W75-E115 HydrophobicContact CE3-CG 3.91Å; W75-E115 HydrophobicContact CG-CG 4.08Å; W75-E115 HydrophobicContact CH2-CB 3.88Å; W75-E115 HydrophobicContact CH2-CG 4.49Å; W75-E115 HydrophobicContact CZ2-CB 3.69Å; W75-E115 HydrophobicContact CZ2-CG 4.31Å; W75-E115 HydrophobicContact CZ3-CB 4.12Å; W75-E115 HydrophobicContact CZ3-CG 4.3Å; W75-Y118 HydrophobicContact CE3-CD1 4.19Å; W75-Y118 HydrophobicContact CE3-CG 4.45Å; W75-Y118 HydrophobicContact CZ3-CD1 4.28Å; W75-Y118 HydrophobicContact CZ3-CG 4.07Å
76	P	86.1	Confident	85.1	Confident	56 Å²	56	56.6 Å²	56.6	36%	0.364	30%	0.295	S	S	.	.	S	Bend	cis	-59.4	164.2	-10	-24	35.9	0	0	0	113.6	D78 G81	P76-D78 PolarHBondContact O-N 2.72Å; P76-D78 VanDerWaalsContact O-N 3.1Å; P76-G81 VanDerWaalsContact O-CA 3.29Å; P76-G81 WeakPolarHBondContact O-CA 3.4Å
77	P	79.6	Confident	85.6	Confident	69 Å²	69	56.8 Å²	56.8	45%	0.448	29%	0.294	S	S	.	.	S	Bend	trans	-65.7	-12.4	-176.8	-21.4	33.9	0	0	0	115	W75 Y118	W75-P77 HydrophobicContact CE3-CG 4.13Å; W75-P77 HydrophobicContact CZ3-CG 3.99Å; P77-Y118 HydrophobicContact CB-CE2 4.39Å; P77-Y118 HydrophobicContact CG-CD2 4.26Å; P77-Y118 HydrophobicContact CG-CE2 4.06Å
78	D	83.3	Confident	86	Confident	109 Å²	109	59.2 Å²	59.2	58%	0.583	30%	0.304	S	S	*	.	S	Bend	trans	-72.5	173	-178.8	-57.4	-43.2	0	0	0	112.4	K74 P76 T80 G81	K74-D78 WeakPolarHBondContact CE-O 3.23Å; K74-D78 PolarHBondContact NZ-O 3.27Å; P76-D78 PolarHBondContact O-N 2.72Å; P76-D78 VanDerWaalsContact O-N 3.1Å; D78-T80 PolarHBondContact O-N 3.28Å; D78-G81 PolarHBondContact O-N 3.19Å; D78-G81 VanDerWaalsContact O-N 3.07Å
79	D	73.1	Confident	86.4	Confident	164 Å²	164	54.9 Å²	54.9	88%	0.877	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.7	178.4	-87.9	-21	0	0	0	114	K74	K74-D79 VanDerWaalsContact NZ-CA 3.29Å; K74-D79 PolarHBondContact NZ-O 3.45Å; K74-D79 VanDerWaalsContact NZ-O 3.15Å; K74-D79 IonicContact NZ-OD1 2.77Å
80	T	81.6	Confident	86.7	Confident	121 Å²	121	51.5 Å²	51.5	74%	0.742	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.6	178.1	56.9	0	0	0	0	114.8	D78	D78-T80 PolarHBondContact O-N 3.28Å
81	G	82.2	Confident	86.8	Confident	11 Å²	11	52.9 Å²	52.9	11%	0.113	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-70.5	148.6	-178.9	0	0	0	0	0	114.3	K74 P76 D78	K74-G81 WeakPolarHBondContact CE-O 3.31Å; P76-G81 VanDerWaalsContact O-CA 3.29Å; P76-G81 WeakPolarHBondContact O-CA 3.4Å; D78-G81 PolarHBondContact O-N 3.19Å; D78-G81 VanDerWaalsContact O-N 3.07Å
82	E	88	Confident	87	Confident	89 Å²	89	56 Å²	56	42%	0.416	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	164.6	170.4	-65	-174.7	120.3	0	0	110.5	K74 W75 Y84 R138	K74-E82 CarbonylContact C-O 3.58Å; K74-E82 WeakPolarHBondContact CA-O 3.39Å; W75-E82 PolarHBondContact N-O 2.99Å; W75-E82 PolarHBondContact O-N 3.39Å; W75-E82 VanDerWaalsContact O-N 3.14Å; E82-Y84 HydrophobicContact CB-CD2 4.48Å; E82-Y84 HydrophobicContact CB-CE2 3.71Å; E82-Y84 WeakPolarHBondContact O-CD2 3.38Å; E82-Y84 PolarHBondContact OE2-OH 3.18Å; E82-R138 IonicContact OE1-NE 3.38Å; E82-R138 IonicContact OE1-NH2 3.63Å; E82-R138 IonicContact OE2-NE 2.72Å
83	Y	90.1	Very high	86.9	Confident	116 Å²	116	53.3 Å²	53.3	46%	0.455	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.3	177.5	-68.3	-82.8	0	0	0	111.6	E72 Y73 K74 S139	E72-Y83 HydrophobicContact CG-CD1 3.61Å; E72-Y83 HydrophobicContact CG-CG 4.1Å; E72-Y83 WeakPolarHBondContact OE1-CB 3.43Å; Y73-Y83 WeakPolarHBondContact O-CA 3.44Å; K74-Y83 HydrophobicContact CB-CD1 4.08Å; K74-Y83 HydrophobicContact CB-CE1 3.95Å; K74-Y83 HydrophobicContact CG-CE1 4.37Å; Y83-S139 VanDerWaalsContact C-OG 3.25Å; Y83-S139 WeakPolarHBondContact CB-OG 3.47Å; Y83-S139 PolarHBondContact O-N 2.8Å; Y83-S139 PolarHBondContact O-OG 2.65Å
84	Y	91.6	Very high	86.9	Confident	29 Å²	29	53.4 Å²	53.4	11%	0.114	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.3	-179	-67	-91.1	0	0	0	111.1	Y73 W75 E82 A136 L137 R138 S139	Y73-Y84 WeakPolarHBondContact CD1-O 3.48Å; Y73-Y84 WeakPolarHBondContact CE1-O 3.47Å; Y73-Y84 PolarHBondContact N-O 3.14Å; Y73-Y84 PolarHBondContact O-N 3.39Å; W75-Y84 HydrophobicContact CB-CD2 4.19Å; E82-Y84 HydrophobicContact CB-CD2 4.48Å; E82-Y84 HydrophobicContact CB-CE2 3.71Å; E82-Y84 WeakPolarHBondContact O-CD2 3.38Å; E82-Y84 PolarHBondContact OE2-OH 3.18Å; Y84-A136 HydrophobicContact CD1-CB 4.1Å; Y84-A136 HydrophobicContact CG-CB 4.49Å; Y84-L137 CarbonylContact C-O 2.91Å; Y84-L137 WeakPolarHBondContact CA-O 3.39Å; Y84-L137 WeakPolarHBondContact CD1-O 3.5Å; Y84-R138 HydrophobicContact CD1-CG 4.2Å; Y84-R138 HydrophobicContact CE1-CG 3.63Å; Y84-S139 PolarHBondContact N-OG 3.03Å
85	M	91.8	Very high	86.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.3	171.1	-60.4	-172.6	-168.8	0	0	110.3	L70 E72 V90 A136 L137 V142 I143 Y157	L70-M85 HydrophobicContact CD1-SD 4.31Å; L70-M85 HydrophobicContact CD2-SD 4.03Å; L70-M85 HydrophobicContact CG-SD 4.11Å; E72-M85 HydrophobicContact CB-CE 4.33Å; M85-V90 HydrophobicContact CB-CG2 3.97Å; M85-V90 HydrophobicContact SD-CG2 4.46Å; M85-A136 WeakPolarHBondContact O-CA 3.33Å; M85-L137 PolarHBondContact N-O 3.01Å; M85-L137 PolarHBondContact O-N 3.48Å; M85-V142 HydrophobicContact SD-CB 4.21Å; M85-V142 HydrophobicContact SD-CG1 3.92Å; M85-I143 HydrophobicContact CE-CD1 4.19Å; M85-I143 HydrophobicContact CE-CG1 4.13Å; M85-Y157 HydrophobicContact CE-CE1 3.89Å; M85-Y157 WeakPolarHBondContact CE-OH 3.36Å
86	L	90.8	Very high	86.7	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	126.1	176.7	-63.7	176.8	0	0	0	110.6	Y73 E88 Q89 V90 L111 L119 V124 I125	Y73-L86 HydrophobicContact CE1-CD2 4.04Å; Y73-L86 HydrophobicContact CE1-CG 4.22Å; L86-E88 PolarHBondContact O-N 2.87Å; L86-Q89 HydrophobicContact CB-CB 4.3Å; L86-Q89 HydrophobicContact CB-CG 4.05Å; L86-Q89 HydrophobicContact CD1-CG 4.4Å; L86-Q89 PolarHBondContact O-N 3.25Å; L86-Q89 VanDerWaalsContact O-N 3.16Å; L86-V90 WeakPolarHBondContact O-CG2 3.2Å; L86-V90 PolarHBondContact O-N 3.24Å; L86-L111 HydrophobicContact CD2-CD1 3.69Å; L86-L111 HydrophobicContact CD2-CD2 4.16Å; L86-L111 HydrophobicContact CD2-CG 4.39Å; L86-L119 HydrophobicContact CD2-CD1 4.17Å; L86-V124 HydrophobicContact CD1-CG1 4.1Å; L86-I125 HydrophobicContact CD1-CD1 3.65Å; L86-I125 HydrophobicContact CD1-CG1 3.59Å; L86-I125 HydrophobicContact CD2-CD1 4.22Å
87	Q	89.4	Confident	86.4	Confident	30 Å²	30	57 Å²	57	14%	0.14	32%	0.319	C	S	.	.	H	α-helix	trans	-56.2	-38.1	179.3	-174.7	-172.6	-97.2	0	0	111.3	V90 S91 F99 R108 T135 L137	Q87-V90 PolarHBondContact O-N 3.46Å; Q87-S91 VanDerWaalsContact O-CB 3.23Å; Q87-S91 WeakPolarHBondContact O-CB 3.29Å; Q87-S91 PolarHBondContact O-N 3.08Å; Q87-S91 PolarHBondContact O-OG 3.45Å; Q87-F99 HydrophobicContact CG-CB 4.24Å; Q87-F99 HydrophobicContact CG-CD1 3.74Å; Q87-F99 HydrophobicContact CG-CE1 4.33Å; Q87-F99 HydrophobicContact CG-CG 4.04Å; Q87-R108 VanDerWaalsContact OE1-CD 3.26Å; Q87-T135 WeakPolarHBondContact CB-O 3.31Å; Q87-T135 WeakPolarHBondContact CB-OG1 3.45Å; Q87-T135 PolarHBondContact N-O 2.93Å; Q87-T135 PolarHBondContact NE2-OG1 2.72Å; Q87-T135 VanDerWaalsContact NE2-OG1 3.08Å; Q87-L137 HydrophobicContact CB-CD1 4Å; Q87-L137 HydrophobicContact CB-CD2 4.45Å; Q87-L137 HydrophobicContact CB-CG 3.99Å; Q87-L137 HydrophobicContact CG-CD1 4.03Å; Q87-L137 HydrophobicContact CG-CD2 4.49Å; Q87-L137 HydrophobicContact CG-CG 4.35Å
88	E	88.3	Confident	86.6	Confident	57 Å²	57	55.1 Å²	55.1	27%	0.266	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-46.2	-178.4	-65.5	71.6	-156.1	0	0	110.6	L86 S91 E92 L134 T135	L86-E88 PolarHBondContact O-N 2.87Å; E88-S91 PolarHBondContact O-N 3.21Å; E88-S91 PolarHBondContact O-OG 3.49Å; E88-E92 WeakPolarHBondContact O-CB 3.31Å; E88-E92 PolarHBondContact O-N 2.98Å; E88-L134 HydrophobicContact CG-CD2 3.88Å; E88-T135 PolarHBondContact OE1-N 3.3Å; E88-T135 PolarHBondContact OE1-OG1 3.44Å; E88-T135 PolarHBondContact OE2-N 3.26Å
89	Q	89.6	Confident	86.7	Confident	25 Å²	25	50.2 Å²	50.2	12%	0.117	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-43.8	175.8	-66.4	-178.2	-13.4	0	0	111.5	F65 N69 L70 T71 L86 S91 E92 Y93	F65-Q89 HydrophobicContact CZ-CB 4.23Å; F65-Q89 HydrophobicContact CZ-CG 4.26Å; N69-Q89 PolarHBondContact O-OE1 3.15Å; L70-Q89 HydrophobicContact CD1-CB 3.88Å; T71-Q89 VanDerWaalsContact N-OE1 3.1Å; L86-Q89 HydrophobicContact CB-CB 4.3Å; L86-Q89 HydrophobicContact CB-CG 4.05Å; L86-Q89 HydrophobicContact CD1-CG 4.4Å; L86-Q89 PolarHBondContact O-N 3.25Å; L86-Q89 VanDerWaalsContact O-N 3.16Å; Q89-S91 VanDerWaalsContact C-N 3.34Å; Q89-S91 PolarHBondContact O-N 3.09Å; Q89-E92 PolarHBondContact O-N 2.84Å; Q89-Y93 VanDerWaalsContact O-CB 3.31Å; Q89-Y93 WeakPolarHBondContact O-CB 3.22Å; Q89-Y93 PolarHBondContact O-N 3.48Å
90	V	88.7	Confident	87.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-43.3	176.9	176.2	0	0	0	0	110.9	L70 M85 L86 Q87 E92 Y93 L94 F99 L137 V142	L70-V90 HydrophobicContact CD1-CB 4.49Å; L70-V90 HydrophobicContact CD1-CG2 3.69Å; M85-V90 HydrophobicContact CB-CG2 3.97Å; M85-V90 HydrophobicContact SD-CG2 4.46Å; L86-V90 WeakPolarHBondContact O-CG2 3.2Å; L86-V90 PolarHBondContact O-N 3.24Å; Q87-V90 PolarHBondContact O-N 3.46Å; V90-E92 VanDerWaalsContact C-N 3.33Å; V90-E92 PolarHBondContact O-N 2.88Å; V90-Y93 PolarHBondContact O-N 3.47Å; V90-L94 HydrophobicContact CG1-CD1 3.79Å; V90-L94 HydrophobicContact CG1-CG 4.35Å; V90-L94 WeakPolarHBondContact O-CB 3.37Å; V90-L94 WeakPolarHBondContact O-CG 3.35Å; V90-L94 PolarHBondContact O-N 3.32Å; V90-F99 HydrophobicContact CG1-CE2 3.75Å; V90-F99 HydrophobicContact CG1-CZ 4.06Å; V90-L137 HydrophobicContact CB-CD1 4.41Å; V90-L137 HydrophobicContact CG1-CD1 4.44Å; V90-L137 HydrophobicContact CG2-CD1 4.4Å; V90-V142 HydrophobicContact CG1-CG1 3.79Å; V90-V142 HydrophobicContact CG2-CG1 3.82Å; V90-V142 HydrophobicContact CG2-CG2 4.36Å
91	S	89.4	Confident	87.1	Confident	30 Å²	30	53.7 Å²	53.7	21%	0.21	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-37.5	-179.3	74.9	0	0	0	0	112.1	Q87 E88 Q89 G95 V96	Q87-S91 VanDerWaalsContact O-CB 3.23Å; Q87-S91 WeakPolarHBondContact O-CB 3.29Å; Q87-S91 PolarHBondContact O-N 3.08Å; Q87-S91 PolarHBondContact O-OG 3.45Å; E88-S91 PolarHBondContact O-N 3.21Å; E88-S91 PolarHBondContact O-OG 3.49Å; Q89-S91 VanDerWaalsContact C-N 3.34Å; Q89-S91 PolarHBondContact O-N 3.09Å; S91-G95 CarbonylContact O-C 3.47Å; S91-G95 PolarHBondContact O-N 2.75Å; S91-G95 VanDerWaalsContact O-N 3.09Å; S91-V96 PolarHBondContact O-N 3.15Å
92	E	88.6	Confident	87.2	Confident	98 Å²	98	58.3 Å²	58.3	46%	0.458	29%	0.289	S	S	.	.	H	α-helix	trans	-72.2	-44.2	177.7	-163.9	175.2	175.2	0	0	111.1	F65 E88 Q89 V90 L94 G95	F65-E92 HydrophobicContact CB-CG 3.97Å; F65-E92 HydrophobicContact CD2-CB 4.23Å; F65-E92 HydrophobicContact CD2-CG 3.73Å; F65-E92 WeakPolarHBondContact CD2-OE1 3.5Å; F65-E92 HydrophobicContact CE2-CG 4.42Å; F65-E92 HydrophobicContact CG-CB 4.31Å; F65-E92 HydrophobicContact CG-CG 3.99Å; E88-E92 WeakPolarHBondContact O-CB 3.31Å; E88-E92 PolarHBondContact O-N 2.98Å; Q89-E92 PolarHBondContact O-N 2.84Å; V90-E92 VanDerWaalsContact C-N 3.33Å; V90-E92 PolarHBondContact O-N 2.88Å; E92-L94 PolarHBondContact O-N 2.78Å; E92-G95 PolarHBondContact O-N 2.9Å
93	Y	88.7	Confident	87.1	Confident	5 Å²	5	55 Å²	55	2%	0.02	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-43.4	177.4	-179.8	-118.2	0	0	0	113.3	F65 A67 L70 Q89 V90 G95 M146 K153 E156	F65-Y93 HydrophobicContact CD1-CD2 4.16Å; F65-Y93 HydrophobicContact CD1-CG 4.46Å; F65-Y93 WeakPolarHBondContact O-CD2 3.49Å; A67-Y93 HydrophobicContact CB-CE2 3.61Å; L70-Y93 HydrophobicContact CD2-CD1 4.1Å; Q89-Y93 VanDerWaalsContact O-CB 3.31Å; Q89-Y93 WeakPolarHBondContact O-CB 3.22Å; Q89-Y93 PolarHBondContact O-N 3.48Å; V90-Y93 PolarHBondContact O-N 3.47Å; Y93-G95 VanDerWaalsContact C-N 3.3Å; Y93-M146 HydrophobicContact CD1-SD 4.32Å; Y93-M146 HydrophobicContact CE1-SD 4.02Å; Y93-K153 HydrophobicContact CE1-CB 3.89Å; Y93-K153 HydrophobicContact CE1-CD 4.22Å; Y93-K153 HydrophobicContact CE2-CD 4.06Å; Y93-K153 PolarHBondContact OH-O 3.37Å; Y93-E156 WeakPolarHBondContact OH-CB 3.35Å
94	L	87.6	Confident	86.7	Confident	15 Å²	15	53.2 Å²	53.2	8%	0.079	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-7.3	178.9	-61	-179.7	0	0	0	113	V90 E92 V96 F99 L145 M146 Y150 K153	V90-L94 HydrophobicContact CG1-CD1 3.79Å; V90-L94 HydrophobicContact CG1-CG 4.35Å; V90-L94 WeakPolarHBondContact O-CB 3.37Å; V90-L94 WeakPolarHBondContact O-CG 3.35Å; V90-L94 PolarHBondContact O-N 3.32Å; E92-L94 PolarHBondContact O-N 2.78Å; L94-V96 VanDerWaalsContact C-N 3.3Å; L94-V96 HydrophobicContact CB-CG2 3.88Å; L94-V96 PolarHBondContact O-N 3.3Å; L94-F99 HydrophobicContact CD1-CE2 4.44Å; L94-L145 HydrophobicContact CD1-CD2 3.76Å; L94-M146 HydrophobicContact CD1-CG 4.49Å; L94-M146 HydrophobicContact CD2-CG 4.07Å; L94-M146 HydrophobicContact CD2-SD 4.36Å; L94-Y150 HydrophobicContact CD1-CD2 4.32Å; L94-Y150 HydrophobicContact CD1-CE2 4.19Å; L94-Y150 HydrophobicContact CD2-CD1 4.45Å; L94-Y150 HydrophobicContact CD2-CD2 4.03Å; L94-Y150 HydrophobicContact CD2-CG 4Å; L94-K153 HydrophobicContact CD2-CB 4.25Å; L94-K153 HydrophobicContact CD2-CG 4.49Å
95	G	84.6	Confident	86.2	Confident	61 Å²	61	59.2 Å²	59.2	63%	0.629	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	29.1	-176.4	0	0	0	0	0	113.7	S91 E92 Y93	S91-G95 CarbonylContact O-C 3.47Å; S91-G95 PolarHBondContact O-N 2.75Å; S91-G95 VanDerWaalsContact O-N 3.09Å; E92-G95 PolarHBondContact O-N 2.9Å; Y93-G95 VanDerWaalsContact C-N 3.3Å
96	V	87.3	Confident	85.9	Confident	13 Å²	13	60.3 Å²	60.3	8%	0.079	32%	0.315	C	S	.	.			trans	-97	105.1	-177.2	-179.5	0	0	0	0	110.2	S91 L94 S98 F99 K102	S91-V96 PolarHBondContact O-N 3.15Å; L94-V96 VanDerWaalsContact C-N 3.3Å; L94-V96 HydrophobicContact CB-CG2 3.88Å; L94-V96 PolarHBondContact O-N 3.3Å; V96-S98 VanDerWaalsContact C-N 3.26Å; V96-S98 PolarHBondContact O-N 3Å; V96-F99 HydrophobicContact CB-CD2 4.38Å; V96-F99 HydrophobicContact CG1-CD2 4.26Å; V96-K102 HydrophobicContact CG1-CB 4.19Å; V96-K102 HydrophobicContact CG1-CD 3.88Å; V96-K102 HydrophobicContact CG2-CD 4.22Å
97	T	81.1	Confident	85.5	Confident	151 Å²	151	66.1 Å²	66.1	93%	0.926	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.5	-177.8	58.1	0	0	0	0	114.7
98	S	83.2	Confident	85.4	Confident	29 Å²	29	68.1 Å²	68.1	20%	0.203	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.4	77.1	-179.1	-164.7	0	0	0	0	111.7	V96 K100 R101 K102	V96-S98 VanDerWaalsContact C-N 3.26Å; V96-S98 PolarHBondContact O-N 3Å; S98-K100 VanDerWaalsContact C-N 3.27Å; S98-K100 PolarHBondContact O-N 2.91Å; S98-R101 PolarHBondContact O-N 3.38Å; S98-R101 VanDerWaalsContact O-N 3.14Å; S98-R101 PolarHBondContact OG-NE 3.34Å; S98-R101 PolarHBondContact OG-NH2 3.06Å; S98-K102 PolarHBondContact O-N 3.03Å
99	F	85	Confident	85.4	Confident	6 Å²	6	68.8 Å²	68.8	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-57	-38.8	-176.6	-158.2	-93.5	0	0	0	112.9	Q87 V90 L94 V96 R101 K102 Y103 M106 R108 L137	Q87-F99 HydrophobicContact CG-CB 4.24Å; Q87-F99 HydrophobicContact CG-CD1 3.74Å; Q87-F99 HydrophobicContact CG-CE1 4.33Å; Q87-F99 HydrophobicContact CG-CG 4.04Å; V90-F99 HydrophobicContact CG1-CE2 3.75Å; V90-F99 HydrophobicContact CG1-CZ 4.06Å; L94-F99 HydrophobicContact CD1-CE2 4.44Å; V96-F99 HydrophobicContact CB-CD2 4.38Å; V96-F99 HydrophobicContact CG1-CD2 4.26Å; F99-R101 PolarHBondContact O-N 2.99Å; F99-K102 PolarHBondContact O-N 3.2Å; F99-Y103 HydrophobicContact CD1-CD2 4.43Å; F99-Y103 HydrophobicContact CD2-CD2 4Å; F99-Y103 HydrophobicContact CD2-CE2 4.31Å; F99-Y103 HydrophobicContact CE1-CD2 4.17Å; F99-Y103 AromaticContact CE2-CD2 3.72Å; F99-Y103 HydrophobicContact CE2-CD2 3.72Å; F99-Y103 AromaticContact CE2-CE2 3.98Å; F99-Y103 HydrophobicContact CE2-CE2 3.98Å; F99-Y103 HydrophobicContact CG-CD2 4.34Å; F99-Y103 AromaticContact CZ-CD2 3.82Å; F99-Y103 HydrophobicContact CZ-CD2 3.82Å; F99-Y103 HydrophobicContact CZ-CE2 4.43Å; F99-Y103 PolarHBondContact O-N 3.49Å; F99-M106 HydrophobicContact CE1-CE 4.46Å; F99-M106 HydrophobicContact CE1-SD 3.44Å; F99-M106 WeakPolarHBondContact CE1-SD 3.37Å; F99-M106 HydrophobicContact CZ-CE 4.21Å; F99-M106 HydrophobicContact CZ-SD 3.61Å; F99-R108 PolarHBondContact O-NH2 3.08Å; F99-L137 HydrophobicContact CD1-CD1 4.29Å; F99-L137 HydrophobicContact CE1-CD1 3.46Å; F99-L137 VanDerWaalsContact CE1-CD1 3.46Å; F99-L137 HydrophobicContact CE1-CD2 4.23Å; F99-L137 HydrophobicContact CE1-CG 4.49Å; F99-L137 HydrophobicContact CZ-CD1 3.66Å
100	K	82.2	Confident	85.2	Confident	152 Å²	152	73.5 Å²	73.5	66%	0.661	37%	0.374	S	S	*	.	H	α-helix	trans	-64.4	-32.5	178.3	-166.4	170.9	-176.6	172.9	0	114.7	S98	S98-K100 VanDerWaalsContact C-N 3.27Å; S98-K100 PolarHBondContact O-N 2.91Å
101	R	81.9	Confident	85	Confident	205 Å²	205	74 Å²	74	77%	0.774	38%	0.377	S	S	*	.	H	α-helix	trans	-81.9	-35.4	178.1	-78.4	-173.5	-71.6	-150.5	-1.1	112.2	S98 F99	S98-R101 PolarHBondContact O-N 3.38Å; S98-R101 VanDerWaalsContact O-N 3.14Å; S98-R101 PolarHBondContact OG-NE 3.34Å; S98-R101 PolarHBondContact OG-NH2 3.06Å; F99-R101 PolarHBondContact O-N 2.99Å
102	K	82.9	Confident	84.9	Confident	109 Å²	109	75.5 Å²	75.5	47%	0.474	39%	0.387	S	S	.	.	H	α-helix	trans	-75.8	-35.6	-177.5	-161.7	172.2	-179.4	175.8	0	112	V96 S98 F99 Y150	V96-K102 HydrophobicContact CG1-CB 4.19Å; V96-K102 HydrophobicContact CG1-CD 3.88Å; V96-K102 HydrophobicContact CG2-CD 4.22Å; S98-K102 PolarHBondContact O-N 3.03Å; F99-K102 PolarHBondContact O-N 3.2Å; K102-Y150 WeakPolarHBondContact CE-OH 3.48Å; K102-Y150 PolarHBondContact NZ-OH 2.85Å
103	Y	85.8	Confident	84.7	Confident	20 Å²	20	77.6 Å²	77.6	8%	0.078	40%	0.397	C	S	.	.			trans	-128.8	64.2	-176.4	-53.5	-61.1	0	0	0	111.8	F99 D105 M106 R108 L145 E149 Y150	F99-Y103 HydrophobicContact CD1-CD2 4.43Å; F99-Y103 HydrophobicContact CD2-CD2 4Å; F99-Y103 HydrophobicContact CD2-CE2 4.31Å; F99-Y103 HydrophobicContact CE1-CD2 4.17Å; F99-Y103 AromaticContact CE2-CD2 3.72Å; F99-Y103 HydrophobicContact CE2-CD2 3.72Å; F99-Y103 AromaticContact CE2-CE2 3.98Å; F99-Y103 HydrophobicContact CE2-CE2 3.98Å; F99-Y103 HydrophobicContact CG-CD2 4.34Å; F99-Y103 AromaticContact CZ-CD2 3.82Å; F99-Y103 HydrophobicContact CZ-CD2 3.82Å; F99-Y103 HydrophobicContact CZ-CE2 4.43Å; F99-Y103 PolarHBondContact O-N 3.49Å; Y103-D105 PolarHBondContact O-N 3.42Å; Y103-M106 PolarHBondContact O-N 3.17Å; Y103-R108 PolarHBondContact O-NH2 3.2Å; Y103-L145 HydrophobicContact CD1-CD1 3.51Å; Y103-L145 HydrophobicContact CD2-CD1 3.85Å; Y103-L145 HydrophobicContact CE1-CD1 3.53Å; Y103-L145 HydrophobicContact CE1-CG 4.39Å; Y103-L145 HydrophobicContact CE2-CD1 3.85Å; Y103-L145 HydrophobicContact CE2-CD2 4.35Å; Y103-L145 HydrophobicContact CG-CD1 3.68Å; Y103-E149 WeakPolarHBondContact CE1-OE2 3.32Å; Y103-E149 VanDerWaalsContact CZ-OE2 3.27Å; Y103-E149 PolarHBondContact OH-OE2 3.08Å; Y103-Y150 VanDerWaalsContact OH-CE2 3.31Å; Y103-Y150 WeakPolarHBondContact OH-CE2 3.38Å; Y103-Y150 PolarHBondContact OH-OH 3.3Å
104	P	81.9	Confident	84.5	Confident	77 Å²	77	84.9 Å²	84.9	50%	0.5	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-37.3	-173.7	22.7	-32.5	0	0	0	112.9	M106 R108	P104-M106 VanDerWaalsContact C-N 3.33Å; P104-M106 PolarHBondContact O-N 2.92Å; P104-R108 PolarHBondContact O-NH1 2.85Å; P104-R108 VanDerWaalsContact O-NH1 3.17Å
105	D	82.5	Confident	84.5	Confident	156 Å²	156	84.2 Å²	84.2	83%	0.834	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-4.9	-172.6	-55	-35.7	0	0	0	114.7	Y103	Y103-D105 PolarHBondContact O-N 3.42Å
106	M	84.8	Confident	84.5	Confident	23 Å²	23	82.8 Å²	82.8	11%	0.113	40%	0.401	C	S	.	.	S	Bend	trans	-73.8	135	178.1	-171.7	172.2	-73.5	0	0	111.4	F99 Y103 P104 R108 L137 V142 L145	F99-M106 HydrophobicContact CE1-CE 4.46Å; F99-M106 HydrophobicContact CE1-SD 3.44Å; F99-M106 WeakPolarHBondContact CE1-SD 3.37Å; F99-M106 HydrophobicContact CZ-CE 4.21Å; F99-M106 HydrophobicContact CZ-SD 3.61Å; Y103-M106 PolarHBondContact O-N 3.17Å; P104-M106 VanDerWaalsContact C-N 3.33Å; P104-M106 PolarHBondContact O-N 2.92Å; M106-R108 PolarHBondContact O-N 3.47Å; M106-R108 PolarHBondContact O-NH1 3.03Å; M106-L137 HydrophobicContact CG-CD2 4.1Å; M106-L137 HydrophobicContact SD-CD1 3.83Å; M106-L137 HydrophobicContact SD-CD2 3.9Å; M106-L137 HydrophobicContact SD-CG 4.31Å; M106-V142 HydrophobicContact SD-CG2 4.46Å; M106-L145 HydrophobicContact CE-CB 4.09Å; M106-L145 HydrophobicContact CE-CD1 3.32Å; M106-L145 HydrophobicContact CE-CG 4.29Å
107	E	82.4	Confident	84.4	Confident	127 Å²	127	85.9 Å²	85.9	59%	0.593	42%	0.417	S	S	*	.			trans	-70	129	-179.2	-68.5	-165	168.1	0	0	111.1	L137 E141	E107-L137 WeakPolarHBondContact O-CD2 3.4Å; E107-E141 PolarHBondContact N-OE2 3.28Å
108	R	87.9	Confident	84.7	Confident	71 Å²	71	81.6 Å²	81.6	27%	0.268	38%	0.384	S	S	.	.			trans	-125.8	132.2	-178.2	-66.2	174.3	-172.9	85.8	9.8	109.8	Q87 F99 Y103 P104 M106 L137	Q87-R108 VanDerWaalsContact OE1-CD 3.26Å; F99-R108 PolarHBondContact O-NH2 3.08Å; Y103-R108 PolarHBondContact O-NH2 3.2Å; P104-R108 PolarHBondContact O-NH1 2.85Å; P104-R108 VanDerWaalsContact O-NH1 3.17Å; M106-R108 PolarHBondContact O-N 3.47Å; M106-R108 PolarHBondContact O-NH1 3.03Å; R108-L137 HydrophobicContact CG-CD2 3.69Å
109	R	87.3	Confident	84.8	Confident	72 Å²	72	80.2 Å²	80.2	27%	0.272	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130	175.9	-169.6	-178.3	58.9	72.2	-4.9	110.2	E115 A136	R109-E115 IonicContact CZ-OE1 3.27Å; R109-E115 IonicContact CZ-OE2 3.37Å; R109-E115 IonicContact NH1-OE1 3.17Å; R109-E115 IonicContact NH1-OE2 2.93Å; R109-E115 PolarHBondContact NH1-OE2 2.99Å; R109-E115 VanDerWaalsContact NH2-CD 3.26Å; R109-E115 IonicContact NH2-OE1 2.89Å; R109-E115 PolarHBondContact NH2-OE1 2.74Å; R109-E115 IonicContact NH2-OE2 2.76Å; R109-E115 PolarHBondContact NH2-OE2 3.24Å; R109-E115 VanDerWaalsContact NH2-OE2 3.14Å; R109-A136 PolarHBondContact N-O 3.04Å; R109-A136 PolarHBondContact O-N 3.12Å
110	D	85.1	Confident	84.9	Confident	123 Å²	123	84.6 Å²	84.6	66%	0.658	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	140.2	172.3	-63.5	-37.5	0	0	0	110.3	S112 T135	D110-S112 PolarHBondContact O-N 3.09Å; D110-T135 WeakPolarHBondContact OD1-CG2 3.34Å
111	L	85.3	Confident	85.1	Confident	12 Å²	12	84.3 Å²	84.3	6%	0.063	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-69.6	128.3	177.8	-62.9	-178.3	0	0	0	111.1	Y73 L86 E115 K116 L119 I125 L134 A136	Y73-L111 WeakPolarHBondContact OH-CD2 3.34Å; L86-L111 HydrophobicContact CD2-CD1 3.69Å; L86-L111 HydrophobicContact CD2-CD2 4.16Å; L86-L111 HydrophobicContact CD2-CG 4.39Å; L111-E115 HydrophobicContact CD2-CG 4.02Å; L111-E115 WeakPolarHBondContact CD2-OE1 3.42Å; L111-K116 HydrophobicContact CB-CD 4.38Å; L111-K116 HydrophobicContact CB-CG 3.72Å; L111-K116 HydrophobicContact CD1-CG 4.1Å; L111-K116 WeakPolarHBondContact O-CE 3.38Å; L111-L119 HydrophobicContact CD1-CD1 3.97Å; L111-L119 HydrophobicContact CD2-CD1 4.26Å; L111-I125 HydrophobicContact CD1-CD1 3.98Å; L111-L134 HydrophobicContact CD1-CB 3.44Å; L111-L134 VanDerWaalsContact CD1-CB 3.44Å; L111-L134 HydrophobicContact CD1-CD1 3.93Å; L111-L134 HydrophobicContact CD1-CG 4.36Å; L111-L134 HydrophobicContact CG-CB 4.07Å; L111-L134 PolarHBondContact N-O 3.15Å; L111-A136 HydrophobicContact CD2-CB 3.75Å
112	S	86.6	Confident	85.1	Confident	61 Å²	61	79.9 Å²	79.9	43%	0.427	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-68.1	153.1	172.4	-179	0	0	0	0	111	D110 K114 E115 K116	D110-S112 PolarHBondContact O-N 3.09Å; S112-K114 PolarHBondContact O-N 3.36Å; S112-E115 PolarHBondContact N-OE2 3.2Å; S112-E115 WeakPolarHBondContact O-CB 3.41Å; S112-E115 PolarHBondContact O-N 3.08Å; S112-K116 WeakPolarHBondContact O-CG 3.42Å; S112-K116 PolarHBondContact O-N 3.42Å
113	H	84.4	Confident	85.1	Confident	142 Å²	142	81.9 Å²	81.9	66%	0.657	40%	0.396	S	S	*	.	H	α-helix	trans	-57.3	-37.5	178.5	-172.8	65.2	0	0	0	112.6	E115 K116 L117	H113-E115 VanDerWaalsContact C-N 3.34Å; H113-K116 PolarHBondContact O-N 3.49Å; H113-L117 WeakPolarHBondContact O-CG 3.33Å; H113-L117 PolarHBondContact O-N 2.89Å; H113-L117 VanDerWaalsContact O-N 3.15Å
114	K	85.5	Confident	84.9	Confident	158 Å²	158	82.2 Å²	82.2	69%	0.687	40%	0.4	S	S	*	.	H	α-helix	trans	-65	-38.1	175.4	-66.7	-177.4	178.4	-179	0	112.4	W75 S112 L117 Y118	W75-K114 HydrophobicContact CH2-CB 4.15Å; S112-K114 PolarHBondContact O-N 3.36Å; K114-L117 PolarHBondContact O-N 3.2Å; K114-Y118 PolarHBondContact O-N 2.86Å
115	E	86.9	Confident	85	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-69.7	-39.9	178.2	-174.1	179.4	-176.1	0	0	111.5	Y73 W75 R109 L111 S112 H113 L117 Y118 L119	Y73-E115 HydrophobicContact CE2-CG 4.27Å; Y73-E115 VanDerWaalsContact CE2-OE1 3.24Å; Y73-E115 WeakPolarHBondContact CE2-OE1 3.46Å; Y73-E115 PolarHBondContact OH-OE1 3.03Å; W75-E115 HydrophobicContact CD2-CB 4.03Å; W75-E115 HydrophobicContact CD2-CG 3.69Å; W75-E115 HydrophobicContact CE3-CB 4.19Å; W75-E115 HydrophobicContact CE3-CG 3.91Å; W75-E115 HydrophobicContact CG-CG 4.08Å; W75-E115 HydrophobicContact CH2-CB 3.88Å; W75-E115 HydrophobicContact CH2-CG 4.49Å; W75-E115 HydrophobicContact CZ2-CB 3.69Å; W75-E115 HydrophobicContact CZ2-CG 4.31Å; W75-E115 HydrophobicContact CZ3-CB 4.12Å; W75-E115 HydrophobicContact CZ3-CG 4.3Å; R109-E115 IonicContact CZ-OE1 3.27Å; R109-E115 IonicContact CZ-OE2 3.37Å; R109-E115 IonicContact NH1-OE1 3.17Å; R109-E115 IonicContact NH1-OE2 2.93Å; R109-E115 PolarHBondContact NH1-OE2 2.99Å; R109-E115 VanDerWaalsContact NH2-CD 3.26Å; R109-E115 IonicContact NH2-OE1 2.89Å; R109-E115 PolarHBondContact NH2-OE1 2.74Å; R109-E115 IonicContact NH2-OE2 2.76Å; R109-E115 PolarHBondContact NH2-OE2 3.24Å; R109-E115 VanDerWaalsContact NH2-OE2 3.14Å; L111-E115 HydrophobicContact CD2-CG 4.02Å; L111-E115 WeakPolarHBondContact CD2-OE1 3.42Å; S112-E115 PolarHBondContact N-OE2 3.2Å; S112-E115 WeakPolarHBondContact O-CB 3.41Å; S112-E115 PolarHBondContact O-N 3.08Å; H113-E115 VanDerWaalsContact C-N 3.34Å; E115-L117 VanDerWaalsContact C-N 3.32Å; E115-L117 PolarHBondContact O-N 3.35Å; E115-Y118 WeakPolarHBondContact O-CB 3.12Å; E115-Y118 PolarHBondContact O-N 3.38Å; E115-L119 HydrophobicContact CG-CD1 4.27Å; E115-L119 WeakPolarHBondContact O-CG 3.49Å; E115-L119 PolarHBondContact O-N 3.2Å
116	K	85.6	Confident	85	Confident	31 Å²	31	74.9 Å²	74.9	14%	0.135	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-39.8	173.9	-65.6	-173.7	-173.4	-174.5	0	112.2	L111 S112 H113 L119 R120 C130 L132	L111-K116 HydrophobicContact CB-CD 4.38Å; L111-K116 HydrophobicContact CB-CG 3.72Å; L111-K116 HydrophobicContact CD1-CG 4.1Å; L111-K116 WeakPolarHBondContact O-CE 3.38Å; S112-K116 WeakPolarHBondContact O-CG 3.42Å; S112-K116 PolarHBondContact O-N 3.42Å; H113-K116 PolarHBondContact O-N 3.49Å; K116-L119 PolarHBondContact O-N 3.25Å; K116-R120 WeakPolarHBondContact O-CB 3.27Å; K116-R120 PolarHBondContact O-N 3.37Å; K116-C130 WeakPolarHBondContact CD-O 3.42Å; K116-C130 PolarHBondContact NZ-O 2.76Å; K116-L132 PolarHBondContact NZ-O 3.46Å
117	L	85.3	Confident	84.8	Confident	78 Å²	78	79.7 Å²	79.7	41%	0.408	38%	0.382	S	S	.	.	H	α-helix	trans	-64.6	-43.4	174.5	-70	171.6	0	0	0	111.4	H113 K114 E115 L119 R120 E121	H113-L117 WeakPolarHBondContact O-CG 3.33Å; H113-L117 PolarHBondContact O-N 2.89Å; H113-L117 VanDerWaalsContact O-N 3.15Å; K114-L117 PolarHBondContact O-N 3.2Å; E115-L117 VanDerWaalsContact C-N 3.32Å; E115-L117 PolarHBondContact O-N 3.35Å; L117-L119 PolarHBondContact O-N 3.39Å; L117-R120 WeakPolarHBondContact O-CB 3.43Å; L117-R120 PolarHBondContact O-N 3.02Å; L117-E121 WeakPolarHBondContact O-CG 3.36Å; L117-E121 PolarHBondContact O-N 3.48Å
118	Y	86.4	Confident	84.6	Confident	61 Å²	61	78.5 Å²	78.5	24%	0.239	38%	0.383	C	S	.	.	H	α-helix	trans	-59.1	-46.6	175.2	175.6	-100.8	0	0	0	112.1	W75 P77 K114 E115 R120 E121 Q122	W75-Y118 HydrophobicContact CE3-CD1 4.19Å; W75-Y118 HydrophobicContact CE3-CG 4.45Å; W75-Y118 HydrophobicContact CZ3-CD1 4.28Å; W75-Y118 HydrophobicContact CZ3-CG 4.07Å; P77-Y118 HydrophobicContact CB-CE2 4.39Å; P77-Y118 HydrophobicContact CG-CD2 4.26Å; P77-Y118 HydrophobicContact CG-CE2 4.06Å; K114-Y118 PolarHBondContact O-N 2.86Å; E115-Y118 WeakPolarHBondContact O-CB 3.12Å; E115-Y118 PolarHBondContact O-N 3.38Å; Y118-R120 VanDerWaalsContact C-N 3.3Å; Y118-R120 PolarHBondContact O-N 3.32Å; Y118-E121 PolarHBondContact O-N 3.28Å; Y118-Q122 HydrophobicContact CE1-CG 4.15Å; Y118-Q122 HydrophobicContact CE2-CG 4.31Å; Y118-Q122 WeakPolarHBondContact O-CG 3.09Å; Y118-Q122 PolarHBondContact O-N 3.21Å
119	L	85.9	Confident	84.2	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-67.8	-29.5	178.2	-70.1	172.5	0	0	0	113.2	Y73 L86 L111 E115 K116 L117 N123 V124 I125	Y73-L119 HydrophobicContact CD1-CD2 3.78Å; Y73-L119 HydrophobicContact CD2-CD2 3.69Å; Y73-L119 HydrophobicContact CD2-CG 4.44Å; Y73-L119 HydrophobicContact CE1-CD1 4.13Å; Y73-L119 HydrophobicContact CE1-CD2 4.16Å; Y73-L119 HydrophobicContact CE2-CD1 4.06Å; Y73-L119 HydrophobicContact CE2-CD2 4.07Å; Y73-L119 HydrophobicContact CE2-CG 4.4Å; Y73-L119 HydrophobicContact CG-CD2 3.53Å; L86-L119 HydrophobicContact CD2-CD1 4.17Å; L111-L119 HydrophobicContact CD1-CD1 3.97Å; L111-L119 HydrophobicContact CD2-CD1 4.26Å; E115-L119 HydrophobicContact CG-CD1 4.27Å; E115-L119 WeakPolarHBondContact O-CG 3.49Å; E115-L119 PolarHBondContact O-N 3.2Å; K116-L119 PolarHBondContact O-N 3.25Å; L117-L119 PolarHBondContact O-N 3.39Å; L119-N123 PolarHBondContact O-N 2.54Å; L119-V124 HydrophobicContact CB-CB 4.42Å; L119-V124 HydrophobicContact CD2-CB 4.14Å; L119-V124 HydrophobicContact CD2-CG1 4.29Å; L119-V124 HydrophobicContact CD2-CG2 4.25Å; L119-V124 PolarHBondContact O-N 2.65Å; L119-I125 HydrophobicContact CB-CB 4.39Å; L119-I125 HydrophobicContact CB-CD1 3.54Å; L119-I125 HydrophobicContact CB-CG1 3.95Å; L119-I125 HydrophobicContact CD1-CD1 3.44Å; L119-I125 VanDerWaalsContact CD1-CD1 3.44Å; L119-I125 HydrophobicContact CD1-CG1 4.45Å; L119-I125 HydrophobicContact CG-CD1 4.09Å; L119-I125 PolarHBondContact O-N 3.29Å
120	R	86.1	Confident	83.7	Confident	98 Å²	98	76.6 Å²	76.6	37%	0.37	38%	0.383	S	S	.	.	H	α-helix	trans	-65.9	-45.1	169.5	178.8	-173.4	173.3	149.6	6.1	111.2	K116 L117 Y118 Q122 N123 E127	K116-R120 WeakPolarHBondContact O-CB 3.27Å; K116-R120 PolarHBondContact O-N 3.37Å; L117-R120 WeakPolarHBondContact O-CB 3.43Å; L117-R120 PolarHBondContact O-N 3.02Å; Y118-R120 VanDerWaalsContact C-N 3.3Å; Y118-R120 PolarHBondContact O-N 3.32Å; R120-Q122 VanDerWaalsContact C-N 3.26Å; R120-Q122 PolarHBondContact O-N 3.27Å; R120-N123 PolarHBondContact O-N 2.99Å; R120-N123 PolarHBondContact O-OD1 2.92Å; R120-E127 IonicContact CZ-OE1 3.65Å; R120-E127 VanDerWaalsContact CZ-OE1 3.27Å; R120-E127 VanDerWaalsContact NH1-CD 3.32Å; R120-E127 IonicContact NH1-OE1 3.14Å; R120-E127 PolarHBondContact NH1-OE1 3.49Å; R120-E127 IonicContact NH2-OE1 2.69Å; R120-E127 PolarHBondContact NH2-OE1 3.48Å; R120-E127 IonicContact NH2-OE2 3.36Å; R120-E127 PolarHBondContact NH2-OE2 3.01Å
121	E	86.3	Confident	83.2	Confident	147 Å²	147	76.4 Å²	76.4	69%	0.687	39%	0.387	S	S	*	.	H	α-helix	trans	-63.3	-32.8	177.8	-74	176.3	-178	0	0	112.4	L117 Y118 N123	L117-E121 WeakPolarHBondContact O-CG 3.36Å; L117-E121 PolarHBondContact O-N 3.48Å; Y118-E121 PolarHBondContact O-N 3.28Å; E121-N123 PolarHBondContact O-N 3.49Å
122	Q	81.8	Confident	83	Confident	112 Å²	112	80.4 Å²	80.4	52%	0.523	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	4.8	173.8	-62.6	-53.7	-57.9	0	0	113.8	Y118 R120 V124	Y118-Q122 HydrophobicContact CE1-CG 4.15Å; Y118-Q122 HydrophobicContact CE2-CG 4.31Å; Y118-Q122 WeakPolarHBondContact O-CG 3.09Å; Y118-Q122 PolarHBondContact O-N 3.21Å; R120-Q122 VanDerWaalsContact C-N 3.26Å; R120-Q122 PolarHBondContact O-N 3.27Å; Q122-V124 HydrophobicContact CB-CG2 3.85Å; Q122-V124 PolarHBondContact O-N 3.47Å
123	N	82.9	Confident	82.8	Confident	151 Å²	151	80.8 Å²	80.8	81%	0.807	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	26.1	-175.9	-68.5	-19.2	0	0	0	114.6	L119 R120 E121	L119-N123 PolarHBondContact O-N 2.54Å; R120-N123 PolarHBondContact O-N 2.99Å; R120-N123 PolarHBondContact O-OD1 2.92Å; E121-N123 PolarHBondContact O-N 3.49Å
124	V	82.4	Confident	82.8	Confident	26 Å²	26	74.4 Å²	74.4	16%	0.158	39%	0.391	C	S	.	.	S	Bend	trans	-82	-31.4	177.3	-176.5	0	0	0	0	111.2	T71 L86 L119 Q122	T71-V124 HydrophobicContact CG2-CG1 3.96Å; T71-V124 HydrophobicContact CG2-CG2 3.85Å; L86-V124 HydrophobicContact CD1-CG1 4.1Å; L119-V124 HydrophobicContact CB-CB 4.42Å; L119-V124 HydrophobicContact CD2-CB 4.14Å; L119-V124 HydrophobicContact CD2-CG1 4.29Å; L119-V124 HydrophobicContact CD2-CG2 4.25Å; L119-V124 PolarHBondContact O-N 2.65Å; Q122-V124 HydrophobicContact CB-CG2 3.85Å; Q122-V124 PolarHBondContact O-N 3.47Å
125	I	83.9	Confident	83	Confident	7 Å²	7	67.6 Å²	67.6	4%	0.036	36%	0.363	C	S	.	.	S	Bend	trans	-128.8	139.5	-175	-61.5	176.4	0	0	0	109.6	L86 L111 L119 Q129 L134	L86-I125 HydrophobicContact CD1-CD1 3.65Å; L86-I125 HydrophobicContact CD1-CG1 3.59Å; L86-I125 HydrophobicContact CD2-CD1 4.22Å; L111-I125 HydrophobicContact CD1-CD1 3.98Å; L119-I125 HydrophobicContact CB-CB 4.39Å; L119-I125 HydrophobicContact CB-CD1 3.54Å; L119-I125 HydrophobicContact CB-CG1 3.95Å; L119-I125 HydrophobicContact CD1-CD1 3.44Å; L119-I125 VanDerWaalsContact CD1-CD1 3.44Å; L119-I125 HydrophobicContact CD1-CG1 4.45Å; L119-I125 HydrophobicContact CG-CD1 4.09Å; L119-I125 PolarHBondContact O-N 3.29Å; I125-Q129 HydrophobicContact CG2-CB 3.33Å; I125-Q129 HydrophobicContact CG2-CG 4.46Å; I125-L134 HydrophobicContact CD1-CD1 3.56Å; I125-L134 HydrophobicContact CG1-CD1 4.28Å; I125-L134 HydrophobicContact CG2-CD1 3.81Å
126	T	83.2	Confident	83.2	Confident	73 Å²	73	67.7 Å²	67.7	45%	0.448	36%	0.364	S	S	.	.			trans	-79.9	160.6	175.4	68.3	0	0	0	0	112.8	T128 Q129 C130	T126-T128 PolarHBondContact O-N 2.92Å; T126-T128 PolarHBondContact OG1-OG1 3.13Å; T126-Q129 PolarHBondContact O-N 3.35Å; T126-Q129 VanDerWaalsContact OG1-CG 3.31Å; T126-Q129 WeakPolarHBondContact OG1-CG 3.47Å; T126-Q129 PolarHBondContact OG1-N 3.3Å; T126-Q129 PolarHBondContact OG1-OE1 3.15Å; T126-C130 PolarHBondContact O-N 2.91Å; T126-C130 VanDerWaalsContact O-N 3.08Å; T126-C130 PolarHBondContact O-SG 3.18Å
127	E	80.3	Confident	83.6	Confident	124 Å²	124	66.2 Å²	66.2	58%	0.579	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.7	177.6	179.2	158.2	-131.9	0	0	113.5	R120	R120-E127 IonicContact CZ-OE1 3.65Å; R120-E127 VanDerWaalsContact CZ-OE1 3.27Å; R120-E127 VanDerWaalsContact NH1-CD 3.32Å; R120-E127 IonicContact NH1-OE1 3.14Å; R120-E127 PolarHBondContact NH1-OE1 3.49Å; R120-E127 IonicContact NH2-OE1 2.69Å; R120-E127 PolarHBondContact NH2-OE1 3.48Å; R120-E127 IonicContact NH2-OE2 3.36Å; R120-E127 PolarHBondContact NH2-OE2 3.01Å
128	T	78.5	Confident	83.9	Confident	102 Å²	102	65 Å²	65	63%	0.626	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-39.9	174.9	52.6	0	0	0	0	111.5	T126 C130 T131	T126-T128 PolarHBondContact O-N 2.92Å; T126-T128 PolarHBondContact OG1-OG1 3.13Å; T128-C130 VanDerWaalsContact C-N 3.31Å; T128-C130 PolarHBondContact O-N 3.39Å; T128-T131 PolarHBondContact O-N 2.98Å; T128-T131 PolarHBondContact O-OG1 3.47Å
129	Q	79.4	Confident	84.1	Confident	76 Å²	76	62.3 Å²	62.3	36%	0.355	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-68.8	-26.1	177.7	-72.1	172.6	-32.1	0	0	113.1	I125 T126 T131 L132 L134	I125-Q129 HydrophobicContact CG2-CB 3.33Å; I125-Q129 HydrophobicContact CG2-CG 4.46Å; T126-Q129 PolarHBondContact O-N 3.35Å; T126-Q129 VanDerWaalsContact OG1-CG 3.31Å; T126-Q129 WeakPolarHBondContact OG1-CG 3.47Å; T126-Q129 PolarHBondContact OG1-N 3.3Å; T126-Q129 PolarHBondContact OG1-OE1 3.15Å; Q129-T131 PolarHBondContact O-N 3.33Å; Q129-L132 HydrophobicContact CG-CD1 4.34Å; Q129-L132 WeakPolarHBondContact O-CB 3.23Å; Q129-L132 PolarHBondContact O-N 3.11Å; Q129-L134 HydrophobicContact CB-CD1 4.33Å; Q129-L134 WeakPolarHBondContact O-CD1 3.12Å
130	C	75.9	Confident	84.4	Confident	26 Å²	26	65.5 Å²	65.5	18%	0.176	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-60	-27.3	173.4	-71.1	0	0	0	0	113.6	K116 T126 T128 L132	K116-C130 WeakPolarHBondContact CD-O 3.42Å; K116-C130 PolarHBondContact NZ-O 2.76Å; T126-C130 PolarHBondContact O-N 2.91Å; T126-C130 VanDerWaalsContact O-N 3.08Å; T126-C130 PolarHBondContact O-SG 3.18Å; T128-C130 VanDerWaalsContact C-N 3.31Å; T128-C130 PolarHBondContact O-N 3.39Å; C130-L132 VanDerWaalsContact C-N 3.31Å
131	T	74.6	Confident	84.6	Confident	120 Å²	120	63 Å²	63	74%	0.736	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-81.3	-12.8	177.1	68.8	0	0	0	0	113	T128 Q129	T128-T131 PolarHBondContact O-N 2.98Å; T128-T131 PolarHBondContact O-OG1 3.47Å; Q129-T131 PolarHBondContact O-N 3.33Å
132	L	81.6	Confident	84.8	Confident	95 Å²	95	56 Å²	56	50%	0.497	32%	0.315	S	S	.	.	S	Bend	trans	-83.6	155.2	178.8	-58.6	176.3	0	0	0	111.9	K116 Q129 C130 L134	K116-L132 PolarHBondContact NZ-O 3.46Å; Q129-L132 HydrophobicContact CG-CD1 4.34Å; Q129-L132 WeakPolarHBondContact O-CB 3.23Å; Q129-L132 PolarHBondContact O-N 3.11Å; C130-L132 VanDerWaalsContact C-N 3.31Å; L132-L134 HydrophobicContact CB-CD2 4.27Å; L132-L134 HydrophobicContact CB-CG 4.35Å; L132-L134 PolarHBondContact O-N 3.08Å
133	G	81.3	Confident	85.3	Confident	69 Å²	69	52.6 Å²	52.6	71%	0.711	30%	0.299	S	S	*	.			trans	-77.2	72.4	171.7	0	0	0	0	0	111.2
134	L	85.8	Confident	85.7	Confident	8 Å²	8	50.4 Å²	50.4	4%	0.042	29%	0.287	C	S	.	.			trans	-75.3	145.6	178.5	-61.8	177.4	0	0	0	111.6	E88 L111 I125 Q129 L132	E88-L134 HydrophobicContact CG-CD2 3.88Å; L111-L134 HydrophobicContact CD1-CB 3.44Å; L111-L134 VanDerWaalsContact CD1-CB 3.44Å; L111-L134 HydrophobicContact CD1-CD1 3.93Å; L111-L134 HydrophobicContact CD1-CG 4.36Å; L111-L134 HydrophobicContact CG-CB 4.07Å; L111-L134 PolarHBondContact N-O 3.15Å; I125-L134 HydrophobicContact CD1-CD1 3.56Å; I125-L134 HydrophobicContact CG1-CD1 4.28Å; I125-L134 HydrophobicContact CG2-CD1 3.81Å; Q129-L134 HydrophobicContact CB-CD1 4.33Å; Q129-L134 WeakPolarHBondContact O-CD1 3.12Å; L132-L134 HydrophobicContact CB-CD2 4.27Å; L132-L134 HydrophobicContact CB-CG 4.35Å; L132-L134 PolarHBondContact O-N 3.08Å
135	T	89.4	Confident	86.1	Confident	16 Å²	16	50 Å²	50	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.1	-175.9	46.7	0	0	0	0	111.1	Q87 E88 D110	Q87-T135 WeakPolarHBondContact CB-O 3.31Å; Q87-T135 WeakPolarHBondContact CB-OG1 3.45Å; Q87-T135 PolarHBondContact N-O 2.93Å; Q87-T135 PolarHBondContact NE2-OG1 2.72Å; Q87-T135 VanDerWaalsContact NE2-OG1 3.08Å; E88-T135 PolarHBondContact OE1-N 3.3Å; E88-T135 PolarHBondContact OE1-OG1 3.44Å; E88-T135 PolarHBondContact OE2-N 3.26Å; D110-T135 WeakPolarHBondContact OD1-CG2 3.34Å
136	A	91.4	Very high	86.4	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	141.7	175.6	0	0	0	0	0	110.8	Y73 Y84 M85 R109 L111	Y73-A136 WeakPolarHBondContact OH-CB 3.43Å; Y84-A136 HydrophobicContact CD1-CB 4.1Å; Y84-A136 HydrophobicContact CG-CB 4.49Å; M85-A136 WeakPolarHBondContact O-CA 3.33Å; R109-A136 PolarHBondContact N-O 3.04Å; R109-A136 PolarHBondContact O-N 3.12Å; L111-A136 HydrophobicContact CD2-CB 3.75Å
137	L	92.4	Very high	86.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.7	171.9	-56.7	175	0	0	0	108.7	Y84 M85 Q87 V90 F99 M106 E107 R108 V142	Y84-L137 CarbonylContact C-O 2.91Å; Y84-L137 WeakPolarHBondContact CA-O 3.39Å; Y84-L137 WeakPolarHBondContact CD1-O 3.5Å; M85-L137 PolarHBondContact N-O 3.01Å; M85-L137 PolarHBondContact O-N 3.48Å; Q87-L137 HydrophobicContact CB-CD1 4Å; Q87-L137 HydrophobicContact CB-CD2 4.45Å; Q87-L137 HydrophobicContact CB-CG 3.99Å; Q87-L137 HydrophobicContact CG-CD1 4.03Å; Q87-L137 HydrophobicContact CG-CD2 4.49Å; Q87-L137 HydrophobicContact CG-CG 4.35Å; V90-L137 HydrophobicContact CB-CD1 4.41Å; V90-L137 HydrophobicContact CG1-CD1 4.44Å; V90-L137 HydrophobicContact CG2-CD1 4.4Å; F99-L137 HydrophobicContact CD1-CD1 4.29Å; F99-L137 HydrophobicContact CE1-CD1 3.46Å; F99-L137 VanDerWaalsContact CE1-CD1 3.46Å; F99-L137 HydrophobicContact CE1-CD2 4.23Å; F99-L137 HydrophobicContact CE1-CG 4.49Å; F99-L137 HydrophobicContact CZ-CD1 3.66Å; M106-L137 HydrophobicContact CG-CD2 4.1Å; M106-L137 HydrophobicContact SD-CD1 3.83Å; M106-L137 HydrophobicContact SD-CD2 3.9Å; M106-L137 HydrophobicContact SD-CG 4.31Å; E107-L137 WeakPolarHBondContact O-CD2 3.4Å; R108-L137 HydrophobicContact CG-CD2 3.69Å; L137-V142 HydrophobicContact CB-CG2 3.58Å; L137-V142 HydrophobicContact CD1-CG2 3.77Å; L137-V142 HydrophobicContact CG-CG2 4.35Å
138	R	92.1	Very high	87.3	Confident	54 Å²	54	52.7 Å²	52.7	20%	0.204	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	135.2	174.2	-63.7	177.3	64.7	-106.8	-9	109.8	E82 Y84 D140 E141 V142	E82-R138 IonicContact OE1-NE 3.38Å; E82-R138 IonicContact OE1-NH2 3.63Å; E82-R138 IonicContact OE2-NE 2.72Å; Y84-R138 HydrophobicContact CD1-CG 4.2Å; Y84-R138 HydrophobicContact CE1-CG 3.63Å; R138-D140 VanDerWaalsContact C-N 3.34Å; R138-D140 WeakPolarHBondContact CB-OD1 3.35Å; R138-D140 IonicContact CZ-OD1 3.88Å; R138-D140 IonicContact CZ-OD2 3.29Å; R138-D140 IonicContact NE-OD1 2.88Å; R138-D140 IonicContact NH1-OD1 3.07Å; R138-D140 PolarHBondContact NH1-OD1 3.01Å; R138-D140 VanDerWaalsContact NH1-OD1 3.15Å; R138-D140 IonicContact NH1-OD2 3.19Å; R138-D140 PolarHBondContact NH1-OD2 3.46Å; R138-D140 IonicContact NH2-OD1 3.86Å; R138-D140 PolarHBondContact NH2-OD1 3.16Å; R138-D140 IonicContact NH2-OD2 2.67Å; R138-D140 PolarHBondContact NH2-OD2 3.21Å; R138-D140 PolarHBondContact O-N 3.35Å; R138-E141 HydrophobicContact CB-CG 4.48Å; R138-E141 IonicContact CZ-OE1 2.9Å; R138-E141 IonicContact NH1-OE1 3.54Å; R138-E141 PolarHBondContact NH1-OE1 3.26Å; R138-E141 PolarHBondContact O-N 2.84Å; R138-V142 WeakPolarHBondContact O-CG2 3.31Å; R138-V142 PolarHBondContact O-N 3.21Å
139	S	91.5	Very high	88	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-40.5	-174.1	-73.8	0	0	0	0	113.5	E72 Y83 Y84 V142 I143	E72-S139 WeakPolarHBondContact CG-OG 3.17Å; E72-S139 WeakPolarHBondContact OE1-CB 3.43Å; E72-S139 PolarHBondContact OE1-OG 3.02Å; Y83-S139 VanDerWaalsContact C-OG 3.25Å; Y83-S139 WeakPolarHBondContact CB-OG 3.47Å; Y83-S139 PolarHBondContact O-N 2.8Å; Y83-S139 PolarHBondContact O-OG 2.65Å; Y84-S139 PolarHBondContact N-OG 3.03Å; S139-V142 PolarHBondContact O-N 2.99Å; S139-I143 WeakPolarHBondContact O-CD1 3.38Å; S139-I143 WeakPolarHBondContact O-CG1 3.41Å; S139-I143 PolarHBondContact O-N 3.18Å
140	D	91.2	Very high	88.5	Confident	68 Å²	68	50.6 Å²	50.6	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-60.9	-45.8	179.6	58.1	-29.1	0	0	0	111.7	R138 V142 I143 D144	R138-D140 VanDerWaalsContact C-N 3.34Å; R138-D140 WeakPolarHBondContact CB-OD1 3.35Å; R138-D140 IonicContact CZ-OD1 3.88Å; R138-D140 IonicContact CZ-OD2 3.29Å; R138-D140 IonicContact NE-OD1 2.88Å; R138-D140 IonicContact NH1-OD1 3.07Å; R138-D140 PolarHBondContact NH1-OD1 3.01Å; R138-D140 VanDerWaalsContact NH1-OD1 3.15Å; R138-D140 IonicContact NH1-OD2 3.19Å; R138-D140 PolarHBondContact NH1-OD2 3.46Å; R138-D140 IonicContact NH2-OD1 3.86Å; R138-D140 PolarHBondContact NH2-OD1 3.16Å; R138-D140 IonicContact NH2-OD2 2.67Å; R138-D140 PolarHBondContact NH2-OD2 3.21Å; R138-D140 PolarHBondContact O-N 3.35Å; D140-V142 VanDerWaalsContact C-N 3.33Å; D140-V142 PolarHBondContact O-N 3.3Å; D140-I143 PolarHBondContact O-N 3.37Å; D140-D144 WeakPolarHBondContact O-CB 3.44Å; D140-D144 PolarHBondContact O-N 3.44Å
141	E	91.1	Very high	89.2	Confident	46 Å²	46	53.3 Å²	53.3	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-38	177	-71.9	178.3	-148.2	0	0	112.7	E107 R138 L145	E107-E141 PolarHBondContact N-OE2 3.28Å; R138-E141 HydrophobicContact CB-CG 4.48Å; R138-E141 IonicContact CZ-OE1 2.9Å; R138-E141 IonicContact NH1-OE1 3.54Å; R138-E141 PolarHBondContact NH1-OE1 3.26Å; R138-E141 PolarHBondContact O-N 2.84Å; E141-L145 VanDerWaalsContact O-CB 3.31Å; E141-L145 WeakPolarHBondContact O-CB 3.27Å; E141-L145 PolarHBondContact O-N 3.02Å
142	V	90.8	Very high	89.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-69.3	-41.2	177.4	178.4	0	0	0	0	110.7	M85 V90 M106 L137 R138 S139 D140 L145 M146	M85-V142 HydrophobicContact SD-CB 4.21Å; M85-V142 HydrophobicContact SD-CG1 3.92Å; V90-V142 HydrophobicContact CG1-CG1 3.79Å; V90-V142 HydrophobicContact CG2-CG1 3.82Å; V90-V142 HydrophobicContact CG2-CG2 4.36Å; M106-V142 HydrophobicContact SD-CG2 4.46Å; L137-V142 HydrophobicContact CB-CG2 3.58Å; L137-V142 HydrophobicContact CD1-CG2 3.77Å; L137-V142 HydrophobicContact CG-CG2 4.35Å; R138-V142 WeakPolarHBondContact O-CG2 3.31Å; R138-V142 PolarHBondContact O-N 3.21Å; S139-V142 PolarHBondContact O-N 2.99Å; D140-V142 VanDerWaalsContact C-N 3.33Å; D140-V142 PolarHBondContact O-N 3.3Å; V142-L145 PolarHBondContact O-N 2.64Å; V142-M146 HydrophobicContact CG1-CE 4.06Å; V142-M146 VanDerWaalsContact O-CG 3.32Å; V142-M146 WeakPolarHBondContact O-CG 3.36Å; V142-M146 PolarHBondContact O-N 3.25Å
143	I	90.9	Very high	90.2	Very high	39 Å²	39	49.7 Å²	49.7	20%	0.2	27%	0.271	C	S	.	.	H	α-helix	trans	-64.7	-47.5	177.9	-68.7	163.9	0	0	0	110.4	M85 S139 D140 L145 M146 I147 Y157	M85-I143 HydrophobicContact CE-CD1 4.19Å; M85-I143 HydrophobicContact CE-CG1 4.13Å; S139-I143 WeakPolarHBondContact O-CD1 3.38Å; S139-I143 WeakPolarHBondContact O-CG1 3.41Å; S139-I143 PolarHBondContact O-N 3.18Å; D140-I143 PolarHBondContact O-N 3.37Å; I143-L145 VanDerWaalsContact C-N 3.26Å; I143-L145 PolarHBondContact O-N 3.35Å; I143-M146 HydrophobicContact CG1-CE 4.07Å; I143-M146 PolarHBondContact O-N 3.31Å; I143-I147 HydrophobicContact CG2-CD1 3.81Å; I143-I147 HydrophobicContact CG2-CG1 4.38Å; I143-I147 WeakPolarHBondContact O-CG1 3.48Å; I143-I147 PolarHBondContact O-N 3.22Å; I143-Y157 HydrophobicContact CG1-CE1 4.5Å
144	D	90.9	Very high	90.7	Very high	105 Å²	105	48.4 Å²	48.4	56%	0.561	25%	0.247	S	C	*	.	H	α-helix	trans	-58.5	-40.1	176.7	-77.8	-13.7	0	0	0	111.7	D140 I147 K148	D140-D144 WeakPolarHBondContact O-CB 3.44Å; D140-D144 PolarHBondContact O-N 3.44Å; D144-I147 PolarHBondContact O-N 3.27Å; D144-K148 WeakPolarHBondContact O-CB 3.48Å; D144-K148 PolarHBondContact O-N 3.45Å
145	L	91.4	Very high	90.8	Very high	18 Å²	18	50.6 Å²	50.6	9%	0.094	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-44.7	173.9	-178.6	141.6	0	0	0	112.2	L94 Y103 M106 E141 V142 I143 K148 E149 Y150	L94-L145 HydrophobicContact CD1-CD2 3.76Å; Y103-L145 HydrophobicContact CD1-CD1 3.51Å; Y103-L145 HydrophobicContact CD2-CD1 3.85Å; Y103-L145 HydrophobicContact CE1-CD1 3.53Å; Y103-L145 HydrophobicContact CE1-CG 4.39Å; Y103-L145 HydrophobicContact CE2-CD1 3.85Å; Y103-L145 HydrophobicContact CE2-CD2 4.35Å; Y103-L145 HydrophobicContact CG-CD1 3.68Å; M106-L145 HydrophobicContact CE-CB 4.09Å; M106-L145 HydrophobicContact CE-CD1 3.32Å; M106-L145 HydrophobicContact CE-CG 4.29Å; E141-L145 VanDerWaalsContact O-CB 3.31Å; E141-L145 WeakPolarHBondContact O-CB 3.27Å; E141-L145 PolarHBondContact O-N 3.02Å; V142-L145 PolarHBondContact O-N 2.64Å; I143-L145 VanDerWaalsContact C-N 3.26Å; I143-L145 PolarHBondContact O-N 3.35Å; L145-K148 PolarHBondContact O-N 3.31Å; L145-E149 PolarHBondContact O-N 3.49Å; L145-Y150 HydrophobicContact CD2-CD2 4.14Å; L145-Y150 HydrophobicContact CD2-CE2 3.98Å
146	M	91.4	Very high	90.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-41.3	177.6	-72.1	-170.1	-68.3	0	0	111.5	L70 Y93 L94 V142 I143 K148 Y150 H154 Y157	L70-M146 HydrophobicContact CD2-CE 4.42Å; L70-M146 HydrophobicContact CD2-SD 4.41Å; Y93-M146 HydrophobicContact CD1-SD 4.32Å; Y93-M146 HydrophobicContact CE1-SD 4.02Å; L94-M146 HydrophobicContact CD1-CG 4.49Å; L94-M146 HydrophobicContact CD2-CG 4.07Å; L94-M146 HydrophobicContact CD2-SD 4.36Å; V142-M146 HydrophobicContact CG1-CE 4.06Å; V142-M146 VanDerWaalsContact O-CG 3.32Å; V142-M146 WeakPolarHBondContact O-CG 3.36Å; V142-M146 PolarHBondContact O-N 3.25Å; I143-M146 HydrophobicContact CG1-CE 4.07Å; I143-M146 PolarHBondContact O-N 3.31Å; M146-K148 VanDerWaalsContact C-N 3.33Å; M146-K148 PolarHBondContact O-N 3.34Å; M146-Y150 CarbonylContact O-C 3.55Å; M146-Y150 VanDerWaalsContact O-CA 3.29Å; M146-Y150 WeakPolarHBondContact O-CA 3.44Å; M146-Y150 PolarHBondContact O-N 2.95Å; M146-Y150 VanDerWaalsContact O-O 3.06Å; M146-H154 HydrophobicContact CB-CB 3.94Å; M146-Y157 HydrophobicContact CE-CD1 3.61Å; M146-Y157 HydrophobicContact CE-CE1 3.96Å; M146-Y157 HydrophobicContact CE-CG 4.3Å
147	I	91.2	Very high	90.7	Very high	87 Å²	87	53.3 Å²	53.3	45%	0.446	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-44.9	176.6	-67.9	167.1	0	0	0	110.6	I143 D144 H154	I143-I147 HydrophobicContact CG2-CD1 3.81Å; I143-I147 HydrophobicContact CG2-CG1 4.38Å; I143-I147 WeakPolarHBondContact O-CG1 3.48Å; I143-I147 PolarHBondContact O-N 3.22Å; D144-I147 PolarHBondContact O-N 3.27Å; I147-H154 VanDerWaalsContact CG1-CD2 3.48Å; I147-H154 WeakPolarHBondContact CG1-CD2 3.46Å; I147-H154 WeakPolarHBondContact CG1-NE2 3.47Å
148	K	91	Very high	90.5	Very high	174 Å²	174	54.8 Å²	54.8	76%	0.757	29%	0.287	S	S	*	.	H	α-helix	trans	-75.8	-43.3	-173.4	-171.3	179.3	180	-176.5	0	113.5	D144 L145 M146	D144-K148 WeakPolarHBondContact O-CB 3.48Å; D144-K148 PolarHBondContact O-N 3.45Å; L145-K148 PolarHBondContact O-N 3.31Å; M146-K148 VanDerWaalsContact C-N 3.33Å; M146-K148 PolarHBondContact O-N 3.34Å
149	E	91.6	Very high	90.4	Very high	91 Å²	91	56.6 Å²	56.6	43%	0.425	30%	0.304	S	S	.	.	H	α-helix	trans	-109.8	-21	-170.5	-65.5	-168.9	-167.7	0	0	114.3	Y103 L145	Y103-E149 WeakPolarHBondContact CE1-OE2 3.32Å; Y103-E149 VanDerWaalsContact CZ-OE2 3.27Å; Y103-E149 PolarHBondContact OH-OE2 3.08Å; L145-E149 PolarHBondContact O-N 3.49Å
150	Y	90.8	Very high	90.2	Very high	42 Å²	42	58.4 Å²	58.4	17%	0.165	31%	0.313	C	S	.	.			trans	-138.3	60.3	-176.1	-52.3	-92.7	0	0	0	112.7	L94 K102 Y103 L145 M146 S152 K153 H154	L94-Y150 HydrophobicContact CD1-CD2 4.32Å; L94-Y150 HydrophobicContact CD1-CE2 4.19Å; L94-Y150 HydrophobicContact CD2-CD1 4.45Å; L94-Y150 HydrophobicContact CD2-CD2 4.03Å; L94-Y150 HydrophobicContact CD2-CG 4Å; K102-Y150 WeakPolarHBondContact CE-OH 3.48Å; K102-Y150 PolarHBondContact NZ-OH 2.85Å; Y103-Y150 VanDerWaalsContact OH-CE2 3.31Å; Y103-Y150 WeakPolarHBondContact OH-CE2 3.38Å; Y103-Y150 PolarHBondContact OH-OH 3.3Å; L145-Y150 HydrophobicContact CD2-CD2 4.14Å; L145-Y150 HydrophobicContact CD2-CE2 3.98Å; M146-Y150 CarbonylContact O-C 3.55Å; M146-Y150 VanDerWaalsContact O-CA 3.29Å; M146-Y150 WeakPolarHBondContact O-CA 3.44Å; M146-Y150 PolarHBondContact O-N 2.95Å; M146-Y150 VanDerWaalsContact O-O 3.06Å; Y150-S152 VanDerWaalsContact C-N 3.26Å; Y150-S152 PolarHBondContact O-N 2.68Å; Y150-S152 VanDerWaalsContact O-N 3.15Å; Y150-K153 PolarHBondContact O-N 3.18Å; Y150-H154 PolarHBondContact O-N 2.98Å
151	P	90.6	Very high	90	Very high	83 Å²	83	57.6 Å²	57.6	54%	0.539	31%	0.308	S	S	.	.	H	α-helix	trans	-57.6	-35.2	-173.2	21.9	-33.8	0	0	0	113.6	H154 A155	P151-H154 PolarHBondContact O-N 3.48Å; P151-A155 WeakPolarHBondContact O-CB 3.41Å; P151-A155 PolarHBondContact O-N 3.41Å
152	S	88.8	Confident	89.7	Confident	89 Å²	89	62 Å²	62	62%	0.622	33%	0.329	S	S	*	.	H	α-helix	trans	-65.4	-41.6	175.7	-49.7	0	0	0	0	112.5	Y150 A155 E156	Y150-S152 VanDerWaalsContact C-N 3.26Å; Y150-S152 PolarHBondContact O-N 2.68Å; Y150-S152 VanDerWaalsContact O-N 3.15Å; S152-A155 PolarHBondContact O-N 3.43Å; S152-E156 PolarHBondContact O-N 2.92Å; S152-E156 VanDerWaalsContact O-N 3.11Å
153	K	88.4	Confident	89.5	Confident	51 Å²	51	64.7 Å²	64.7	22%	0.222	34%	0.342	C	S	.	.	H	α-helix	trans	-70.7	-34.7	176.1	-69.1	-68.1	-175.2	-179.7	0	111.8	Y93 L94 Y150 E156 Y157	Y93-K153 HydrophobicContact CE1-CB 3.89Å; Y93-K153 HydrophobicContact CE1-CD 4.22Å; Y93-K153 HydrophobicContact CE2-CD 4.06Å; Y93-K153 PolarHBondContact OH-O 3.37Å; L94-K153 HydrophobicContact CD2-CB 4.25Å; L94-K153 HydrophobicContact CD2-CG 4.49Å; Y150-K153 PolarHBondContact O-N 3.18Å; K153-E156 IonicContact NZ-OE2 3.52Å; K153-Y157 WeakPolarHBondContact O-CB 3.39Å; K153-Y157 PolarHBondContact O-N 3.49Å
154	H	91.1	Very high	89.2	Confident	42 Å²	42	66.6 Å²	66.6	19%	0.194	35%	0.346	C	S	.	.	H	α-helix	trans	-63.3	-42.2	171.5	178.7	-100.1	0	0	0	111.7	M146 I147 Y150 P151 Y157 S158	M146-H154 HydrophobicContact CB-CB 3.94Å; I147-H154 VanDerWaalsContact CG1-CD2 3.48Å; I147-H154 WeakPolarHBondContact CG1-CD2 3.46Å; I147-H154 WeakPolarHBondContact CG1-NE2 3.47Å; Y150-H154 PolarHBondContact O-N 2.98Å; P151-H154 PolarHBondContact O-N 3.48Å; H154-Y157 PolarHBondContact O-N 3.4Å; H154-S158 PolarHBondContact CE1-OG 3.03Å; H154-S158 PolarHBondContact ND1-OG 3.4Å; H154-S158 PolarHBondContact NE2-OG 3.39Å; H154-S158 WeakPolarHBondContact O-CB 3.21Å; H154-S158 PolarHBondContact O-N 2.93Å; H154-S158 PolarHBondContact O-OG 3.34Å
155	A	89.9	Confident	88.9	Confident	53 Å²	53	64.9 Å²	64.9	44%	0.438	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-46.1	177.8	0	0	0	0	0	111.7	P151 S152 Y157 S158 V159	P151-A155 WeakPolarHBondContact O-CB 3.41Å; P151-A155 PolarHBondContact O-N 3.41Å; S152-A155 PolarHBondContact O-N 3.43Å; A155-Y157 VanDerWaalsContact C-N 3.35Å; A155-Y157 PolarHBondContact O-N 3.23Å; A155-S158 PolarHBondContact O-N 3.2Å; A155-V159 PolarHBondContact O-N 3.17Å
156	E	89.4	Confident	88.6	Confident	75 Å²	75	71.5 Å²	71.5	35%	0.35	36%	0.359	S	S	.	.	H	α-helix	trans	-56.3	-47.6	172.9	-74.9	174.4	-144.2	0	0	111.6	A67 Y93 S152 K153 S158 V159 I160	A67-E156 HydrophobicContact CB-CB 4.37Å; Y93-E156 WeakPolarHBondContact OH-CB 3.35Å; S152-E156 PolarHBondContact O-N 2.92Å; S152-E156 VanDerWaalsContact O-N 3.11Å; K153-E156 IonicContact NZ-OE2 3.52Å; E156-S158 PolarHBondContact O-N 3.47Å; E156-V159 PolarHBondContact O-N 3.45Å; E156-I160 PolarHBondContact O-N 3.05Å
157	Y	88.7	Confident	88.3	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-67.3	-35.5	179.9	-175.9	-115.6	0	0	0	113.2	L70 M85 I143 M146 K153 H154 A155 V159 I160 L161	L70-Y157 HydrophobicContact CB-CD2 4.16Å; L70-Y157 HydrophobicContact CB-CE2 3.8Å; L70-Y157 HydrophobicContact CD2-CD2 3.8Å; L70-Y157 HydrophobicContact CD2-CE1 4.41Å; L70-Y157 HydrophobicContact CD2-CE2 3.63Å; L70-Y157 HydrophobicContact CD2-CG 4.29Å; L70-Y157 HydrophobicContact CG-CD2 4.37Å; L70-Y157 HydrophobicContact CG-CE2 3.85Å; M85-Y157 HydrophobicContact CE-CE1 3.89Å; M85-Y157 WeakPolarHBondContact CE-OH 3.36Å; I143-Y157 HydrophobicContact CG1-CE1 4.5Å; M146-Y157 HydrophobicContact CE-CD1 3.61Å; M146-Y157 HydrophobicContact CE-CE1 3.96Å; M146-Y157 HydrophobicContact CE-CG 4.3Å; K153-Y157 WeakPolarHBondContact O-CB 3.39Å; K153-Y157 PolarHBondContact O-N 3.49Å; H154-Y157 PolarHBondContact O-N 3.4Å; A155-Y157 VanDerWaalsContact C-N 3.35Å; A155-Y157 PolarHBondContact O-N 3.23Å; Y157-V159 VanDerWaalsContact C-N 3.31Å; Y157-V159 PolarHBondContact O-N 2.88Å; Y157-I160 WeakPolarHBondContact O-CB 3.22Å; Y157-I160 PolarHBondContact O-N 3.33Å; Y157-I160 VanDerWaalsContact O-N 3.14Å; Y157-L161 HydrophobicContact CD1-CD1 3.92Å; Y157-L161 HydrophobicContact CD1-CG 4.21Å; Y157-L161 HydrophobicContact CE1-CD1 3.49Å; Y157-L161 VanDerWaalsContact CE1-CD1 3.49Å; Y157-L161 HydrophobicContact CE1-CD2 4.16Å; Y157-L161 HydrophobicContact CE1-CG 3.77Å; Y157-L161 HydrophobicContact CE2-CD2 4.48Å; Y157-L161 HydrophobicContact CE2-CG 4.39Å; Y157-L161 PolarHBondContact O-N 3.28Å
158	S	88.2	Confident	88.1	Confident	30 Å²	30	78.4 Å²	78.4	21%	0.21	38%	0.383	C	S	.	.	H	α-helix	trans	-61.5	-39.5	178.3	-64.6	0	0	0	0	112	H154 A155 E156 I160 L161 Q162	H154-S158 PolarHBondContact CE1-OG 3.03Å; H154-S158 PolarHBondContact ND1-OG 3.4Å; H154-S158 PolarHBondContact NE2-OG 3.39Å; H154-S158 WeakPolarHBondContact O-CB 3.21Å; H154-S158 PolarHBondContact O-N 2.93Å; H154-S158 PolarHBondContact O-OG 3.34Å; A155-S158 PolarHBondContact O-N 3.2Å; E156-S158 PolarHBondContact O-N 3.47Å; S158-I160 VanDerWaalsContact C-N 3.34Å; S158-L161 PolarHBondContact O-N 2.96Å; S158-Q162 WeakPolarHBondContact O-CG 3.36Å; S158-Q162 PolarHBondContact O-N 3.03Å
159	V	89.2	Confident	87.7	Confident	92 Å²	92	74.5 Å²	74.5	56%	0.558	37%	0.369	S	S	*	.	H	α-helix	trans	-63.6	-41.9	175.6	175.5	0	0	0	0	110.7	A155 E156 Y157 Q162 E163	A155-V159 PolarHBondContact O-N 3.17Å; E156-V159 PolarHBondContact O-N 3.45Å; Y157-V159 VanDerWaalsContact C-N 3.31Å; Y157-V159 PolarHBondContact O-N 2.88Å; V159-Q162 PolarHBondContact O-N 3.32Å; V159-E163 WeakPolarHBondContact O-CB 3.47Å; V159-E163 PolarHBondContact O-N 3.38Å
160	I	88.1	Confident	87.5	Confident	42 Å²	42	72.9 Å²	72.9	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-63.8	-41.9	176.9	-62.2	-56.4	0	0	0	111.6	A67 E68 E156 Y157 S158 E163 R164	A67-I160 HydrophobicContact CB-CG1 3.84Å; E68-I160 HydrophobicContact CB-CD1 4.35Å; E156-I160 PolarHBondContact O-N 3.05Å; Y157-I160 WeakPolarHBondContact O-CB 3.22Å; Y157-I160 PolarHBondContact O-N 3.33Å; Y157-I160 VanDerWaalsContact O-N 3.14Å; S158-I160 VanDerWaalsContact C-N 3.34Å; I160-E163 PolarHBondContact O-N 3.46Å; I160-R164 HydrophobicContact CG2-CG 4.45Å; I160-R164 WeakPolarHBondContact O-CG 3.42Å; I160-R164 PolarHBondContact O-N 3.24Å
161	L	85.8	Confident	87.3	Confident	50 Å²	50	77.9 Å²	77.9	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-46.5	175.9	-77.3	179.9	0	0	0	111.7	Y157 S158 E163 R164 E165	Y157-L161 HydrophobicContact CD1-CD1 3.92Å; Y157-L161 HydrophobicContact CD1-CG 4.21Å; Y157-L161 HydrophobicContact CE1-CD1 3.49Å; Y157-L161 VanDerWaalsContact CE1-CD1 3.49Å; Y157-L161 HydrophobicContact CE1-CD2 4.16Å; Y157-L161 HydrophobicContact CE1-CG 3.77Å; Y157-L161 HydrophobicContact CE2-CD2 4.48Å; Y157-L161 HydrophobicContact CE2-CG 4.39Å; Y157-L161 PolarHBondContact O-N 3.28Å; S158-L161 PolarHBondContact O-N 2.96Å; L161-E163 VanDerWaalsContact C-N 3.31Å; L161-E163 PolarHBondContact O-N 3.48Å; L161-R164 PolarHBondContact O-N 3.08Å; L161-E165 WeakPolarHBondContact O-CB 3.47Å; L161-E165 PolarHBondContact O-N 3.23Å
162	Q	85.8	Confident	86.9	Confident	140 Å²	140	80 Å²	80	65%	0.654	40%	0.397	S	S	*	.	H	α-helix	trans	-61.7	-40.5	176.9	-71	176.4	6.3	0	0	111.9	S158 V159 E165 R166	S158-Q162 WeakPolarHBondContact O-CG 3.36Å; S158-Q162 PolarHBondContact O-N 3.03Å; V159-Q162 PolarHBondContact O-N 3.32Å; Q162-E165 PolarHBondContact O-N 3.5Å; Q162-R166 WeakPolarHBondContact O-CB 3.47Å; Q162-R166 PolarHBondContact O-N 2.92Å
163	E	86.8	Confident	86.5	Confident	56 Å²	56	82.2 Å²	82.2	26%	0.262	39%	0.392	S	S	.	.	H	α-helix	trans	-65.5	-45	177.9	-176.3	55.2	-142.1	0	0	111.9	V159 I160 L161 E165 R166 Q167	V159-E163 WeakPolarHBondContact O-CB 3.47Å; V159-E163 PolarHBondContact O-N 3.38Å; I160-E163 PolarHBondContact O-N 3.46Å; L161-E163 VanDerWaalsContact C-N 3.31Å; L161-E163 PolarHBondContact O-N 3.48Å; E163-E165 VanDerWaalsContact C-N 3.34Å; E163-E165 PolarHBondContact O-N 3.35Å; E163-R166 WeakPolarHBondContact O-CB 3.17Å; E163-R166 PolarHBondContact O-N 3.45Å; E163-R166 IonicContact OE1-CZ 3.16Å; E163-R166 IonicContact OE1-NE 2.72Å; E163-R166 PolarHBondContact OE1-NE 3.07Å; E163-R166 IonicContact OE1-NH2 3.78Å; E163-R166 PolarHBondContact OE1-NH2 2.79Å; E163-R166 IonicContact OE2-CZ 2.69Å; E163-R166 IonicContact OE2-NE 3.74Å; E163-R166 PolarHBondContact OE2-NE 3.36Å; E163-R166 IonicContact OE2-NH1 2.74Å; E163-R166 IonicContact OE2-NH2 2.67Å; E163-R166 PolarHBondContact OE2-NH2 2.47Å; E163-Q167 VanDerWaalsContact O-CG 3.31Å; E163-Q167 WeakPolarHBondContact O-CG 3.49Å; E163-Q167 PolarHBondContact O-N 2.92Å; E163-Q167 PolarHBondContact OE1-NE2 2.99Å; E163-Q167 VanDerWaalsContact OE1-NE2 3.1Å
164	R	84.5	Confident	86.2	Confident	78 Å²	78	82.2 Å²	82.2	29%	0.294	40%	0.399	S	S	.	.	H	α-helix	trans	-61.7	-42.3	175.8	-75.4	177.5	177.3	169.5	0.1	111.7	E68 L70 I160 L161 Q167 R168	E68-R164 PolarHBondContact O-NH2 2.85Å; L70-R164 PolarHBondContact O-NH1 2.88Å; L70-R164 PolarHBondContact O-NH2 3.1Å; I160-R164 HydrophobicContact CG2-CG 4.45Å; I160-R164 WeakPolarHBondContact O-CG 3.42Å; I160-R164 PolarHBondContact O-N 3.24Å; L161-R164 PolarHBondContact O-N 3.08Å; R164-Q167 PolarHBondContact O-N 3.03Å; R164-R168 PolarHBondContact O-N 2.82Å
165	E	84.6	Confident	85.8	Confident	69 Å²	69	85.6 Å²	85.6	32%	0.322	42%	0.415	S	S	.	.	H	α-helix	trans	-63.3	-45.5	176.4	-176.1	54	-141.1	0	0	111.4	L161 Q162 E163 Q167 R168 I169	L161-E165 WeakPolarHBondContact O-CB 3.47Å; L161-E165 PolarHBondContact O-N 3.23Å; Q162-E165 PolarHBondContact O-N 3.5Å; E163-E165 VanDerWaalsContact C-N 3.34Å; E163-E165 PolarHBondContact O-N 3.35Å; E165-Q167 VanDerWaalsContact C-N 3.29Å; E165-Q167 PolarHBondContact O-N 3.49Å; E165-R168 WeakPolarHBondContact O-CB 3.46Å; E165-R168 PolarHBondContact O-N 2.85Å; E165-R168 VanDerWaalsContact O-N 3.12Å; E165-R168 IonicContact OE1-CZ 2.77Å; E165-R168 VanDerWaalsContact OE1-CZ 3.29Å; E165-R168 IonicContact OE1-NE 3.86Å; E165-R168 PolarHBondContact OE1-NE 3.5Å; E165-R168 IonicContact OE1-NH2 2.71Å; E165-R168 PolarHBondContact OE1-NH2 3.31Å; E165-R168 IonicContact OE2-CZ 3.95Å; E165-R168 IonicContact OE2-NE 2.74Å; E165-R168 PolarHBondContact OE2-NE 3.29Å; E165-R168 VanDerWaalsContact OE2-NE 3.14Å; E165-R168 IonicContact OE2-NH1 2.74Å; E165-R168 IonicContact OE2-NH2 3.08Å; E165-R168 PolarHBondContact OE2-NH2 3.31Å; E165-I169 HydrophobicContact CG-CD1 4.16Å; E165-I169 WeakPolarHBondContact O-CG1 3.02Å; E165-I169 PolarHBondContact O-N 3.48Å
166	R	84.3	Confident	85.1	Confident	158 Å²	158	88.5 Å²	88.5	60%	0.596	42%	0.42	S	S	*	.	H	α-helix	trans	-57.5	-42.6	174.8	-172.1	-177.8	75	167.7	7	111.7	Q162 E163 A170	Q162-R166 WeakPolarHBondContact O-CB 3.47Å; Q162-R166 PolarHBondContact O-N 2.92Å; E163-R166 WeakPolarHBondContact O-CB 3.17Å; E163-R166 PolarHBondContact O-N 3.45Å; E163-R166 IonicContact OE1-CZ 3.16Å; E163-R166 IonicContact OE1-NE 2.72Å; E163-R166 PolarHBondContact OE1-NE 3.07Å; E163-R166 IonicContact OE1-NH2 3.78Å; E163-R166 PolarHBondContact OE1-NH2 2.79Å; E163-R166 IonicContact OE2-CZ 2.69Å; E163-R166 IonicContact OE2-NE 3.74Å; E163-R166 PolarHBondContact OE2-NE 3.36Å; E163-R166 IonicContact OE2-NH1 2.74Å; E163-R166 IonicContact OE2-NH2 2.67Å; E163-R166 PolarHBondContact OE2-NH2 2.47Å; R166-A170 VanDerWaalsContact O-CB 3.29Å; R166-A170 WeakPolarHBondContact O-CB 3.16Å; R166-A170 PolarHBondContact O-N 2.79Å
167	Q	85.4	Confident	84	Confident	90 Å²	90	90 Å²	90	42%	0.421	43%	0.428	S	S	.	.	H	α-helix	trans	-66.8	-37.6	176.7	-72	175.5	18.9	0	0	112.5	E163 R164 E165 A170 K171	E163-Q167 VanDerWaalsContact O-CG 3.31Å; E163-Q167 WeakPolarHBondContact O-CG 3.49Å; E163-Q167 PolarHBondContact O-N 2.92Å; E163-Q167 PolarHBondContact OE1-NE2 2.99Å; E163-Q167 VanDerWaalsContact OE1-NE2 3.1Å; R164-Q167 PolarHBondContact O-N 3.03Å; E165-Q167 VanDerWaalsContact C-N 3.29Å; E165-Q167 PolarHBondContact O-N 3.49Å; Q167-A170 PolarHBondContact O-N 3.27Å; Q167-K171 WeakPolarHBondContact O-CB 3.24Å; Q167-K171 VanDerWaalsContact O-CG 3.3Å; Q167-K171 WeakPolarHBondContact O-CG 3.35Å; Q167-K171 PolarHBondContact O-N 2.84Å
168	R	86.6	Confident	83	Confident	141 Å²	141	97 Å²	97	53%	0.532	46%	0.46	S	S	.	.	H	α-helix	trans	-61.6	-51	174.8	-174.7	179.8	71.1	162.5	5.1	110.8	R164 E165 A170 K171 E172	R164-R168 PolarHBondContact O-N 2.82Å; E165-R168 WeakPolarHBondContact O-CB 3.46Å; E165-R168 PolarHBondContact O-N 2.85Å; E165-R168 VanDerWaalsContact O-N 3.12Å; E165-R168 IonicContact OE1-CZ 2.77Å; E165-R168 VanDerWaalsContact OE1-CZ 3.29Å; E165-R168 IonicContact OE1-NE 3.86Å; E165-R168 PolarHBondContact OE1-NE 3.5Å; E165-R168 IonicContact OE1-NH2 2.71Å; E165-R168 PolarHBondContact OE1-NH2 3.31Å; E165-R168 IonicContact OE2-CZ 3.95Å; E165-R168 IonicContact OE2-NE 2.74Å; E165-R168 PolarHBondContact OE2-NE 3.29Å; E165-R168 VanDerWaalsContact OE2-NE 3.14Å; E165-R168 IonicContact OE2-NH1 2.74Å; E165-R168 IonicContact OE2-NH2 3.08Å; E165-R168 PolarHBondContact OE2-NH2 3.31Å; R168-A170 VanDerWaalsContact C-N 3.3Å; R168-A170 PolarHBondContact O-N 3.46Å; R168-K171 PolarHBondContact O-N 2.78Å; R168-E172 WeakPolarHBondContact O-CB 3.12Å; R168-E172 PolarHBondContact O-N 3.43Å
169	I	84.2	Confident	81.7	Confident	93 Å²	93	102.9 Å²	102.9	48%	0.477	48%	0.484	S	S	.	.	H	α-helix	trans	-59.2	-43.4	176.7	-65.4	168.9	0	0	0	110.5	E165 K171 E172 Y173	E165-I169 HydrophobicContact CG-CD1 4.16Å; E165-I169 WeakPolarHBondContact O-CG1 3.02Å; E165-I169 PolarHBondContact O-N 3.48Å; I169-K171 PolarHBondContact O-N 2.95Å; I169-E172 PolarHBondContact O-N 3.44Å; I169-Y173 VanDerWaalsContact O-CB 3.25Å; I169-Y173 WeakPolarHBondContact O-CB 3.44Å; I169-Y173 PolarHBondContact O-N 3.46Å
170	A	86.4	Confident	79.9	Confident	56 Å²	56	103 Å²	103	46%	0.463	48%	0.482	S	S	.	.	H	α-helix	trans	-63.9	-40.6	178.1	0	0	0	0	0	112.6	R166 Q167 R168 Y173 S174	R166-A170 VanDerWaalsContact O-CB 3.29Å; R166-A170 WeakPolarHBondContact O-CB 3.16Å; R166-A170 PolarHBondContact O-N 2.79Å; Q167-A170 PolarHBondContact O-N 3.27Å; R168-A170 VanDerWaalsContact C-N 3.3Å; R168-A170 PolarHBondContact O-N 3.46Å; A170-Y173 PolarHBondContact O-N 2.83Å; A170-S174 WeakPolarHBondContact O-CB 3.28Å; A170-S174 PolarHBondContact O-N 3.41Å
171	K	86.3	Confident	78.1	Confident	147 Å²	147	105.9 Å²	105.9	64%	0.639	50%	0.503	S	S	*	.	H	α-helix	trans	-65	-45.1	175.3	-76.9	173.8	-177.2	174.7	0	111.5	Q167 R168 I169 S174 Q175	Q167-K171 WeakPolarHBondContact O-CB 3.24Å; Q167-K171 VanDerWaalsContact O-CG 3.3Å; Q167-K171 WeakPolarHBondContact O-CG 3.35Å; Q167-K171 PolarHBondContact O-N 2.84Å; R168-K171 PolarHBondContact O-N 2.78Å; I169-K171 PolarHBondContact O-N 2.95Å; K171-S174 PolarHBondContact O-N 3.37Å; K171-Q175 WeakPolarHBondContact O-CB 3.4Å; K171-Q175 PolarHBondContact O-N 3.4Å
172	E	83.4	Confident	76.7	Confident	129 Å²	129	107.8 Å²	107.8	60%	0.603	51%	0.511	S	S	*	.	H	α-helix	trans	-62.1	-44.4	176.5	-172.2	177	-177.1	0	0	111.2	R168 I169 S174 Q175 M176	R168-E172 WeakPolarHBondContact O-CB 3.12Å; R168-E172 PolarHBondContact O-N 3.43Å; I169-E172 PolarHBondContact O-N 3.44Å; E172-S174 PolarHBondContact O-N 2.96Å; E172-Q175 PolarHBondContact O-N 3.36Å; E172-M176 WeakPolarHBondContact O-CB 3.39Å; E172-M176 PolarHBondContact O-N 3.14Å
173	Y	79.8	Confident	75.3	Confident	135 Å²	135	110.4 Å²	110.4	53%	0.529	52%	0.52	S	S	.	.	H	α-helix	trans	-61.8	-43	175.2	-172.8	-101.1	0	0	0	112.2	I169 A170 M176 Q177	I169-Y173 VanDerWaalsContact O-CB 3.25Å; I169-Y173 WeakPolarHBondContact O-CB 3.44Å; I169-Y173 PolarHBondContact O-N 3.46Å; A170-Y173 PolarHBondContact O-N 2.83Å; Y173-M176 HydrophobicContact CD2-CE 3.87Å; Y173-M176 HydrophobicContact CE2-CE 4.16Å; Y173-M176 PolarHBondContact O-N 2.94Å; Y173-Q177 HydrophobicContact CD1-CG 4.49Å; Y173-Q177 HydrophobicContact CE1-CG 4.19Å; Y173-Q177 WeakPolarHBondContact O-CG 3.49Å; Y173-Q177 PolarHBondContact O-N 3.33Å; Y173-Q177 PolarHBondContact OH-NE2 2.87Å
174	S	82.8	Confident	74	Confident	50 Å²	50	111.6 Å²	111.6	35%	0.35	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-41.3	174.1	-179.7	0	0	0	0	111.9	A170 K171 E172 Q177 Q178	A170-S174 WeakPolarHBondContact O-CB 3.28Å; A170-S174 PolarHBondContact O-N 3.41Å; K171-S174 PolarHBondContact O-N 3.37Å; E172-S174 PolarHBondContact O-N 2.96Å; S174-Q177 PolarHBondContact O-N 2.94Å; S174-Q178 VanDerWaalsContact O-CG 3.32Å; S174-Q178 WeakPolarHBondContact O-CG 3.43Å; S174-Q178 PolarHBondContact O-N 2.99Å
175	Q	82.1	Confident	73	Confident	114 Å²	114	113 Å²	113	53%	0.533	54%	0.541	S	S	.	.	H	α-helix	trans	-66.2	-41.3	177.8	-171.6	175.7	16.9	0	0	111.2	K171 E172 Q178 Q179	K171-Q175 WeakPolarHBondContact O-CB 3.4Å; K171-Q175 PolarHBondContact O-N 3.4Å; E172-Q175 PolarHBondContact O-N 3.36Å; Q175-Q178 PolarHBondContact O-N 3.26Å; Q175-Q179 WeakPolarHBondContact O-CG 3.43Å; Q175-Q179 PolarHBondContact O-N 2.74Å
176	M	73.9	Confident	72.2	Confident	113 Å²	113	113.9 Å²	113.9	56%	0.557	56%	0.56	S	S	*	*	H	α-helix	trans	-64.1	-39.6	174.5	-172.8	176.8	60.6	0	0	111.8	E172 Y173 Q179 N180	E172-M176 WeakPolarHBondContact O-CB 3.39Å; E172-M176 PolarHBondContact O-N 3.14Å; Y173-M176 HydrophobicContact CD2-CE 3.87Å; Y173-M176 HydrophobicContact CE2-CE 4.16Å; Y173-M176 PolarHBondContact O-N 2.94Å; M176-Q179 PolarHBondContact O-N 3.01Å; M176-N180 PolarHBondContact O-N 3.22Å; M176-N180 VanDerWaalsContact O-N 3.09Å
177	Q	68.1	Low	71.8	Confident	108 Å²	108	111.4 Å²	111.4	51%	0.505	57%	0.567	S	S	.	*	H	α-helix	trans	-64.4	-38.2	172.4	-79.6	-170	-4.1	0	0	112.6	Y173 S174 N180	Y173-Q177 HydrophobicContact CD1-CG 4.49Å; Y173-Q177 HydrophobicContact CE1-CG 4.19Å; Y173-Q177 WeakPolarHBondContact O-CG 3.49Å; Y173-Q177 PolarHBondContact O-N 3.33Å; Y173-Q177 PolarHBondContact OH-NE2 2.87Å; S174-Q177 PolarHBondContact O-N 2.94Å; Q177-N180 CarbonylContact O-C 3.6Å; Q177-N180 VanDerWaalsContact O-C 3.23Å; Q177-N180 PolarHBondContact O-N 2.71Å
178	Q	67.5	Low	71.5	Confident	147 Å²	147	111.1 Å²	111.1	69%	0.687	56%	0.564	S	S	*	*	H	α-helix	trans	-72.8	-30	178	-74	175.3	17.5	0	0	113.4	S174 Q175 N180 P181	S174-Q178 VanDerWaalsContact O-CG 3.32Å; S174-Q178 WeakPolarHBondContact O-CG 3.43Å; S174-Q178 PolarHBondContact O-N 2.99Å; Q175-Q178 PolarHBondContact O-N 3.26Å; Q178-N180 VanDerWaalsContact C-N 3.34Å; Q178-P181 WeakPolarHBondContact O-CD 3.14Å
179	Q	60.1	Low	71.2	Confident	153 Å²	153	107.1 Å²	107.1	72%	0.715	56%	0.555	S	S	*	*	H	α-helix	trans	-77.8	-20.9	173.2	-75.3	-177.4	-2.7	0	0	112.8	Q175 M176 P181	Q175-Q179 WeakPolarHBondContact O-CG 3.43Å; Q175-Q179 PolarHBondContact O-N 2.74Å; M176-Q179 PolarHBondContact O-N 3.01Å; Q179-P181 WeakPolarHBondContact O-CD 3.48Å
180	N	51.3	Low	71.2	Confident	95 Å²	95	106.7 Å²	106.7	51%	0.508	56%	0.559	S	S	.	*			trans	-121.7	65.7	175.1	-162.9	13.1	0	0	0	112	M176 Q177 Q178 Q182	M176-N180 PolarHBondContact O-N 3.22Å; M176-N180 VanDerWaalsContact O-N 3.09Å; Q177-N180 CarbonylContact O-C 3.6Å; Q177-N180 VanDerWaalsContact O-C 3.23Å; Q177-N180 PolarHBondContact O-N 2.71Å; Q178-N180 VanDerWaalsContact C-N 3.34Å; N180-Q182 PolarHBondContact O-N 3.02Å; N180-Q182 WeakPolarHBondContact OD1-CG 3.27Å
181	P	50.8	Low	71.1	Confident	101 Å²	101	110.3 Å²	110.3	66%	0.656	57%	0.566	S	S	*	*			trans	-75.1	70.6	161.7	33.8	-27.7	0	0	0	106.1	Q178 Q179 K183	Q178-P181 WeakPolarHBondContact O-CD 3.14Å; Q179-P181 WeakPolarHBondContact O-CD 3.48Å; P181-K183 PolarHBondContact O-N 3.39Å
182	Q	56.1	Low	71	Confident	91 Å²	91	106.3 Å²	106.3	43%	0.425	55%	0.547	S	S	.	.			trans	-59.1	93.9	157.5	-99.6	176.9	-1.4	0	0	104.7	N180 V184 Y192	N180-Q182 PolarHBondContact O-N 3.02Å; N180-Q182 WeakPolarHBondContact OD1-CG 3.27Å; Q182-V184 HydrophobicContact CB-CG2 4.3Å; Q182-V184 VanDerWaalsContact O-CG2 3.3Å; Q182-V184 WeakPolarHBondContact O-CG2 3.44Å; Q182-V184 PolarHBondContact O-N 3.17Å; Q182-Y192 VanDerWaalsContact NE2-CE1 3.31Å; Q182-Y192 PolarHBondContact NE2-OH 3.45Å
183	K	56.4	Low	71.2	Confident	194 Å²	194	105.5 Å²	105.5	84%	0.843	55%	0.546	S	S	*	.			trans	-55.3	91.8	149.7	-83.1	-177.2	177.2	178.1	0	103.3	P181 E185	P181-K183 PolarHBondContact O-N 3.39Å; K183-E185 PolarHBondContact O-N 3.03Å
184	V	59	Low	71.7	Confident	81 Å²	81	106.8 Å²	106.8	49%	0.491	55%	0.554	S	S	.	*			trans	-63.5	97.5	-176.7	-169.1	0	0	0	0	104.9	Q182 A186 V189 Y192	Q182-V184 HydrophobicContact CB-CG2 4.3Å; Q182-V184 VanDerWaalsContact O-CG2 3.3Å; Q182-V184 WeakPolarHBondContact O-CG2 3.44Å; Q182-V184 PolarHBondContact O-N 3.17Å; V184-A186 PolarHBondContact O-N 2.77Å; V184-A186 VanDerWaalsContact O-N 3.13Å; V184-V189 HydrophobicContact CG1-CG2 3.58Å; V184-Y192 HydrophobicContact CG1-CD2 3.68Å; V184-Y192 HydrophobicContact CG1-CE2 3.78Å
185	E	63.7	Low	72.1	Confident	108 Å²	108	108.7 Å²	108.7	51%	0.505	56%	0.558	S	S	.	*			trans	-57.6	122.8	174.4	-73.2	-177.2	149.4	0	0	106	K183 S187 K188 V189	K183-E185 PolarHBondContact O-N 3.03Å; E185-S187 PolarHBondContact O-N 2.92Å; E185-K188 HydrophobicContact CB-CD 4.49Å; E185-K188 PolarHBondContact O-N 3.32Å; E185-K188 VanDerWaalsContact OE2-CE 3.31Å; E185-K188 WeakPolarHBondContact OE2-CE 3.33Å; E185-K188 IonicContact OE2-NZ 2.99Å; E185-K188 PolarHBondContact OE2-NZ 2.91Å; E185-V189 PolarHBondContact O-N 3.48Å
186	A	68.8	Low	72.5	Confident	87 Å²	87	106.1 Å²	106.1	72%	0.719	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-25.4	-175.7	0	0	0	0	0	112.4	V184	V184-A186 PolarHBondContact O-N 2.77Å; V184-A186 VanDerWaalsContact O-N 3.13Å
187	S	74.5	Confident	73.4	Confident	107 Å²	107	103.5 Å²	103.5	75%	0.748	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-26.5	175.6	-164.6	0	0	0	0	114.6	E185	E185-S187 PolarHBondContact O-N 2.92Å
188	K	80.1	Confident	74.7	Confident	83 Å²	83	104.7 Å²	104.7	36%	0.361	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.8	-7.2	-178.3	-69	176.6	178	149.5	0	113.2	E185 P190 E191 Y192	E185-K188 HydrophobicContact CB-CD 4.49Å; E185-K188 PolarHBondContact O-N 3.32Å; E185-K188 VanDerWaalsContact OE2-CE 3.31Å; E185-K188 WeakPolarHBondContact OE2-CE 3.33Å; E185-K188 IonicContact OE2-NZ 2.99Å; E185-K188 PolarHBondContact OE2-NZ 2.91Å; K188-P190 VanDerWaalsContact C-CD 3.42Å; K188-P190 VanDerWaalsContact C-N 3.31Å; K188-E191 WeakPolarHBondContact O-CA 3.44Å; K188-E191 WeakPolarHBondContact O-CB 3.21Å; K188-E191 PolarHBondContact O-N 3.44Å; K188-Y192 HydrophobicContact CB-CD2 4.07Å; K188-Y192 HydrophobicContact CB-CE2 3.57Å; K188-Y192 WeakPolarHBondContact O-CD2 3.42Å; K188-Y192 PolarHBondContact O-N 3.15Å
189	V	80.1	Confident	76.1	Confident	57 Å²	57	103.6 Å²	103.6	35%	0.345	55%	0.548	S	S	.	.	H	α-helix	trans	-49.9	-44.1	175.4	176.6	0	0	0	0	112.7	V184 E185 E191 Y192 I193	V184-V189 HydrophobicContact CG1-CG2 3.58Å; E185-V189 PolarHBondContact O-N 3.48Å; V189-E191 VanDerWaalsContact C-N 3.3Å; V189-E191 PolarHBondContact O-N 3.22Å; V189-Y192 PolarHBondContact O-N 3.05Å; V189-I193 HydrophobicContact CG1-CD1 3.82Å; V189-I193 HydrophobicContact CG1-CG1 4.39Å; V189-I193 VanDerWaalsContact O-CG1 3.28Å; V189-I193 WeakPolarHBondContact O-CG1 3.45Å; V189-I193 PolarHBondContact O-N 3.43Å
190	P	84.2	Confident	77.7	Confident	85 Å²	85	98.6 Å²	98.6	55%	0.552	53%	0.534	S	S	*	.	H	α-helix	trans	-63.5	-34.4	176.9	-22.1	34.9	0	0	0	113.4	K188 K194	K188-P190 VanDerWaalsContact C-CD 3.42Å; K188-P190 VanDerWaalsContact C-N 3.31Å; P190-K194 WeakPolarHBondContact O-CB 3.19Å; P190-K194 PolarHBondContact O-N 3.1Å
191	E	84.1	Confident	79.8	Confident	131 Å²	131	96.8 Å²	96.8	61%	0.612	53%	0.532	S	S	*	.	H	α-helix	trans	-69.4	-43.2	176.6	-63.2	-175.7	160	0	0	111	K188 V189 I193 K194 E195	K188-E191 WeakPolarHBondContact O-CA 3.44Å; K188-E191 WeakPolarHBondContact O-CB 3.21Å; K188-E191 PolarHBondContact O-N 3.44Å; V189-E191 VanDerWaalsContact C-N 3.3Å; V189-E191 PolarHBondContact O-N 3.22Å; E191-I193 VanDerWaalsContact C-N 3.34Å; E191-I193 PolarHBondContact O-N 3.43Å; E191-K194 WeakPolarHBondContact O-CB 3.39Å; E191-K194 PolarHBondContact O-N 3.02Å; E191-E195 WeakPolarHBondContact O-CB 3.42Å; E191-E195 PolarHBondContact O-N 3.17Å
192	Y	83.6	Confident	82	Confident	64 Å²	64	96.5 Å²	96.5	25%	0.251	52%	0.521	S	S	.	.	H	α-helix	trans	-63	-39.1	174.8	-65.6	-55.4	0	0	0	112.6	Q182 V184 K188 V189 K194 E195 A196	Q182-Y192 VanDerWaalsContact NE2-CE1 3.31Å; Q182-Y192 PolarHBondContact NE2-OH 3.45Å; V184-Y192 HydrophobicContact CG1-CD2 3.68Å; V184-Y192 HydrophobicContact CG1-CE2 3.78Å; K188-Y192 HydrophobicContact CB-CD2 4.07Å; K188-Y192 HydrophobicContact CB-CE2 3.57Å; K188-Y192 WeakPolarHBondContact O-CD2 3.42Å; K188-Y192 PolarHBondContact O-N 3.15Å; V189-Y192 PolarHBondContact O-N 3.05Å; Y192-K194 VanDerWaalsContact C-N 3.35Å; Y192-E195 PolarHBondContact O-N 2.95Å; Y192-A196 VanDerWaalsContact O-CB 3.26Å; Y192-A196 WeakPolarHBondContact O-CB 3Å; Y192-A196 PolarHBondContact O-N 2.74Å
193	I	87.2	Confident	83.9	Confident	111 Å²	111	98.6 Å²	98.6	57%	0.569	53%	0.529	S	S	*	.	H	α-helix	trans	-63.3	-44.3	174.3	-68.1	166.2	0	0	0	110.1	V189 E191 E195 A196 A197	V189-I193 HydrophobicContact CG1-CD1 3.82Å; V189-I193 HydrophobicContact CG1-CG1 4.39Å; V189-I193 VanDerWaalsContact O-CG1 3.28Å; V189-I193 WeakPolarHBondContact O-CG1 3.45Å; V189-I193 PolarHBondContact O-N 3.43Å; E191-I193 VanDerWaalsContact C-N 3.34Å; E191-I193 PolarHBondContact O-N 3.43Å; I193-E195 VanDerWaalsContact C-N 3.35Å; I193-A196 PolarHBondContact O-N 2.72Å; I193-A197 VanDerWaalsContact O-CB 3.28Å; I193-A197 WeakPolarHBondContact O-CB 3.34Å; I193-A197 PolarHBondContact O-N 3.38Å
194	K	91.8	Very high	85.7	Confident	163 Å²	163	93.7 Å²	93.7	71%	0.709	51%	0.512	S	S	*	.	H	α-helix	trans	-63.7	-40.6	177.4	-173.1	178.4	179.5	-179.3	0	111.8	P190 E191 Y192 K198	P190-K194 WeakPolarHBondContact O-CB 3.19Å; P190-K194 PolarHBondContact O-N 3.1Å; E191-K194 WeakPolarHBondContact O-CB 3.39Å; E191-K194 PolarHBondContact O-N 3.02Å; Y192-K194 VanDerWaalsContact C-N 3.35Å; K194-K198 WeakPolarHBondContact O-CB 3.25Å; K194-K198 PolarHBondContact O-N 3.43Å
195	E	90.8	Very high	87.3	Confident	90 Å²	90	93.2 Å²	93.2	42%	0.421	51%	0.513	S	S	.	.	H	α-helix	trans	-68.2	-43.6	177	-166.7	-173.6	157.5	0	0	111.7	E191 Y192 I193 A197 K198 K199	E191-E195 WeakPolarHBondContact O-CB 3.42Å; E191-E195 PolarHBondContact O-N 3.17Å; Y192-E195 PolarHBondContact O-N 2.95Å; I193-E195 VanDerWaalsContact C-N 3.35Å; E195-A197 PolarHBondContact O-N 2.99Å; E195-K198 WeakPolarHBondContact O-CB 3.47Å; E195-K198 PolarHBondContact O-N 3.1Å; E195-K199 WeakPolarHBondContact O-CG 3.37Å; E195-K199 PolarHBondContact O-N 2.91Å; E195-K199 WeakPolarHBondContact OE1-CE 3.19Å; E195-K199 IonicContact OE1-NZ 3.32Å; E195-K199 PolarHBondContact OE1-NZ 2.95Å
196	A	90.7	Very high	88.8	Confident	59 Å²	59	91.7 Å²	91.7	49%	0.488	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-42.8	175.1	0	0	0	0	0	111.5	Y192 I193 K198 K199 A200	Y192-A196 VanDerWaalsContact O-CB 3.26Å; Y192-A196 WeakPolarHBondContact O-CB 3Å; Y192-A196 PolarHBondContact O-N 2.74Å; I193-A196 PolarHBondContact O-N 2.72Å; A196-K198 VanDerWaalsContact C-N 3.32Å; A196-K198 PolarHBondContact O-N 3.31Å; A196-K199 PolarHBondContact O-N 3.27Å; A196-A200 WeakPolarHBondContact O-CB 3.43Å; A196-A200 PolarHBondContact O-N 3.4Å
197	A	93.1	Very high	89.8	Confident	58 Å²	58	92 Å²	92	48%	0.479	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-40	174.4	0	0	0	0	0	111.8	I193 E195 A200 A201	I193-A197 VanDerWaalsContact O-CB 3.28Å; I193-A197 WeakPolarHBondContact O-CB 3.34Å; I193-A197 PolarHBondContact O-N 3.38Å; E195-A197 PolarHBondContact O-N 2.99Å; A197-A200 PolarHBondContact O-N 3.05Å; A197-A201 WeakPolarHBondContact O-CB 3.27Å; A197-A201 PolarHBondContact O-N 3.49Å
198	K	95.6	Very high	90.4	Very high	133 Å²	133	89.9 Å²	89.9	58%	0.578	47%	0.474	S	S	*	.	H	α-helix	trans	-63.9	-47.6	175.1	-172.8	-177.5	176.4	-164.1	0	111.6	K194 E195 A196 A200 A201 E202	K194-K198 WeakPolarHBondContact O-CB 3.25Å; K194-K198 PolarHBondContact O-N 3.43Å; E195-K198 WeakPolarHBondContact O-CB 3.47Å; E195-K198 PolarHBondContact O-N 3.1Å; A196-K198 VanDerWaalsContact C-N 3.32Å; A196-K198 PolarHBondContact O-N 3.31Å; K198-A200 VanDerWaalsContact C-N 3.34Å; K198-A200 PolarHBondContact O-N 3.31Å; K198-A201 PolarHBondContact O-N 3.27Å; K198-E202 WeakPolarHBondContact CE-OE1 3.39Å; K198-E202 IonicContact NZ-OE1 2.6Å; K198-E202 WeakPolarHBondContact O-CG 3.41Å; K198-E202 PolarHBondContact O-N 3.4Å
199	K	95.3	Very high	90.9	Very high	124 Å²	124	91.9 Å²	91.9	54%	0.539	48%	0.479	S	S	.	.	H	α-helix	trans	-61.3	-41.4	176.8	-73.3	178	-176.9	166.7	0	111.9	E195 A196 E202 F203	E195-K199 WeakPolarHBondContact O-CG 3.37Å; E195-K199 PolarHBondContact O-N 2.91Å; E195-K199 WeakPolarHBondContact OE1-CE 3.19Å; E195-K199 IonicContact OE1-NZ 3.32Å; E195-K199 PolarHBondContact OE1-NZ 2.95Å; A196-K199 PolarHBondContact O-N 3.27Å; K199-E202 PolarHBondContact O-N 3.32Å; K199-F203 WeakPolarHBondContact O-CB 3.2Å; K199-F203 PolarHBondContact O-N 3.15Å
200	A	94.2	Very high	91.2	Very high	49 Å²	49	92.2 Å²	92.2	41%	0.405	48%	0.477	S	S	.	.	H	α-helix	trans	-63.8	-40.9	174.9	0	0	0	0	0	111.9	A196 A197 K198 F203 N204	A196-A200 WeakPolarHBondContact O-CB 3.43Å; A196-A200 PolarHBondContact O-N 3.4Å; A197-A200 PolarHBondContact O-N 3.05Å; K198-A200 VanDerWaalsContact C-N 3.34Å; K198-A200 PolarHBondContact O-N 3.31Å; A200-F203 PolarHBondContact O-N 3.4Å; A200-N204 WeakPolarHBondContact O-CB 3.32Å; A200-N204 PolarHBondContact O-N 3.02Å; A200-N204 PolarHBondContact O-ND2 2.64Å
201	A	95.6	Very high	91.2	Very high	57 Å²	57	93.2 Å²	93.2	47%	0.471	47%	0.47	S	S	.	.	H	α-helix	trans	-65.8	-42.5	176	0	0	0	0	0	112.2	A197 K198 N204 S205	A197-A201 WeakPolarHBondContact O-CB 3.27Å; A197-A201 PolarHBondContact O-N 3.49Å; K198-A201 PolarHBondContact O-N 3.27Å; A201-N204 PolarHBondContact O-N 3.26Å; A201-S205 WeakPolarHBondContact O-CB 3.49Å; A201-S205 PolarHBondContact O-N 3.02Å
202	E	96.3	Very high	91	Very high	94 Å²	94	92.6 Å²	92.6	44%	0.439	47%	0.468	S	S	.	.	H	α-helix	trans	-62.4	-44.6	175	-74.9	173.1	-179.4	0	0	111.5	K198 K199 S205 N206	K198-E202 WeakPolarHBondContact CE-OE1 3.39Å; K198-E202 IonicContact NZ-OE1 2.6Å; K198-E202 WeakPolarHBondContact O-CG 3.41Å; K198-E202 PolarHBondContact O-N 3.4Å; K199-E202 PolarHBondContact O-N 3.32Å; E202-S205 PolarHBondContact O-N 3.33Å; E202-N206 WeakPolarHBondContact O-CB 3.31Å; E202-N206 PolarHBondContact O-N 3.37Å
203	F	96.1	Very high	91.1	Very high	135 Å²	135	95.8 Å²	95.8	59%	0.592	49%	0.485	S	S	*	.	H	α-helix	trans	-60.4	-49.1	174.6	-179.8	-93.8	0	0	0	111.6	K199 A200 S205 N206 F207	K199-F203 WeakPolarHBondContact O-CB 3.2Å; K199-F203 PolarHBondContact O-N 3.15Å; A200-F203 PolarHBondContact O-N 3.4Å; F203-S205 VanDerWaalsContact C-N 3.27Å; F203-S205 PolarHBondContact O-N 2.92Å; F203-N206 PolarHBondContact O-N 3.47Å; F203-F207 HydrophobicContact CE1-CB 4.42Å; F203-F207 WeakPolarHBondContact O-CB 3.42Å; F203-F207 PolarHBondContact O-N 3.31Å
204	N	94.1	Very high	90.7	Very high	91 Å²	91	97.1 Å²	97.1	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-61.3	-36.5	178.4	-73.8	-16.7	0	0	0	112.3	A200 A201 N208	A200-N204 WeakPolarHBondContact O-CB 3.32Å; A200-N204 PolarHBondContact O-N 3.02Å; A200-N204 PolarHBondContact O-ND2 2.64Å; A201-N204 PolarHBondContact O-N 3.26Å; N204-N208 WeakPolarHBondContact O-CB 3.41Å; N204-N208 PolarHBondContact O-N 2.72Å; N204-N208 VanDerWaalsContact O-N 3.09Å; N204-N208 PolarHBondContact O-ND2 2.95Å
205	S	94.1	Very high	89.9	Confident	72 Å²	72	95.5 Å²	95.5	50%	0.503	48%	0.479	S	S	.	.	H	α-helix	trans	-66.2	-52.4	175.4	-176.2	0	0	0	0	111.2	A201 E202 F203 F207 N208 R209	A201-S205 WeakPolarHBondContact O-CB 3.49Å; A201-S205 PolarHBondContact O-N 3.02Å; E202-S205 PolarHBondContact O-N 3.33Å; F203-S205 VanDerWaalsContact C-N 3.27Å; F203-S205 PolarHBondContact O-N 2.92Å; S205-F207 PolarHBondContact O-N 3.25Å; S205-N208 PolarHBondContact O-N 3.38Å; S205-R209 WeakPolarHBondContact O-CB 3.29Å; S205-R209 PolarHBondContact O-N 2.85Å
206	N	93.8	Very high	89.2	Confident	75 Å²	75	100 Å²	100	40%	0.401	49%	0.492	S	S	.	.	H	α-helix	trans	-61.4	-44.3	179	-76.2	-5.7	0	0	0	111.7	E202 F203 N208 R209 E210	E202-N206 WeakPolarHBondContact O-CB 3.31Å; E202-N206 PolarHBondContact O-N 3.37Å; F203-N206 PolarHBondContact O-N 3.47Å; N206-N208 VanDerWaalsContact C-N 3.34Å; N206-N208 PolarHBondContact O-N 3.33Å; N206-R209 WeakPolarHBondContact O-CB 3.3Å; N206-R209 PolarHBondContact O-N 3.14Å; N206-R209 PolarHBondContact OD1-NH2 2.69Å; N206-E210 WeakPolarHBondContact O-CB 3.34Å; N206-E210 PolarHBondContact O-N 2.69Å
207	F	90.7	Very high	88.8	Confident	93 Å²	93	99.5 Å²	99.5	41%	0.408	49%	0.487	S	S	.	.	H	α-helix	trans	-60.8	-42.3	177.4	-178.7	-98.4	0	0	0	111.9	F203 S205 R211	F203-F207 HydrophobicContact CE1-CB 4.42Å; F203-F207 WeakPolarHBondContact O-CB 3.42Å; F203-F207 PolarHBondContact O-N 3.31Å; S205-F207 PolarHBondContact O-N 3.25Å; F207-R211 VanDerWaalsContact O-CB 3.22Å; F207-R211 WeakPolarHBondContact O-CB 3.45Å; F207-R211 PolarHBondContact O-N 2.7Å
208	N	87	Confident	88.4	Confident	64 Å²	64	103.9 Å²	103.9	34%	0.342	49%	0.492	S	S	.	.	H	α-helix	trans	-68.3	-37	175.6	-82.1	-52.4	0	0	0	112.5	N204 S205 N206 R211 M212	N204-N208 WeakPolarHBondContact O-CB 3.41Å; N204-N208 PolarHBondContact O-N 2.72Å; N204-N208 VanDerWaalsContact O-N 3.09Å; N204-N208 PolarHBondContact O-ND2 2.95Å; S205-N208 PolarHBondContact O-N 3.38Å; N206-N208 VanDerWaalsContact C-N 3.34Å; N206-N208 PolarHBondContact O-N 3.33Å; N208-R211 PolarHBondContact OD1-NH2 2.65Å; N208-M212 HydrophobicContact CB-CE 4.4Å; N208-M212 WeakPolarHBondContact O-CB 3.33Å; N208-M212 VanDerWaalsContact O-CG 3.31Å; N208-M212 WeakPolarHBondContact O-CG 3.23Å; N208-M212 PolarHBondContact O-N 2.83Å
209	R	90.1	Very high	88	Confident	125 Å²	125	102.4 Å²	102.4	47%	0.472	49%	0.486	S	S	.	.	H	α-helix	trans	-62.7	-51.9	174.1	-177.2	176.2	64.2	-141.1	-9	110.9	S205 N206 R211 M212 E213	S205-R209 WeakPolarHBondContact O-CB 3.29Å; S205-R209 PolarHBondContact O-N 2.85Å; N206-R209 WeakPolarHBondContact O-CB 3.3Å; N206-R209 PolarHBondContact O-N 3.14Å; N206-R209 PolarHBondContact OD1-NH2 2.69Å; R209-R211 VanDerWaalsContact C-N 3.31Å; R209-R211 PolarHBondContact O-N 2.67Å; R209-M212 CarbonylContact O-C 3.54Å; R209-M212 PolarHBondContact O-N 2.81Å; R209-E213 WeakPolarHBondContact CD-OE1 3.28Å; R209-E213 HydrophobicContact CG-CG 4.12Å; R209-E213 WeakPolarHBondContact CG-OE1 3.45Å; R209-E213 WeakPolarHBondContact CG-OE2 2.9Å; R209-E213 WeakPolarHBondContact O-CB 3.45Å; R209-E213 WeakPolarHBondContact O-CG 3.42Å; R209-E213 PolarHBondContact O-N 3.05Å
210	E	86.9	Confident	87.6	Confident	63 Å²	63	98.6 Å²	98.6	29%	0.294	47%	0.472	S	S	.	.	H	α-helix	trans	-58.1	-42.8	177.1	-168.8	-169.4	142.1	0	0	111.4	N206 M212 E213 E214 R215	N206-E210 WeakPolarHBondContact O-CB 3.34Å; N206-E210 PolarHBondContact O-N 2.69Å; E210-M212 VanDerWaalsContact C-N 3.27Å; E210-M212 PolarHBondContact O-N 3.31Å; E210-E213 PolarHBondContact O-N 2.87Å; E210-E214 HydrophobicContact CG-CB 4.42Å; E210-E214 HydrophobicContact CG-CG 4.29Å; E210-E214 WeakPolarHBondContact CG-OE2 3.2Å; E210-E214 WeakPolarHBondContact O-CA 3.43Å; E210-E214 WeakPolarHBondContact O-CB 3.29Å; E210-E214 PolarHBondContact O-N 3.18Å; E210-R215 PolarHBondContact O-N 2.9Å; E210-R215 IonicContact OE1-CZ 3.38Å; E210-R215 IonicContact OE1-NH1 3.22Å; E210-R215 PolarHBondContact OE1-NH1 3.12Å; E210-R215 IonicContact OE1-NH2 4Å; E210-R215 PolarHBondContact OE1-NH2 3.36Å
211	R	84.6	Confident	87.3	Confident	106 Å²	106	102.6 Å²	102.6	40%	0.4	49%	0.486	S	S	.	.	H	α-helix	trans	-60	-36.2	174.3	-171.8	177.9	68.7	101.6	0.2	112.6	F207 N208 R209 R215	F207-R211 VanDerWaalsContact O-CB 3.22Å; F207-R211 WeakPolarHBondContact O-CB 3.45Å; F207-R211 PolarHBondContact O-N 2.7Å; N208-R211 PolarHBondContact OD1-NH2 2.65Å; R209-R211 VanDerWaalsContact C-N 3.31Å; R209-R211 PolarHBondContact O-N 2.67Å; R211-R215 CarbonylContact O-C 3.58Å; R211-R215 VanDerWaalsContact O-C 3.29Å
212	M	80.6	Confident	86.8	Confident	119 Å²	119	108.5 Å²	108.5	59%	0.586	50%	0.504	S	S	*	.	H	α-helix	trans	-86	-28.2	-179.9	-71.5	-171.1	-139.2	0	0	114.1	N208 R209 E210 R216	N208-M212 HydrophobicContact CB-CE 4.4Å; N208-M212 WeakPolarHBondContact O-CB 3.33Å; N208-M212 VanDerWaalsContact O-CG 3.31Å; N208-M212 WeakPolarHBondContact O-CG 3.23Å; N208-M212 PolarHBondContact O-N 2.83Å; R209-M212 CarbonylContact O-C 3.54Å; R209-M212 PolarHBondContact O-N 2.81Å; E210-M212 VanDerWaalsContact C-N 3.27Å; E210-M212 PolarHBondContact O-N 3.31Å; M212-R216 VanDerWaalsContact O-CD 3.3Å; M212-R216 WeakPolarHBondContact O-CD 3.45Å; M212-R216 WeakPolarHBondContact O-CG 3.21Å
213	E	84.4	Confident	86.2	Confident	130 Å²	130	107.5 Å²	107.5	61%	0.607	50%	0.504	S	S	*	.	H	α-helix	trans	-92.4	-48.1	-176.9	-71.4	175.7	-179.2	0	0	111.3	R209 E210	R209-E213 WeakPolarHBondContact CD-OE1 3.28Å; R209-E213 HydrophobicContact CG-CG 4.12Å; R209-E213 WeakPolarHBondContact CG-OE1 3.45Å; R209-E213 WeakPolarHBondContact CG-OE2 2.9Å; R209-E213 WeakPolarHBondContact O-CB 3.45Å; R209-E213 WeakPolarHBondContact O-CG 3.42Å; R209-E213 PolarHBondContact O-N 3.05Å; E210-E213 PolarHBondContact O-N 2.87Å
214	E	80	Confident	85.6	Confident	139 Å²	139	106.3 Å²	106.3	65%	0.65	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-41.9	-173.2	-58.2	-175	173.9	0	0	112.4	E210 R216	E210-E214 HydrophobicContact CG-CB 4.42Å; E210-E214 HydrophobicContact CG-CG 4.29Å; E210-E214 WeakPolarHBondContact CG-OE2 3.2Å; E210-E214 WeakPolarHBondContact O-CA 3.43Å; E210-E214 WeakPolarHBondContact O-CB 3.29Å; E210-E214 PolarHBondContact O-N 3.18Å; E214-R216 PolarHBondContact O-N 3.36Å
215	R	74.9	Confident	84.9	Confident	129 Å²	129	104.8 Å²	104.8	49%	0.487	49%	0.494	S	S	.	.			trans	-100.7	43.5	-173.8	-55.8	-170.9	180	100.7	10.4	113.6	E210 R211	E210-R215 PolarHBondContact O-N 2.9Å; E210-R215 IonicContact OE1-CZ 3.38Å; E210-R215 IonicContact OE1-NH1 3.22Å; E210-R215 PolarHBondContact OE1-NH1 3.12Å; E210-R215 IonicContact OE1-NH2 4Å; E210-R215 PolarHBondContact OE1-NH2 3.36Å; R211-R215 CarbonylContact O-C 3.58Å; R211-R215 VanDerWaalsContact O-C 3.29Å
216	R	74.9	Confident	84.4	Confident	186 Å²	186	104.1 Å²	104.1	70%	0.702	48%	0.484	S	S	*	.	S	Bend	trans	-66	-39.4	-178.3	-68.8	-178.5	69.9	-163.6	0.1	113.4	M212 E214 P229	M212-R216 VanDerWaalsContact O-CD 3.3Å; M212-R216 WeakPolarHBondContact O-CD 3.45Å; M212-R216 WeakPolarHBondContact O-CG 3.21Å; E214-R216 PolarHBondContact O-N 3.36Å; R216-P229 WeakPolarHBondContact O-CD 3.14Å
217	A	83.3	Confident	83.9	Confident	47 Å²	47	103.9 Å²	103.9	39%	0.388	48%	0.481	S	S	.	.			trans	-158	151.3	176.7	0	0	0	0	0	107.5	I226 Q227 V228	A217-I226 HydrophobicContact CB-CG2 3.88Å; A217-Q227 CarbonylContact C-O 3.55Å; A217-Q227 VanDerWaalsContact CA-O 3.25Å; A217-Q227 WeakPolarHBondContact CA-O 3.32Å; A217-V228 HydrophobicContact CB-CG1 3.8Å
218	Y	84.6	Confident	83.5	Confident	150 Å²	150	103.3 Å²	103.3	59%	0.588	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.2	172.8	60	-87	0	0	0	110.5	I226 Q227	Y218-I226 CarbonylContact O-C 3.29Å; Y218-Q227 HydrophobicContact CD1-CB 4.08Å; Y218-Q227 HydrophobicContact CD2-CB 3.93Å; Y218-Q227 HydrophobicContact CD2-CG 4.17Å; Y218-Q227 HydrophobicContact CE1-CB 3.67Å; Y218-Q227 HydrophobicContact CE2-CB 3.51Å; Y218-Q227 HydrophobicContact CE2-CG 3.54Å; Y218-Q227 HydrophobicContact CG-CB 4.2Å; Y218-Q227 PolarHBondContact N-O 3.47Å; Y218-Q227 PolarHBondContact O-N 3.29Å
219	F	86.4	Confident	83.1	Confident	103 Å²	103	103.6 Å²	103.6	45%	0.452	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.5	174.9	-178.3	-117.9	0	0	0	108.8	L221 H224 I226	F219-L221 HydrophobicContact CD1-CD2 3.8Å; F219-L221 HydrophobicContact CE1-CD2 3.74Å; F219-L221 PolarHBondContact O-N 3.14Å; F219-H224 HydrophobicContact CE2-CB 4.31Å; F219-H224 WeakPolarHBondContact CE2-O 3.35Å; F219-H224 HydrophobicContact CZ-CB 4.06Å; F219-H224 AromaticContact CZ-CD2 3.88Å; F219-I226 HydrophobicContact CD2-CG1 3.85Å
220	D	87.6	Confident	82	Confident	43 Å²	43	107.1 Å²	107.1	23%	0.23	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	115.2	176.1	176	0.1	0	0	0	109.5	Q222 T223 H224 V225 Q227	D220-Q222 VanDerWaalsContact C-N 3.33Å; D220-Q222 PolarHBondContact OD1-N 3.35Å; D220-T223 WeakPolarHBondContact CB-OG1 3.42Å; D220-T223 PolarHBondContact OD1-N 3.43Å; D220-T223 WeakPolarHBondContact OD2-CB 3.41Å; D220-T223 VanDerWaalsContact OD2-CG2 3.28Å; D220-T223 WeakPolarHBondContact OD2-CG2 3.5Å; D220-T223 PolarHBondContact OD2-OG1 2.9Å; D220-H224 WeakPolarHBondContact O-CA 3.25Å; D220-H224 PolarHBondContact O-N 3.45Å; D220-V225 WeakPolarHBondContact CB-O 3.33Å; D220-V225 PolarHBondContact N-O 3.36Å; D220-V225 PolarHBondContact O-N 2.96Å; D220-Q227 HydrophobicContact CB-CG 4.16Å
221	L	86.3	Confident	80.9	Confident	133 Å²	133	106.9 Å²	106.9	70%	0.696	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-24.1	-178.4	-67.6	174.2	0	0	0	113.4	F219 H224	F219-L221 HydrophobicContact CD1-CD2 3.8Å; F219-L221 HydrophobicContact CE1-CD2 3.74Å; F219-L221 PolarHBondContact O-N 3.14Å; L221-H224 PolarHBondContact O-CD2 3.32Å; L221-H224 PolarHBondContact O-NE2 3.48Å
222	Q	86.8	Confident	79.5	Confident	182 Å²	182	113.6 Å²	113.6	85%	0.85	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-35.3	-179.2	-172.9	170.1	-4.2	0	0	111.3	D220	D220-Q222 VanDerWaalsContact C-N 3.33Å; D220-Q222 PolarHBondContact OD1-N 3.35Å
223	T	83.8	Confident	78.5	Confident	72 Å²	72	115.7 Å²	115.7	44%	0.442	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.3	-12.5	-179.4	64.8	0	0	0	0	113.6	D220 V225	D220-T223 WeakPolarHBondContact CB-OG1 3.42Å; D220-T223 PolarHBondContact OD1-N 3.43Å; D220-T223 WeakPolarHBondContact OD2-CB 3.41Å; D220-T223 VanDerWaalsContact OD2-CG2 3.28Å; D220-T223 WeakPolarHBondContact OD2-CG2 3.5Å; D220-T223 PolarHBondContact OD2-OG1 2.9Å; T223-V225 PolarHBondContact O-N 2.93Å; T223-V225 PolarHBondContact OG1-N 3.31Å
224	H	81.8	Confident	77.4	Confident	110 Å²	110	118.5 Å²	118.5	51%	0.509	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	54.1	33.1	-169.2	-58.8	132	0	0	0	113.3	F219 D220 L221	F219-H224 HydrophobicContact CE2-CB 4.31Å; F219-H224 WeakPolarHBondContact CE2-O 3.35Å; F219-H224 HydrophobicContact CZ-CB 4.06Å; F219-H224 AromaticContact CZ-CD2 3.88Å; D220-H224 WeakPolarHBondContact O-CA 3.25Å; D220-H224 PolarHBondContact O-N 3.45Å; L221-H224 PolarHBondContact O-CD2 3.32Å; L221-H224 PolarHBondContact O-NE2 3.48Å
225	V	80.1	Confident	76.6	Confident	59 Å²	59	118.6 Å²	118.6	36%	0.358	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.1	137.3	179.6	179.9	0	0	0	0	110.3	D220 T223 Q227	D220-V225 WeakPolarHBondContact CB-O 3.33Å; D220-V225 PolarHBondContact N-O 3.36Å; D220-V225 PolarHBondContact O-N 2.96Å; T223-V225 PolarHBondContact O-N 2.93Å; T223-V225 PolarHBondContact OG1-N 3.31Å; V225-Q227 PolarHBondContact O-N 2.93Å
226	I	83.7	Confident	76	Confident	59 Å²	59	117 Å²	117	30%	0.303	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.4	111	170.8	-59.6	174.9	0	0	0	108.5	A217 Y218 F219 V228 I251	A217-I226 HydrophobicContact CB-CG2 3.88Å; Y218-I226 CarbonylContact O-C 3.29Å; F219-I226 HydrophobicContact CD2-CG1 3.85Å; I226-V228 HydrophobicContact CG2-CG1 4.31Å; I226-I251 HydrophobicContact CD1-CD1 4.36Å
227	Q	82.7	Confident	76	Confident	70 Å²	70	110.7 Å²	110.7	33%	0.327	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.9	133.4	174.9	-60.5	-66.7	-6.1	0	0	109.9	A217 Y218 D220 V225	A217-Q227 CarbonylContact C-O 3.55Å; A217-Q227 VanDerWaalsContact CA-O 3.25Å; A217-Q227 WeakPolarHBondContact CA-O 3.32Å; Y218-Q227 HydrophobicContact CD1-CB 4.08Å; Y218-Q227 HydrophobicContact CD2-CB 3.93Å; Y218-Q227 HydrophobicContact CD2-CG 4.17Å; Y218-Q227 HydrophobicContact CE1-CB 3.67Å; Y218-Q227 HydrophobicContact CE2-CB 3.51Å; Y218-Q227 HydrophobicContact CE2-CG 3.54Å; Y218-Q227 HydrophobicContact CG-CB 4.2Å; Y218-Q227 PolarHBondContact N-O 3.47Å; Y218-Q227 PolarHBondContact O-N 3.29Å; D220-Q227 HydrophobicContact CB-CG 4.16Å; V225-Q227 PolarHBondContact O-N 2.93Å
228	V	82.9	Confident	75.5	Confident	80 Å²	80	113.2 Å²	113.2	49%	0.485	58%	0.578	S	S	.	*			trans	-127	146	178.5	-65.4	0	0	0	0	110	A217 I226 Q230	A217-V228 HydrophobicContact CB-CG1 3.8Å; I226-V228 HydrophobicContact CG2-CG1 4.31Å; V228-Q230 PolarHBondContact O-N 3.46Å
229	P	77.5	Confident	75	Confident	70 Å²	70	112.1 Å²	112.1	46%	0.455	58%	0.578	S	S	.	*			trans	-54.5	128.6	176.5	-26	34	0	0	0	111.8	R216 G231	R216-P229 WeakPolarHBondContact O-CD 3.14Å; P229-G231 PolarHBondContact O-N 3.49Å
230	Q	67.6	Low	74	Confident	200 Å²	200	112.9 Å²	112.9	94%	0.935	59%	0.586	S	S	*	*	S	Bend	trans	-74	93.9	179.4	-164.6	176.2	17.3	0	0	109.8	V228	V228-Q230 PolarHBondContact O-N 3.46Å
231	G	64.2	Low	73.1	Confident	57 Å²	57	113.2 Å²	113.2	59%	0.588	59%	0.59	S	S	*	*	S	Bend	trans	177.2	117.4	179.4	0	0	0	0	0	114.1	P229	P229-G231 PolarHBondContact O-N 3.49Å
232	R	55.5	Low	72.5	Confident	247 Å²	247	112.9 Å²	112.9	93%	0.932	58%	0.583	S	S	*	*			trans	45.6	78.8	176.5	-62.4	-173.5	-170.1	-174.6	3.4	114.5	K234	R232-K234 PolarHBondContact O-N 3.08Å
233	F	59.8	Low	71.8	Confident	164 Å²	164	108.2 Å²	108.2	72%	0.719	57%	0.567	S	S	*	*			trans	-53.8	124.9	155.1	-59.5	-76.1	0	0	0	108.3	V235	F233-V235 PolarHBondContact O-N 3.4Å; F233-V235 VanDerWaalsContact O-N 3.11Å
234	K	60.5	Low	71	Confident	189 Å²	189	105.8 Å²	105.8	82%	0.822	56%	0.556	S	S	*	*			trans	-62.2	115	166.5	-167.4	175.2	-177.1	-179.1	0	105.8	R232 L236	R232-K234 PolarHBondContact O-N 3.08Å; K234-L236 PolarHBondContact O-N 2.91Å
235	V	62.8	Low	70.4	Confident	140 Å²	140	106.9 Å²	106.9	85%	0.848	57%	0.573	S	S	*	*			trans	-57.5	113.8	173	179.5	0	0	0	0	106.1	F233	F233-V235 PolarHBondContact O-N 3.4Å; F233-V235 VanDerWaalsContact O-N 3.11Å
236	L	64	Low	69.8	Low	95 Å²	95	112.9 Å²	112.9	50%	0.497	59%	0.591	S	S	.	*			trans	-65.3	150.5	177.9	-69.6	173.7	0	0	0	108.7	K234 L240 T241	K234-L236 PolarHBondContact O-N 2.91Å; L236-L240 HydrophobicContact CB-CB 4.35Å; L236-L240 HydrophobicContact CD2-CD1 4.45Å; L236-T241 HydrophobicContact CB-CG2 3.9Å
237	A	74	Confident	69.3	Low	55 Å²	55	112.3 Å²	112.3	46%	0.455	59%	0.59	S	S	.	*			trans	-56.5	143	174.1	0	0	0	0	0	109.6	E239 L240	A237-E239 PolarHBondContact O-N 2.89Å; A237-L240 PolarHBondContact O-N 3.35Å
238	P	71.9	Confident	68.8	Low	99 Å²	99	112 Å²	112	64%	0.643	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-51.9	-30	-176.5	-29.4	35.4	0	0	0	114.5	L240 T241	P238-L240 VanDerWaalsContact C-N 3.32Å; P238-L240 PolarHBondContact O-N 3.12Å; P238-T241 WeakPolarHBondContact CA-OG1 3.12Å; P238-T241 PolarHBondContact O-N 2.74Å; P238-T241 PolarHBondContact O-OG1 3.41Å
239	E	74.1	Confident	68.3	Low	127 Å²	127	110.7 Å²	110.7	59%	0.593	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-61.9	-34.2	176.2	-61.5	-57	133.1	0	0	113.8	A237 K242	A237-E239 PolarHBondContact O-N 2.89Å; E239-K242 VanDerWaalsContact CD-NZ 3.34Å; E239-K242 IonicContact OE1-NZ 3.87Å; E239-K242 PolarHBondContact OE1-NZ 3.08Å; E239-K242 VanDerWaalsContact OE2-CE 3.27Å; E239-K242 WeakPolarHBondContact OE2-CE 3.29Å; E239-K242 IonicContact OE2-NZ 3.15Å; E239-K242 PolarHBondContact OE2-NZ 3.34Å
240	L	66.3	Low	68	Low	120 Å²	120	113.6 Å²	113.6	63%	0.628	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-87.8	-7.4	-178.8	-61.8	175.6	0	0	0	112.9	L236 A237 P238	L236-L240 HydrophobicContact CB-CB 4.35Å; L236-L240 HydrophobicContact CD2-CD1 4.45Å; A237-L240 PolarHBondContact O-N 3.35Å; P238-L240 VanDerWaalsContact C-N 3.32Å; P238-L240 PolarHBondContact O-N 3.12Å
241	T	68.8	Low	67.9	Low	50 Å²	50	106.9 Å²	106.9	31%	0.307	57%	0.572	S	S	.	*	G	3₁₀ helix	trans	-107.1	11.1	177.4	53.7	0	0	0	0	112.7	L236 P238 T243 Y258	L236-T241 HydrophobicContact CB-CG2 3.9Å; P238-T241 WeakPolarHBondContact CA-OG1 3.12Å; P238-T241 PolarHBondContact O-N 2.74Å; P238-T241 PolarHBondContact O-OG1 3.41Å; T241-T243 PolarHBondContact O-N 3.25Å; T241-Y258 HydrophobicContact CG2-CD2 4.39Å; T241-Y258 WeakPolarHBondContact O-CD1 3.44Å
242	K	73.1	Confident	67.9	Low	126 Å²	126	109 Å²	109	55%	0.548	58%	0.575	S	S	.	*			trans	-64.2	133.2	174.2	-72.2	179.1	173.9	173.3	0	109.2	E239 G244	E239-K242 VanDerWaalsContact CD-NZ 3.34Å; E239-K242 IonicContact OE1-NZ 3.87Å; E239-K242 PolarHBondContact OE1-NZ 3.08Å; E239-K242 VanDerWaalsContact OE2-CE 3.27Å; E239-K242 WeakPolarHBondContact OE2-CE 3.29Å; E239-K242 IonicContact OE2-NZ 3.15Å; E239-K242 PolarHBondContact OE2-NZ 3.34Å; K242-G244 PolarHBondContact O-N 2.72Å; K242-G244 VanDerWaalsContact O-N 3.13Å
243	T	72.2	Confident	68.2	Low	84 Å²	84	99.7 Å²	99.7	52%	0.515	56%	0.556	S	S	.	*	B	Isolated β-bridge	trans	-65.6	112.6	175.8	40.7	0	0	0	0	109.8	T241 Y258 K260	T241-T243 PolarHBondContact O-N 3.25Å; T243-Y258 WeakPolarHBondContact CA-O 3.33Å; T243-Y258 HydrophobicContact CG2-CD1 4.31Å; T243-K260 HydrophobicContact CG2-CB 3.66Å
244	G	68.3	Low	68.5	Low	20 Å²	20	96 Å²	96	21%	0.206	54%	0.541	C	S	.	.			trans	-66	153.6	171.7	0	0	0	0	0	111.1	K242 Y246	K242-G244 PolarHBondContact O-N 2.72Å; K242-G244 VanDerWaalsContact O-N 3.13Å; G244-Y246 PolarHBondContact O-N 2.9Å
245	P	67.9	Low	69.1	Low	134 Å²	134	90.3 Å²	90.3	87%	0.87	52%	0.517	S	S	*	.	S	Bend	trans	-67.2	-24.5	-179.8	25.7	-32.6	0	0	0	112.8
246	Y	68.6	Low	69.5	Low	185 Å²	185	89.6 Å²	89.6	73%	0.725	50%	0.504	S	S	*	.	S	Bend	trans	-149.3	87.5	-178	-154.3	-96.3	0	0	0	111.8	G244 V248	G244-Y246 PolarHBondContact O-N 2.9Å; Y246-V248 HydrophobicContact CD1-CG2 3.93Å; Y246-V248 HydrophobicContact CE1-CG2 4.4Å; Y246-V248 PolarHBondContact O-N 3.03Å; Y246-V248 VanDerWaalsContact O-N 3.09Å
247	P	71.6	Confident	69.8	Low	46 Å²	46	88 Å²	88	30%	0.299	50%	0.496	S	S	.	.			trans	-70	109.6	-179.4	28.5	-33.7	0	0	0	110.2	F255	P247-F255 HydrophobicContact CB-CB 4.05Å; P247-F255 HydrophobicContact CB-CD1 3.89Å; P247-F255 HydrophobicContact CB-CG 4.28Å
248	V	72.2	Confident	69.5	Low	64 Å²	64	91.8 Å²	91.8	39%	0.388	50%	0.5	S	S	.	.			trans	-87.4	126.6	174.8	-179.4	0	0	0	0	109.4	Y246 L250 F255 Q256	Y246-V248 HydrophobicContact CD1-CG2 3.93Å; Y246-V248 HydrophobicContact CE1-CG2 4.4Å; Y246-V248 PolarHBondContact O-N 3.03Å; Y246-V248 VanDerWaalsContact O-N 3.09Å; V248-L250 PolarHBondContact O-N 3.09Å; V248-F255 CarbonylContact O-C 3.59Å; V248-F255 WeakPolarHBondContact O-CA 3.21Å; V248-Q256 PolarHBondContact O-N 3.29Å
249	A	72.8	Confident	69.3	Low	53 Å²	53	90.2 Å²	90.2	44%	0.438	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	117	174.5	0	0	0	0	0	110.1	Q254 F255	A249-Q254 CarbonylContact C-O 3.55Å; A249-Q254 WeakPolarHBondContact CA-O 3.12Å; A249-F255 HydrophobicContact CB-CD1 4.01Å; A249-F255 HydrophobicContact CB-CE1 3.94Å
250	L	71.2	Confident	69.2	Low	130 Å²	130	88.4 Å²	88.4	68%	0.681	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	-33.9	172.9	-66.7	170.9	0	0	0	110.8	V248 Q254	V248-L250 PolarHBondContact O-N 3.09Å; L250-Q254 PolarHBondContact N-O 3.41Å
251	I	66.8	Low	69.3	Low	59 Å²	59	92.1 Å²	92.1	30%	0.303	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149.5	174.7	-58.3	178.6	0	0	0	106.5	I226 G253 Q254	I226-I251 HydrophobicContact CD1-CD1 4.36Å; I251-G253 PolarHBondContact O-N 3.02Å; I251-Q254 HydrophobicContact CB-CB 4.32Å; I251-Q254 PolarHBondContact O-N 2.93Å; I251-Q254 VanDerWaalsContact O-O 3.07Å
252	P	63.6	Low	69.5	Low	102 Å²	102	95 Å²	95	66%	0.662	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	115.4	175.7	-30.7	37	0	0	0	112.7
253	G	61.4	Low	69.5	Low	52 Å²	52	91.2 Å²	91.2	54%	0.536	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-7.4	-179.1	0	0	0	0	0	116.4	I251	I251-G253 PolarHBondContact O-N 3.02Å
254	Q	65.9	Low	69.6	Low	86 Å²	86	92 Å²	92	40%	0.402	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.3	174	-64.5	-173.5	-8.9	0	0	110.5	A249 L250 I251	A249-Q254 CarbonylContact C-O 3.55Å; A249-Q254 WeakPolarHBondContact CA-O 3.12Å; L250-Q254 PolarHBondContact N-O 3.41Å; I251-Q254 HydrophobicContact CB-CB 4.32Å; I251-Q254 PolarHBondContact O-N 2.93Å; I251-Q254 VanDerWaalsContact O-O 3.07Å
255	F	73.6	Confident	69.8	Low	69 Å²	69	95.8 Å²	95.8	30%	0.303	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	148.2	-174.8	-61.3	-98.7	0	0	0	110.4	P247 V248 A249 D257 Y259	P247-F255 HydrophobicContact CB-CB 4.05Å; P247-F255 HydrophobicContact CB-CD1 3.89Å; P247-F255 HydrophobicContact CB-CG 4.28Å; V248-F255 CarbonylContact O-C 3.59Å; V248-F255 WeakPolarHBondContact O-CA 3.21Å; A249-F255 HydrophobicContact CB-CD1 4.01Å; A249-F255 HydrophobicContact CB-CE1 3.94Å; F255-D257 WeakPolarHBondContact CB-O 3.41Å; F255-D257 PolarHBondContact O-N 3.14Å; F255-Y259 HydrophobicContact CB-CD1 3.98Å; F255-Y259 HydrophobicContact CD1-CD1 4.39Å; F255-Y259 AromaticContact CD2-CD1 3.2Å; F255-Y259 HydrophobicContact CD2-CD1 3.2Å; F255-Y259 AromaticContact CD2-CE1 3.03Å; F255-Y259 HydrophobicContact CD2-CE1 3.03Å; F255-Y259 HydrophobicContact CD2-CG 4.08Å; F255-Y259 AromaticContact CD2-CZ 3.75Å; F255-Y259 AromaticContact CE2-CD1 3.68Å; F255-Y259 HydrophobicContact CE2-CD1 3.68Å; F255-Y259 HydrophobicContact CE2-CD2 4.45Å; F255-Y259 AromaticContact CE2-CE1 3.19Å; F255-Y259 HydrophobicContact CE2-CE1 3.19Å; F255-Y259 HydrophobicContact CE2-CE2 4.01Å; F255-Y259 HydrophobicContact CE2-CG 4.29Å; F255-Y259 AromaticContact CE2-CZ 3.35Å; F255-Y259 AromaticContact CG-CD1 3.6Å; F255-Y259 HydrophobicContact CG-CD1 3.6Å; F255-Y259 AromaticContact CG-CE1 3.93Å; F255-Y259 HydrophobicContact CG-CE1 3.93Å; F255-Y259 HydrophobicContact CG-CG 4.24Å; F255-Y259 HydrophobicContact CZ-CD1 4.43Å; F255-Y259 HydrophobicContact CZ-CE1 4.19Å; F255-Y259 HydrophobicContact CZ-CE2 4.34Å
256	Q	70.4	Confident	70	Confident	125 Å²	125	92.7 Å²	92.7	58%	0.584	47%	0.469	S	S	*	.	S	Bend	trans	-58.5	-38.5	177.9	-177.9	174.2	6.4	0	0	111.9	V248	V248-Q256 PolarHBondContact O-N 3.29Å
257	D	70.9	Confident	70	Confident	63 Å²	63	87.4 Å²	87.4	34%	0.337	45%	0.452	S	S	.	.	S	Bend	trans	-114.9	156.5	175.2	-64	-35.2	0	0	0	110.6	F255 Y259	F255-D257 WeakPolarHBondContact CB-O 3.41Å; F255-D257 PolarHBondContact O-N 3.14Å; D257-Y259 PolarHBondContact O-N 2.98Å
258	Y	68.9	Low	69.9	Low	134 Å²	134	90.3 Å²	90.3	53%	0.525	46%	0.457	S	S	.	.	B	Isolated β-bridge	trans	-59.3	126	167.5	-172.7	-95.8	0	0	0	109	T241 T243	T241-Y258 HydrophobicContact CG2-CD2 4.39Å; T241-Y258 WeakPolarHBondContact O-CD1 3.44Å; T243-Y258 WeakPolarHBondContact CA-O 3.33Å; T243-Y258 HydrophobicContact CG2-CD1 4.31Å
259	Y	67.8	Low	69.8	Low	65 Å²	65	91.2 Å²	91.2	26%	0.255	45%	0.454	S	S	.	.			trans	-110.9	133.7	177.7	74.7	-76	0	0	0	109.3	F255 D257 R261	F255-Y259 HydrophobicContact CB-CD1 3.98Å; F255-Y259 HydrophobicContact CD1-CD1 4.39Å; F255-Y259 AromaticContact CD2-CD1 3.2Å; F255-Y259 HydrophobicContact CD2-CD1 3.2Å; F255-Y259 AromaticContact CD2-CE1 3.03Å; F255-Y259 HydrophobicContact CD2-CE1 3.03Å; F255-Y259 HydrophobicContact CD2-CG 4.08Å; F255-Y259 AromaticContact CD2-CZ 3.75Å; F255-Y259 AromaticContact CE2-CD1 3.68Å; F255-Y259 HydrophobicContact CE2-CD1 3.68Å; F255-Y259 HydrophobicContact CE2-CD2 4.45Å; F255-Y259 AromaticContact CE2-CE1 3.19Å; F255-Y259 HydrophobicContact CE2-CE1 3.19Å; F255-Y259 HydrophobicContact CE2-CE2 4.01Å; F255-Y259 HydrophobicContact CE2-CG 4.29Å; F255-Y259 AromaticContact CE2-CZ 3.35Å; F255-Y259 AromaticContact CG-CD1 3.6Å; F255-Y259 HydrophobicContact CG-CD1 3.6Å; F255-Y259 AromaticContact CG-CE1 3.93Å; F255-Y259 HydrophobicContact CG-CE1 3.93Å; F255-Y259 HydrophobicContact CG-CG 4.24Å; F255-Y259 HydrophobicContact CZ-CD1 4.43Å; F255-Y259 HydrophobicContact CZ-CE1 4.19Å; F255-Y259 HydrophobicContact CZ-CE2 4.34Å; D257-Y259 PolarHBondContact O-N 2.98Å; Y259-R261 HydrophobicContact CD2-CG 4.28Å; Y259-R261 HydrophobicContact CE2-CG 3.58Å; Y259-R261 PolarHBondContact O-N 2.93Å; Y259-R261 PolarHBondContact OH-NE 3.48Å; Y259-R261 VanDerWaalsContact OH-NE 3.1Å; Y259-R261 PolarHBondContact OH-NH2 2.88Å
260	K	70.5	Confident	69.4	Low	89 Å²	89	91.6 Å²	91.6	39%	0.387	45%	0.449	S	S	.	.			trans	-71.9	125.3	172.6	179	173.6	177.4	-174.6	0	108.3	T243 Y262 E266	T243-K260 HydrophobicContact CG2-CB 3.66Å; K260-Y262 HydrophobicContact CB-CE2 4.35Å; K260-Y262 HydrophobicContact CD-CD1 4.13Å; K260-Y262 HydrophobicContact CD-CE1 3.74Å; K260-Y262 HydrophobicContact CG-CD1 4.39Å; K260-Y262 HydrophobicContact CG-CE1 4.25Å; K260-Y262 PolarHBondContact O-N 3.14Å; K260-E266 VanDerWaalsContact CE-OE1 3.25Å; K260-E266 WeakPolarHBondContact CE-OE1 3.5Å; K260-E266 IonicContact NZ-OE1 3.37Å; K260-E266 PolarHBondContact NZ-OE1 2.8Å
261	R	69.2	Low	68.9	Low	198 Å²	198	90.5 Å²	90.5	75%	0.747	45%	0.45	S	S	*	.			trans	-79.5	107.6	163.8	-78.9	-176.3	163	-180	-8.1	108.1	Y259	Y259-R261 HydrophobicContact CD2-CG 4.28Å; Y259-R261 HydrophobicContact CE2-CG 3.58Å; Y259-R261 PolarHBondContact O-N 2.93Å; Y259-R261 PolarHBondContact OH-NE 3.48Å; Y259-R261 VanDerWaalsContact OH-NE 3.1Å; Y259-R261 PolarHBondContact OH-NH2 2.88Å
262	Y	71.9	Confident	68.5	Low	112 Å²	112	94.1 Å²	94.1	44%	0.439	47%	0.469	S	S	.	.			trans	-74.5	134.5	173.9	-63.9	-84	0	0	0	110	K260 E266 L267 L270	K260-Y262 HydrophobicContact CB-CE2 4.35Å; K260-Y262 HydrophobicContact CD-CD1 4.13Å; K260-Y262 HydrophobicContact CD-CE1 3.74Å; K260-Y262 HydrophobicContact CG-CD1 4.39Å; K260-Y262 HydrophobicContact CG-CE1 4.25Å; K260-Y262 PolarHBondContact O-N 3.14Å; Y262-E266 HydrophobicContact CD1-CB 4.16Å; Y262-L267 HydrophobicContact CD2-CD2 4.29Å; Y262-L267 HydrophobicContact CG-CD2 4.03Å; Y262-L270 HydrophobicContact CD1-CD1 3.77Å; Y262-L270 HydrophobicContact CD2-CD1 4.39Å; Y262-L270 HydrophobicContact CE1-CD1 3.74Å; Y262-L270 HydrophobicContact CE2-CD1 4.37Å; Y262-L270 HydrophobicContact CG-CD1 4.1Å
263	S	74.8	Confident	68	Low	46 Å²	46	97 Å²	97	32%	0.322	48%	0.479	S	S	.	.			trans	-67.3	156.5	168.7	64.8	0	0	0	0	110.8	N265 E266 L267	S263-N265 PolarHBondContact O-N 3.19Å; S263-E266 WeakPolarHBondContact CB-OE2 3.37Å; S263-E266 PolarHBondContact N-OE2 3.35Å; S263-E266 PolarHBondContact O-N 2.67Å; S263-E266 VanDerWaalsContact O-N 3.07Å; S263-E266 VanDerWaalsContact OG-CG 3.28Å; S263-E266 WeakPolarHBondContact OG-CG 3.47Å; S263-E266 PolarHBondContact OG-N 2.91Å; S263-E266 PolarHBondContact OG-OE2 3.42Å; S263-L267 WeakPolarHBondContact O-CG 3.38Å; S263-L267 PolarHBondContact O-N 3.39Å
264	P	73.4	Confident	67.8	Low	100 Å²	100	100.1 Å²	100.1	65%	0.649	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-23.6	173.9	-27	35.3	0	0	0	114.2	R268	P264-R268 WeakPolarHBondContact O-CG 3.47Å
265	N	72.1	Confident	67.3	Low	100 Å²	100	98.7 Å²	98.7	54%	0.535	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-43.6	176.1	-71.3	-2.9	0	0	0	111.7	S263 L267 R268 Y269	S263-N265 PolarHBondContact O-N 3.19Å; N265-L267 VanDerWaalsContact C-N 3.31Å; N265-L267 PolarHBondContact O-N 3.1Å; N265-R268 WeakPolarHBondContact O-CB 3.28Å; N265-R268 PolarHBondContact O-N 2.91Å; N265-Y269 VanDerWaalsContact O-CD2 3.23Å; N265-Y269 WeakPolarHBondContact O-CD2 3.33Å; N265-Y269 WeakPolarHBondContact O-CE2 3.49Å
266	E	72.4	Confident	66.7	Low	69 Å²	69	101.5 Å²	101.5	32%	0.322	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-64.3	-35.8	177.4	-72	166.9	118.5	0	0	112.3	K260 Y262 S263 R268 Y269	K260-E266 VanDerWaalsContact CE-OE1 3.25Å; K260-E266 WeakPolarHBondContact CE-OE1 3.5Å; K260-E266 IonicContact NZ-OE1 3.37Å; K260-E266 PolarHBondContact NZ-OE1 2.8Å; Y262-E266 HydrophobicContact CD1-CB 4.16Å; S263-E266 WeakPolarHBondContact CB-OE2 3.37Å; S263-E266 PolarHBondContact N-OE2 3.35Å; S263-E266 PolarHBondContact O-N 2.67Å; S263-E266 VanDerWaalsContact O-N 3.07Å; S263-E266 VanDerWaalsContact OG-CG 3.28Å; S263-E266 WeakPolarHBondContact OG-CG 3.47Å; S263-E266 PolarHBondContact OG-N 2.91Å; S263-E266 PolarHBondContact OG-OE2 3.42Å; E266-R268 PolarHBondContact O-N 3.2Å; E266-Y269 PolarHBondContact O-N 3.49Å
267	L	69.3	Low	66.2	Low	74 Å²	74	101.5 Å²	101.5	39%	0.387	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-62.8	-23.2	177.4	-72.4	174.6	0	0	0	113.5	Y262 S263 N265 Y269 L270	Y262-L267 HydrophobicContact CD2-CD2 4.29Å; Y262-L267 HydrophobicContact CG-CD2 4.03Å; S263-L267 WeakPolarHBondContact O-CG 3.38Å; S263-L267 PolarHBondContact O-N 3.39Å; N265-L267 VanDerWaalsContact C-N 3.31Å; N265-L267 PolarHBondContact O-N 3.1Å; L267-Y269 PolarHBondContact O-N 2.96Å; L267-L270 HydrophobicContact CD2-CD1 4.15Å; L267-L270 PolarHBondContact O-N 2.84Å
268	R	68.9	Low	65.7	Low	106 Å²	106	106.8 Å²	106.8	40%	0.4	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-71	-20.8	-178.9	-69.9	172.2	-178.9	-152.7	-0.6	113.8	P264 N265 E266 L276 Y277	P264-R268 WeakPolarHBondContact O-CG 3.47Å; N265-R268 WeakPolarHBondContact O-CB 3.28Å; N265-R268 PolarHBondContact O-N 2.91Å; E266-R268 PolarHBondContact O-N 3.2Å; R268-L276 PolarHBondContact O-N 2.87Å; R268-L276 VanDerWaalsContact O-N 3.12Å; R268-Y277 HydrophobicContact CB-CD2 3.92Å; R268-Y277 HydrophobicContact CG-CD2 4.37Å
269	Y	69.9	Low	65.2	Low	84 Å²	84	104.6 Å²	104.6	33%	0.329	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-97.1	-11.6	179.8	-51.5	-72.2	0	0	0	112.5	N265 E266 L267 Y277 E278 P280	N265-Y269 VanDerWaalsContact O-CD2 3.23Å; N265-Y269 WeakPolarHBondContact O-CD2 3.33Å; N265-Y269 WeakPolarHBondContact O-CE2 3.49Å; E266-Y269 PolarHBondContact O-N 3.49Å; L267-Y269 PolarHBondContact O-N 2.96Å; Y269-Y277 HydrophobicContact CE1-CG 4.45Å; Y269-E278 WeakPolarHBondContact CD1-O 3.3Å; Y269-E278 VanDerWaalsContact CE1-O 3.24Å; Y269-E278 WeakPolarHBondContact CE1-O 3.41Å; Y269-P280 HydrophobicContact CE1-CG 4.37Å; Y269-P280 HydrophobicContact CE2-CG 4.48Å
270	L	65.2	Low	64.8	Low	60 Å²	60	106 Å²	106	31%	0.314	55%	0.545	S	S	.	.	S	Bend	trans	-84.2	142.1	-179.8	-76.4	168	0	0	0	110.5	Y262 L267 L272	Y262-L270 HydrophobicContact CD1-CD1 3.77Å; Y262-L270 HydrophobicContact CD2-CD1 4.39Å; Y262-L270 HydrophobicContact CE1-CD1 3.74Å; Y262-L270 HydrophobicContact CE2-CD1 4.37Å; Y262-L270 HydrophobicContact CG-CD1 4.1Å; L267-L270 HydrophobicContact CD2-CD1 4.15Å; L267-L270 PolarHBondContact O-N 2.84Å; L270-L272 PolarHBondContact O-N 3.39Å
271	P	60.5	Low	64.1	Low	108 Å²	108	109.8 Å²	109.8	70%	0.701	57%	0.569	S	S	*	*			trans	-77.3	68.7	-177.5	32.4	-35.1	0	0	0	110.6	N273	P271-N273 PolarHBondContact O-N 2.82Å
272	L	56.9	Low	63.4	Low	134 Å²	134	104.9 Å²	104.9	70%	0.702	56%	0.557	S	S	*	*	S	Bend	trans	-96.1	76.6	162.8	-64.1	174	0	0	0	106.9	L270 T274	L270-L272 PolarHBondContact O-N 3.39Å; L272-T274 VanDerWaalsContact C-N 3.27Å; L272-T274 PolarHBondContact O-N 3.3Å
273	N	54.8	Low	62.5	Low	163 Å²	163	105.6 Å²	105.6	87%	0.872	58%	0.576	S	S	*	*	S	Bend	trans	60.5	-2.2	172	-68.6	-18.6	0	0	0	120.5	P271	P271-N273 PolarHBondContact O-N 2.82Å
274	T	56.7	Low	61.4	Low	118 Å²	118	111.7 Å²	111.7	72%	0.724	60%	0.599	S	S	*	*	S	Bend	trans	-172.8	106.3	155.4	11	0	0	0	0	107	L272 L276	L272-T274 VanDerWaalsContact C-N 3.27Å; L272-T274 PolarHBondContact O-N 3.3Å; T274-L276 PolarHBondContact O-N 3.49Å
275	A	55.3	Low	60.1	Low	56 Å²	56	112.9 Å²	112.9	46%	0.463	60%	0.599	S	S	.	*			trans	-60.1	125.4	172	0	0	0	0	0	108.3	Y277	A275-Y277 VanDerWaalsContact C-N 3.3Å
276	L	60.1	Low	58.8	Low	127 Å²	127	113.8 Å²	113.8	67%	0.665	61%	0.61	S	S	*	*	S	Bend	trans	-80	-19.1	-179.2	-73.3	171.8	0	0	0	111.7	R268 T274	R268-L276 PolarHBondContact O-N 2.87Å; R268-L276 VanDerWaalsContact O-N 3.12Å; T274-L276 PolarHBondContact O-N 3.49Å
277	Y	60.8	Low	57.2	Low	125 Å²	125	115 Å²	115	49%	0.49	63%	0.632	S	S	.	*	S	Bend	trans	-143.2	148	-177	-63.7	-90.9	0	0	0	109.8	R268 Y269 A275	R268-Y277 HydrophobicContact CB-CD2 3.92Å; R268-Y277 HydrophobicContact CG-CD2 4.37Å; Y269-Y277 HydrophobicContact CE1-CG 4.45Å; A275-Y277 VanDerWaalsContact C-N 3.3Å
278	E	60.9	Low	55.8	Low	175 Å²	175	116.7 Å²	116.7	82%	0.818	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-63.2	137.1	171.9	-71.8	177.1	174.9	0	0	110	Y269	Y269-E278 WeakPolarHBondContact CD1-O 3.3Å; Y269-E278 VanDerWaalsContact CE1-O 3.24Å; Y269-E278 WeakPolarHBondContact CE1-O 3.41Å
279	P	58.8	Low	54.3	Low	87 Å²	87	118.6 Å²	118.6	57%	0.565	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-54.1	140	174.5	-23.4	32.9	0	0	0	110.5	L281	P279-L281 PolarHBondContact O-N 3.37Å
280	P	58.5	Low	52.6	Low	95 Å²	95	120 Å²	120	62%	0.617	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-54.5	126.8	172.2	-21.3	31.8	0	0	0	109.6	Y269 D282	Y269-P280 HydrophobicContact CE1-CG 4.37Å; Y269-P280 HydrophobicContact CE2-CG 4.48Å; P280-D282 PolarHBondContact O-N 2.95Å
281	L	55.3	Low	51.5	Low	169 Å²	169	125 Å²	125	89%	0.885	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-59.1	124.8	174.3	-72.8	165.1	0	0	0	108.7	P279 P283	P279-L281 PolarHBondContact O-N 3.37Å; L281-P283 WeakPolarHBondContact O-CD 3.44Å
282	D	54.1	Low	50.6	Low	94 Å²	94	125.4 Å²	125.4	50%	0.503	71%	0.713	S	S	.	*	P	Polyproline II helix	trans	-67.6	121.5	177.9	-161.1	-10.1	0	0	0	109.3	P280 E284 L285	P280-D282 PolarHBondContact O-N 2.95Å; D282-E284 PolarHBondContact O-N 3.34Å; D282-E284 VanDerWaalsContact O-N 3.13Å; D282-L285 HydrophobicContact CB-CD1 3.91Å; D282-L285 HydrophobicContact CB-CG 3.98Å; D282-L285 PolarHBondContact O-N 3.13Å
283	P	54.9	Low	49.4	Very low	127 Å²	127	125.7 Å²	125.7	83%	0.825	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-15.1	179	-20.7	32.4	0	0	0	114.1	L281	L281-P283 WeakPolarHBondContact O-CD 3.44Å
284	E	50.5	Low	48.6	Very low	175 Å²	175	123.3 Å²	123.3	82%	0.818	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	1.4	-178.6	-67.8	-162	164.3	0	0	114.6	D282 P286	D282-E284 PolarHBondContact O-N 3.34Å; D282-E284 VanDerWaalsContact O-N 3.13Å; E284-P286 WeakPolarHBondContact O-CD 3.28Å
285	L	45.8	Very low	47.6	Very low	125 Å²	125	124.5 Å²	124.5	65%	0.654	71%	0.713	S	S	*	*	S	Bend	trans	-88.4	119.8	172.6	-70.7	174.9	0	0	0	110.4	D282 A287	D282-L285 HydrophobicContact CB-CD1 3.91Å; D282-L285 HydrophobicContact CB-CG 3.98Å; D282-L285 PolarHBondContact O-N 3.13Å; L285-A287 PolarHBondContact O-N 2.9Å
286	P	44.8	Very low	46.5	Very low	118 Å²	118	129.8 Å²	129.8	77%	0.766	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-60	131.5	173.5	-16.9	29.2	0	0	0	109.9	E284	E284-P286 WeakPolarHBondContact O-CD 3.28Å
287	A	40.1	Very low	45.5	Very low	94 Å²	94	127.5 Å²	127.5	78%	0.777	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-59.9	137.4	173.8	0	0	0	0	0	110	L285 D289	L285-A287 PolarHBondContact O-N 2.9Å; A287-D289 PolarHBondContact O-N 3.07Å
288	P	38.7	Very low	44.3	Very low	111 Å²	111	128.9 Å²	128.9	72%	0.721	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-72.7	123.9	175.8	0.6	14.6	0	0	0	110.2
289	D	37.7	Very low	43	Very low	146 Å²	146	128.8 Å²	128.8	78%	0.781	75%	0.748	S	S	*	*			trans	70	96.6	142.2	-42.7	-23.5	0	0	0	118.7	A287	A287-D289 PolarHBondContact O-N 3.07Å
290	S	35	Very low	41.7	Very low	114 Å²	114	128.3 Å²	128.3	80%	0.797	75%	0.751	S	S	*	*			trans	-132.4	97.2	140.2	57	0	0	0	0	108.8
291	E	40.8	Very low	40.5	Very low	165 Å²	165	133 Å²	133	77%	0.771	76%	0.762	S	S	*	*			trans	-46.4	137.5	162.4	-67.6	-72.1	149.9	0	0	110.4
292	P	42.3	Very low	39.5	Very low	116 Å²	116	131.6 Å²	131.6	75%	0.753	76%	0.755	S	S	*	*				-146	130.9	90.8	34.4	-16.1	0	0	0	115.6
293	D	31.2	Very low	38.6	Very low	140 Å²	140	133.4 Å²	133.4	75%	0.749	77%	0.765	S	S	*	*				29.9	103.1	118.7	-148.7	14.1	0	0	0	118.6
294	S	38.3	Very low	37.7	Very low	113 Å²	113	137.2 Å²	137.2	79%	0.79	77%	0.769	S	S	*	*			trans	-176.2	130.7	131	65.1	0	0	0	0	111.9
295	D	35.2	Very low	36.7	Very low	142 Å²	142	134.9 Å²	134.9	76%	0.759	76%	0.762	S	S	*	*			trans	-56	142.9	178.6	-53.9	-61.7	0	0	0	115.2
296	D	33.6	Very low	36	Very low	167 Å²	167	136.8 Å²	136.8	89%	0.893	77%	0.773	S	S	*	*				170.6	149	115.3	-101.3	-55.3	0	0	0	112.6
297	A	39.1	Very low	35.4	Very low	79 Å²	79	138.8 Å²	138.8	65%	0.653	77%	0.77	S	S	*	*			trans	-71.3	149.9	-170.6	0	0	0	0	0	115.2
298	D	33.8	Very low	34.9	Very low	155 Å²	155	141.5 Å²	141.5	83%	0.829	77%	0.771	S	S	*	*				167.6	155.1	100.9	-106.7	-41.3	0	0	0	114.7
299	E	33.9	Very low	34.6	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.804	77%	0.766	S	S	*	*			trans	-20.5	151.6	174.3	-67.6	-135.8	140.1	0	0	125.7
300	A	32	Very low	34.6	Very low	77 Å²	77	138.1 Å²	138.1	64%	0.636	76%	0.762	S	S	*	*			trans	84.7	129.3	130.7	0	0	0	0	0	123.2
301	K	34.5	Very low	34.3	Very low	195 Å²	195	139.5 Å²	139.5	85%	0.848	76%	0.76	S	S	*	*			trans	49	141.5	139.1	-62.5	180	178	175.9	0	118
302	D	32.6	Very low	34	Very low	138 Å²	138	137 Å²	137	74%	0.738	76%	0.761	S	S	*	*				-178.9	166.1	55.9	-143.6	-47.8	0	0	0	109.2
303	D	36.3	Very low	33.7	Very low	133 Å²	133	136.3 Å²	136.3	71%	0.711	76%	0.759	S	S	*	*			trans	-46.4	153.6	175.6	-84.2	-69.8	0	0	0	116.4
304	K	35.1	Very low	34.1	Very low	206 Å²	206	135 Å²	135	90%	0.896	76%	0.761	S	S	*	*				-165.6	96.3	129.7	-104.4	158.5	-166.7	175.4	0	114.3
305	N	30.1	Very low	33.7	Very low	127 Å²	127	132.8 Å²	132.8	68%	0.679	76%	0.756	S	S	*	*			trans	-26.5	134.8	137.2	-157.9	8.7	0	0	0	114.4
306	N	30.3	Very low	33.6	Very low	165 Å²	165	134.3 Å²	134.3	88%	0.882	76%	0.764	S	S	*	*			trans	-149.1	107.9	142.4	-142.8	12.5	0	0	0	112.1
307	K	33.9	Very low	33.5	Very low	160 Å²	160	130.8 Å²	130.8	70%	0.696	76%	0.757	S	S	*	*			trans	-82.8	148.5	160.1	-78.1	172	172.7	170.2	0	109.1
308	N	28.7	Very low	33.3	Very low	150 Å²	150	131.8 Å²	131.8	80%	0.802	76%	0.76	S	S	*	*				-170.4	118.5	129.1	-108.5	32.5	0	0	0	108.1
309	S	31.6	Very low	33.2	Very low	88 Å²	88	131.7 Å²	131.7	62%	0.615	76%	0.759	S	S	*	*				77.9	103	76	-61.9	0	0	0	0	110.8
310	S	37.6	Very low	33.3	Very low	99 Å²	99	128.8 Å²	128.8	69%	0.692	75%	0.753	S	S	*	*				77.2	140.9	98.3	69.8	0	0	0	0	112.1
311	D	29.4	Very low	33.2	Very low	142 Å²	142	133 Å²	133	76%	0.759	76%	0.76	S	S	*	*			cis	-175.1	158.9	14.9	-107.2	-25	0	0	0	108.2
312	S	34	Very low	33	Very low	113 Å²	113	128.1 Å²	128.1	79%	0.79	75%	0.75	S	S	*	*			trans	60.1	149	140	-62.9	0	0	0	0	121.3
313	S	37.2	Very low	33	Very low	101 Å²	101	131 Å²	131	71%	0.706	76%	0.759	S	S	*	*			cis	-176.1	168.5	-0.7	178.7	0	0	0	0	109.3
314	S	39.1	Very low	32.5	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	77%	0.77	S	S	*	*			trans	74.4	139.8	153.5	-36.5	0	0	0	0	118
315	G	29.5	Very low	32.1	Very low	66 Å²	66	128.5 Å²	128.5	68%	0.68	77%	0.768	S	S	*	*			cis	126.2	117.8	15.9	0	0	0	0	0	110
316	N	33.9	Very low	31.8	Very low	174 Å²	174	126.7 Å²	126.7	93%	0.93	78%	0.78	S	S	*	*			trans	153.4	149.8	139.2	-85.9	19.6	0	0	0	117.3
317	A	31	Very low	31.5	Very low	92 Å²	92	122.8 Å²	122.8	76%	0.76	78%	0.779	S	S	*	*			trans	-75.3	173.7	166	0	0	0	0	0	111.9
318	S	35.2	Very low	31	Very low	101 Å²	101	118.6 Å²	118.6	71%	0.706	78%	0.781	S	S	*	*			cis	-178.2	160.9	40.2	45.3	0	0	0	0	112
319	D	32.2	Very low	31	Very low	153 Å²	153	120.9 Å²	120.9	82%	0.818	79%	0.786	S	S	*	*			trans	53.9	151.8	143.6	-82.2	-50.5	0	0	0	122.3
320	V	34.4	Very low	30.7	Very low	110 Å²	110	127.9 Å²	127.9	67%	0.667	80%	0.799	S	S	*	*			cis	-171.3	164.3	24.6	89.7	0	0	0	0	114.7
321	E	31.4	Very low	30.3	Very low	167 Å²	167	132.4 Å²	132.4	78%	0.78	81%	0.809	S	S	*	*			trans	65.8	156	151.2	-70.9	-164.5	92.3	0	0	124.9
322	S	30.8	Very low	30.1	Very low	92 Å²	92	134.9 Å²	134.9	64%	0.643	81%	0.813	S	S	*	*			cis	-172.4	167.8	-6.7	-100.5	0	0	0	0	112.3
323	Q	31.2	Very low	29.7	Very low	198 Å²	198	134.7 Å²	134.7	93%	0.925	81%	0.811	S	S	*	*			trans	126.6	146.2	143.8	-74.4	-165.8	-7.4	0	0	122.3
324	E	27	Very low	29.1	Very low	203 Å²	203	139.9 Å²	139.9	95%	0.949	82%	0.821	S	S	*	*			trans	-96.2	172.5	-156.9	-54.1	-173	130.6	0	0	117.2
325	G	25.8	Very low	28.6	Very low	83 Å²	83	139.1 Å²	139.1	86%	0.856	82%	0.822	S	S	*	*			trans	171.5	118.5	155	0	0	0	0	0	114
326	G	23.9	Very low	28.6	Very low	89 Å²	89	145.1 Å²	145.1	92%	0.918	83%	0.83	S	S	*	*			trans	-98.4	177.5	-172.7	0	0	0	0	0	117.4
327	G	23.8	Very low	28.1	Very low	84 Å²	84	143.5 Å²	143.5	87%	0.866	82%	0.821	S	S	*	*			trans	162.1	112.1	168.3	0	0	0	0	0	113.3
328	G	23.8	Very low	28.1	Very low	71 Å²	71	149.6 Å²	149.6	73%	0.732	82%	0.824	S	S	*	*			trans	-92.9	159.5	-177.9	0	0	0	0	0	114.7
329	H	27.9	Very low	27.7	Very low	198 Å²	198	150.7 Å²	150.7	92%	0.917	83%	0.827	S	S	*	*			trans	-152.2	136.2	158.4	-105.7	30.6	0	0	0	112
330	R	25.7	Very low	27.7	Very low	236 Å²	236	149 Å²	149	89%	0.891	83%	0.827	S	S	*	*			trans	-84.4	138.9	177.3	-60.2	164.6	92.1	-157.5	12	109
331	H	28.8	Very low	27.5	Very low	194 Å²	194	150 Å²	150	90%	0.898	83%	0.834	S	S	*	*			trans	-150.4	143.9	149.2	-103.9	-76.1	0	0	0	112.4
332	K	24.7	Very low	27.7	Very low	194 Å²	194	148.4 Å²	148.4	84%	0.843	84%	0.838	S	S	*	*			trans	-120.7	128.9	-165.9	176.7	-171.6	-173.5	179.4	0	107.4
333	S	26.4	Very low	27.6	Very low	108 Å²	108	147.6 Å²	147.6	76%	0.755	84%	0.844	S	S	*	*			trans	-179.5	111.9	155.7	13.4	0	0	0	0	109.6
334	K	25.4	Very low	27.6	Very low	210 Å²	210	147.8 Å²	147.8	91%	0.913	84%	0.841	S	S	*	*				80.6	107.5	85.9	-86.5	-166.4	173.4	-177.5	0	113.7
335	A	28.1	Very low	28.3	Very low	99 Å²	99	146 Å²	146	82%	0.818	84%	0.838	S	S	*	*			trans	-56.7	149.6	161.7	0	0	0	0	0	112.5
336	K	28.7	Very low	28.9	Very low	192 Å²	192	149.4 Å²	149.4	84%	0.835	83%	0.832	S	S	*	*			trans	-151	102.1	151.4	-127.9	178.7	-176.6	-179.3	0	110.5
337	D	23.9	Very low	29.7	Very low	140 Å²	140	157.3 Å²	157.3	75%	0.749	83%	0.834	S	S	*	*			trans	-65.3	138.7	164.4	-159.4	-21.6	0	0	0	109.9
338	R	31.4	Very low	30.7	Very low	220 Å²	220	156.7 Å²	156.7	83%	0.83	81%	0.809	S	S	*	*			trans	-148.6	97.7	166.7	-85.4	-161.6	157.6	-169.2	-8	110.3
339	T	27.2	Very low	31.8	Very low	124 Å²	124	157.3 Å²	157.3	76%	0.761	80%	0.802	S	S	*	*			trans	-53.7	142.3	161.3	-31	0	0	0	0	111.8
340	S	30.6	Very low	32.9	Very low	117 Å²	117	149.7 Å²	149.7	82%	0.818	77%	0.767	S	S	*	*			trans	-150.7	123	162	-64.2	0	0	0	0	110.4
341	T	32	Very low	34.4	Very low	132 Å²	132	146.1 Å²	146.1	81%	0.81	76%	0.757	S	S	*	*			trans	-74.2	160.1	177	29.3	0	0	0	0	113
342	P	34.5	Very low	35.8	Very low	133 Å²	133	139.7 Å²	139.7	86%	0.864	74%	0.738	S	S	*	*			trans	-97.3	152.2	-169.5	36.9	-31.2	0	0	0	113.4
343	G	30	Very low	37.8	Very low	75 Å²	75	133.5 Å²	133.5	77%	0.773	72%	0.717	S	S	*	*			trans	-158.7	115.1	172.7	0	0	0	0	0	114.2
344	K	30.8	Very low	39.4	Very low	201 Å²	201	134.3 Å²	134.3	87%	0.874	72%	0.719	S	S	*	*			trans	83.5	130.2	153.6	-70	-175.5	174.9	-179.5	0	121.3
345	D	40	Very low	41.4	Very low	166 Å²	166	128 Å²	128	89%	0.888	71%	0.714	S	S	*	*			trans	-34.6	122.2	172.4	-64.7	-77.2	0	0	0	115.3
346	Q	38.5	Very low	43.7	Very low	155 Å²	155	125.6 Å²	125.6	72%	0.724	68%	0.684	S	S	*	*			trans	-143.5	114.8	166.2	-137.2	171.9	71.8	0	0	109.7	H348	Q346-H348 PolarHBondContact O-CE1 3.26Å; Q346-H348 PolarHBondContact O-N 2.95Å; Q346-H348 VanDerWaalsContact O-N 3.15Å; Q346-H348 PolarHBondContact O-ND1 3.26Å; Q346-H348 VanDerWaalsContact O-ND1 3.1Å; Q346-H348 PolarHBondContact O-NE2 2.82Å
347	R	42.1	Very low	45.9	Very low	254 Å²	254	125.1 Å²	125.1	96%	0.958	68%	0.682	S	S	*	*			trans	-55.2	118.5	172.2	-65	179.5	-177.7	-167.5	-1.2	108.8
348	H	43.7	Very low	48.5	Very low	71 Å²	71	121.5 Å²	121.5	33%	0.329	67%	0.666	S	S	.	*			trans	-88.2	127	-167.9	-69.8	-43	0	0	0	112.8	Q346 T423 R426 V463	Q346-H348 PolarHBondContact O-CE1 3.26Å; Q346-H348 PolarHBondContact O-N 2.95Å; Q346-H348 VanDerWaalsContact O-N 3.15Å; Q346-H348 PolarHBondContact O-ND1 3.26Å; Q346-H348 VanDerWaalsContact O-ND1 3.1Å; Q346-H348 PolarHBondContact O-NE2 2.82Å; H348-T423 HydrophobicContact CB-CG2 4.3Å; H348-T423 PolarHBondContact CD2-O 2.88Å; H348-T423 PolarHBondContact NE2-O 3.45Å; H348-T423 VanDerWaalsContact NE2-O 3.17Å; H348-R426 PolarHBondContact CE1-NH2 3.5Å; H348-R426 PolarHBondContact ND1-NH2 3.05Å; H348-R426 PolarHBondContact NE2-NE 3.21Å; H348-R426 PolarHBondContact NE2-NH2 2.83Å; H348-V463 WeakPolarHBondContact O-CG2 3.42Å
349	S	47.4	Very low	50.7	Low	85 Å²	85	114.6 Å²	114.6	59%	0.594	64%	0.642	S	S	*	*			trans	-107	142.8	174.5	175.2	0	0	0	0	109.8	K351	S349-K351 PolarHBondContact O-N 3.07Å
350	H	51.8	Low	53.3	Low	37 Å²	37	114.7 Å²	114.7	17%	0.171	64%	0.642	C	S	.	*			trans	-75.9	58.5	171	-71.2	-16.2	0	0	0	109.6	A352 C440 R442 C461 V463 C464	H350-A352 PolarHBondContact O-N 2.87Å; H350-C440 PolarHBondContact NE2-SG 2.83Å; H350-C440 VanDerWaalsContact NE2-SG 3.44Å; H350-R442 PolarHBondContact CE1-NH1 3.15Å; H350-R442 PolarHBondContact ND1-NH1 3.06Å; H350-C461 PolarHBondContact NE2-SG 2.87Å; H350-V463 HydrophobicContact CB-CB 4.46Å; H350-V463 HydrophobicContact CB-CG1 3.44Å; H350-V463 VanDerWaalsContact CB-CG1 3.44Å; H350-V463 WeakPolarHBondContact CD2-CB 3.3Å; H350-V463 WeakPolarHBondContact CD2-CG1 3.18Å; H350-V463 VanDerWaalsContact N-CG1 3.26Å; H350-V463 WeakPolarHBondContact NE2-CB 3.37Å; H350-C464 PolarHBondContact CD2-N 3.2Å; H350-C464 VanDerWaalsContact CD2-SG 3.52Å; H350-C464 PolarHBondContact NE2-N 3.26Å; H350-C464 PolarHBondContact NE2-SG 3.09Å
351	K	56.3	Low	55.8	Low	161 Å²	161	111.2 Å²	111.2	70%	0.7	61%	0.614	S	S	*	*			trans	-73.4	121.3	166.3	-73.2	-175.1	179.6	179.6	0	107.4	S349 T353	S349-K351 PolarHBondContact O-N 3.07Å; K351-T353 PolarHBondContact O-N 2.86Å
352	A	58.5	Low	58	Low	60 Å²	60	110 Å²	110	50%	0.496	61%	0.609	S	S	.	*			trans	-43.7	126.7	156.6	0	0	0	0	0	106.8	H350 P354	H350-A352 PolarHBondContact O-N 2.87Å; A352-P354 WeakPolarHBondContact O-CD 3.17Å; A352-P354 VanDerWaalsContact O-N 3.08Å
353	T	67.1	Low	60.3	Low	64 Å²	64	111.5 Å²	111.5	39%	0.393	61%	0.609	S	S	.	*			trans	-70.2	112	-174.3	-55.1	0	0	0	0	106.5	K351 G355 Y356 T411	K351-T353 PolarHBondContact O-N 2.86Å; T353-G355 PolarHBondContact O-N 3.29Å; T353-G355 VanDerWaalsContact O-N 3.08Å; T353-Y356 WeakPolarHBondContact O-CB 3.45Å; T353-Y356 PolarHBondContact O-N 3.46Å; T353-T411 PolarHBondContact N-O 3.36Å
354	P	60.2	Low	63.1	Low	125 Å²	125	108.8 Å²	108.8	81%	0.812	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	120	-171.2	-23.5	34.8	0	0	0	110	A352	A352-P354 WeakPolarHBondContact O-CD 3.17Å; A352-P354 VanDerWaalsContact O-N 3.08Å
355	G	66.6	Low	65.9	Low	77 Å²	77	104.1 Å²	104.1	79%	0.794	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.4	12.7	-178.2	0	0	0	0	0	115.9	T353 K357	T353-G355 PolarHBondContact O-N 3.29Å; T353-G355 VanDerWaalsContact O-N 3.08Å; G355-K357 PolarHBondContact O-N 2.83Å
356	Y	77.3	Confident	68.5	Low	48 Å²	48	96.2 Å²	96.2	19%	0.188	52%	0.521	C	S	.	.			trans	-67.4	123.7	172.4	-179.8	-106.8	0	0	0	111	T353 P358 Y412 R413	T353-Y356 WeakPolarHBondContact O-CB 3.45Å; T353-Y356 PolarHBondContact O-N 3.46Å; Y356-P358 HydrophobicContact CE1-CG 4.43Å; Y356-Y412 WeakPolarHBondContact CE1-O 3.19Å; Y356-R413 HydrophobicContact CD2-CG 3.91Å; Y356-R413 HydrophobicContact CE2-CB 4.4Å; Y356-R413 HydrophobicContact CE2-CG 3.56Å
357	K	74.3	Confident	70.8	Confident	183 Å²	183	91.7 Å²	91.7	80%	0.796	52%	0.516	S	S	*	.			trans	-105.7	126.2	169	-65.3	-175.2	-179.9	-178	0	107.6	G355 K359	G355-K357 PolarHBondContact O-N 2.83Å; K357-K359 PolarHBondContact O-N 3.22Å
358	P	77.4	Confident	73.2	Confident	64 Å²	64	83.1 Å²	83.1	42%	0.416	49%	0.488	S	S	.	.			trans	-51.7	139	174	-27.6	34.9	0	0	0	111.3	Y356 V360 Q410	Y356-P358 HydrophobicContact CE1-CG 4.43Å; P358-V360 PolarHBondContact O-N 3.47Å; P358-Q410 HydrophobicContact CG-CB 4.32Å
359	K	79.4	Confident	75.5	Confident	74 Å²	74	80.9 Å²	80.9	32%	0.322	48%	0.48	S	S	.	.			trans	-60.1	125.1	174.3	-173.3	-178.8	177	-171.3	0	107.4	K357 I361 H386 C390 D391	K357-K359 PolarHBondContact O-N 3.22Å; K359-I361 HydrophobicContact CD-CD1 4.08Å; K359-I361 HydrophobicContact CD-CG1 4.22Å; K359-I361 HydrophobicContact CG-CD1 4.45Å; K359-I361 HydrophobicContact CG-CG1 4.05Å; K359-H386 HydrophobicContact CB-CB 4.35Å; K359-H386 PolarHBondContact O-CD2 3.43Å; K359-C390 PolarHBondContact NZ-O 3.18Å; K359-C390 VanDerWaalsContact NZ-O 3.08Å; K359-D391 IonicContact NZ-OD1 2.77Å; K359-D391 PolarHBondContact NZ-OD1 3.27Å
360	V	80.7	Confident	77.6	Confident	127 Å²	127	84.4 Å²	84.4	77%	0.77	49%	0.487	S	S	*	.			trans	-107.4	115.8	174.2	-179	0	0	0	0	107.7	P358	P358-V360 PolarHBondContact O-N 3.47Å
361	I	82.8	Confident	79.3	Confident	43 Å²	43	87 Å²	87	22%	0.221	50%	0.498	C	S	.	.			trans	-106.9	107.7	177.1	-55.8	175.8	0	0	0	107.7	K359 A364 H386	K359-I361 HydrophobicContact CD-CD1 4.08Å; K359-I361 HydrophobicContact CD-CG1 4.22Å; K359-I361 HydrophobicContact CG-CD1 4.45Å; K359-I361 HydrophobicContact CG-CG1 4.05Å; I361-A364 HydrophobicContact CB-CB 3.99Å; I361-A364 HydrophobicContact CG2-CB 4.01Å; I361-A364 WeakPolarHBondContact O-CB 3.37Å; I361-A364 PolarHBondContact O-N 2.92Å; I361-H386 HydrophobicContact CD1-CB 4.26Å
362	P	78	Confident	81	Confident	108 Å²	108	80.5 Å²	80.5	70%	0.701	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	138.9	176.4	25.1	-30.7	0	0	0	109.9	A364	P362-A364 PolarHBondContact O-N 3.09Å
363	N	83.9	Confident	82.4	Confident	164 Å²	164	84 Å²	84	88%	0.877	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	24	-177.5	-53.8	-25.8	0	0	0	115.4
364	A	87.6	Confident	83.4	Confident	17 Å²	17	87.5 Å²	87.5	14%	0.14	49%	0.492	C	S	.	.			trans	-61.8	138.7	171.7	0	0	0	0	0	111.9	I361 P362 L384	I361-A364 HydrophobicContact CB-CB 3.99Å; I361-A364 HydrophobicContact CG2-CB 4.01Å; I361-A364 WeakPolarHBondContact O-CB 3.37Å; I361-A364 PolarHBondContact O-N 2.92Å; P362-A364 PolarHBondContact O-N 3.09Å; A364-L384 HydrophobicContact CB-CD2 4.35Å
365	I	91.2	Very high	84.8	Confident	104 Å²	104	82.8 Å²	82.8	53%	0.533	46%	0.464	S	S	.	.			trans	-109.2	147.6	173.9	55.8	170.8	0	0	0	109.6	G367	I365-G367 PolarHBondContact O-N 3.46Å
366	C	93.1	Very high	85.9	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	43%	0.429	C	S	.	.			trans	-71.4	127.3	176.2	171.7	0	0	0	0	109.8	I368 Q370 K371 L384 S393 H395	C366-I368 PolarHBondContact O-N 3.42Å; C366-I368 VanDerWaalsContact O-N 3.12Å; C366-I368 PolarHBondContact SG-N 2.92Å; C366-I368 VanDerWaalsContact SG-N 3.42Å; C366-Q370 WeakPolarHBondContact O-CA 3.3Å; C366-Q370 PolarHBondContact O-N 2.82Å; C366-K371 WeakPolarHBondContact CB-O 3.42Å; C366-K371 PolarHBondContact N-O 3.39Å; C366-L384 HydrophobicContact CB-CD2 4.06Å; C366-S393 CarbonylContact C-O 3.58Å; C366-S393 WeakPolarHBondContact CA-O 3.15Å; C366-H395 VanDerWaalsContact CB-CE1 3.44Å; C366-H395 WeakPolarHBondContact CB-CE1 3.41Å; C366-H395 VanDerWaalsContact CB-ND1 3.28Å; C366-H395 WeakPolarHBondContact CB-ND1 3.39Å
367	G	88.6	Confident	86.4	Confident	60 Å²	60	85.3 Å²	85.3	62%	0.619	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.2	178.5	0	0	0	0	0	114.7	I365 S393	I365-G367 PolarHBondContact O-N 3.46Å; G367-S393 PolarHBondContact N-O 2.81Å
368	I	91.6	Very high	87	Confident	74 Å²	74	86.7 Å²	86.7	38%	0.379	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-44.7	-176.4	-59.1	173.1	0	0	0	111.7	C366 C398 L399	C366-I368 PolarHBondContact O-N 3.42Å; C366-I368 VanDerWaalsContact O-N 3.12Å; C366-I368 PolarHBondContact SG-N 2.92Å; C366-I368 VanDerWaalsContact SG-N 3.42Å; I368-C398 HydrophobicContact CB-CB 4.1Å; I368-C398 HydrophobicContact CD1-CB 4.01Å; I368-C398 WeakPolarHBondContact CD1-O 3.41Å; I368-C398 HydrophobicContact CG2-CB 4.25Å; I368-L399 HydrophobicContact CD1-CD2 3.7Å; I368-L399 HydrophobicContact CD1-CG 4.31Å
369	C	91.7	Very high	87.5	Confident	23 Å²	23	86 Å²	86	16%	0.155	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-4	-176.3	79.1	0	0	0	0	114.4	K371 R377 H395	C369-K371 PolarHBondContact O-N 3.23Å; C369-R377 HydrophobicContact CB-CB 4.24Å; C369-H395 PolarHBondContact SG-CE1 3.34Å; C369-H395 PolarHBondContact SG-ND1 3.45Å
370	Q	91	Very high	87.9	Confident	159 Å²	159	90.8 Å²	90.8	74%	0.743	47%	0.471	S	S	*	.			trans	58.2	14.6	-179.9	-58	-179.6	-2.7	0	0	115.2	C366	C366-Q370 WeakPolarHBondContact O-CA 3.3Å; C366-Q370 PolarHBondContact O-N 2.82Å
371	K	89.2	Confident	88.3	Confident	92 Å²	92	89.5 Å²	89.5	40%	0.4	47%	0.465	S	S	.	.			trans	-102.7	153.7	176	-60.8	176.8	-174.8	-177.3	0	111	C366 C369 A375 H395	C366-K371 WeakPolarHBondContact CB-O 3.42Å; C366-K371 PolarHBondContact N-O 3.39Å; C369-K371 PolarHBondContact O-N 3.23Å; K371-A375 WeakPolarHBondContact CB-O 3.42Å; K371-A375 HydrophobicContact CD-CB 4.18Å; K371-A375 WeakPolarHBondContact CD-O 3.38Å; K371-H395 PolarHBondContact O-CE1 3.44Å
372	G	90.2	Very high	88.7	Confident	25 Å²	25	89.3 Å²	89.3	26%	0.258	46%	0.464	S	S	.	.			trans	-80.4	-166.9	177.3	0	0	0	0	0	113.5	E374 A375 H395	G372-E374 PolarHBondContact O-N 3.47Å; G372-A375 PolarHBondContact O-N 3.44Å; G372-H395 PolarHBondContact O-CE1 2.62Å; G372-H395 PolarHBondContact O-NE2 3.32Å
373	K	89.1	Confident	89.2	Confident	133 Å²	133	87.6 Å²	87.6	58%	0.578	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.9	179.2	66.9	-177	-175.3	179.6	0	114.7	A375 E382 L384	K373-A375 VanDerWaalsContact C-N 3.34Å; K373-E382 WeakPolarHBondContact CA-O 3.38Å; K373-E382 PolarHBondContact O-N 2.79Å; K373-L384 HydrophobicContact CB-CD1 3.73Å
374	E	88.7	Confident	89.6	Confident	137 Å²	137	80.8 Å²	80.8	64%	0.64	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-23.6	-176.2	-52.6	-57.2	155.1	0	0	112.7	G372 P381	G372-E374 PolarHBondContact O-N 3.47Å; E374-P381 WeakPolarHBondContact O-CA 3.36Å
375	A	89.5	Confident	89.8	Confident	27 Å²	27	80.6 Å²	80.6	22%	0.223	42%	0.418	C	S	.	.			trans	-154.4	121.8	-177.6	0	0	0	0	0	112.3	K371 G372 K373 R380 H395	K371-A375 WeakPolarHBondContact CB-O 3.42Å; K371-A375 HydrophobicContact CD-CB 4.18Å; K371-A375 WeakPolarHBondContact CD-O 3.38Å; G372-A375 PolarHBondContact O-N 3.44Å; K373-A375 VanDerWaalsContact C-N 3.34Å; A375-R380 CarbonylContact C-O 3.52Å; A375-R380 WeakPolarHBondContact CA-O 3.49Å; A375-H395 PolarHBondContact O-CE1 2.93Å
376	N	89.2	Confident	89.9	Confident	9 Å²	9	77.1 Å²	77.1	5%	0.048	40%	0.4	C	S	.	.			trans	-78.9	-173.5	167.3	67.3	13.4	0	0	0	111.8	R378 G379 R380 E382 H395 S397	N376-R378 PolarHBondContact O-N 2.92Å; N376-R378 VanDerWaalsContact O-N 3.11Å; N376-R378 VanDerWaalsContact OD1-C 3.3Å; N376-R378 WeakPolarHBondContact OD1-CA 3.49Å; N376-R378 WeakPolarHBondContact OD1-CB 3.11Å; N376-R378 PolarHBondContact OD1-N 3.48Å; N376-G379 PolarHBondContact O-N 3.45Å; N376-G379 PolarHBondContact OD1-N 2.97Å; N376-R380 VanDerWaalsContact CG-O 3.26Å; N376-R380 PolarHBondContact N-O 3.46Å; N376-R380 PolarHBondContact OD1-N 2.56Å; N376-R380 PolarHBondContact OD1-O 3.44Å; N376-E382 HydrophobicContact CB-CB 4.22Å; N376-E382 VanDerWaalsContact CB-OE2 3.3Å; N376-E382 WeakPolarHBondContact CB-OE2 3.34Å; N376-E382 PolarHBondContact ND2-OE2 3.46Å; N376-H395 HydrophobicContact CB-CB 4.42Å; N376-S397 PolarHBondContact ND2-OG 2.94Å
377	R	87.9	Confident	89.9	Confident	168 Å²	168	77.1 Å²	77.1	63%	0.634	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.6	176.6	-176.7	177.4	-94.5	168.2	-5.3	112.6	C369	C369-R377 HydrophobicContact CB-CB 4.24Å
378	R	87.3	Confident	90	Very high	212 Å²	212	75 Å²	75	80%	0.8	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	5.6	178.8	-58.2	-175.9	-178	-162.9	1.7	114	N376	N376-R378 PolarHBondContact O-N 2.92Å; N376-R378 VanDerWaalsContact O-N 3.11Å; N376-R378 VanDerWaalsContact OD1-C 3.3Å; N376-R378 WeakPolarHBondContact OD1-CA 3.49Å; N376-R378 WeakPolarHBondContact OD1-CB 3.11Å; N376-R378 PolarHBondContact OD1-N 3.48Å
379	G	87.2	Confident	90	Very high	49 Å²	49	77.6 Å²	77.6	51%	0.505	39%	0.386	S	S	.	.	S	Bend	trans	77.7	14.8	177.9	0	0	0	0	0	115.2	N376	N376-G379 PolarHBondContact O-N 3.45Å; N376-G379 PolarHBondContact OD1-N 2.97Å
380	R	88.3	Confident	90	Very high	175 Å²	175	78 Å²	78	66%	0.66	39%	0.389	S	S	*	.			trans	-97.9	144.8	176.5	-62.3	-176.2	-177.8	178.5	-1.5	111	A375 N376 E382	A375-R380 CarbonylContact C-O 3.52Å; A375-R380 WeakPolarHBondContact CA-O 3.49Å; N376-R380 VanDerWaalsContact CG-O 3.26Å; N376-R380 PolarHBondContact N-O 3.46Å; N376-R380 PolarHBondContact OD1-N 2.56Å; N376-R380 PolarHBondContact OD1-O 3.44Å; R380-E382 PolarHBondContact O-N 3.34Å
381	P	89.2	Confident	89.9	Confident	101 Å²	101	76.4 Å²	76.4	66%	0.656	39%	0.385	S	S	*	.			trans	-66.9	130.6	174.8	28.2	-33.8	0	0	0	110	E374	E374-P381 WeakPolarHBondContact O-CA 3.36Å
382	E	89.6	Confident	90	Very high	39 Å²	39	75.8 Å²	75.8	18%	0.182	39%	0.386	C	S	.	.			trans	-152.4	130.1	-175.9	-167.1	-179.7	173.9	0	0	109.8	K373 N376 R380 H395 P396 S397	K373-E382 WeakPolarHBondContact CA-O 3.38Å; K373-E382 PolarHBondContact O-N 2.79Å; N376-E382 HydrophobicContact CB-CB 4.22Å; N376-E382 VanDerWaalsContact CB-OE2 3.3Å; N376-E382 WeakPolarHBondContact CB-OE2 3.34Å; N376-E382 PolarHBondContact ND2-OE2 3.46Å; R380-E382 PolarHBondContact O-N 3.34Å; E382-H395 PolarHBondContact O-CD2 2.94Å; E382-P396 HydrophobicContact CG-CG 4.32Å; E382-P396 WeakPolarHBondContact OE1-CB 3.5Å; E382-P396 WeakPolarHBondContact OE1-CD 3.25Å; E382-P396 VanDerWaalsContact OE1-CG 3.29Å; E382-P396 WeakPolarHBondContact OE1-CG 3.39Å; E382-S397 WeakPolarHBondContact OE1-CB 3.12Å; E382-S397 PolarHBondContact OE1-N 3.03Å; E382-S397 PolarHBondContact OE1-OG 3.11Å; E382-S397 WeakPolarHBondContact OE2-CB 3.37Å; E382-S397 PolarHBondContact OE2-OG 2.74Å
383	A	89.2	Confident	90.2	Very high	72 Å²	72	75 Å²	75	60%	0.595	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-69.5	139.5	180	0	0	0	0	0	111	P396	A383-P396 WeakPolarHBondContact O-CD 2.97Å
384	L	92	Very high	90.4	Very high	21 Å²	21	68.9 Å²	68.9	11%	0.11	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-84.4	145.6	178.1	-72.8	80.3	0	0	0	110.7	A364 C366 K373 G394	A364-L384 HydrophobicContact CB-CD2 4.35Å; C366-L384 HydrophobicContact CB-CD2 4.06Å; K373-L384 HydrophobicContact CB-CD1 3.73Å; L384-G394 WeakPolarHBondContact CA-O 3.31Å
385	I	92.4	Very high	90.6	Very high	12 Å²	12	62.3 Å²	62.3	6%	0.062	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	140.4	167.4	-56.5	150.1	0	0	0	107.6	S393 G394 P396 L399 V406 I409 W414	I385-S393 CarbonylContact O-C 3.18Å; I385-S393 WeakPolarHBondContact O-CA 3.49Å; I385-G394 PolarHBondContact N-O 2.73Å; I385-G394 PolarHBondContact O-N 3.49Å; I385-P396 HydrophobicContact CD1-CB 4.16Å; I385-P396 HydrophobicContact CD1-CG 3.76Å; I385-P396 HydrophobicContact CG1-CG 4.29Å; I385-L399 HydrophobicContact CD1-CD1 4.46Å; I385-V406 HydrophobicContact CD1-CG2 4.15Å; I385-I409 HydrophobicContact CD1-CD1 3.57Å; I385-I409 HydrophobicContact CG1-CD1 4.05Å; I385-I409 HydrophobicContact CG2-CD1 3.94Å; I385-W414 HydrophobicContact CG2-CD2 3.91Å; I385-W414 HydrophobicContact CG2-CE3 3.56Å; I385-W414 HydrophobicContact CG2-CH2 4.39Å; I385-W414 HydrophobicContact CG2-CZ3 3.82Å
386	H	92.8	Very high	90.8	Very high	31 Å²	31	61.7 Å²	61.7	14%	0.144	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.2	-175.9	-55.1	-72	0	0	0	110.8	K359 I361 S393	K359-H386 HydrophobicContact CB-CB 4.35Å; K359-H386 PolarHBondContact O-CD2 3.43Å; I361-H386 HydrophobicContact CD1-CB 4.26Å; H386-S393 WeakPolarHBondContact ND1-CB 3.26Å; H386-S393 PolarHBondContact ND1-OG 2.74Å
387	C	93.5	Very high	91	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.328	C	S	.	.			trans	-63.9	140.9	172	-174.4	0	0	0	0	110.7	Q389 C390 N392 W414 C416	C387-Q389 VanDerWaalsContact C-N 3.34Å; C387-Q389 PolarHBondContact SG-N 3.38Å; C387-Q389 VanDerWaalsContact SG-N 3.4Å; C387-C390 WeakPolarHBondContact CB-SG 3.28Å; C387-C390 VanDerWaalsContact O-O 3.05Å; C387-C390 PolarHBondContact SG-SG 3.42Å; C387-N392 PolarHBondContact N-O 3.43Å; C387-W414 HydrophobicContact CB-CZ3 4.26Å; C387-C416 HydrophobicContact CB-CB 4.04Å; C387-C416 PolarHBondContact SG-N 3.23Å; C387-C416 VanDerWaalsContact SG-N 3.36Å; C387-C416 VanDerWaalsContact SG-SG 3.6Å
388	S	91.4	Very high	91.1	Very high	17 Å²	17	56.1 Å²	56.1	12%	0.119	30%	0.302	C	S	.	.	S	Bend	trans	-78.8	-16.2	176.2	63.3	0	0	0	0	114.2	W414	S388-W414 WeakPolarHBondContact CB-O 3.4Å; S388-W414 PolarHBondContact N-O 2.8Å; S388-W414 PolarHBondContact OG-O 3.33Å
389	Q	89.8	Confident	91.3	Very high	128 Å²	128	47.8 Å²	47.8	60%	0.598	27%	0.273	S	S	*	.	S	Bend	trans	-106.5	-33.4	-176.3	-63.4	-65.4	-2.3	0	0	113.5	C387 Q415 C419	C387-Q389 VanDerWaalsContact C-N 3.34Å; C387-Q389 PolarHBondContact SG-N 3.38Å; C387-Q389 VanDerWaalsContact SG-N 3.4Å; Q389-Q415 HydrophobicContact CG-CG 4.19Å; Q389-C419 HydrophobicContact CB-CB 4.04Å; Q389-C419 HydrophobicContact CG-CB 4.46Å
390	C	92	Very high	91.4	Very high	31 Å²	31	52.7 Å²	52.7	21%	0.209	29%	0.288	C	S	.	.	S	Bend	trans	-123.1	-175.4	178.1	70	0	0	0	0	111.3	K359 C387 N392	K359-C390 PolarHBondContact NZ-O 3.18Å; K359-C390 VanDerWaalsContact NZ-O 3.08Å; C387-C390 WeakPolarHBondContact CB-SG 3.28Å; C387-C390 VanDerWaalsContact O-O 3.05Å; C387-C390 PolarHBondContact SG-SG 3.42Å; C390-N392 VanDerWaalsContact SG-CB 3.54Å; C390-N392 PolarHBondContact SG-N 3.12Å
391	D	89.9	Confident	91.4	Very high	125 Å²	125	46 Å²	46	67%	0.668	26%	0.264	S	S	*	.	S	Bend	trans	-96.5	7.5	177.4	-65.7	-37	0	0	0	113.1	K359 S393	K359-D391 IonicContact NZ-OD1 2.77Å; K359-D391 PolarHBondContact NZ-OD1 3.27Å; D391-S393 PolarHBondContact O-N 2.88Å; D391-S393 PolarHBondContact O-OG 2.75Å
392	N	91.9	Very high	91.4	Very high	79 Å²	79	44.2 Å²	44.2	42%	0.422	25%	0.254	S	S	.	.			trans	-63.9	133.4	174.2	-71.9	-8.3	0	0	0	110.6	C387 C390 E418	C387-N392 PolarHBondContact N-O 3.43Å; C390-N392 VanDerWaalsContact SG-CB 3.54Å; C390-N392 PolarHBondContact SG-N 3.12Å; N392-E418 PolarHBondContact ND2-OE2 2.8Å
393	S	93.3	Very high	91.3	Very high	10 Å²	10	50.5 Å²	50.5	7%	0.07	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.1	179.4	-52.1	0	0	0	0	109.5	C366 G367 I385 H386 D391	C366-S393 CarbonylContact C-O 3.58Å; C366-S393 WeakPolarHBondContact CA-O 3.15Å; G367-S393 PolarHBondContact N-O 2.81Å; I385-S393 CarbonylContact O-C 3.18Å; I385-S393 WeakPolarHBondContact O-CA 3.49Å; H386-S393 WeakPolarHBondContact ND1-CB 3.26Å; H386-S393 PolarHBondContact ND1-OG 2.74Å; D391-S393 PolarHBondContact O-N 2.88Å; D391-S393 PolarHBondContact O-OG 2.75Å
394	G	93.4	Very high	91.3	Very high	3 Å²	3	54.7 Å²	54.7	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	146.3	-178.4	0	0	0	0	0	113	L384 I385	L384-G394 WeakPolarHBondContact CA-O 3.31Å; I385-G394 PolarHBondContact N-O 2.73Å; I385-G394 PolarHBondContact O-N 3.49Å
395	H	93.8	Very high	91.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.29	C	S	.	.			trans	-70.3	140.1	167.7	-58.7	110	0	0	0	109.5	C366 C369 K371 G372 A375 N376 E382 S397 C398 L399	C366-H395 VanDerWaalsContact CB-CE1 3.44Å; C366-H395 WeakPolarHBondContact CB-CE1 3.41Å; C366-H395 VanDerWaalsContact CB-ND1 3.28Å; C366-H395 WeakPolarHBondContact CB-ND1 3.39Å; C369-H395 PolarHBondContact SG-CE1 3.34Å; C369-H395 PolarHBondContact SG-ND1 3.45Å; K371-H395 PolarHBondContact O-CE1 3.44Å; G372-H395 PolarHBondContact O-CE1 2.62Å; G372-H395 PolarHBondContact O-NE2 3.32Å; A375-H395 PolarHBondContact O-CE1 2.93Å; N376-H395 HydrophobicContact CB-CB 4.42Å; E382-H395 PolarHBondContact O-CD2 2.94Å; H395-S397 PolarHBondContact O-N 2.95Å; H395-C398 HydrophobicContact CB-CB 4.03Å; H395-C398 PolarHBondContact O-N 3.13Å; H395-L399 PolarHBondContact O-N 3.48Å
396	P	92.7	Very high	91.1	Very high	14 Å²	14	54.8 Å²	54.8	9%	0.091	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-47.7	-45.9	170.5	-22.2	23.1	0	0	0	112.8	E382 A383 I385 C398 L399 D400 M401 V406	E382-P396 HydrophobicContact CG-CG 4.32Å; E382-P396 WeakPolarHBondContact OE1-CB 3.5Å; E382-P396 WeakPolarHBondContact OE1-CD 3.25Å; E382-P396 VanDerWaalsContact OE1-CG 3.29Å; E382-P396 WeakPolarHBondContact OE1-CG 3.39Å; A383-P396 WeakPolarHBondContact O-CD 2.97Å; I385-P396 HydrophobicContact CD1-CB 4.16Å; I385-P396 HydrophobicContact CD1-CG 3.76Å; I385-P396 HydrophobicContact CG1-CG 4.29Å; P396-C398 VanDerWaalsContact C-N 3.3Å; P396-C398 PolarHBondContact O-N 2.79Å; P396-L399 CarbonylContact O-C 3.56Å; P396-L399 PolarHBondContact O-N 2.79Å; P396-L399 VanDerWaalsContact O-N 3.13Å; P396-D400 PolarHBondContact O-N 3.37Å; P396-D400 VanDerWaalsContact O-N 3.07Å; P396-M401 HydrophobicContact CB-CB 4.21Å; P396-M401 PolarHBondContact O-N 2.92Å; P396-V406 HydrophobicContact CB-CG2 3.63Å; P396-V406 HydrophobicContact CG-CG2 3.78Å
397	S	93	Very high	90.9	Very high	47 Å²	47	57 Å²	57	33%	0.329	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-68	-22.5	177.7	68.2	0	0	0	0	115.1	N376 E382 H395	N376-S397 PolarHBondContact ND2-OG 2.94Å; E382-S397 WeakPolarHBondContact OE1-CB 3.12Å; E382-S397 PolarHBondContact OE1-N 3.03Å; E382-S397 PolarHBondContact OE1-OG 3.11Å; E382-S397 WeakPolarHBondContact OE2-CB 3.37Å; E382-S397 PolarHBondContact OE2-OG 2.74Å; H395-S397 PolarHBondContact O-N 2.95Å
398	C	91.2	Very high	90.8	Very high	13 Å²	13	59.6 Å²	59.6	9%	0.088	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-84.4	-22	174	-69	0	0	0	0	111.7	I368 H395 P396	I368-C398 HydrophobicContact CB-CB 4.1Å; I368-C398 HydrophobicContact CD1-CB 4.01Å; I368-C398 WeakPolarHBondContact CD1-O 3.41Å; I368-C398 HydrophobicContact CG2-CB 4.25Å; H395-C398 HydrophobicContact CB-CB 4.03Å; H395-C398 PolarHBondContact O-N 3.13Å; P396-C398 VanDerWaalsContact C-N 3.3Å; P396-C398 PolarHBondContact O-N 2.79Å
399	L	90.2	Very high	90.8	Very high	37 Å²	37	58.9 Å²	58.9	19%	0.194	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	6.9	177.8	-66.6	170.5	0	0	0	112.3	I368 I385 H395 P396 M401 W414	I368-L399 HydrophobicContact CD1-CD2 3.7Å; I368-L399 HydrophobicContact CD1-CG 4.31Å; I385-L399 HydrophobicContact CD1-CD1 4.46Å; H395-L399 PolarHBondContact O-N 3.48Å; P396-L399 CarbonylContact O-C 3.56Å; P396-L399 PolarHBondContact O-N 2.79Å; P396-L399 VanDerWaalsContact O-N 3.13Å; L399-M401 HydrophobicContact CB-CG 3.76Å; L399-M401 PolarHBondContact O-N 3.06Å; L399-W414 HydrophobicContact CD1-CH2 4.04Å; L399-W414 HydrophobicContact CD1-CZ2 4.34Å
400	D	89.6	Confident	90.7	Very high	152 Å²	152	57.4 Å²	57.4	81%	0.813	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	35.7	-175.3	-61.9	-42.9	0	0	0	114.2	P396	P396-D400 PolarHBondContact O-N 3.37Å; P396-D400 VanDerWaalsContact O-N 3.07Å
401	M	88.9	Confident	90.5	Very high	33 Å²	33	58.8 Å²	58.8	16%	0.163	32%	0.322	C	S	.	.			trans	-94.1	136.7	-179.7	-61.5	-76.6	171.7	0	0	111.6	P396 L399 L405 V406 D441	P396-M401 HydrophobicContact CB-CB 4.21Å; P396-M401 PolarHBondContact O-N 2.92Å; L399-M401 HydrophobicContact CB-CG 3.76Å; L399-M401 PolarHBondContact O-N 3.06Å; M401-L405 HydrophobicContact SD-CD2 3.23Å; M401-L405 WeakPolarHBondContact SD-CD2 3.38Å; M401-L405 HydrophobicContact SD-CG 3.92Å; M401-V406 HydrophobicContact CB-CG2 4.27Å; M401-D441 HydrophobicContact CE-CB 4.42Å; M401-D441 WeakPolarHBondContact CE-OD2 3.22Å
402	S	89.7	Confident	90.5	Very high	65 Å²	65	53.5 Å²	53.5	46%	0.455	29%	0.293	S	S	.	.			trans	-80.6	155.5	173.6	70.6	0	0	0	0	112.5	E404 L405 V406	S402-E404 PolarHBondContact O-N 2.97Å; S402-L405 WeakPolarHBondContact O-CB 3.22Å; S402-L405 PolarHBondContact O-N 3.32Å; S402-L405 VanDerWaalsContact O-N 3.08Å; S402-L405 WeakPolarHBondContact OG-CB 3.39Å; S402-L405 PolarHBondContact OG-N 3.38Å; S402-V406 WeakPolarHBondContact O-CG2 3.35Å; S402-V406 PolarHBondContact O-N 3.43Å
403	E	87.8	Confident	90.4	Very high	171 Å²	171	57 Å²	57	80%	0.799	30%	0.301	S	S	*	.	H	α-helix	trans	-59.2	-33.9	178.9	-67.7	-179.4	-172.9	0	0	113.2	V406 S407	E403-V406 PolarHBondContact O-N 2.81Å; E403-S407 PolarHBondContact O-N 2.92Å; E403-S407 VanDerWaalsContact O-N 3.09Å; E403-S407 PolarHBondContact O-OG 3.22Å
404	E	88.3	Confident	90.4	Very high	160 Å²	160	57.1 Å²	57.1	75%	0.748	30%	0.299	S	S	*	.	H	α-helix	trans	-63.8	-45.1	174.9	-63.7	-176.1	178.2	0	0	111.1	S402 S407 V408	S402-E404 PolarHBondContact O-N 2.97Å; E404-S407 WeakPolarHBondContact O-CB 3.36Å; E404-S407 PolarHBondContact O-N 2.74Å; E404-V408 PolarHBondContact O-N 2.99Å
405	L	90.3	Very high	90.4	Very high	16 Å²	16	58.7 Å²	58.7	8%	0.084	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-40.9	176.9	-179.1	54.3	0	0	0	111.3	M401 S402 S407 V408 I409 K439 D441	M401-L405 HydrophobicContact SD-CD2 3.23Å; M401-L405 WeakPolarHBondContact SD-CD2 3.38Å; M401-L405 HydrophobicContact SD-CG 3.92Å; S402-L405 WeakPolarHBondContact O-CB 3.22Å; S402-L405 PolarHBondContact O-N 3.32Å; S402-L405 VanDerWaalsContact O-N 3.08Å; S402-L405 WeakPolarHBondContact OG-CB 3.39Å; S402-L405 PolarHBondContact OG-N 3.38Å; L405-S407 VanDerWaalsContact C-N 3.26Å; L405-S407 PolarHBondContact O-N 3.17Å; L405-V408 PolarHBondContact O-N 3.46Å; L405-I409 HydrophobicContact CD1-CG2 3.99Å; L405-I409 HydrophobicContact CG-CG2 4.3Å; L405-I409 WeakPolarHBondContact O-CG2 3.36Å; L405-I409 PolarHBondContact O-N 3.04Å; L405-K439 VanDerWaalsContact CD1-O 3.27Å; L405-K439 WeakPolarHBondContact CD1-O 3.35Å; L405-D441 HydrophobicContact CD1-CB 4.16Å
406	V	90.3	Very high	90.4	Very high	18 Å²	18	59.1 Å²	59.1	11%	0.109	31%	0.309	C	S	.	.	H	α-helix	trans	-56.6	-41.6	175.5	177.2	0	0	0	0	111.6	I385 P396 M401 S402 E403 V408 I409 Q410	I385-V406 HydrophobicContact CD1-CG2 4.15Å; P396-V406 HydrophobicContact CB-CG2 3.63Å; P396-V406 HydrophobicContact CG-CG2 3.78Å; M401-V406 HydrophobicContact CB-CG2 4.27Å; S402-V406 WeakPolarHBondContact O-CG2 3.35Å; S402-V406 PolarHBondContact O-N 3.43Å; E403-V406 PolarHBondContact O-N 2.81Å; V406-V408 VanDerWaalsContact C-N 3.26Å; V406-V408 PolarHBondContact O-N 3.12Å; V406-I409 HydrophobicContact CG2-CD1 4.49Å; V406-I409 VanDerWaalsContact O-CG1 3.27Å; V406-I409 WeakPolarHBondContact O-CG1 3.48Å; V406-I409 PolarHBondContact O-N 3.07Å; V406-Q410 HydrophobicContact CG1-CG 4.44Å; V406-Q410 VanDerWaalsContact O-CG 3.28Å; V406-Q410 WeakPolarHBondContact O-CG 3.42Å; V406-Q410 PolarHBondContact O-N 3.35Å
407	S	88.6	Confident	90.3	Very high	79 Å²	79	64 Å²	64	55%	0.552	33%	0.332	S	S	*	.	H	α-helix	trans	-62.8	-35.6	178	-60	0	0	0	0	111.8	E403 E404 L405 T411	E403-S407 PolarHBondContact O-N 2.92Å; E403-S407 VanDerWaalsContact O-N 3.09Å; E403-S407 PolarHBondContact O-OG 3.22Å; E404-S407 WeakPolarHBondContact O-CB 3.36Å; E404-S407 PolarHBondContact O-N 2.74Å; L405-S407 VanDerWaalsContact C-N 3.26Å; L405-S407 PolarHBondContact O-N 3.17Å; S407-T411 WeakPolarHBondContact O-CG2 3.41Å
408	V	90.8	Very high	90.2	Very high	53 Å²	53	67.7 Å²	67.7	32%	0.321	34%	0.344	S	S	.	.	H	α-helix	trans	-74.9	-47.6	177.8	179.5	0	0	0	0	111.5	E404 L405 V406 Q410 T411 Y412 C440	E404-V408 PolarHBondContact O-N 2.99Å; L405-V408 PolarHBondContact O-N 3.46Å; V406-V408 VanDerWaalsContact C-N 3.26Å; V406-V408 PolarHBondContact O-N 3.12Å; V408-Q410 PolarHBondContact O-N 3.22Å; V408-T411 WeakPolarHBondContact O-CB 3.46Å; V408-T411 PolarHBondContact O-N 3.25Å; V408-T411 PolarHBondContact O-OG1 3.38Å; V408-Y412 HydrophobicContact CG1-CE1 4.33Å; V408-Y412 WeakPolarHBondContact O-CD1 3.28Å; V408-C440 HydrophobicContact CG1-CB 3.88Å
409	I	90.9	Very high	90.3	Very high	3 Å²	3	68.6 Å²	68.6	2%	0.015	35%	0.35	C	S	.	.	H	α-helix	trans	-64.2	-28.1	-177.3	67.5	-175.7	0	0	0	112.8	I385 L405 V406 T411 Y412 W414 D441	I385-I409 HydrophobicContact CD1-CD1 3.57Å; I385-I409 HydrophobicContact CG1-CD1 4.05Å; I385-I409 HydrophobicContact CG2-CD1 3.94Å; L405-I409 HydrophobicContact CD1-CG2 3.99Å; L405-I409 HydrophobicContact CG-CG2 4.3Å; L405-I409 WeakPolarHBondContact O-CG2 3.36Å; L405-I409 PolarHBondContact O-N 3.04Å; V406-I409 HydrophobicContact CG2-CD1 4.49Å; V406-I409 VanDerWaalsContact O-CG1 3.27Å; V406-I409 WeakPolarHBondContact O-CG1 3.48Å; V406-I409 PolarHBondContact O-N 3.07Å; I409-T411 PolarHBondContact O-N 3.1Å; I409-Y412 HydrophobicContact CB-CE1 4.4Å; I409-Y412 HydrophobicContact CG2-CE1 4.42Å; I409-Y412 PolarHBondContact O-N 3Å; I409-W414 HydrophobicContact CB-CB 4.24Å; I409-W414 HydrophobicContact CB-CG 4.11Å; I409-D441 HydrophobicContact CG2-CB 4.03Å
410	Q	87.9	Confident	90.5	Very high	97 Å²	97	67.4 Å²	67.4	45%	0.453	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.3	175.2	-73	179.3	9.5	0	0	113.4	P358 V406 V408 Y412	P358-Q410 HydrophobicContact CG-CB 4.32Å; V406-Q410 HydrophobicContact CG1-CG 4.44Å; V406-Q410 VanDerWaalsContact O-CG 3.28Å; V406-Q410 WeakPolarHBondContact O-CG 3.42Å; V406-Q410 PolarHBondContact O-N 3.35Å; V408-Q410 PolarHBondContact O-N 3.22Å; Q410-Y412 VanDerWaalsContact C-N 3.31Å; Q410-Y412 PolarHBondContact O-N 2.87Å
411	T	87.5	Confident	90.7	Very high	59 Å²	59	61.7 Å²	61.7	36%	0.362	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-8.5	-180	69.4	0	0	0	0	114.1	T353 S407 V408 I409	T353-T411 PolarHBondContact N-O 3.36Å; S407-T411 WeakPolarHBondContact O-CG2 3.41Å; V408-T411 WeakPolarHBondContact O-CB 3.46Å; V408-T411 PolarHBondContact O-N 3.25Å; V408-T411 PolarHBondContact O-OG1 3.38Å; I409-T411 PolarHBondContact O-N 3.1Å
412	Y	89.6	Confident	91	Very high	15 Å²	15	60.1 Å²	60.1	6%	0.059	31%	0.306	C	S	.	.	S	Bend	trans	-149.2	174.5	-176.5	73.1	-93.1	0	0	0	112.1	Y356 V408 I409 Q410 W414 C440 R442	Y356-Y412 WeakPolarHBondContact CE1-O 3.19Å; V408-Y412 HydrophobicContact CG1-CE1 4.33Å; V408-Y412 WeakPolarHBondContact O-CD1 3.28Å; I409-Y412 HydrophobicContact CB-CE1 4.4Å; I409-Y412 HydrophobicContact CG2-CE1 4.42Å; I409-Y412 PolarHBondContact O-N 3Å; Q410-Y412 VanDerWaalsContact C-N 3.31Å; Q410-Y412 PolarHBondContact O-N 2.87Å; Y412-W414 VanDerWaalsContact C-N 3.33Å; Y412-W414 HydrophobicContact CE2-CB 4.36Å; Y412-W414 PolarHBondContact O-N 2.98Å; Y412-C440 VanDerWaalsContact CZ-O 3.32Å; Y412-C440 PolarHBondContact OH-O 3.44Å; Y412-R442 HydrophobicContact CE2-CG 4.34Å; Y412-R442 VanDerWaalsContact CG-NH2 3.29Å
413	R	90.1	Very high	91.2	Very high	153 Å²	153	57.7 Å²	57.7	58%	0.577	29%	0.289	S	S	*	.			trans	-71.6	81.8	-179.9	-57.4	-175.8	87.9	105.2	-0.7	111.8	Y356	Y356-R413 HydrophobicContact CD2-CG 3.91Å; Y356-R413 HydrophobicContact CE2-CB 4.4Å; Y356-R413 HydrophobicContact CE2-CG 3.56Å
414	W	93.9	Very high	91.4	Very high	12 Å²	12	53 Å²	53	5%	0.045	27%	0.271	C	S	.	.			trans	-62.7	148.7	176.6	-179.4	80.1	0	0	0	112.6	I385 C387 S388 L399 I409 Y412 C416 D441	I385-W414 HydrophobicContact CG2-CD2 3.91Å; I385-W414 HydrophobicContact CG2-CE3 3.56Å; I385-W414 HydrophobicContact CG2-CH2 4.39Å; I385-W414 HydrophobicContact CG2-CZ3 3.82Å; C387-W414 HydrophobicContact CB-CZ3 4.26Å; S388-W414 WeakPolarHBondContact CB-O 3.4Å; S388-W414 PolarHBondContact N-O 2.8Å; S388-W414 PolarHBondContact OG-O 3.33Å; L399-W414 HydrophobicContact CD1-CH2 4.04Å; L399-W414 HydrophobicContact CD1-CZ2 4.34Å; I409-W414 HydrophobicContact CB-CB 4.24Å; I409-W414 HydrophobicContact CB-CG 4.11Å; Y412-W414 VanDerWaalsContact C-N 3.33Å; Y412-W414 HydrophobicContact CE2-CB 4.36Å; Y412-W414 PolarHBondContact O-N 2.98Å; W414-C416 HydrophobicContact CH2-CB 3.88Å; W414-C416 HydrophobicContact CZ3-CB 4.13Å; W414-D441 PolarHBondContact NE1-OD2 2.81Å
415	Q	94.3	Very high	91.7	Very high	36 Å²	36	47.6 Å²	47.6	17%	0.168	25%	0.251	C	S	.	.			trans	-125.6	136.4	179.7	-66.9	172.4	-4.5	0	0	108.5	Q389 C419 K420 T421	Q389-Q415 HydrophobicContact CG-CG 4.19Å; Q415-C419 HydrophobicContact CB-CB 4.39Å; Q415-C419 PolarHBondContact OE1-O 3.28Å; Q415-K420 HydrophobicContact CB-CD 4.32Å; Q415-K420 WeakPolarHBondContact O-CE 3.4Å; Q415-K420 PolarHBondContact O-NZ 2.91Å; Q415-T421 PolarHBondContact NE2-OG1 3.48Å; Q415-T421 PolarHBondContact OE1-OG1 2.89Å
416	C	92.8	Very high	91.7	Very high	8 Å²	8	53.6 Å²	53.6	5%	0.054	27%	0.272	C	S	.	.			trans	-67.5	172.8	172	66.8	0	0	0	0	111.4	C387 W414 E418 C419 K420	C387-C416 HydrophobicContact CB-CB 4.04Å; C387-C416 PolarHBondContact SG-N 3.23Å; C387-C416 VanDerWaalsContact SG-N 3.36Å; C387-C416 VanDerWaalsContact SG-SG 3.6Å; W414-C416 HydrophobicContact CH2-CB 3.88Å; W414-C416 HydrophobicContact CZ3-CB 4.13Å; C416-E418 VanDerWaalsContact C-N 3.3Å; C416-E418 PolarHBondContact O-N 2.9Å; C416-E418 PolarHBondContact SG-OE2 2.77Å; C416-C419 CarbonylContact O-C 3.49Å; C416-C419 PolarHBondContact O-N 3.46Å; C416-C419 VanDerWaalsContact O-N 3.14Å; C416-C419 VanDerWaalsContact SG-SG 3.66Å; C416-K420 PolarHBondContact O-N 3.32Å
417	M	90.9	Very high	91.7	Very high	118 Å²	118	57.4 Å²	57.4	58%	0.581	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-57.9	-41.8	-177.8	-62.1	-173.6	-61.3	0	0	111.9	C419 K420 F436	M417-C419 VanDerWaalsContact C-N 3.29Å; M417-C419 PolarHBondContact O-N 3.29Å; M417-K420 WeakPolarHBondContact O-CB 3.49Å; M417-K420 PolarHBondContact O-N 3.37Å; M417-F436 HydrophobicContact CG-CE2 4.41Å
418	E	90.8	Very high	91.8	Very high	123 Å²	123	56.3 Å²	56.3	58%	0.575	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-75.6	-17.1	-178.7	-51.2	78.3	-161	0	0	113.6	N392 C416	N392-E418 PolarHBondContact ND2-OE2 2.8Å; C416-E418 VanDerWaalsContact C-N 3.3Å; C416-E418 PolarHBondContact O-N 2.9Å; C416-E418 PolarHBondContact SG-OE2 2.77Å
419	C	93.2	Very high	91.8	Very high	33 Å²	33	59 Å²	59	22%	0.223	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-107.5	5.7	179.2	-68.7	0	0	0	0	112.1	Q389 Q415 C416 M417 T421	Q389-C419 HydrophobicContact CB-CB 4.04Å; Q389-C419 HydrophobicContact CG-CB 4.46Å; Q415-C419 HydrophobicContact CB-CB 4.39Å; Q415-C419 PolarHBondContact OE1-O 3.28Å; C416-C419 CarbonylContact O-C 3.49Å; C416-C419 PolarHBondContact O-N 3.46Å; C416-C419 VanDerWaalsContact O-N 3.14Å; C416-C419 VanDerWaalsContact SG-SG 3.66Å; M417-C419 VanDerWaalsContact C-N 3.29Å; M417-C419 PolarHBondContact O-N 3.29Å; C419-T421 PolarHBondContact O-N 3.4Å
420	K	94.1	Very high	91.6	Very high	11 Å²	11	64.1 Å²	64.1	5%	0.048	31%	0.312	C	S	.	.			trans	-68.4	133.1	-172.9	-159.1	79.1	72.7	175.2	0	109.2	Q415 C416 M417 M434 F436 D441	Q415-K420 HydrophobicContact CB-CD 4.32Å; Q415-K420 WeakPolarHBondContact O-CE 3.4Å; Q415-K420 PolarHBondContact O-NZ 2.91Å; C416-K420 PolarHBondContact O-N 3.32Å; M417-K420 WeakPolarHBondContact O-CB 3.49Å; M417-K420 PolarHBondContact O-N 3.37Å; K420-M434 HydrophobicContact CB-SD 4.38Å; K420-M434 HydrophobicContact CG-SD 4.16Å; K420-F436 HydrophobicContact CB-CE1 4.25Å; K420-F436 HydrophobicContact CB-CZ 4.48Å; K420-F436 HydrophobicContact CD-CE1 4.46Å; K420-F436 HydrophobicContact CG-CD1 4.11Å; K420-F436 HydrophobicContact CG-CE1 3.7Å; K420-F436 HydrophobicContact CG-CZ 4.3Å; K420-D441 VanDerWaalsContact NZ-CG 3.27Å; K420-D441 PolarHBondContact NZ-O 2.81Å; K420-D441 IonicContact NZ-OD1 3.91Å; K420-D441 IonicContact NZ-OD2 3.14Å; K420-D441 PolarHBondContact NZ-OD2 3.22Å
421	T	94.9	Very high	91.6	Very high	32 Å²	32	66.3 Å²	66.3	20%	0.196	32%	0.322	C	S	.	.			trans	-122.9	143.5	176.4	49	0	0	0	0	109.5	Q415 C419 T423 P428	Q415-T421 PolarHBondContact NE2-OG1 3.48Å; Q415-T421 PolarHBondContact OE1-OG1 2.89Å; C419-T421 PolarHBondContact O-N 3.4Å; T421-T423 PolarHBondContact O-N 3.18Å; T421-P428 HydrophobicContact CG2-CB 4.22Å
422	C	94.9	Very high	91.7	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-62.1	131.9	175.8	171.3	0	0	0	0	110.3	V424 C425 R426 Q427 M434 G443 H445 C448	C422-V424 PolarHBondContact O-N 3.35Å; C422-V424 PolarHBondContact SG-N 2.87Å; C422-C425 WeakPolarHBondContact CB-SG 3.14Å; C422-C425 VanDerWaalsContact SG-SG 3.66Å; C422-R426 WeakPolarHBondContact O-CA 3.2Å; C422-R426 PolarHBondContact O-N 3.44Å; C422-Q427 PolarHBondContact N-O 2.92Å; C422-M434 HydrophobicContact CB-CE 4.36Å; C422-G443 CarbonylContact C-O 3.57Å; C422-G443 WeakPolarHBondContact CA-O 3.5Å; C422-H445 VanDerWaalsContact CB-CE1 3.47Å; C422-H445 WeakPolarHBondContact CB-CE1 3.24Å; C422-H445 WeakPolarHBondContact CB-ND1 3.48Å; C422-H445 PolarHBondContact SG-N 3.4Å; C422-H445 PolarHBondContact SG-ND1 3.48Å; C422-H445 VanDerWaalsContact SG-ND1 3.44Å; C422-C448 VanDerWaalsContact SG-SG 3.69Å
423	T	93.6	Very high	91.7	Very high	15 Å²	15	72.4 Å²	72.4	9%	0.092	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-28.6	-176.7	-57.5	0	0	0	0	111.6	H348 T421 R426 G443 Y444	H348-T423 HydrophobicContact CB-CG2 4.3Å; H348-T423 PolarHBondContact CD2-O 2.88Å; H348-T423 PolarHBondContact NE2-O 3.45Å; H348-T423 VanDerWaalsContact NE2-O 3.17Å; T421-T423 PolarHBondContact O-N 3.18Å; T423-R426 PolarHBondContact O-NE 2.95Å; T423-G443 PolarHBondContact N-O 2.94Å; T423-G443 PolarHBondContact OG1-O 2.83Å; T423-Y444 HydrophobicContact CG2-CE1 4.17Å
424	V	92.4	Very high	91.8	Very high	71 Å²	71	66 Å²	66	43%	0.43	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-60.9	-178.2	-179	0	0	0	0	111.1	C422 Y444 C448	C422-V424 PolarHBondContact O-N 3.35Å; C422-V424 PolarHBondContact SG-N 2.87Å; V424-Y444 HydrophobicContact CG2-CD1 4.05Å; V424-Y444 HydrophobicContact CG2-CE1 4.36Å; V424-C448 HydrophobicContact CB-CB 3.81Å; V424-C448 HydrophobicContact CG1-CB 4.07Å; V424-C448 HydrophobicContact CG2-CB 4.04Å
425	C	93	Very high	91.7	Very high	47 Å²	47	66 Å²	66	32%	0.318	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-10.8	-174	71.3	0	0	0	0	114.1	C422 Q427 H445	C422-C425 WeakPolarHBondContact CB-SG 3.14Å; C422-C425 VanDerWaalsContact SG-SG 3.66Å; C425-Q427 PolarHBondContact O-N 3.46Å; C425-H445 PolarHBondContact SG-ND1 2.87Å; C425-H445 VanDerWaalsContact SG-ND1 3.42Å
426	R	92.1	Very high	91.7	Very high	143 Å²	143	67.8 Å²	67.8	54%	0.54	34%	0.336	S	S	.	.			trans	61.9	18.8	-178.2	-53.7	-65.6	179.2	162	-4.1	114.8	H348 C422 T423	H348-R426 PolarHBondContact CE1-NH2 3.5Å; H348-R426 PolarHBondContact ND1-NH2 3.05Å; H348-R426 PolarHBondContact NE2-NE 3.21Å; H348-R426 PolarHBondContact NE2-NH2 2.83Å; C422-R426 WeakPolarHBondContact O-CA 3.2Å; C422-R426 PolarHBondContact O-N 3.44Å; T423-R426 PolarHBondContact O-NE 2.95Å
427	Q	90.3	Very high	91.8	Very high	97 Å²	97	67.5 Å²	67.5	45%	0.453	33%	0.334	S	S	.	.			trans	-107.2	149.9	179.1	-59.3	-171.3	16.1	0	0	111.7	C422 C425 H429	C422-Q427 PolarHBondContact N-O 2.92Å; C425-Q427 PolarHBondContact O-N 3.46Å; Q427-H429 PolarHBondContact OE1-ND1 2.71Å; Q427-H429 VanDerWaalsContact OE1-ND1 3.09Å
428	P	90.4	Very high	91.8	Very high	56 Å²	56	65.3 Å²	65.3	36%	0.364	33%	0.325	S	S	.	.			trans	-90.3	-12.6	174.9	35.5	-34.6	0	0	0	114	T421 E431	T421-P428 HydrophobicContact CG2-CB 4.22Å; P428-E431 VanDerWaalsContact O-CG 3.28Å; P428-E431 WeakPolarHBondContact O-CG 3.23Å
429	H	89.1	Confident	91.8	Very high	111 Å²	111	63.2 Å²	63.2	51%	0.514	31%	0.314	S	S	.	.			trans	-59.3	166.9	-177.6	-51.3	106.2	0	0	0	112.8	Q427 H445	Q427-H429 PolarHBondContact OE1-ND1 2.71Å; Q427-H429 VanDerWaalsContact OE1-ND1 3.09Å; H429-H445 PolarHBondContact O-CE1 2.79Å; H429-H445 VanDerWaalsContact O-CE1 3.25Å; H429-H445 PolarHBondContact O-NE2 3.32Å
430	H	87.9	Confident	91.8	Very high	109 Å²	109	61.6 Å²	61.6	51%	0.505	30%	0.303	S	S	.	.			trans	54.3	53.7	-178.9	-54.6	-78.9	0	0	0	112.2	D432 E433 M434 H445 F447	H430-D432 PolarHBondContact O-N 3.01Å; H430-E433 PolarHBondContact O-N 3.2Å; H430-M434 PolarHBondContact O-N 2.81Å; H430-H445 PolarHBondContact O-CD2 3.42Å; H430-H445 VanDerWaalsContact O-CD2 3.31Å; H430-H445 PolarHBondContact O-NE2 2.86Å; H430-F447 HydrophobicContact CB-CE1 4.23Å
431	E	87.9	Confident	91.8	Very high	143 Å²	143	61.7 Å²	61.7	67%	0.668	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-65.2	-29.9	-177.1	-64.3	179.9	-177.1	0	0	112.3	P428 E433 M434	P428-E431 VanDerWaalsContact O-CG 3.28Å; P428-E431 WeakPolarHBondContact O-CG 3.23Å; E431-E433 VanDerWaalsContact C-N 3.31Å; E431-E433 PolarHBondContact O-N 3.38Å; E431-M434 PolarHBondContact O-N 3.46Å
432	D	88.8	Confident	91.7	Very high	123 Å²	123	61.8 Å²	61.8	66%	0.658	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-68.8	-26	177.3	56.3	-39.4	0	0	0	113.7	H430 I454	H430-D432 PolarHBondContact O-N 3.01Å; D432-I454 WeakPolarHBondContact O-CD1 3.11Å
433	E	90	Very high	91.7	Very high	79 Å²	79	61.9 Å²	61.9	37%	0.369	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-102.5	10.2	174.4	-64	179.3	-173.3	0	0	112.2	H430 E431 H445 T446 F447	H430-E433 PolarHBondContact O-N 3.2Å; E431-E433 VanDerWaalsContact C-N 3.31Å; E431-E433 PolarHBondContact O-N 3.38Å; E433-H445 WeakPolarHBondContact O-CA 3.47Å; E433-T446 PolarHBondContact O-N 3.46Å; E433-F447 WeakPolarHBondContact OE2-CD1 3.48Å
434	M	91.9	Very high	91.8	Very high	18 Å²	18	61.8 Å²	61.8	9%	0.089	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.3	179.4	-164.8	-176.7	-58.2	0	0	111.4	K420 C422 H430 E431 F436 Y444 H445	K420-M434 HydrophobicContact CB-SD 4.38Å; K420-M434 HydrophobicContact CG-SD 4.16Å; C422-M434 HydrophobicContact CB-CE 4.36Å; H430-M434 PolarHBondContact O-N 2.81Å; E431-M434 PolarHBondContact O-N 3.46Å; M434-F436 HydrophobicContact CG-CE1 4.19Å; M434-F436 HydrophobicContact SD-CE1 4.15Å; M434-Y444 WeakPolarHBondContact CA-O 3.41Å; M434-H445 VanDerWaalsContact CE-NE2 3.34Å; M434-H445 WeakPolarHBondContact CE-NE2 3.34Å
435	M	92.5	Very high	91.9	Very high	13 Å²	13	58.5 Å²	58.5	6%	0.064	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.6	-179.8	55.1	-170.5	-58.7	0	0	111.5	G443 Y444 T446 M451 P455 W459	M435-G443 CarbonylContact O-C 3.23Å; M435-G443 WeakPolarHBondContact O-CA 2.93Å; M435-Y444 VanDerWaalsContact CG-O 3.27Å; M435-Y444 WeakPolarHBondContact CG-O 3.28Å; M435-Y444 PolarHBondContact N-O 2.97Å; M435-Y444 PolarHBondContact O-N 3.4Å; M435-T446 HydrophobicContact SD-CG2 4.03Å; M435-M451 HydrophobicContact CE-SD 4.46Å; M435-M451 HydrophobicContact SD-SD 4.32Å; M435-P455 HydrophobicContact CE-CG 3.4Å; M435-P455 VanDerWaalsContact CE-CG 3.4Å; M435-W459 HydrophobicContact CE-CB 3.74Å; M435-W459 HydrophobicContact CE-CD2 3.23Å; M435-W459 HydrophobicContact CE-CE3 3.72Å; M435-W459 HydrophobicContact CE-CG 3.2Å; M435-W459 HydrophobicContact CE-CZ2 4.3Å; M435-W459 HydrophobicContact CE-CZ3 4.42Å; M435-W459 HydrophobicContact SD-CD2 4.48Å
436	F	94.2	Very high	91.9	Very high	74 Å²	74	56.6 Å²	56.6	33%	0.325	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140.1	-177.2	-49.8	-27.2	0	0	0	110.6	M417 K420 M434 D438 R442	M417-F436 HydrophobicContact CG-CE2 4.41Å; K420-F436 HydrophobicContact CB-CE1 4.25Å; K420-F436 HydrophobicContact CB-CZ 4.48Å; K420-F436 HydrophobicContact CD-CE1 4.46Å; K420-F436 HydrophobicContact CG-CD1 4.11Å; K420-F436 HydrophobicContact CG-CE1 3.7Å; K420-F436 HydrophobicContact CG-CZ 4.3Å; M434-F436 HydrophobicContact CG-CE1 4.19Å; M434-F436 HydrophobicContact SD-CE1 4.15Å; F436-D438 PolarHBondContact O-N 2.96Å; F436-R442 WeakPolarHBondContact CA-O 3.34Å
437	C	94.1	Very high	91.9	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.007	26%	0.262	C	S	.	.			trans	-74.1	125.5	176	176.1	0	0	0	0	111.5	K439 C440 D441 R442 Y444 W459 C461	C437-K439 PolarHBondContact O-N 2.78Å; C437-K439 PolarHBondContact SG-N 2.99Å; C437-C440 PolarHBondContact O-N 3.38Å; C437-D441 VanDerWaalsContact O-CA 3.25Å; C437-D441 WeakPolarHBondContact O-CA 3.37Å; C437-D441 PolarHBondContact O-N 3.07Å; C437-R442 PolarHBondContact N-O 3.36Å; C437-Y444 HydrophobicContact CB-CE2 4.46Å; C437-W459 HydrophobicContact CB-CE3 4.08Å; C437-W459 HydrophobicContact CB-CZ3 3.74Å; C437-C461 HydrophobicContact CB-CB 4.07Å; C437-C461 PolarHBondContact SG-N 2.9Å; C437-C461 VanDerWaalsContact SG-SG 3.68Å
438	D	91.4	Very high	91.9	Very high	72 Å²	72	51.5 Å²	51.5	39%	0.385	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.3	-178.6	-65.6	-48.3	0	0	0	114.6	F436 L458 W459	F436-D438 PolarHBondContact O-N 2.96Å; D438-L458 HydrophobicContact CB-CD2 4.27Å; D438-L458 WeakPolarHBondContact OD2-CA 3.38Å; D438-L458 WeakPolarHBondContact OD2-CD2 3.16Å; D438-W459 PolarHBondContact N-O 3.31Å; D438-W459 PolarHBondContact OD2-N 2.84Å
439	K	90.4	Very high	91.8	Very high	79 Å²	79	51.1 Å²	51.1	34%	0.343	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-23.9	179.7	-70.6	-169.6	-174.1	-79.8	0	114.5	L405 C437 V460 C464 F468	L405-K439 VanDerWaalsContact CD1-O 3.27Å; L405-K439 WeakPolarHBondContact CD1-O 3.35Å; C437-K439 PolarHBondContact O-N 2.78Å; C437-K439 PolarHBondContact SG-N 2.99Å; K439-V460 HydrophobicContact CB-CG1 4.47Å; K439-V460 HydrophobicContact CD-CG1 3.72Å; K439-V460 HydrophobicContact CD-CG2 4.08Å; K439-V460 HydrophobicContact CG-CG1 4.19Å; K439-V460 HydrophobicContact CG-CG2 4.07Å; K439-C464 HydrophobicContact CB-CB 4.04Å; K439-C464 HydrophobicContact CD-CB 4.19Å; K439-F468 HydrophobicContact CD-CD2 4.42Å; K439-F468 HydrophobicContact CD-CE2 3.34Å; K439-F468 HydrophobicContact CD-CZ 3.7Å; K439-F468 VanDerWaalsContact CE-CZ 3.4Å
440	C	92.8	Very high	91.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.4	-0.2	-176.8	75.4	0	0	0	0	114.6	H350 V408 Y412 C437 R442 C464	H350-C440 PolarHBondContact NE2-SG 2.83Å; H350-C440 VanDerWaalsContact NE2-SG 3.44Å; V408-C440 HydrophobicContact CG1-CB 3.88Å; Y412-C440 VanDerWaalsContact CZ-O 3.32Å; Y412-C440 PolarHBondContact OH-O 3.44Å; C437-C440 PolarHBondContact O-N 3.38Å; C440-R442 PolarHBondContact O-N 3.3Å; C440-R442 VanDerWaalsContact O-N 3.08Å; C440-R442 PolarHBondContact SG-NH1 3.38Å; C440-R442 VanDerWaalsContact SG-NH1 3.36Å; C440-C464 VanDerWaalsContact CB-SG 3.51Å
441	D	94.3	Very high	91.7	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.064	25%	0.246	C	C	.	.			trans	53.7	26.2	177.2	-164.5	43.7	0	0	0	115.2	M401 L405 I409 W414 K420 C437	M401-D441 HydrophobicContact CE-CB 4.42Å; M401-D441 WeakPolarHBondContact CE-OD2 3.22Å; L405-D441 HydrophobicContact CD1-CB 4.16Å; I409-D441 HydrophobicContact CG2-CB 4.03Å; W414-D441 PolarHBondContact NE1-OD2 2.81Å; K420-D441 VanDerWaalsContact NZ-CG 3.27Å; K420-D441 PolarHBondContact NZ-O 2.81Å; K420-D441 IonicContact NZ-OD1 3.91Å; K420-D441 IonicContact NZ-OD2 3.14Å; K420-D441 PolarHBondContact NZ-OD2 3.22Å; C437-D441 VanDerWaalsContact O-CA 3.25Å; C437-D441 WeakPolarHBondContact O-CA 3.37Å; C437-D441 PolarHBondContact O-N 3.07Å
442	R	94.1	Very high	91.3	Very high	35 Å²	35	47.8 Å²	47.8	13%	0.132	26%	0.256	C	S	.	.			trans	-84	140.5	171.3	-73.7	-173.3	-175.8	83.8	0.4	110.2	H350 Y412 F436 C437 C440 Y444	H350-R442 PolarHBondContact CE1-NH1 3.15Å; H350-R442 PolarHBondContact ND1-NH1 3.06Å; Y412-R442 HydrophobicContact CE2-CG 4.34Å; Y412-R442 VanDerWaalsContact CG-NH2 3.29Å; F436-R442 WeakPolarHBondContact CA-O 3.34Å; C437-R442 PolarHBondContact N-O 3.36Å; C440-R442 PolarHBondContact O-N 3.3Å; C440-R442 VanDerWaalsContact O-N 3.08Å; C440-R442 PolarHBondContact SG-NH1 3.38Å; C440-R442 VanDerWaalsContact SG-NH1 3.36Å; R442-Y444 HydrophobicContact CB-CD2 4.48Å; R442-Y444 HydrophobicContact CB-CE2 3.64Å; R442-Y444 VanDerWaalsContact O-CD2 3.27Å; R442-Y444 WeakPolarHBondContact O-CD2 3.31Å; R442-Y444 WeakPolarHBondContact O-CE2 3.49Å
443	G	94.7	Very high	91.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	144.6	177.9	0	0	0	0	0	112.9	C422 T423 M435	C422-G443 CarbonylContact C-O 3.57Å; C422-G443 WeakPolarHBondContact CA-O 3.5Å; T423-G443 PolarHBondContact N-O 2.94Å; T423-G443 PolarHBondContact OG1-O 2.83Å; M435-G443 CarbonylContact O-C 3.23Å; M435-G443 WeakPolarHBondContact O-CA 2.93Å
444	Y	95.6	Very high	91.1	Very high	13 Å²	13	49.7 Å²	49.7	5%	0.051	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	136.7	176.8	-64	-96	0	0	0	108.8	T423 V424 M434 M435 C437 R442 V449 W459 C461	T423-Y444 HydrophobicContact CG2-CE1 4.17Å; V424-Y444 HydrophobicContact CG2-CD1 4.05Å; V424-Y444 HydrophobicContact CG2-CE1 4.36Å; M434-Y444 WeakPolarHBondContact CA-O 3.41Å; M435-Y444 VanDerWaalsContact CG-O 3.27Å; M435-Y444 WeakPolarHBondContact CG-O 3.28Å; M435-Y444 PolarHBondContact N-O 2.97Å; M435-Y444 PolarHBondContact O-N 3.4Å; C437-Y444 HydrophobicContact CB-CE2 4.46Å; R442-Y444 HydrophobicContact CB-CD2 4.48Å; R442-Y444 HydrophobicContact CB-CE2 3.64Å; R442-Y444 VanDerWaalsContact O-CD2 3.27Å; R442-Y444 WeakPolarHBondContact O-CD2 3.31Å; R442-Y444 WeakPolarHBondContact O-CE2 3.49Å; Y444-V449 HydrophobicContact CD1-CG1 3.64Å; Y444-V449 HydrophobicContact CG-CG1 4.11Å; Y444-W459 HydrophobicContact CD1-CH2 4.35Å; Y444-W459 AromaticContact CD2-CH2 3.42Å; Y444-W459 HydrophobicContact CD2-CH2 3.42Å; Y444-W459 VanDerWaalsContact CD2-CH2 3.42Å; Y444-W459 AromaticContact CD2-CZ3 3.59Å; Y444-W459 HydrophobicContact CD2-CZ3 3.59Å; Y444-W459 HydrophobicContact CE2-CH2 4.03Å; Y444-W459 HydrophobicContact CE2-CZ3 4.17Å; Y444-W459 AromaticContact CG-CH2 3.62Å; Y444-W459 HydrophobicContact CG-CH2 3.62Å; Y444-W459 HydrophobicContact CG-CZ3 4.2Å; Y444-C461 HydrophobicContact CD2-CB 4.24Å; Y444-C461 HydrophobicContact CE1-CB 4.35Å; Y444-C461 HydrophobicContact CE2-CB 3.56Å
445	H	95.1	Very high	90.8	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	144.5	166.2	-63.8	116.8	0	0	0	110.4	C422 C425 H429 H430 E433 M434 F447 C448 V449	C422-H445 VanDerWaalsContact CB-CE1 3.47Å; C422-H445 WeakPolarHBondContact CB-CE1 3.24Å; C422-H445 WeakPolarHBondContact CB-ND1 3.48Å; C422-H445 PolarHBondContact SG-N 3.4Å; C422-H445 PolarHBondContact SG-ND1 3.48Å; C422-H445 VanDerWaalsContact SG-ND1 3.44Å; C425-H445 PolarHBondContact SG-ND1 2.87Å; C425-H445 VanDerWaalsContact SG-ND1 3.42Å; H429-H445 PolarHBondContact O-CE1 2.79Å; H429-H445 VanDerWaalsContact O-CE1 3.25Å; H429-H445 PolarHBondContact O-NE2 3.32Å; H430-H445 PolarHBondContact O-CD2 3.42Å; H430-H445 VanDerWaalsContact O-CD2 3.31Å; H430-H445 PolarHBondContact O-NE2 2.86Å; E433-H445 WeakPolarHBondContact O-CA 3.47Å; M434-H445 VanDerWaalsContact CE-NE2 3.34Å; M434-H445 WeakPolarHBondContact CE-NE2 3.34Å; H445-F447 VanDerWaalsContact C-N 3.3Å; H445-F447 HydrophobicContact CB-CD1 3.76Å; H445-F447 HydrophobicContact CB-CD2 4.18Å; H445-F447 HydrophobicContact CB-CE1 3.44Å; H445-F447 VanDerWaalsContact CB-CE1 3.44Å; H445-F447 HydrophobicContact CB-CE2 3.89Å; H445-F447 HydrophobicContact CB-CG 4.12Å; H445-F447 HydrophobicContact CB-CZ 3.5Å; H445-F447 AromaticContact CD2-CE1 3.9Å; H445-F447 AromaticContact CD2-CZ 3.97Å; H445-F447 AromaticContact CG-CE1 3.61Å; H445-F447 AromaticContact CG-CZ 3.41Å; H445-F447 VanDerWaalsContact CG-CZ 3.41Å; H445-F447 AromaticContact ND1-CZ 3.57Å; H445-F447 PolarHBondContact O-N 3.05Å; H445-C448 HydrophobicContact CB-CB 3.88Å; H445-C448 WeakPolarHBondContact O-CB 3.49Å; H445-C448 PolarHBondContact O-N 3.36Å; H445-V449 WeakPolarHBondContact O-CG2 3.44Å; H445-V449 PolarHBondContact O-N 2.82Å
446	T	92.3	Very high	90.3	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.043	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-52.1	172.6	51.5	0	0	0	0	111.1	E433 M435 C448 V449 G450 M451 I454	E433-T446 PolarHBondContact O-N 3.46Å; M435-T446 HydrophobicContact SD-CG2 4.03Å; T446-C448 VanDerWaalsContact C-N 3.31Å; T446-C448 PolarHBondContact O-N 2.99Å; T446-V449 CarbonylContact O-C 3.53Å; T446-V449 WeakPolarHBondContact O-CG2 3.34Å; T446-V449 PolarHBondContact O-N 3.17Å; T446-V449 VanDerWaalsContact O-N 3.15Å; T446-G450 PolarHBondContact O-N 2.86Å; T446-G450 VanDerWaalsContact O-N 3.08Å; T446-M451 CarbonylContact C-O 3.56Å; T446-M451 WeakPolarHBondContact CB-O 3.41Å; T446-M451 PolarHBondContact O-N 3.27Å; T446-I454 HydrophobicContact CG2-CG1 3.66Å
447	F	92.1	Very high	89.8	Confident	102 Å²	102	57 Å²	57	45%	0.447	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.4	178.6	61.4	-97.7	0	0	0	114	H430 E433 H445 V449 G450	H430-F447 HydrophobicContact CB-CE1 4.23Å; E433-F447 WeakPolarHBondContact OE2-CD1 3.48Å; H445-F447 VanDerWaalsContact C-N 3.3Å; H445-F447 HydrophobicContact CB-CD1 3.76Å; H445-F447 HydrophobicContact CB-CD2 4.18Å; H445-F447 HydrophobicContact CB-CE1 3.44Å; H445-F447 VanDerWaalsContact CB-CE1 3.44Å; H445-F447 HydrophobicContact CB-CE2 3.89Å; H445-F447 HydrophobicContact CB-CG 4.12Å; H445-F447 HydrophobicContact CB-CZ 3.5Å; H445-F447 AromaticContact CD2-CE1 3.9Å; H445-F447 AromaticContact CD2-CZ 3.97Å; H445-F447 AromaticContact CG-CE1 3.61Å; H445-F447 AromaticContact CG-CZ 3.41Å; H445-F447 VanDerWaalsContact CG-CZ 3.41Å; H445-F447 AromaticContact ND1-CZ 3.57Å; H445-F447 PolarHBondContact O-N 3.05Å; F447-V449 VanDerWaalsContact C-N 3.28Å; F447-V449 PolarHBondContact O-N 2.9Å; F447-G450 PolarHBondContact O-N 3.43Å
448	C	89.9	Confident	89.4	Confident	32 Å²	32	64.3 Å²	64.3	22%	0.216	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-22	177.2	-79	0	0	0	0	112.9	C422 V424 H445 T446	C422-C448 VanDerWaalsContact SG-SG 3.69Å; V424-C448 HydrophobicContact CB-CB 3.81Å; V424-C448 HydrophobicContact CG1-CB 4.07Å; V424-C448 HydrophobicContact CG2-CB 4.04Å; H445-C448 HydrophobicContact CB-CB 3.88Å; H445-C448 WeakPolarHBondContact O-CB 3.49Å; H445-C448 PolarHBondContact O-N 3.36Å; T446-C448 VanDerWaalsContact C-N 3.31Å; T446-C448 PolarHBondContact O-N 2.99Å
449	V	89.5	Confident	89.5	Confident	47 Å²	47	62.4 Å²	62.4	29%	0.285	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	7.9	176.4	-62.5	0	0	0	0	112.7	Y444 H445 T446 F447 M451 W459	Y444-V449 HydrophobicContact CD1-CG1 3.64Å; Y444-V449 HydrophobicContact CG-CG1 4.11Å; H445-V449 WeakPolarHBondContact O-CG2 3.44Å; H445-V449 PolarHBondContact O-N 2.82Å; T446-V449 CarbonylContact O-C 3.53Å; T446-V449 WeakPolarHBondContact O-CG2 3.34Å; T446-V449 PolarHBondContact O-N 3.17Å; T446-V449 VanDerWaalsContact O-N 3.15Å; F447-V449 VanDerWaalsContact C-N 3.28Å; F447-V449 PolarHBondContact O-N 2.9Å; V449-M451 HydrophobicContact CG2-CB 4.4Å; V449-M451 HydrophobicContact CG2-CG 3.92Å; V449-M451 HydrophobicContact CG2-SD 3.99Å; V449-W459 HydrophobicContact CG1-CZ2 4.47Å; V449-W459 HydrophobicContact CG2-CZ2 4.3Å
450	G	87.4	Confident	89.5	Confident	68 Å²	68	60.9 Å²	60.9	70%	0.701	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	33.6	176.6	0	0	0	0	0	114	T446 F447	T446-G450 PolarHBondContact O-N 2.86Å; T446-G450 VanDerWaalsContact O-N 3.08Å; F447-G450 PolarHBondContact O-N 3.43Å
451	M	86.1	Confident	89.4	Confident	61 Å²	61	60.9 Å²	60.9	30%	0.3	35%	0.352	S	S	.	.			trans	-108.7	140.5	173.9	-60.5	-177.8	88.1	0	0	109.4	M435 T446 V449 P455 W459	M435-M451 HydrophobicContact CE-SD 4.46Å; M435-M451 HydrophobicContact SD-SD 4.32Å; T446-M451 CarbonylContact C-O 3.56Å; T446-M451 WeakPolarHBondContact CB-O 3.41Å; T446-M451 PolarHBondContact O-N 3.27Å; V449-M451 HydrophobicContact CG2-CB 4.4Å; V449-M451 HydrophobicContact CG2-CG 3.92Å; V449-M451 HydrophobicContact CG2-SD 3.99Å; M451-P455 HydrophobicContact CE-CB 4.19Å; M451-P455 HydrophobicContact CE-CG 3.97Å; M451-W459 PolarHBondContact SD-NE1 3.09Å
452	D	81.2	Confident	89.1	Confident	164 Å²	164	66.4 Å²	66.4	88%	0.877	38%	0.377	S	S	*	.	S	Bend	trans	-82.8	-30.4	-179.2	-59.7	-44.6	0	0	0	112
453	E	85.9	Confident	88.8	Confident	157 Å²	157	66.1 Å²	66.1	73%	0.734	38%	0.379	S	S	*	.	S	Bend	trans	-141.4	160	-178.5	-67	-177.3	179.3	0	0	111.3	P455	E453-P455 WeakPolarHBondContact O-CD 3.25Å
454	I	87.4	Confident	88.4	Confident	85 Å²	85	66.6 Å²	66.6	44%	0.436	38%	0.382	S	S	.	.			trans	-68.3	121.5	174	-61.7	176.3	0	0	0	108.5	D432 T446	D432-I454 WeakPolarHBondContact O-CD1 3.11Å; T446-I454 HydrophobicContact CG2-CG1 3.66Å
455	P	85.4	Confident	87.9	Confident	42 Å²	42	70.9 Å²	70.9	27%	0.273	41%	0.406	S	S	.	.			trans	-63.5	143.2	-178.2	25.4	-34	0	0	0	112.1	M435 M451 E453 G457 W459	M435-P455 HydrophobicContact CE-CG 3.4Å; M435-P455 VanDerWaalsContact CE-CG 3.4Å; M451-P455 HydrophobicContact CE-CB 4.19Å; M451-P455 HydrophobicContact CE-CG 3.97Å; E453-P455 WeakPolarHBondContact O-CD 3.25Å; P455-G457 PolarHBondContact O-N 2.89Å; P455-W459 HydrophobicContact CG-CB 3.94Å; P455-W459 HydrophobicContact CG-CG 4.03Å
456	T	81.6	Confident	86.9	Confident	155 Å²	155	76.7 Å²	76.7	95%	0.951	43%	0.431	S	S	*	.	S	Bend	trans	-80.5	105.9	174.2	46.5	0	0	0	0	110
457	G	84.8	Confident	85.4	Confident	62 Å²	62	82 Å²	82	64%	0.639	46%	0.459	S	S	*	.	S	Bend	trans	116.8	-152.7	176.6	0	0	0	0	0	113.4	P455	P455-G457 PolarHBondContact O-N 2.89Å
458	L	86.4	Confident	83.5	Confident	154 Å²	154	83.4 Å²	83.4	81%	0.806	47%	0.465	S	S	*	.			trans	-72.8	132.4	-175.8	-65.3	173	0	0	0	111.2	D438	D438-L458 HydrophobicContact CB-CD2 4.27Å; D438-L458 WeakPolarHBondContact OD2-CA 3.38Å; D438-L458 WeakPolarHBondContact OD2-CD2 3.16Å
459	W	91.8	Very high	81.4	Confident	33 Å²	33	87 Å²	87	13%	0.125	49%	0.486	C	S	.	.			trans	-126.3	132.4	175	-177.4	86	0	0	0	112.6	M435 C437 D438 Y444 V449 M451 P455 C461	M435-W459 HydrophobicContact CE-CB 3.74Å; M435-W459 HydrophobicContact CE-CD2 3.23Å; M435-W459 HydrophobicContact CE-CE3 3.72Å; M435-W459 HydrophobicContact CE-CG 3.2Å; M435-W459 HydrophobicContact CE-CZ2 4.3Å; M435-W459 HydrophobicContact CE-CZ3 4.42Å; M435-W459 HydrophobicContact SD-CD2 4.48Å; C437-W459 HydrophobicContact CB-CE3 4.08Å; C437-W459 HydrophobicContact CB-CZ3 3.74Å; D438-W459 PolarHBondContact N-O 3.31Å; D438-W459 PolarHBondContact OD2-N 2.84Å; Y444-W459 HydrophobicContact CD1-CH2 4.35Å; Y444-W459 AromaticContact CD2-CH2 3.42Å; Y444-W459 HydrophobicContact CD2-CH2 3.42Å; Y444-W459 VanDerWaalsContact CD2-CH2 3.42Å; Y444-W459 AromaticContact CD2-CZ3 3.59Å; Y444-W459 HydrophobicContact CD2-CZ3 3.59Å; Y444-W459 HydrophobicContact CE2-CH2 4.03Å; Y444-W459 HydrophobicContact CE2-CZ3 4.17Å; Y444-W459 AromaticContact CG-CH2 3.62Å; Y444-W459 HydrophobicContact CG-CH2 3.62Å; Y444-W459 HydrophobicContact CG-CZ3 4.2Å; V449-W459 HydrophobicContact CG1-CZ2 4.47Å; V449-W459 HydrophobicContact CG2-CZ2 4.3Å; M451-W459 PolarHBondContact SD-NE1 3.09Å; P455-W459 HydrophobicContact CG-CB 3.94Å; P455-W459 HydrophobicContact CG-CG 4.03Å; W459-C461 HydrophobicContact CH2-CB 3.49Å; W459-C461 VanDerWaalsContact CH2-CB 3.49Å; W459-C461 HydrophobicContact CZ2-CB 4.15Å; W459-C461 HydrophobicContact CZ3-CB 3.85Å
460	V	91.6	Very high	78.8	Confident	46 Å²	46	89.8 Å²	89.8	28%	0.279	50%	0.504	S	S	.	.			trans	-122.8	124.1	-178.8	-176.7	0	0	0	0	108.4	K439 C464 D465	K439-V460 HydrophobicContact CB-CG1 4.47Å; K439-V460 HydrophobicContact CD-CG1 3.72Å; K439-V460 HydrophobicContact CD-CG2 4.08Å; K439-V460 HydrophobicContact CG-CG1 4.19Å; K439-V460 HydrophobicContact CG-CG2 4.07Å; V460-C464 HydrophobicContact CG1-CB 3.33Å; V460-D465 HydrophobicContact CG1-CB 4.43Å
461	C	91.5	Very high	76.6	Confident	1 Å²	1	92.5 Å²	92.5	1%	0.007	51%	0.509	C	S	.	.			trans	-65.1	154.1	177.2	71	0	0	0	0	111.2	H350 C437 Y444 W459 V463 C464 D465	H350-C461 PolarHBondContact NE2-SG 2.87Å; C437-C461 HydrophobicContact CB-CB 4.07Å; C437-C461 PolarHBondContact SG-N 2.9Å; C437-C461 VanDerWaalsContact SG-SG 3.68Å; Y444-C461 HydrophobicContact CD2-CB 4.24Å; Y444-C461 HydrophobicContact CE1-CB 4.35Å; Y444-C461 HydrophobicContact CE2-CB 3.56Å; W459-C461 HydrophobicContact CH2-CB 3.49Å; W459-C461 VanDerWaalsContact CH2-CB 3.49Å; W459-C461 HydrophobicContact CZ2-CB 4.15Å; W459-C461 HydrophobicContact CZ3-CB 3.85Å; C461-V463 PolarHBondContact O-N 3.41Å; C461-C464 PolarHBondContact O-N 3.34Å; C461-D465 PolarHBondContact O-N 2.77Å
462	E	87.6	Confident	74.2	Confident	128 Å²	128	98.6 Å²	98.6	60%	0.598	53%	0.534	S	S	*	.	H	α-helix	trans	-52.4	-28.7	-176.7	-69.1	-168.4	-167.6	0	0	114.7	K466	E462-K466 WeakPolarHBondContact O-CD 3.48Å; E462-K466 VanDerWaalsContact O-CG 3.26Å; E462-K466 WeakPolarHBondContact O-CG 3.41Å; E462-K466 PolarHBondContact O-N 3.39Å; E462-K466 IonicContact OE2-NZ 2.93Å; E462-K466 PolarHBondContact OE2-NZ 3.24Å
463	V	86.5	Confident	72.1	Confident	29 Å²	29	100.4 Å²	100.4	18%	0.176	53%	0.534	C	S	.	.	H	α-helix	trans	-79.1	-39.1	-175.2	-169	0	0	0	0	110.3	H348 H350 C461 D465	H348-V463 WeakPolarHBondContact O-CG2 3.42Å; H350-V463 HydrophobicContact CB-CB 4.46Å; H350-V463 HydrophobicContact CB-CG1 3.44Å; H350-V463 VanDerWaalsContact CB-CG1 3.44Å; H350-V463 WeakPolarHBondContact CD2-CB 3.3Å; H350-V463 WeakPolarHBondContact CD2-CG1 3.18Å; H350-V463 VanDerWaalsContact N-CG1 3.26Å; H350-V463 WeakPolarHBondContact NE2-CB 3.37Å; C461-V463 PolarHBondContact O-N 3.41Å; V463-D465 VanDerWaalsContact C-N 3.34Å
464	C	87.3	Confident	69.7	Low	10 Å²	10	102.5 Å²	102.5	7%	0.068	54%	0.54	C	S	.	.	H	α-helix	trans	-68.8	-32.1	169.6	-77.1	0	0	0	0	112.4	H350 K439 C440 V460 C461 D467 F468	H350-C464 PolarHBondContact CD2-N 3.2Å; H350-C464 VanDerWaalsContact CD2-SG 3.52Å; H350-C464 PolarHBondContact NE2-N 3.26Å; H350-C464 PolarHBondContact NE2-SG 3.09Å; K439-C464 HydrophobicContact CB-CB 4.04Å; K439-C464 HydrophobicContact CD-CB 4.19Å; C440-C464 VanDerWaalsContact CB-SG 3.51Å; V460-C464 HydrophobicContact CG1-CB 3.33Å; C461-C464 PolarHBondContact O-N 3.34Å; C464-D467 PolarHBondContact O-N 3.21Å; C464-F468 WeakPolarHBondContact O-CD2 3.27Å; C464-F468 WeakPolarHBondContact O-CE2 3.46Å
465	D	85.2	Confident	67	Low	103 Å²	103	101.9 Å²	101.9	55%	0.551	56%	0.555	S	S	*	*	H	α-helix	trans	-66.5	-41.6	179.6	-170.5	45.9	0	0	0	111.9	V460 C461 V463 D467 F468	V460-D465 HydrophobicContact CG1-CB 4.43Å; C461-D465 PolarHBondContact O-N 2.77Å; V463-D465 VanDerWaalsContact C-N 3.34Å; D465-D467 VanDerWaalsContact C-N 3.27Å; D465-D467 PolarHBondContact O-N 3.13Å; D465-F468 PolarHBondContact O-N 3.45Å
466	K	72.6	Confident	64.6	Low	125 Å²	125	106.1 Å²	106.1	54%	0.543	58%	0.58	S	S	.	*	H	α-helix	trans	-65	-27.3	178.8	-72.1	164.5	-168.8	159.6	0	113.5	E462 F468 T469	E462-K466 WeakPolarHBondContact O-CD 3.48Å; E462-K466 VanDerWaalsContact O-CG 3.26Å; E462-K466 WeakPolarHBondContact O-CG 3.41Å; E462-K466 PolarHBondContact O-N 3.39Å; E462-K466 IonicContact OE2-NZ 2.93Å; E462-K466 PolarHBondContact OE2-NZ 3.24Å; K466-F468 VanDerWaalsContact C-N 3.25Å; K466-F468 PolarHBondContact O-N 3.3Å; K466-T469 PolarHBondContact O-N 2.99Å; K466-T469 PolarHBondContact O-OG1 3.11Å
467	D	61.2	Low	62.3	Low	117 Å²	117	108.3 Å²	108.3	63%	0.626	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-13.2	-179.9	-71.1	-30.1	0	0	0	113.5	C464 D465	C464-D467 PolarHBondContact O-N 3.21Å; D465-D467 VanDerWaalsContact C-N 3.27Å; D465-D467 PolarHBondContact O-N 3.13Å
468	F	51.9	Low	59.8	Low	132 Å²	132	111.6 Å²	111.6	58%	0.579	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-11.5	176.1	-75.3	-87.2	0	0	0	114.2	K439 C464 D465 K466 T470	K439-F468 HydrophobicContact CD-CD2 4.42Å; K439-F468 HydrophobicContact CD-CE2 3.34Å; K439-F468 HydrophobicContact CD-CZ 3.7Å; K439-F468 VanDerWaalsContact CE-CZ 3.4Å; C464-F468 WeakPolarHBondContact O-CD2 3.27Å; C464-F468 WeakPolarHBondContact O-CE2 3.46Å; D465-F468 PolarHBondContact O-N 3.45Å; K466-F468 VanDerWaalsContact C-N 3.25Å; K466-F468 PolarHBondContact O-N 3.3Å; F468-T470 PolarHBondContact O-N 3.35Å
469	T	46.5	Very low	57.3	Low	107 Å²	107	113.2 Å²	113.2	66%	0.656	59%	0.588	S	S	*	*	S	Bend	trans	-98.7	72.3	178.2	62.7	0	0	0	0	111.5	K466	K466-T469 PolarHBondContact O-N 2.99Å; K466-T469 PolarHBondContact O-OG1 3.11Å
470	T	35.6	Very low	54.4	Low	107 Å²	107	121.8 Å²	121.8	66%	0.656	63%	0.626	S	S	*	*			trans	155	127.1	139.7	46.2	0	0	0	0	112.9	F468	F468-T470 PolarHBondContact O-N 3.35Å
471	P	39.8	Very low	51.7	Low	124 Å²	124	129.3 Å²	129.3	81%	0.805	66%	0.655	S	S	*	*			trans	-95.3	107.4	132.7	11.5	5.5	0	0	0	107.3	K473	P471-K473 PolarHBondContact O-N 3.31Å
472	K	37.3	Very low	49	Very low	190 Å²	190	134.6 Å²	134.6	83%	0.826	69%	0.692	S	S	*	*			trans	-58	98.2	167.8	-76.4	-177.5	176.7	176.2	0	109.1	K474	K472-K474 PolarHBondContact O-N 3.13Å
473	K	37	Very low	46.5	Very low	202 Å²	202	138.7 Å²	138.7	88%	0.878	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-59	118.9	160.2	-77.7	-176.4	177.4	177	0	107.3	P471 G475	P471-K473 PolarHBondContact O-N 3.31Å; K473-G475 PolarHBondContact O-N 3.01Å
474	K	33.7	Very low	44	Very low	200 Å²	200	143.1 Å²	143.1	87%	0.87	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-50.3	120.8	172.5	-69.5	177.2	176.7	175.8	0	108.6	K472 V476	K472-K474 PolarHBondContact O-N 3.13Å; K474-V476 PolarHBondContact O-N 3.43Å
475	G	31.5	Very low	41.6	Very low	73 Å²	73	146.9 Å²	146.9	75%	0.753	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-59.8	122.5	178	0	0	0	0	0	111.2	K473 K477	K473-G475 PolarHBondContact O-N 3.01Å; G475-K477 PolarHBondContact O-N 2.88Å
476	V	35.3	Very low	39.4	Very low	131 Å²	131	151.2 Å²	151.2	79%	0.794	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-68.1	120.6	163.1	173.3	0	0	0	0	107.3	K474 T478	K474-V476 PolarHBondContact O-N 3.43Å; V476-T478 PolarHBondContact O-N 2.98Å
477	K	33.1	Very low	37.5	Very low	200 Å²	200	158.8 Å²	158.8	87%	0.87	82%	0.822	S	S	*	*			trans	-73.3	105.8	171.4	-75.7	-178.2	176.4	178.6	0	109	G475	G475-K477 PolarHBondContact O-N 2.88Å
478	T	31.6	Very low	36.3	Very low	132 Å²	132	160.9 Å²	160.9	81%	0.81	83%	0.832	S	S	*	*			trans	-85.4	115	166.4	-33.6	0	0	0	0	108.8	V476 K480	V476-T478 PolarHBondContact O-N 2.98Å; T478-K480 PolarHBondContact O-N 3.34Å
479	Q	34.3	Very low	35.5	Very low	188 Å²	188	162.4 Å²	162.4	88%	0.879	85%	0.845	S	S	*	*			trans	-65.5	127.7	176.2	-72.6	176.1	-21.5	0	0	110.7	K481	Q479-K481 PolarHBondContact O-N 2.6Å
480	K	31.8	Very low	34.9	Very low	212 Å²	212	165.5 Å²	165.5	92%	0.922	86%	0.856	S	S	*	*			trans	-80.8	108	173.9	-153.4	175.5	-174	179.2	0	108	T478 S482	T478-K480 PolarHBondContact O-N 3.34Å; K480-S482 PolarHBondContact O-N 3.37Å
481	K	34	Very low	34.9	Very low	204 Å²	204	168.9 Å²	168.9	89%	0.887	87%	0.867	S	S	*	*			trans	-66.1	127.6	171.2	-88.7	-174.8	174.3	-179.9	0	109.9	Q479	Q479-K481 PolarHBondContact O-N 2.6Å
482	S	34.4	Very low	34.5	Very low	113 Å²	113	171.8 Å²	171.8	79%	0.79	87%	0.871	S	S	*	*			trans	-64.3	131.4	168	38.7	0	0	0	0	110.8	K480	K480-S482 PolarHBondContact O-N 3.37Å
483	K	35.7	Very low	34.4	Very low	214 Å²	214	170.5 Å²	170.5	93%	0.93	87%	0.874	S	S	*	*			trans	-98.9	109.7	158.8	-92.8	-174.9	173.2	-179.5	0	107.3
484	S	35	Very low	34.2	Very low	121 Å²	121	168.3 Å²	168.3	85%	0.846	87%	0.874	S	S	*	*			trans	-78.9	129.6	163.4	26.8	0	0	0	0	109
485	A	35.9	Very low	34.2	Very low	90 Å²	90	165.8 Å²	165.8	74%	0.744	87%	0.874	S	S	*	*			trans	-109.6	128.2	160	0	0	0	0	0	106.8
486	Q	39.2	Very low	34.4	Very low	194 Å²	194	173.6 Å²	173.6	91%	0.907	88%	0.884	S	S	*	*				169.5	137.1	125.6	-94.7	173.7	-16.2	0	0	112.1
487	K	33.1	Very low	34.4	Very low	284 Å²	284	177.5 Å²	177.5	100%	1.235	89%	0.893	S	S	*	*			trans	80.6	0	162	-101	177	173.1	-177.5	0	118.9

Retrieved 487 of 487 residues in 106.8 ms (Link to these results)

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