A0A087Y7L5_POEFO Loading...

Histone acetyltransferase

AlphaFold DB , UniProt , Accession A0A087Y7L5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 581 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.1	Very low	29.5	Very low	226 Å²	226	168.9 Å²	168.9	100%	1.113	87%	0.869	S	S	*	*				0	80.1	0	-53.4	173.3	-164.7	0	0	105.8
2	E	26.8	Very low	29.5	Very low	178 Å²	178	167.7 Å²	167.7	83%	0.832	87%	0.865	S	S	*	*				68.1	122.2	82.8	-65.7	179.2	139.4	0	0	112.1
3	A	29.5	Very low	29.6	Very low	97 Å²	97	163.1 Å²	163.1	80%	0.802	86%	0.857	S	S	*	*			cis	-145.2	-179.3	-6.8	0	0	0	0	0	106.9
4	C	24.7	Very low	29.8	Very low	107 Å²	107	163.2 Å²	163.2	72%	0.723	86%	0.857	S	S	*	*			cis	-171.7	138.9	33.8	179	0	0	0	0	106.1
5	C	30.2	Very low	30	Very low	131 Å²	131	163.6 Å²	163.6	89%	0.885	86%	0.859	S	S	*	*			cis	78.3	40.2	26.4	-157.3	0	0	0	0	117
6	C	28.6	Very low	30	Very low	112 Å²	112	160.1 Å²	160.1	76%	0.757	85%	0.852	S	S	*	*			trans	-153.3	89.8	166.3	-151.6	0	0	0	0	116.1
7	R	30.2	Very low	30.2	Very low	240 Å²	240	164.9 Å²	164.9	91%	0.906	86%	0.856	S	S	*	*	S	Bend	trans	174.5	83.8	146.9	-99.5	170.7	-168.6	-135.7	3.9	111.6
8	H	30.3	Very low	30.2	Very low	188 Å²	188	163.9 Å²	163.9	87%	0.87	86%	0.858	S	S	*	*			trans	-159.6	17.2	157.9	-114.1	84.6	0	0	0	115.4	K10	H8-K10 PolarHBondContact O-N 2.59Å; H8-K10 VanDerWaalsContact O-N 3.12Å
9	R	31.6	Very low	30.3	Very low	251 Å²	251	164.4 Å²	164.4	95%	0.947	86%	0.855	S	S	*	*			trans	-82.4	82.1	173.1	-82.5	-170.4	172.9	-174.7	-1	111.7
10	K	32.1	Very low	30.1	Very low	205 Å²	205	165.8 Å²	165.8	89%	0.891	85%	0.854	S	S	*	*	S	Bend	trans	-168.4	45.6	155.6	-113.9	175.4	-175	-173.9	0	114.7	H8	H8-K10 PolarHBondContact O-N 2.59Å; H8-K10 VanDerWaalsContact O-N 3.12Å
11	C	31.1	Very low	29.9	Very low	123 Å²	123	162.7 Å²	162.7	83%	0.831	85%	0.854	S	S	*	*	S	Bend	trans	-149.6	27.9	171.9	-97.3	0	0	0	0	114.3
12	N	30.4	Very low	29.8	Very low	154 Å²	154	157.7 Å²	157.7	82%	0.824	84%	0.84	S	S	*	*			trans	-139.4	89.9	177.8	-100.3	-23.1	0	0	0	110.8
13	S	30.6	Very low	29.9	Very low	108 Å²	108	156.8 Å²	156.8	76%	0.755	84%	0.84	S	S	*	*	S	Bend	trans	-152.1	20.6	176.3	66.9	0	0	0	0	114.3
14	L	32	Very low	29.8	Very low	165 Å²	165	161.5 Å²	161.5	86%	0.864	84%	0.842	S	S	*	*	S	Bend	trans	-133.4	8.5	-175.6	-81.4	172.8	0	0	0	115
15	L	32.6	Very low	29.8	Very low	169 Å²	169	160.1 Å²	160.1	89%	0.885	85%	0.846	S	S	*	*	S	Bend	trans	-129.3	31.8	-177.3	-76.8	173.2	0	0	0	113.9
16	S	30.1	Very low	29.7	Very low	108 Å²	108	161.9 Å²	161.9	76%	0.755	85%	0.846	S	S	*	*	S	Bend	trans	-125.5	34.9	179.6	67.9	0	0	0	0	113
17	R	33.8	Very low	29.7	Very low	241 Å²	241	163.1 Å²	163.1	91%	0.909	84%	0.843	S	S	*	*	S	Bend	trans	-150.8	30.1	-173.5	-121.5	-176.3	-173.4	-164.1	0.6	117.5
18	V	30.8	Very low	29.7	Very low	148 Å²	148	157.7 Å²	157.7	90%	0.897	84%	0.839	S	S	*	*			trans	-139.4	86.5	160.9	-171.4	0	0	0	0	110.3
19	E	30.6	Very low	29.5	Very low	172 Å²	172	158.5 Å²	158.5	80%	0.804	83%	0.834	S	S	*	*			trans	-151.5	144.2	157	-137.3	-176.7	-130.7	0	0	109.9
20	K	27.9	Very low	29.4	Very low	193 Å²	193	152.2 Å²	152.2	84%	0.839	82%	0.824	S	S	*	*			trans	59.9	86.1	176.5	-58	178.8	-174.1	174.9	0	116.9
21	A	25.8	Very low	29.1	Very low	101 Å²	101	154.5 Å²	154.5	84%	0.835	83%	0.827	S	S	*	*			trans	-134.4	124.2	141.9	0	0	0	0	0	108.3
22	S	26.8	Very low	28.9	Very low	120 Å²	120	156.8 Å²	156.8	84%	0.839	83%	0.825	S	S	*	*			trans	-122.1	121.6	178.1	175	0	0	0	0	108.2
23	I	28.7	Very low	29	Very low	160 Å²	160	160.7 Å²	160.7	82%	0.821	83%	0.828	S	S	*	*			trans	-131.6	129.3	178.4	-63.2	-176.8	0	0	0	108.2
24	K	27.1	Very low	29.5	Very low	196 Å²	196	160.9 Å²	160.9	85%	0.852	83%	0.827	S	S	*	*			trans	-76.2	152.2	174.5	-66.5	175.9	178.1	177.1	0	109.5
25	G	25.8	Very low	29.4	Very low	77 Å²	77	160.6 Å²	160.6	79%	0.794	83%	0.826	S	S	*	*			trans	-63.6	-174	-169.3	0	0	0	0	0	116.9
26	D	26.8	Very low	29.2	Very low	168 Å²	168	158.9 Å²	158.9	90%	0.898	82%	0.822	S	S	*	*			trans	-143.3	161.1	152.4	-135	-30.3	0	0	0	110.7
27	M	28	Very low	29	Very low	138 Å²	138	156.6 Å²	156.6	68%	0.68	82%	0.816	S	S	*	*			trans	-108.2	156.2	-177.8	-145.6	-162.9	-50.4	0	0	110.6	R29	M27-R29 HydrophobicContact SD-CG 3.89Å
28	P	30	Very low	28.8	Very low	126 Å²	126	150.7 Å²	150.7	82%	0.818	81%	0.811	S	S	*	*			trans	-129	124.7	132.4	4	17.4	0	0	0	113.9
29	R	28	Very low	28.7	Very low	205 Å²	205	150 Å²	150	77%	0.774	81%	0.807	S	S	*	*			trans	-68.2	159	145.2	-74.1	-179.4	173.6	-178.8	-3.3	108.4	M27	M27-R29 HydrophobicContact SD-CG 3.89Å
30	T	27.6	Very low	28.8	Very low	120 Å²	120	147.3 Å²	147.3	74%	0.736	81%	0.808	S	S	*	*			cis	-169	157	1.8	10.9	0	0	0	0	108.1
31	R	27.2	Very low	28.9	Very low	252 Å²	252	145.7 Å²	145.7	95%	0.951	81%	0.808	S	S	*	*			trans	-164.3	140.4	133.3	-110.5	169.6	-172.2	-158.1	0.6	111.5
32	Q	27.3	Very low	29	Very low	172 Å²	172	143.4 Å²	143.4	80%	0.804	79%	0.794	S	S	*	*			trans	-112.1	147.2	170.8	-65.7	176	-16	0	0	108.8
33	R	31.2	Very low	29.3	Very low	235 Å²	235	143.5 Å²	143.5	89%	0.887	79%	0.79	S	S	*	*				-177.3	164.1	103.9	-97.8	-166.1	170.8	-156.4	-3.9	111.6
34	P	41.9	Very low	29.5	Very low	113 Å²	113	144.1 Å²	144.1	73%	0.734	79%	0.789	S	S	*	*			trans	-107	179.8	-161.8	42	-36.9	0	0	0	113.8
35	L	29.1	Very low	29.6	Very low	159 Å²	159	141.3 Å²	141.3	83%	0.832	78%	0.784	S	S	*	*			trans	-158.8	159	147.9	-105.1	164.2	0	0	0	111.6
36	T	29	Very low	30	Very low	132 Å²	132	142.2 Å²	142.2	81%	0.81	78%	0.778	S	S	*	*			trans	-25	161	169.9	49.2	0	0	0	0	119.8
37	G	26.4	Very low	30.1	Very low	60 Å²	60	140.8 Å²	140.8	62%	0.619	77%	0.77	S	S	*	*			cis	162.9	-170.7	5.6	0	0	0	0	0	112.6
38	S	28.8	Very low	30.2	Very low	117 Å²	117	138.6 Å²	138.6	82%	0.818	77%	0.768	S	S	*	*			trans	72.1	131.7	-168.7	72.9	0	0	0	0	115
39	V	29.5	Very low	30.4	Very low	134 Å²	134	137.3 Å²	137.3	81%	0.812	76%	0.762	S	S	*	*			cis	90.1	97.7	10.5	-169.4	0	0	0	0	117.1
40	S	31.5	Very low	30.6	Very low	116 Å²	116	132 Å²	132	81%	0.811	76%	0.762	S	S	*	*			trans	158.7	165	132.8	48	0	0	0	0	111.4
41	D	30	Very low	30.7	Very low	159 Å²	159	135.9 Å²	135.9	85%	0.85	77%	0.772	S	S	*	*				-157.8	168.6	-57.7	-147.5	-19.4	0	0	0	109.5
42	G	29.3	Very low	30.9	Very low	52 Å²	52	134.9 Å²	134.9	54%	0.536	77%	0.768	S	S	.	*			trans	96.9	128.3	-179.8	0	0	0	0	0	113.5
43	T	31.7	Very low	31.1	Very low	123 Å²	123	134.5 Å²	134.5	76%	0.755	77%	0.767	S	S	*	*			cis	65.4	137.2	33.8	86	0	0	0	0	112.7
44	E	32.7	Very low	31	Very low	173 Å²	173	130 Å²	130	81%	0.808	76%	0.756	S	S	*	*			cis	-130.2	137.7	18.3	-74.4	173.2	158.2	0	0	110.1
45	D	29.5	Very low	30.4	Very low	137 Å²	137	129.7 Å²	129.7	73%	0.733	75%	0.752	S	S	*	*				62.5	110.6	91.6	-80.1	-69.4	0	0	0	115
46	S	35.1	Very low	30.3	Very low	96 Å²	96	130 Å²	130	67%	0.671	75%	0.754	S	S	*	*				100.2	159.3	88.1	-71.7	0	0	0	0	110.5
47	D	28.9	Very low	30.3	Very low	137 Å²	137	129 Å²	129	73%	0.733	75%	0.753	S	S	*	*			cis	-131.5	157.3	5.9	-112.3	-58.1	0	0	0	108.8
48	S	30.4	Very low	30.6	Very low	92 Å²	92	132.1 Å²	132.1	64%	0.643	77%	0.765	S	S	*	*				50.3	156.4	79.9	106.1	0	0	0	0	115.8
49	S	33.6	Very low	30.6	Very low	99 Å²	99	135.4 Å²	135.4	69%	0.692	77%	0.768	S	S	*	*			cis	-136.9	146.3	4.6	-87.1	0	0	0	0	108.5
50	A	32.2	Very low	30.7	Very low	94 Å²	94	134.2 Å²	134.2	78%	0.777	77%	0.765	S	S	*	*				60.5	117.5	66.6	0	0	0	0	0	114.5
51	E	28.8	Very low	30.6	Very low	201 Å²	201	136.5 Å²	136.5	94%	0.939	77%	0.768	S	S	*	*			trans	-151.5	161.9	153.3	-137.6	168.8	-140.8	0	0	111.3
52	R	32.6	Very low	30.4	Very low	231 Å²	231	131.7 Å²	131.7	87%	0.872	76%	0.756	S	S	*	*			trans	-141.1	172	-174.8	-97.1	-176.1	167.7	-167.6	-1.1	108.7
53	E	30	Very low	30.3	Very low	164 Å²	164	137.2 Å²	137.2	77%	0.766	77%	0.774	S	S	*	*			trans	115.5	156.1	153.6	-60.3	-152.5	143.6	0	0	115.7
54	Q	30.2	Very low	30	Very low	142 Å²	142	137.3 Å²	137.3	66%	0.664	77%	0.767	S	S	*	*			cis	-156.7	158.5	-41.6	-109	-166.3	72.2	0	0	107
55	T	29.1	Very low	30.2	Very low	105 Å²	105	134.3 Å²	134.3	64%	0.644	76%	0.762	S	S	*	*			trans	28.9	128.1	154	59	0	0	0	0	121.7
56	N	26.2	Very low	30.3	Very low	165 Å²	165	135.1 Å²	135.1	88%	0.882	76%	0.759	S	S	*	*				-164.1	164.9	112	-104	-32.6	0	0	0	113.7
57	S	30.7	Very low	30	Very low	113 Å²	113	141.1 Å²	141.1	79%	0.79	77%	0.767	S	S	*	*			trans	-147.3	148	-170	53.3	0	0	0	0	112.5
58	S	30.8	Very low	29.9	Very low	124 Å²	124	143.1 Å²	143.1	87%	0.867	77%	0.772	S	S	*	*			trans	-155.5	159.7	164.8	47.8	0	0	0	0	111.3
59	E	30.8	Very low	29.9	Very low	187 Å²	187	149.4 Å²	149.4	87%	0.874	78%	0.782	S	S	*	*			trans	-125.1	-165.9	-163.4	-58.6	-175	99.6	0	0	113.6
60	S	31.2	Very low	29.6	Very low	108 Å²	108	152.1 Å²	152.1	76%	0.755	79%	0.788	S	S	*	*			trans	69.9	145.8	179.5	72.1	0	0	0	0	116.1
61	D	28.6	Very low	29.3	Very low	165 Å²	165	153.1 Å²	153.1	88%	0.882	78%	0.784	S	S	*	*			cis	-155.5	162.3	-17.8	-111.1	-41.2	0	0	0	106.3
62	G	26.3	Very low	29.2	Very low	58 Å²	58	155 Å²	155	60%	0.598	78%	0.783	S	S	*	*			cis	172.3	178.4	0.9	0	0	0	0	0	110.7
63	N	26.7	Very low	29	Very low	168 Å²	168	148.6 Å²	148.6	90%	0.898	78%	0.779	S	S	*	*			trans	82	150	168.9	-139.3	-0	0	0	0	120.9
64	M	26.4	Very low	29	Very low	125 Å²	125	146.5 Å²	146.5	62%	0.616	78%	0.783	S	S	*	*			trans	-132.1	179.5	-171.3	-101.5	-85.5	101	0	0	107.5	K66	M64-K66 HydrophobicContact SD-CB 4.49Å; M64-K66 HydrophobicContact SD-CD 4.12Å; M64-K66 HydrophobicContact SD-CG 3.79Å
65	P	37	Very low	28.8	Very low	110 Å²	110	146.7 Å²	146.7	71%	0.714	79%	0.794	S	S	*	*			cis	-129.4	163.4	33.8	26.5	-0.1	0	0	0	114.2
66	K	30.1	Very low	28.8	Very low	153 Å²	153	152.9 Å²	152.9	67%	0.665	81%	0.805	S	S	*	*				54.1	142.8	63.4	-75.4	169.7	-172.2	170	0	112.7	M64	M64-K66 HydrophobicContact SD-CB 4.49Å; M64-K66 HydrophobicContact SD-CD 4.12Å; M64-K66 HydrophobicContact SD-CG 3.79Å
67	R	28.7	Very low	28.8	Very low	223 Å²	223	152.9 Å²	152.9	84%	0.842	81%	0.805	S	S	*	*			cis	-177	151.7	-16.5	-120.9	-176.3	-176.8	-168.3	2.3	105.3
68	Q	26.6	Very low	28.6	Very low	178 Å²	178	151.1 Å²	151.1	83%	0.832	79%	0.793	S	S	*	*				179.1	161.4	119.4	-99.6	179.9	24.8	0	0	113
69	R	32	Very low	28.4	Very low	225 Å²	225	153.6 Å²	153.6	85%	0.849	79%	0.79	S	S	*	*			trans	-142.8	120.6	177.2	178	-169.1	-169.9	-170.9	6.6	106.1
70	L	26.5	Very low	28.2	Very low	155 Å²	155	149.6 Å²	149.6	81%	0.812	78%	0.783	S	S	*	*			trans	-124.2	164	172.8	-76.8	175.6	0	0	0	110.6
71	T	26.6	Very low	28.1	Very low	115 Å²	115	149 Å²	149	71%	0.706	78%	0.779	S	S	*	*			trans	-136	170.5	-162.6	54.8	0	0	0	0	111.4
72	R	27.3	Very low	28.1	Very low	240 Å²	240	149.1 Å²	149.1	91%	0.906	77%	0.774	S	S	*	*			trans	71.1	109.6	149	-173.1	-168.6	-168.5	179.6	4.1	117.3
73	A	27.2	Very low	28.1	Very low	97 Å²	97	153.8 Å²	153.8	80%	0.802	79%	0.786	S	S	*	*				-166.2	154.6	118.5	0	0	0	0	0	110.8
74	S	29.5	Very low	28.3	Very low	121 Å²	121	151.7 Å²	151.7	85%	0.846	78%	0.779	S	S	*	*			trans	-118.6	142.1	169.6	-47.4	0	0	0	0	109.2
75	T	27.3	Very low	29	Very low	146 Å²	146	151 Å²	151	90%	0.896	78%	0.784	S	S	*	*			trans	-136.6	149.9	159.4	28	0	0	0	0	110.3
76	R	28.7	Very low	28.7	Very low	234 Å²	234	152.2 Å²	152.2	88%	0.883	78%	0.784	S	S	*	*			trans	-98.4	-174.7	174.1	-73.8	177.3	164.6	-177.1	-4.4	109.6
77	L	26.3	Very low	28.7	Very low	165 Å²	165	151.3 Å²	151.3	86%	0.864	79%	0.786	S	S	*	*			trans	93.3	145.7	163.5	-55	169.6	0	0	0	114.7
78	S	25.8	Very low	28.7	Very low	77 Å²	77	149.2 Å²	149.2	54%	0.538	78%	0.783	S	S	.	*			cis	-176.6	161.9	-28.8	48.2	0	0	0	0	109
79	Q	27.3	Very low	28.8	Very low	175 Å²	175	152.4 Å²	152.4	82%	0.818	79%	0.788	S	S	*	*			trans	69.5	128.6	168.4	-68.8	156	4.8	0	0	112.8
80	S	25.8	Very low	28.6	Very low	104 Å²	104	146.2 Å²	146.2	73%	0.727	78%	0.784	S	S	*	*				71.6	146.2	62.4	92.2	0	0	0	0	112.3
81	S	29.6	Very low	28.8	Very low	96 Å²	96	142.7 Å²	142.7	67%	0.671	78%	0.778	S	S	*	*			cis	-140.7	-168.2	18.9	-57	0	0	0	0	113
82	Q	28.6	Very low	29	Very low	166 Å²	166	144.4 Å²	144.4	78%	0.776	78%	0.782	S	S	*	*			trans	-52.9	157.9	171.2	-57.7	126.5	-70.7	0	0	113.3
83	D	26.8	Very low	29.1	Very low	157 Å²	157	142.3 Å²	142.3	84%	0.84	78%	0.782	S	S	*	*				-168.3	150.2	105.2	-94	-18.5	0	0	0	115.2
84	T	31.6	Very low	29.1	Very low	124 Å²	124	144.2 Å²	144.2	76%	0.761	78%	0.779	S	S	*	*			trans	-141.6	144	168.3	54.4	0	0	0	0	104.7
85	P	39.9	Very low	28.9	Very low	110 Å²	110	147.3 Å²	147.3	71%	0.714	78%	0.78	S	S	*	*				-161.7	176.5	76.5	45.5	-25.1	0	0	0	118.3
86	D	30	Very low	29.2	Very low	136 Å²	136	145.2 Å²	145.2	73%	0.727	77%	0.771	S	S	*	*			trans	54.7	116.5	135.4	-91.8	-40.3	0	0	0	123.9
87	L	31.1	Very low	30.6	Very low	134 Å²	134	139.6 Å²	139.6	70%	0.702	77%	0.766	S	S	*	*				166.1	155.2	86	-100.9	150.4	0	0	0	116.4
88	K	29.4	Very low	31.6	Very low	179 Å²	179	137.1 Å²	137.1	78%	0.778	76%	0.759	S	S	*	*			trans	74.5	108.9	150	-75	162.7	-177.8	175	0	123.2
89	R	28.3	Very low	31.8	Very low	245 Å²	245	140.7 Å²	140.7	93%	0.925	77%	0.771	S	S	*	*			trans	4.2	145.6	130.4	-60.4	173.9	170	173.1	-5.5	117.9
90	A	26.6	Very low	31.9	Very low	94 Å²	94	137.3 Å²	137.3	78%	0.777	76%	0.763	S	S	*	*				-171.1	158.6	54.7	0	0	0	0	0	116.6
91	A	31.4	Very low	32.6	Very low	82 Å²	82	138.4 Å²	138.4	68%	0.678	77%	0.768	S	S	*	*			trans	45.9	123.5	147.4	0	0	0	0	0	124.8
92	D	30.9	Very low	32.7	Very low	150 Å²	150	140.4 Å²	140.4	80%	0.802	78%	0.776	S	S	*	*				52.1	124.1	128.3	-48.7	-15.6	0	0	0	123.9
93	H	29.1	Very low	32.5	Very low	196 Å²	196	135.5 Å²	135.5	91%	0.907	77%	0.77	S	S	*	*				-157.4	168.5	107.3	-123.4	-87.4	0	0	0	113.3
94	D	28.5	Very low	32.5	Very low	137 Å²	137	136 Å²	136	73%	0.733	77%	0.773	S	S	*	*			trans	-120.5	154.7	-168.3	174.6	42	0	0	0	113.1
95	E	25.1	Very low	32.3	Very low	187 Å²	187	134.5 Å²	134.5	87%	0.874	77%	0.773	S	S	*	*			trans	-159.1	140.8	163.1	-142	-174.3	150	0	0	114.5
96	S	32.3	Very low	32.1	Very low	101 Å²	101	135.3 Å²	135.3	71%	0.706	78%	0.778	S	S	*	*			trans	-179.3	179.2	-178.9	-83.5	0	0	0	0	110.3
97	P	57.9	Low	32	Very low	117 Å²	117	133.7 Å²	133.7	76%	0.76	78%	0.778	S	S	*	*			cis	-108	-82.5	-12.6	18.2	5.7	0	0	0	111.8
98	P	47.1	Very low	31.8	Very low	112 Å²	112	133.3 Å²	133.3	73%	0.727	79%	0.786	S	S	*	*			cis	-94.9	-153.5	-26	42.3	-32.7	0	0	0	111.1
99	L	30.4	Very low	31.7	Very low	152 Å²	152	134 Å²	134	80%	0.796	79%	0.792	S	S	*	*			cis	-152.9	-169.3	-1.8	-138.8	-174.9	0	0	0	108.6
100	T	30.1	Very low	31.7	Very low	105 Å²	105	127.8 Å²	127.8	64%	0.644	79%	0.786	S	S	*	*			trans	-143.3	-177	178.5	58.1	0	0	0	0	112.4
101	P	41	Very low	31.7	Very low	127 Å²	127	132.4 Å²	132.4	83%	0.825	79%	0.792	S	S	*	*				-144.3	-166.1	100.5	38.6	-21.3	0	0	0	115.3
102	T	30.2	Very low	31.6	Very low	137 Å²	137	136.5 Å²	136.5	84%	0.84	80%	0.801	S	S	*	*			trans	-139.9	168.6	-148.6	46.7	0	0	0	0	117.4
103	G	25.3	Very low	31.3	Very low	64 Å²	64	137 Å²	137	66%	0.66	80%	0.804	S	S	*	*			trans	136.9	148.1	158.1	0	0	0	0	0	114.3
104	N	27.1	Very low	31.2	Very low	168 Å²	168	135.8 Å²	135.8	90%	0.898	80%	0.802	S	S	*	*			cis	-156.3	168.2	-10.5	-99.8	-12.7	0	0	0	109.8
105	A	26.9	Very low	31.2	Very low	92 Å²	92	134.6 Å²	134.6	76%	0.76	81%	0.805	S	S	*	*			trans	-102.7	-178.5	173	0	0	0	0	0	110.6
106	P	36.4	Very low	31.4	Very low	126 Å²	126	131.1 Å²	131.1	82%	0.818	80%	0.801	S	S	*	*			cis	-143.8	-165.1	41.4	43.6	-21.8	0	0	0	117.2
107	S	27	Very low	31.4	Very low	103 Å²	103	132.3 Å²	132.3	72%	0.72	81%	0.806	S	S	*	*			trans	-69.1	165.8	-172.4	49.6	0	0	0	0	118.7
108	S	26.3	Very low	30	Very low	125 Å²	125	134.6 Å²	134.6	87%	0.874	81%	0.812	S	S	*	*			trans	-152.5	147.5	144	-73.7	0	0	0	0	110.1
109	E	28	Very low	29.2	Very low	194 Å²	194	134.3 Å²	134.3	91%	0.907	82%	0.819	S	S	*	*			trans	-115.9	152.6	-176.5	-58.5	-177.7	144.5	0	0	111.2
110	S	28.6	Very low	29.1	Very low	114 Å²	114	132.1 Å²	132.1	80%	0.797	82%	0.816	S	S	*	*			trans	-163.8	112.2	158.4	60.9	0	0	0	0	111.2
111	E	26.1	Very low	29.2	Very low	192 Å²	192	135.1 Å²	135.1	90%	0.897	82%	0.823	S	S	*	*			trans	-75.5	139.4	160.8	-62.2	-177.6	130.8	0	0	109.7
112	L	28.6	Very low	28.6	Very low	168 Å²	168	136 Å²	136	88%	0.88	82%	0.82	S	S	*	*			trans	-149.2	110.6	157.3	-78.8	-175.7	0	0	0	109.8
113	D	26.3	Very low	28.7	Very low	160 Å²	160	136.5 Å²	136.5	86%	0.856	81%	0.814	S	S	*	*			trans	-65.1	145.8	157.1	-89.6	-48.4	0	0	0	110.2
114	I	26.9	Very low	28.9	Very low	170 Å²	170	138 Å²	138	87%	0.872	81%	0.814	S	S	*	*			trans	-161.1	144.6	147.6	-108.9	153.5	0	0	0	111.1
115	S	26.9	Very low	29	Very low	112 Å²	112	138 Å²	138	78%	0.783	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-76.5	153	-163.1	-47.6	0	0	0	0	116
116	S	29.1	Very low	29.3	Very low	114 Å²	114	139.3 Å²	139.3	80%	0.797	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-63	141.6	158.9	-55.2	0	0	0	0	111.8
117	P	34.2	Very low	29	Very low	126 Å²	126	142.1 Å²	142.1	82%	0.818	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-81.9	144.5	171.4	32.7	-33.7	0	0	0	112.4
118	N	26.9	Very low	29.2	Very low	166 Å²	166	144.9 Å²	144.9	89%	0.888	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-82.8	155.9	169.3	-82.6	-23.8	0	0	0	111.9
119	A	30.4	Very low	29.4	Very low	106 Å²	106	147.2 Å²	147.2	88%	0.876	82%	0.815	S	S	*	*			trans	-133.8	146.8	155.6	0	0	0	0	0	108.6
120	S	29.1	Very low	29.5	Very low	105 Å²	105	142 Å²	142	73%	0.734	81%	0.805	S	S	*	*			trans	-131.1	147.5	-157.1	53.8	0	0	0	0	114.7
121	H	31.2	Very low	29.5	Very low	169 Å²	169	144.6 Å²	144.6	78%	0.782	81%	0.81	S	S	*	*			trans	-166.7	131	144.1	-89.5	-58.7	0	0	0	106.7
122	D	28	Very low	29.8	Very low	144 Å²	144	146.2 Å²	146.2	77%	0.77	81%	0.808	S	S	*	*				53.1	122.2	80.8	-67.7	-31.5	0	0	0	113.4
123	E	32.6	Very low	29.9	Very low	149 Å²	149	146.1 Å²	146.1	70%	0.696	81%	0.808	S	S	*	*			cis	-139.2	-158.3	-5.7	-144.2	-130.2	138.9	0	0	106.8	Q125	E123-Q125 PolarHBondContact OE1-N 2.95Å; E123-Q125 PolarHBondContact OE1-NE2 2.67Å
124	S	31.2	Very low	30.1	Very low	96 Å²	96	143.6 Å²	143.6	67%	0.671	80%	0.803	S	S	*	*			cis	-152.6	177.1	12.2	69	0	0	0	0	115.4
125	Q	28.6	Very low	30.2	Very low	167 Å²	167	141.4 Å²	141.4	78%	0.78	79%	0.793	S	S	*	*			trans	-69.8	146.3	175.4	-57.2	165.3	45.7	0	0	112.3	E123	E123-Q125 PolarHBondContact OE1-N 2.95Å; E123-Q125 PolarHBondContact OE1-NE2 2.67Å
126	S	32.9	Very low	30.5	Very low	119 Å²	119	144 Å²	144	83%	0.832	79%	0.791	S	S	*	*				-154.6	170.6	82.4	58.6	0	0	0	0	114.5
127	K	30.7	Very low	30.4	Very low	186 Å²	186	145.1 Å²	145.1	81%	0.809	79%	0.787	S	S	*	*			trans	-95.5	160.3	179.2	-56.9	169.2	-178.9	169.5	0	110.6
128	D	30.1	Very low	30.3	Very low	161 Å²	161	145.9 Å²	145.9	86%	0.861	78%	0.784	S	S	*	*				-158.9	165.9	109.6	-116.3	-30	0	0	0	115.8
129	Q	30.3	Very low	30.4	Very low	174 Å²	174	142.8 Å²	142.8	81%	0.813	78%	0.775	S	S	*	*			trans	-108.6	167.6	-178.9	-75.3	173	-12.6	0	0	109.8
130	A	30.5	Very low	30.4	Very low	84 Å²	84	145.9 Å²	145.9	69%	0.694	77%	0.771	S	S	*	*			cis	-166.9	168.7	-20.1	0	0	0	0	0	107.5
131	N	29.4	Very low	30.5	Very low	168 Å²	168	151.6 Å²	151.6	90%	0.898	78%	0.777	S	S	*	*				-166.7	161.2	126.9	-113.9	-20.1	0	0	0	113.2
132	R	33.1	Very low	30.5	Very low	227 Å²	227	149.5 Å²	149.5	86%	0.857	78%	0.778	S	S	*	*			trans	-113	154.3	169.1	-67.2	175.8	172.8	174.9	-3.2	108.9
133	D	28.7	Very low	30.6	Very low	165 Å²	165	152.3 Å²	152.3	88%	0.882	78%	0.783	S	S	*	*			trans	-161.8	168	130.7	-104.5	-29	0	0	0	110.1
134	S	30.5	Very low	30.5	Very low	108 Å²	108	156.8 Å²	156.8	76%	0.755	79%	0.794	S	S	*	*			trans	-157.8	126.1	-170.9	-64.2	0	0	0	0	113.4
135	D	30.4	Very low	30.4	Very low	123 Å²	123	163.8 Å²	163.8	66%	0.658	81%	0.806	S	S	*	*			trans	-176.6	149.5	132.2	-112	-28.6	0	0	0	114
136	K	32	Very low	30.6	Very low	168 Å²	168	167.3 Å²	167.3	73%	0.73	81%	0.812	S	S	*	*			trans	43.9	139.7	139.3	-68.5	156.3	-166.1	139.3	0	121
137	D	28.5	Very low	30.2	Very low	136 Å²	136	167 Å²	167	73%	0.727	81%	0.808	S	S	*	*			cis	-159.6	170	-2.5	-152.1	4.1	0	0	0	114.2
138	L	31.6	Very low	30	Very low	143 Å²	143	166.4 Å²	166.4	75%	0.749	81%	0.808	S	S	*	*			trans	30.7	104.2	159.7	-70.2	175.2	0	0	0	121.4
139	S	29.1	Very low	30.1	Very low	101 Å²	101	165 Å²	165	71%	0.706	80%	0.797	S	S	*	*				144.1	170.6	103.9	74.4	0	0	0	0	116.1
140	H	29.5	Very low	30.3	Very low	171 Å²	171	163.1 Å²	163.1	79%	0.792	80%	0.797	S	S	*	*			trans	71	98.2	167	-75.4	80.4	0	0	0	120.5
141	R	32	Very low	30.8	Very low	225 Å²	225	164 Å²	164	85%	0.849	78%	0.783	S	S	*	*			trans	73.7	127.1	140.9	-157	176.7	-167.5	170.3	4.4	116.9	K143	R141-K143 PolarHBondContact O-N 2.87Å
142	P	30.2	Very low	31.4	Very low	125 Å²	125	162.2 Å²	162.2	81%	0.812	77%	0.773	S	S	*	*			trans	-66.2	108.1	178.7	27.1	-34	0	0	0	110.8	R144	P142-R144 PolarHBondContact O-N 3.44Å
143	K	30	Very low	31.7	Very low	202 Å²	202	159.4 Å²	159.4	88%	0.878	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-60.3	123.7	167.3	-68.9	175.6	-178.5	171.2	0	107.7	R141 R145	R141-K143 PolarHBondContact O-N 2.87Å; K143-R145 PolarHBondContact O-N 3.15Å
144	R	30.9	Very low	32.8	Very low	244 Å²	244	158.8 Å²	158.8	92%	0.921	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-50.6	131.1	170.2	-77.3	-179.5	170.7	177.8	-3.9	108	P142 R146	P142-R144 PolarHBondContact O-N 3.44Å; R144-R146 PolarHBondContact O-N 2.99Å
145	R	29.5	Very low	34.3	Very low	243 Å²	243	157.6 Å²	157.6	92%	0.917	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-50.5	130.5	168.3	-68.4	-178.1	177.2	-176.7	-1.6	107.5	K143 C147	K143-R145 PolarHBondContact O-N 3.15Å; R145-C147 PolarHBondContact O-N 2.84Å
146	R	32.3	Very low	36.5	Very low	241 Å²	241	159.5 Å²	159.5	91%	0.909	75%	0.75	S	S	*	*			trans	-57.5	114.6	162.8	-86.8	-175.8	172.2	173.7	-3.2	105.7	R144 H148	R144-R146 PolarHBondContact O-N 2.99Å; R146-H148 PolarHBondContact O-N 3.03Å; R146-H148 VanDerWaalsContact O-N 3.14Å
147	C	24.6	Very low	38.9	Very low	112 Å²	112	152 Å²	152	76%	0.757	72%	0.719	S	S	*	*			trans	-65.9	113.8	164.2	-168.6	0	0	0	0	105.4	R145 E149	R145-C147 PolarHBondContact O-N 2.84Å; C147-E149 PolarHBondContact O-N 3.12Å
148	H	27.6	Very low	41.5	Very low	173 Å²	173	149.6 Å²	149.6	80%	0.801	71%	0.711	S	S	*	*			trans	-60	132	166.1	-127.7	-89.7	0	0	0	106.8	R146 T150	R146-H148 PolarHBondContact O-N 3.03Å; R146-H148 VanDerWaalsContact O-N 3.14Å; H148-T150 PolarHBondContact O-N 3.03Å
149	E	32.4	Very low	43.8	Very low	133 Å²	133	143.2 Å²	143.2	62%	0.621	68%	0.677	S	S	*	*			trans	-65.1	111.7	-176.5	-72.2	163.9	92.9	0	0	109.5	C147 Y151	C147-E149 PolarHBondContact O-N 3.12Å; E149-Y151 HydrophobicContact CB-CD2 3.58Å; E149-Y151 HydrophobicContact CB-CE2 3.48Å; E149-Y151 VanDerWaalsContact CB-CE2 3.48Å; E149-Y151 VanDerWaalsContact CD-CE2 3.47Å; E149-Y151 HydrophobicContact CG-CE2 4.05Å; E149-Y151 PolarHBondContact O-N 3.23Å; E149-Y151 WeakPolarHBondContact OE1-CE2 3.35Å; E149-Y151 VanDerWaalsContact OE1-CZ 3.3Å; E149-Y151 PolarHBondContact OE1-OH 2.76Å
150	T	33.2	Very low	46.3	Very low	133 Å²	133	142.6 Å²	142.6	82%	0.816	67%	0.671	S	S	*	*			trans	-74.3	68.5	169.1	54.4	0	0	0	0	109.2	H148 N152	H148-T150 PolarHBondContact O-N 3.03Å; T150-N152 PolarHBondContact O-N 3.19Å; T150-N152 VanDerWaalsContact O-N 3.1Å
151	Y	42	Very low	48.8	Very low	103 Å²	103	138.5 Å²	138.5	40%	0.404	68%	0.675	S	S	.	*			trans	-56.8	115.1	165	-82.2	-82.1	0	0	0	108	E149 F153	E149-Y151 HydrophobicContact CB-CD2 3.58Å; E149-Y151 HydrophobicContact CB-CE2 3.48Å; E149-Y151 VanDerWaalsContact CB-CE2 3.48Å; E149-Y151 VanDerWaalsContact CD-CE2 3.47Å; E149-Y151 HydrophobicContact CG-CE2 4.05Å; E149-Y151 PolarHBondContact O-N 3.23Å; E149-Y151 WeakPolarHBondContact OE1-CE2 3.35Å; E149-Y151 VanDerWaalsContact OE1-CZ 3.3Å; E149-Y151 PolarHBondContact OE1-OH 2.76Å; Y151-F153 VanDerWaalsContact C-N 3.33Å; Y151-F153 WeakPolarHBondContact O-CD2 3.31Å; Y151-F153 PolarHBondContact O-N 3.17Å
152	N	40.4	Very low	51.5	Low	130 Å²	130	129 Å²	129	70%	0.695	64%	0.643	S	S	*	*			trans	-64.8	95.9	171.9	-107	-32	0	0	0	108.3	T150 N154 M155	T150-N152 PolarHBondContact O-N 3.19Å; T150-N152 VanDerWaalsContact O-N 3.1Å; N152-N154 PolarHBondContact O-N 2.91Å; N152-M155 HydrophobicContact CB-CG 4.08Å; N152-M155 PolarHBondContact O-N 3.11Å
153	F	40.2	Very low	54.3	Low	168 Å²	168	128.2 Å²	128.2	74%	0.737	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	-23.9	-170.7	-105.1	-98.7	0	0	0	113.9	Y151	Y151-F153 VanDerWaalsContact C-N 3.33Å; Y151-F153 WeakPolarHBondContact O-CD2 3.31Å; Y151-F153 PolarHBondContact O-N 3.17Å
154	N	51.2	Low	57	Low	152 Å²	152	118.7 Å²	118.7	81%	0.813	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-5.8	-178.6	-68.4	-9.2	0	0	0	115	N152 K156	N152-N154 PolarHBondContact O-N 2.91Å; N154-K156 PolarHBondContact O-N 3.47Å
155	M	63.4	Low	59.7	Low	84 Å²	84	111.4 Å²	111.4	41%	0.414	57%	0.57	S	S	.	*			trans	-71.1	129.5	174.6	-66.1	-60.3	-69.3	0	0	110.9	N152 R174 F176	N152-M155 HydrophobicContact CB-CG 4.08Å; N152-M155 PolarHBondContact O-N 3.11Å; M155-R174 PolarHBondContact O-NH2 3.39Å; M155-F176 HydrophobicContact CB-CD1 3.45Å; M155-F176 VanDerWaalsContact CB-CD1 3.45Å; M155-F176 HydrophobicContact CB-CE1 3.68Å; M155-F176 HydrophobicContact CB-CG 4.15Å; M155-F176 WeakPolarHBondContact O-CE1 3.24Å
156	K	76.9	Confident	62.4	Low	163 Å²	163	100.2 Å²	100.2	71%	0.709	53%	0.53	S	S	*	.			trans	-131.7	145.6	177.7	-64.3	-177.7	-178.6	-179.9	0	109.9	N154 S164	N154-K156 PolarHBondContact O-N 3.47Å; K156-S164 WeakPolarHBondContact CA-OG 3.41Å
157	C	81.3	Confident	65.1	Low	11 Å²	11	89 Å²	89	7%	0.074	49%	0.488	C	S	.	.			trans	-61.8	135.4	172.2	-177.9	0	0	0	0	110.7	T159 C162 S164 H175 C181	C157-T159 VanDerWaalsContact C-N 3.26Å; C157-T159 PolarHBondContact O-N 3.24Å; C157-T159 PolarHBondContact SG-OG1 2.98Å; C157-C162 HydrophobicContact CB-CB 4.28Å; C157-S164 PolarHBondContact N-OG 3.3Å; C157-H175 WeakPolarHBondContact CB-NE2 3.34Å; C157-H175 PolarHBondContact SG-CD2 2.76Å; C157-H175 PolarHBondContact SG-NE2 3.17Å; C157-C181 VanDerWaalsContact SG-SG 3.69Å
158	P	82.6	Confident	68.2	Low	85 Å²	85	84 Å²	84	55%	0.552	45%	0.454	S	S	*	.	S	Bend	trans	-76.9	-6.1	179.7	31.8	-37	0	0	0	114.1	P160 F176 I178	P158-P160 WeakPolarHBondContact O-CD 3.35Å; P158-F176 WeakPolarHBondContact CD-O 3.12Å; P158-I178 HydrophobicContact CG-CD1 4.12Å; P158-I178 HydrophobicContact CG-CG1 3.66Å
159	T	81.4	Confident	71	Confident	8 Å²	8	75.9 Å²	75.9	5%	0.049	42%	0.416	C	S	.	.	S	Bend	trans	-65.9	120.5	175.3	-58.1	0	0	0	0	110.4	C157 G161 C162	C157-T159 VanDerWaalsContact C-N 3.26Å; C157-T159 PolarHBondContact O-N 3.24Å; C157-T159 PolarHBondContact SG-OG1 2.98Å; T159-G161 PolarHBondContact O-N 2.98Å; T159-C162 HydrophobicContact CG2-CB 4.35Å; T159-C162 WeakPolarHBondContact O-CB 3.37Å; T159-C162 PolarHBondContact O-N 3.37Å; T159-C162 VanDerWaalsContact O-N 3.08Å
160	P	81.9	Confident	73.6	Confident	89 Å²	89	70.2 Å²	70.2	58%	0.578	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	135.8	-179.6	-27.8	36.4	0	0	0	113.1	P158 C162 T263	P158-P160 WeakPolarHBondContact O-CD 3.35Å; P160-C162 PolarHBondContact O-N 3.27Å; P160-T263 HydrophobicContact CG-CG2 4.08Å
161	G	81.8	Confident	76	Confident	85 Å²	85	68.4 Å²	68.4	88%	0.876	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	3.3	-177.4	0	0	0	0	0	115.3	T159	T159-G161 PolarHBondContact O-N 2.98Å
162	C	88.1	Confident	78	Confident	24 Å²	24	66 Å²	66	16%	0.162	37%	0.367	C	S	.	.			trans	-84.1	132.8	-179.7	-162.2	0	0	0	0	113.5	C157 T159 P160 S164 H175 L183	C157-C162 HydrophobicContact CB-CB 4.28Å; T159-C162 HydrophobicContact CG2-CB 4.35Å; T159-C162 WeakPolarHBondContact O-CB 3.37Å; T159-C162 PolarHBondContact O-N 3.37Å; T159-C162 VanDerWaalsContact O-N 3.08Å; P160-C162 PolarHBondContact O-N 3.27Å; C162-S164 VanDerWaalsContact C-N 3.3Å; C162-S164 PolarHBondContact O-N 2.9Å; C162-H175 PolarHBondContact SG-CE1 3.43Å; C162-H175 PolarHBondContact SG-NE2 3.12Å; C162-L183 HydrophobicContact CB-CD2 3.87Å
163	N	88.5	Confident	80.1	Confident	109 Å²	109	68.2 Å²	68.2	58%	0.583	37%	0.373	S	S	*	.			trans	-81.9	-1.2	175.8	64.6	4.8	0	0	0	114.1	L165	N163-L165 HydrophobicContact CB-CG 4.42Å; N163-L165 PolarHBondContact O-N 3.32Å; N163-L165 WeakPolarHBondContact OD1-CB 3.3Å; N163-L165 PolarHBondContact OD1-N 2.82Å
164	S	85.9	Confident	82.2	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.021	35%	0.349	C	S	.	.			trans	62.8	21.7	-177.1	-41.7	0	0	0	0	115	K156 C157 C162 R174 H175	K156-S164 WeakPolarHBondContact CA-OG 3.41Å; C157-S164 PolarHBondContact N-OG 3.3Å; C162-S164 VanDerWaalsContact C-N 3.3Å; C162-S164 PolarHBondContact O-N 2.9Å; S164-R174 VanDerWaalsContact O-CA 3.26Å; S164-R174 WeakPolarHBondContact O-CA 3.49Å; S164-R174 VanDerWaalsContact O-CB 3.32Å; S164-R174 WeakPolarHBondContact O-CB 3.43Å; S164-H175 WeakPolarHBondContact CB-O 3.33Å; S164-H175 PolarHBondContact O-N 3.1Å
165	L	87.8	Confident	83.8	Confident	90 Å²	90	56 Å²	56	47%	0.471	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-98.5	152.8	175.9	-58.9	-176.5	0	0	0	112	N163 R174 H175	N163-L165 HydrophobicContact CB-CG 4.42Å; N163-L165 PolarHBondContact O-N 3.32Å; N163-L165 WeakPolarHBondContact OD1-CB 3.3Å; N163-L165 PolarHBondContact OD1-N 2.82Å; L165-R174 HydrophobicContact CD2-CG 4.21Å; L165-H175 PolarHBondContact O-CE1 3.38Å; L165-H175 VanDerWaalsContact O-CE1 3.29Å; L165-H175 PolarHBondContact O-ND1 2.97Å
166	G	86.6	Confident	84.7	Confident	8 Å²	8	53.6 Å²	53.6	8%	0.082	30%	0.298	C	S	.	.	S	Bend	trans	64.7	-178.4	-171.9	0	0	0	0	0	113.3	H172 E173 R174 H175	G166-H172 CarbonylContact C-O 3.36Å; G166-E173 PolarHBondContact N-O 3.41Å; G166-R174 CarbonylContact O-C 3Å; G166-H175 WeakPolarHBondContact O-CB 3.45Å; G166-H175 PolarHBondContact O-N 2.84Å; G166-H175 PolarHBondContact O-ND1 3.43Å
167	H	89.4	Confident	84.9	Confident	7 Å²	7	47.1 Å²	47.1	3%	0.032	27%	0.274	C	S	.	.			trans	-153.2	150.1	176.7	-166.7	-91.3	0	0	0	109.8	T169 G170 H172 H175 G180 C192 S288	H167-T169 WeakPolarHBondContact ND1-CG2 3.47Å; H167-T169 PolarHBondContact ND1-N 3.34Å; H167-T169 PolarHBondContact ND1-OG1 3.29Å; H167-T169 PolarHBondContact O-N 2.81Å; H167-T169 VanDerWaalsContact O-N 3.13Å; H167-G170 WeakPolarHBondContact O-CA 3.32Å; H167-G170 PolarHBondContact O-N 3.49Å; H167-H172 HydrophobicContact CB-CB 3.75Å; H167-H172 WeakPolarHBondContact CB-O 3.4Å; H167-H172 AromaticContact CD2-ND1 3.68Å; H167-H172 AromaticContact CE1-ND1 3.54Å; H167-H172 AromaticContact CG-ND1 3.4Å; H167-H172 PolarHBondContact N-O 2.85Å; H167-H172 AromaticContact ND1-CE1 3.98Å; H167-H172 AromaticContact ND1-ND1 3.26Å; H167-H172 PolarHBondContact ND1-ND1 3.4Å; H167-H172 AromaticContact NE2-ND1 3.79Å; H167-H175 HydrophobicContact CB-CB 4.45Å; H167-H175 VanDerWaalsContact CD2-CB 3.48Å; H167-H175 WeakPolarHBondContact CD2-CB 3.48Å; H167-G180 CarbonylContact C-O 3.46Å; H167-G180 WeakPolarHBondContact CA-O 3.31Å; H167-C192 WeakPolarHBondContact O-CB 3.34Å; H167-S288 PolarHBondContact CE1-OG 2.9Å; H167-S288 VanDerWaalsContact CE1-OG 3.22Å
168	L	89.4	Confident	85	Confident	7 Å²	7	50.1 Å²	50.1	4%	0.037	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-33.1	-178.4	-175.9	66.8	0	0	0	113.4	G170 G180 H185 L187 Q284	L168-G170 PolarHBondContact O-N 3.36Å; L168-G180 PolarHBondContact N-O 2.9Å; L168-H185 HydrophobicContact CD1-CB 3.97Å; L168-L187 HydrophobicContact CD1-CD1 4.07Å; L168-Q284 HydrophobicContact CD2-CG 3.96Å
169	T	86.4	Confident	85.2	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.3	175.3	59.1	0	0	0	0	113.8	H167 K171 H172 A196 R199 A285 E289	H167-T169 WeakPolarHBondContact ND1-CG2 3.47Å; H167-T169 PolarHBondContact ND1-N 3.34Å; H167-T169 PolarHBondContact ND1-OG1 3.29Å; H167-T169 PolarHBondContact O-N 2.81Å; H167-T169 VanDerWaalsContact O-N 3.13Å; T169-K171 PolarHBondContact O-N 3.49Å; T169-K171 PolarHBondContact OG1-N 3.47Å; T169-H172 PolarHBondContact OG1-CE1 3.11Å; T169-H172 PolarHBondContact OG1-ND1 2.96Å; T169-A196 WeakPolarHBondContact O-CB 3.35Å; T169-R199 PolarHBondContact O-NH2 2.86Å; T169-A285 WeakPolarHBondContact CG2-O 3.42Å; T169-E289 HydrophobicContact CG2-CB 3.64Å; T169-E289 HydrophobicContact CG2-CG 4.01Å
170	G	86.4	Confident	85.4	Confident	15 Å²	15	47.8 Å²	47.8	16%	0.155	28%	0.275	C	S	.	.	S	Bend	trans	72.4	-5.6	-170.8	0	0	0	0	0	115.3	H167 L168 C192	H167-G170 WeakPolarHBondContact O-CA 3.32Å; H167-G170 PolarHBondContact O-N 3.49Å; L168-G170 PolarHBondContact O-N 3.36Å; G170-C192 VanDerWaalsContact CA-O 3.31Å; G170-C192 WeakPolarHBondContact CA-O 3.45Å
171	K	85.4	Confident	85.8	Confident	94 Å²	94	43.5 Å²	43.5	41%	0.409	25%	0.248	S	C	.	.	S	Bend	trans	-93.8	-17.1	-172.2	-69.7	174.3	171.5	172.3	0	115	T169 E200 E289	T169-K171 PolarHBondContact O-N 3.49Å; T169-K171 PolarHBondContact OG1-N 3.47Å; K171-E200 WeakPolarHBondContact CE-OE1 3.49Å; K171-E200 IonicContact NZ-OE1 2.68Å; K171-E289 WeakPolarHBondContact CD-OE2 3.42Å; K171-E289 WeakPolarHBondContact CE-OE2 3.49Å; K171-E289 IonicContact NZ-OE1 2.69Å; K171-E289 IonicContact NZ-OE2 2.59Å; K171-E289 PolarHBondContact NZ-OE2 3.36Å
172	H	83.4	Confident	86.2	Confident	54 Å²	54	39.7 Å²	39.7	25%	0.25	21%	0.207	C	C	.	.			trans	-117.8	139.9	-174.1	-38.7	128.6	0	0	0	110.8	G166 H167 T169 R174 E292	G166-H172 CarbonylContact C-O 3.36Å; H167-H172 HydrophobicContact CB-CB 3.75Å; H167-H172 WeakPolarHBondContact CB-O 3.4Å; H167-H172 AromaticContact CD2-ND1 3.68Å; H167-H172 AromaticContact CE1-ND1 3.54Å; H167-H172 AromaticContact CG-ND1 3.4Å; H167-H172 PolarHBondContact N-O 2.85Å; H167-H172 AromaticContact ND1-CE1 3.98Å; H167-H172 AromaticContact ND1-ND1 3.26Å; H167-H172 PolarHBondContact ND1-ND1 3.4Å; H167-H172 AromaticContact NE2-ND1 3.79Å; T169-H172 PolarHBondContact OG1-CE1 3.11Å; T169-H172 PolarHBondContact OG1-ND1 2.96Å; H172-R174 VanDerWaalsContact C-N 3.25Å; H172-R174 PolarHBondContact O-N 3.07Å; H172-E292 VanDerWaalsContact CE1-CG 3.48Å; H172-E292 WeakPolarHBondContact CE1-CG 3.32Å
173	E	83.4	Confident	86.3	Confident	175 Å²	175	40.9 Å²	40.9	82%	0.818	21%	0.212	S	C	*	.	S	Bend	trans	-70.4	-21.6	-176.8	-59.1	-174.7	159.8	0	0	113.5	G166	G166-E173 PolarHBondContact N-O 3.41Å
174	R	84	Confident	86.3	Confident	63 Å²	63	38.4 Å²	38.4	24%	0.238	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-142.4	161.4	-176	-61.2	-171.8	67.9	-172.6	-2.9	111.1	M155 S164 L165 G166 H172 F176	M155-R174 PolarHBondContact O-NH2 3.39Å; S164-R174 VanDerWaalsContact O-CA 3.26Å; S164-R174 WeakPolarHBondContact O-CA 3.49Å; S164-R174 VanDerWaalsContact O-CB 3.32Å; S164-R174 WeakPolarHBondContact O-CB 3.43Å; L165-R174 HydrophobicContact CD2-CG 4.21Å; G166-R174 CarbonylContact O-C 3Å; H172-R174 VanDerWaalsContact C-N 3.25Å; H172-R174 PolarHBondContact O-N 3.07Å; R174-F176 HydrophobicContact CB-CZ 4.12Å
175	H	85.9	Confident	86.4	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.009	20%	0.195	C	C	.	.			trans	-140.1	152.7	174.1	66.5	-88	0	0	0	111.1	C157 C162 S164 L165 G166 H167 C181	C157-H175 WeakPolarHBondContact CB-NE2 3.34Å; C157-H175 PolarHBondContact SG-CD2 2.76Å; C157-H175 PolarHBondContact SG-NE2 3.17Å; C162-H175 PolarHBondContact SG-CE1 3.43Å; C162-H175 PolarHBondContact SG-NE2 3.12Å; S164-H175 WeakPolarHBondContact CB-O 3.33Å; S164-H175 PolarHBondContact O-N 3.1Å; L165-H175 PolarHBondContact O-CE1 3.38Å; L165-H175 VanDerWaalsContact O-CE1 3.29Å; L165-H175 PolarHBondContact O-ND1 2.97Å; G166-H175 WeakPolarHBondContact O-CB 3.45Å; G166-H175 PolarHBondContact O-N 2.84Å; G166-H175 PolarHBondContact O-ND1 3.43Å; H167-H175 HydrophobicContact CB-CB 4.45Å; H167-H175 VanDerWaalsContact CD2-CB 3.48Å; H167-H175 WeakPolarHBondContact CD2-CB 3.48Å; H175-C181 VanDerWaalsContact CD2-CA 3.46Å; H175-C181 WeakPolarHBondContact CD2-CA 3.19Å; H175-C181 WeakPolarHBondContact NE2-CB 3.36Å; H175-C181 PolarHBondContact NE2-SG 3.42Å
176	F	82.4	Confident	86.5	Confident	33 Å²	33	36.6 Å²	36.6	15%	0.145	19%	0.185	C	C	.	.			trans	-127.1	-16.3	-177.6	-51.7	-68.3	0	0	0	113.8	M155 P158 R174	M155-F176 HydrophobicContact CB-CD1 3.45Å; M155-F176 VanDerWaalsContact CB-CD1 3.45Å; M155-F176 HydrophobicContact CB-CE1 3.68Å; M155-F176 HydrophobicContact CB-CG 4.15Å; M155-F176 WeakPolarHBondContact O-CE1 3.24Å; P158-F176 WeakPolarHBondContact CD-O 3.12Å; R174-F176 HydrophobicContact CB-CZ 4.12Å
177	A	80.2	Confident	86.7	Confident	26 Å²	26	37.5 Å²	37.5	22%	0.215	19%	0.188	C	C	.	.	S	Bend	trans	-108.7	155.5	177.2	0	0	0	0	0	111.9	S179 G180 C181	A177-S179 VanDerWaalsContact C-N 3.29Å; A177-S179 WeakPolarHBondContact CB-OG 3.43Å; A177-S179 PolarHBondContact O-N 3.46Å; A177-G180 PolarHBondContact O-N 2.93Å; A177-G180 VanDerWaalsContact O-N 3.1Å; A177-C181 PolarHBondContact O-N 2.85Å
178	I	84.6	Confident	86.7	Confident	74 Å²	74	39.5 Å²	39.5	38%	0.379	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-61.6	-40.4	177.9	-57.6	179.2	0	0	0	110.6	P158 G180 C181 Y184	P158-I178 HydrophobicContact CG-CD1 4.12Å; P158-I178 HydrophobicContact CG-CG1 3.66Å; I178-G180 PolarHBondContact O-N 3.41Å; I178-G180 VanDerWaalsContact O-N 3.15Å; I178-C181 VanDerWaalsContact O-CB 3.28Å; I178-C181 WeakPolarHBondContact O-CB 3.31Å; I178-C181 PolarHBondContact O-N 2.84Å; I178-Y184 HydrophobicContact CG2-CD1 3.56Å; I178-Y184 HydrophobicContact CG2-CD2 3.45Å; I178-Y184 VanDerWaalsContact CG2-CD2 3.45Å; I178-Y184 HydrophobicContact CG2-CE1 3.8Å; I178-Y184 HydrophobicContact CG2-CE2 3.69Å; I178-Y184 HydrophobicContact CG2-CG 3.39Å
179	S	85.3	Confident	86.6	Confident	43 Å²	43	40.4 Å²	40.4	30%	0.301	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-62.1	-13.3	174.7	49.2	0	0	0	0	115	A177 S288 L291	A177-S179 VanDerWaalsContact C-N 3.29Å; A177-S179 WeakPolarHBondContact CB-OG 3.43Å; A177-S179 PolarHBondContact O-N 3.46Å; S179-S288 WeakPolarHBondContact O-CB 3.41Å; S179-S288 PolarHBondContact O-OG 3.12Å; S179-L291 VanDerWaalsContact OG-CD2 3.27Å; S179-L291 WeakPolarHBondContact OG-CD2 3.47Å
180	G	85.7	Confident	86.7	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.01	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-106.9	-3.9	173.3	0	0	0	0	0	113.8	H167 L168 A177 I178 P182	H167-G180 CarbonylContact C-O 3.46Å; H167-G180 WeakPolarHBondContact CA-O 3.31Å; L168-G180 PolarHBondContact N-O 2.9Å; A177-G180 PolarHBondContact O-N 2.93Å; A177-G180 VanDerWaalsContact O-N 3.1Å; I178-G180 PolarHBondContact O-N 3.41Å; I178-G180 VanDerWaalsContact O-N 3.15Å; G180-P182 WeakPolarHBondContact O-CD 3.38Å
181	C	90.3	Very high	86.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.			trans	-87.1	113.3	-167	-178.5	0	0	0	0	112.8	C157 H175 A177 I178 L183 Y184 H185	C157-C181 VanDerWaalsContact SG-SG 3.69Å; H175-C181 VanDerWaalsContact CD2-CA 3.46Å; H175-C181 WeakPolarHBondContact CD2-CA 3.19Å; H175-C181 WeakPolarHBondContact NE2-CB 3.36Å; H175-C181 PolarHBondContact NE2-SG 3.42Å; A177-C181 PolarHBondContact O-N 2.85Å; I178-C181 VanDerWaalsContact O-CB 3.28Å; I178-C181 WeakPolarHBondContact O-CB 3.31Å; I178-C181 PolarHBondContact O-N 2.84Å; C181-L183 VanDerWaalsContact C-N 3.31Å; C181-L183 PolarHBondContact O-N 3.48Å; C181-Y184 PolarHBondContact O-N 3.27Å; C181-Y184 PolarHBondContact SG-N 3.31Å; C181-H185 PolarHBondContact O-CD2 2.68Å; C181-H185 VanDerWaalsContact O-CD2 3.22Å; C181-H185 PolarHBondContact O-N 3.04Å
182	P	91.3	Very high	87.1	Confident	4 Å²	4	43.7 Å²	43.7	3%	0.026	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-44.6	176.9	-24.3	35.5	0	0	0	112.1	G180 Y184 H185 N186 L187	G180-P182 WeakPolarHBondContact O-CD 3.38Å; P182-Y184 VanDerWaalsContact C-N 3.29Å; P182-Y184 PolarHBondContact O-N 3.19Å; P182-H185 CarbonylContact O-C 3.6Å; P182-H185 PolarHBondContact O-N 3.03Å; P182-H185 VanDerWaalsContact O-N 3.07Å; P182-N186 PolarHBondContact O-N 2.94Å; P182-L187 CarbonylContact C-O 3.37Å; P182-L187 HydrophobicContact CB-CB 4.43Å; P182-L187 WeakPolarHBondContact CB-O 3.27Å; P182-L187 PolarHBondContact O-N 3.2Å
183	L	89.5	Confident	87.4	Confident	49 Å²	49	46.1 Å²	46.1	26%	0.257	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-35	-178.1	-173.7	66.4	0	0	0	113.1	C162 C181 N186 L187	C162-L183 HydrophobicContact CB-CD2 3.87Å; C181-L183 VanDerWaalsContact C-N 3.31Å; C181-L183 PolarHBondContact O-N 3.48Å; L183-N186 PolarHBondContact O-N 2.57Å; L183-L187 PolarHBondContact N-O 3.03Å
184	Y	88.9	Confident	87.7	Confident	58 Å²	58	42.8 Å²	42.8	23%	0.227	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-43.2	175.4	176.3	-98.2	0	0	0	111.2	I178 C181 P182 N186 T263 E265	I178-Y184 HydrophobicContact CG2-CD1 3.56Å; I178-Y184 HydrophobicContact CG2-CD2 3.45Å; I178-Y184 VanDerWaalsContact CG2-CD2 3.45Å; I178-Y184 HydrophobicContact CG2-CE1 3.8Å; I178-Y184 HydrophobicContact CG2-CE2 3.69Å; I178-Y184 HydrophobicContact CG2-CG 3.39Å; C181-Y184 PolarHBondContact O-N 3.27Å; C181-Y184 PolarHBondContact SG-N 3.31Å; P182-Y184 VanDerWaalsContact C-N 3.29Å; P182-Y184 PolarHBondContact O-N 3.19Å; Y184-N186 PolarHBondContact O-N 2.95Å; Y184-T263 WeakPolarHBondContact CD2-O 3.09Å; Y184-E265 HydrophobicContact CD1-CB 4.24Å; Y184-E265 HydrophobicContact CE1-CB 3.91Å; Y184-E265 VanDerWaalsContact O-CB 3.29Å; Y184-E265 WeakPolarHBondContact O-CB 3.35Å; Y184-E265 PolarHBondContact O-N 3.39Å
185	H	88.8	Confident	87.9	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.037	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	13.8	178	-63.4	-69.3	0	0	0	113.9	L168 C181 P182 L187 E265 Q284	L168-H185 HydrophobicContact CD1-CB 3.97Å; C181-H185 PolarHBondContact O-CD2 2.68Å; C181-H185 VanDerWaalsContact O-CD2 3.22Å; C181-H185 PolarHBondContact O-N 3.04Å; P182-H185 CarbonylContact O-C 3.6Å; P182-H185 PolarHBondContact O-N 3.03Å; P182-H185 VanDerWaalsContact O-N 3.07Å; H185-L187 VanDerWaalsContact C-N 3.31Å; H185-L187 PolarHBondContact O-N 3.41Å; H185-E265 IonicContact CE1-OE1 3.58Å; H185-E265 IonicContact CG-OE1 2.68Å; H185-E265 IonicContact ND1-OE1 3.57Å; H185-E265 PolarHBondContact ND1-OE1 3.29Å; H185-E265 IonicContact ND1-OE2 3.54Å; H185-Q284 PolarHBondContact CE1-NE2 3.27Å; H185-Q284 PolarHBondContact ND1-NE2 3.05Å
186	N	89.9	Confident	87.9	Confident	47 Å²	47	43.2 Å²	43.2	25%	0.251	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	36.9	-176.8	-49.6	-80.5	0	0	0	114	P182 L183 Y184 H256 R264 E265	P182-N186 PolarHBondContact O-N 2.94Å; L183-N186 PolarHBondContact O-N 2.57Å; Y184-N186 PolarHBondContact O-N 2.95Å; N186-H256 PolarHBondContact ND2-NE2 3.41Å; N186-H256 VanDerWaalsContact ND2-NE2 3.15Å; N186-H256 PolarHBondContact OD1-NE2 2.84Å; N186-R264 WeakPolarHBondContact OD1-CD 3.46Å; N186-E265 PolarHBondContact ND2-O 2.69Å
187	L	89.1	Confident	88.2	Confident	26 Å²	26	46.2 Å²	46.2	14%	0.136	25%	0.253	C	S	.	.			trans	-123	153.1	177.6	-66.6	171.7	0	0	0	111.7	L168 P182 L183 H185	L168-L187 HydrophobicContact CD1-CD1 4.07Å; P182-L187 CarbonylContact C-O 3.37Å; P182-L187 HydrophobicContact CB-CB 4.43Å; P182-L187 WeakPolarHBondContact CB-O 3.27Å; P182-L187 PolarHBondContact O-N 3.2Å; L183-L187 PolarHBondContact N-O 3.03Å; H185-L187 VanDerWaalsContact C-N 3.31Å; H185-L187 PolarHBondContact O-N 3.41Å
188	S	89.8	Confident	88.4	Confident	50 Å²	50	47.7 Å²	47.7	35%	0.35	26%	0.261	S	S	.	.			trans	-80.7	162.4	165.3	67.6	0	0	0	0	112.3	D190 E191 C192	S188-D190 VanDerWaalsContact C-N 3.26Å; S188-D190 PolarHBondContact O-N 3.24Å; S188-E191 VanDerWaalsContact CB-OE2 3.24Å; S188-E191 WeakPolarHBondContact CB-OE2 3.16Å; S188-E191 PolarHBondContact N-OE2 2.71Å; S188-E191 WeakPolarHBondContact OG-CB 3.39Å; S188-E191 VanDerWaalsContact OG-CG 3.23Å; S188-E191 WeakPolarHBondContact OG-CG 3.49Å; S188-E191 PolarHBondContact OG-N 3.45Å; S188-E191 VanDerWaalsContact OG-N 3.16Å; S188-E191 PolarHBondContact OG-OE2 3.04Å; S188-C192 PolarHBondContact O-N 2.8Å; S188-C192 PolarHBondContact O-SG 3.06Å; S188-C192 VanDerWaalsContact O-SG 3.39Å
189	A	88.3	Confident	88.4	Confident	25 Å²	25	45.4 Å²	45.4	21%	0.207	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-35.1	174	0	0	0	0	0	112.4	C192 K193	A189-C192 WeakPolarHBondContact O-CB 3.48Å; A189-C192 PolarHBondContact O-N 3.17Å; A189-K193 WeakPolarHBondContact O-CG 3.45Å; A189-K193 PolarHBondContact O-N 3.14Å; A189-K193 VanDerWaalsContact O-N 3.16Å
190	D	88.8	Confident	88.4	Confident	92 Å²	92	47.1 Å²	47.1	49%	0.492	25%	0.251	S	S	.	.	H	α-helix	trans	-81.4	-34.4	-174.8	-59.8	-63.2	0	0	0	112.7	S188 C192 K193 V194	S188-D190 VanDerWaalsContact C-N 3.26Å; S188-D190 PolarHBondContact O-N 3.24Å; D190-C192 VanDerWaalsContact C-N 3.26Å; D190-C192 PolarHBondContact O-N 3.11Å; D190-K193 WeakPolarHBondContact O-CB 3.33Å; D190-K193 PolarHBondContact O-N 3Å; D190-K193 VanDerWaalsContact O-N 3.15Å; D190-K193 WeakPolarHBondContact OD1-CD 3.32Å; D190-K193 WeakPolarHBondContact OD1-CE 3.23Å; D190-K193 IonicContact OD1-NZ 2.68Å; D190-K193 PolarHBondContact OD1-NZ 3.49Å; D190-V194 WeakPolarHBondContact O-CG2 3.38Å; D190-V194 PolarHBondContact O-N 3.29Å
191	E	89.3	Confident	88.4	Confident	86 Å²	86	53.1 Å²	53.1	40%	0.402	28%	0.277	S	S	.	.	H	α-helix	trans	-59.7	-38.3	166.2	-72.6	165.9	103	0	0	111.7	S188 V194 K195	S188-E191 VanDerWaalsContact CB-OE2 3.24Å; S188-E191 WeakPolarHBondContact CB-OE2 3.16Å; S188-E191 PolarHBondContact N-OE2 2.71Å; S188-E191 WeakPolarHBondContact OG-CB 3.39Å; S188-E191 VanDerWaalsContact OG-CG 3.23Å; S188-E191 WeakPolarHBondContact OG-CG 3.49Å; S188-E191 PolarHBondContact OG-N 3.45Å; S188-E191 VanDerWaalsContact OG-N 3.16Å; S188-E191 PolarHBondContact OG-OE2 3.04Å; E191-V194 PolarHBondContact O-N 2.94Å; E191-K195 WeakPolarHBondContact O-CB 3.22Å; E191-K195 VanDerWaalsContact O-CG 3.28Å; E191-K195 WeakPolarHBondContact O-CG 3.33Å; E191-K195 PolarHBondContact O-N 3.43Å
192	C	89	Confident	87.9	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-39.5	174.5	-71.5	0	0	0	0	112.1	H167 G170 S188 A189 D190 K195 A196	H167-C192 WeakPolarHBondContact O-CB 3.34Å; G170-C192 VanDerWaalsContact CA-O 3.31Å; G170-C192 WeakPolarHBondContact CA-O 3.45Å; S188-C192 PolarHBondContact O-N 2.8Å; S188-C192 PolarHBondContact O-SG 3.06Å; S188-C192 VanDerWaalsContact O-SG 3.39Å; A189-C192 WeakPolarHBondContact O-CB 3.48Å; A189-C192 PolarHBondContact O-N 3.17Å; D190-C192 VanDerWaalsContact C-N 3.26Å; D190-C192 PolarHBondContact O-N 3.11Å; C192-K195 PolarHBondContact O-N 2.93Å; C192-A196 PolarHBondContact O-N 3.06Å
193	K	89.7	Confident	87.3	Confident	106 Å²	106	59.6 Å²	59.6	46%	0.461	31%	0.307	S	S	.	.	H	α-helix	trans	-63.5	-49	173.4	-65.4	170	-166.9	166.3	0	111.9	A189 D190 K195 A196 V197	A189-K193 WeakPolarHBondContact O-CG 3.45Å; A189-K193 PolarHBondContact O-N 3.14Å; A189-K193 VanDerWaalsContact O-N 3.16Å; D190-K193 WeakPolarHBondContact O-CB 3.33Å; D190-K193 PolarHBondContact O-N 3Å; D190-K193 VanDerWaalsContact O-N 3.15Å; D190-K193 WeakPolarHBondContact OD1-CD 3.32Å; D190-K193 WeakPolarHBondContact OD1-CE 3.23Å; D190-K193 IonicContact OD1-NZ 2.68Å; D190-K193 PolarHBondContact OD1-NZ 3.49Å; K193-K195 VanDerWaalsContact C-N 3.27Å; K193-K195 PolarHBondContact O-N 3.41Å; K193-A196 WeakPolarHBondContact O-CA 3.48Å; K193-A196 VanDerWaalsContact O-CB 3.28Å; K193-A196 WeakPolarHBondContact O-CB 3.36Å; K193-A196 PolarHBondContact O-N 2.72Å; K193-V197 PolarHBondContact O-N 2.62Å; K193-V197 VanDerWaalsContact O-N 3.15Å
194	V	91.4	Very high	86.9	Confident	105 Å²	105	63.1 Å²	63.1	64%	0.636	32%	0.322	S	S	*	.	H	α-helix	trans	-59.1	-41.2	177.9	173.2	0	0	0	0	110.9	D190 E191 A196 V197 S198	D190-V194 WeakPolarHBondContact O-CG2 3.38Å; D190-V194 PolarHBondContact O-N 3.29Å; E191-V194 PolarHBondContact O-N 2.94Å; V194-A196 VanDerWaalsContact C-N 3.28Å; V194-A196 PolarHBondContact O-N 2.81Å; V194-V197 PolarHBondContact O-N 3.21Å; V194-S198 PolarHBondContact O-N 2.9Å; V194-S198 PolarHBondContact O-OG 3.43Å
195	K	86.9	Confident	86.3	Confident	70 Å²	70	64.8 Å²	64.8	30%	0.304	33%	0.332	S	S	.	.	H	α-helix	trans	-70.5	-17.1	173.8	-68.9	176.9	-175.9	179.9	0	113.6	E191 C192 K193 S198 R199	E191-K195 WeakPolarHBondContact O-CB 3.22Å; E191-K195 VanDerWaalsContact O-CG 3.28Å; E191-K195 WeakPolarHBondContact O-CG 3.33Å; E191-K195 PolarHBondContact O-N 3.43Å; C192-K195 PolarHBondContact O-N 2.93Å; K193-K195 VanDerWaalsContact C-N 3.27Å; K193-K195 PolarHBondContact O-N 3.41Å; K195-S198 PolarHBondContact O-OG 2.76Å; K195-R199 VanDerWaalsContact O-CG 3.22Å; K195-R199 WeakPolarHBondContact O-CG 3.5Å; K195-R199 PolarHBondContact O-N 3.1Å; K195-R199 PolarHBondContact O-NE 3.06Å; K195-R199 PolarHBondContact O-NH1 3.18Å; K195-R199 PolarHBondContact O-NH2 3.23Å
196	A	86.4	Confident	85.3	Confident	4 Å²	4	70.8 Å²	70.8	3%	0.033	36%	0.362	C	S	.	.	H	α-helix	trans	-75.4	-51.7	171.4	0	0	0	0	0	111	T169 C192 K193 V194 S198 R199 E200	T169-A196 WeakPolarHBondContact O-CB 3.35Å; C192-A196 PolarHBondContact O-N 3.06Å; K193-A196 WeakPolarHBondContact O-CA 3.48Å; K193-A196 VanDerWaalsContact O-CB 3.28Å; K193-A196 WeakPolarHBondContact O-CB 3.36Å; K193-A196 PolarHBondContact O-N 2.72Å; V194-A196 VanDerWaalsContact C-N 3.28Å; V194-A196 PolarHBondContact O-N 2.81Å; A196-S198 VanDerWaalsContact C-N 3.28Å; A196-S198 PolarHBondContact O-N 2.93Å; A196-R199 WeakPolarHBondContact O-CB 3.46Å; A196-R199 PolarHBondContact O-N 2.73Å; A196-E200 WeakPolarHBondContact O-CG 3.45Å; A196-E200 PolarHBondContact O-N 3.3Å
197	V	88.7	Confident	84.2	Confident	96 Å²	96	74.7 Å²	74.7	58%	0.582	38%	0.377	S	S	*	.	H	α-helix	trans	-57.8	-40.6	179.9	178.9	0	0	0	0	111.5	K193 V194 E200 K201	K193-V197 PolarHBondContact O-N 2.62Å; K193-V197 VanDerWaalsContact O-N 3.15Å; V194-V197 PolarHBondContact O-N 3.21Å; V197-E200 PolarHBondContact O-N 3.06Å; V197-K201 PolarHBondContact O-N 2.86Å; V197-K201 VanDerWaalsContact O-N 3.08Å
198	S	85.5	Confident	83.1	Confident	56 Å²	56	78.5 Å²	78.5	39%	0.392	40%	0.401	S	S	.	.	H	α-helix	trans	-68.6	-33	176.7	67.4	0	0	0	0	113.5	V194 K195 A196 Q202	V194-S198 PolarHBondContact O-N 2.9Å; V194-S198 PolarHBondContact O-OG 3.43Å; K195-S198 PolarHBondContact O-OG 2.76Å; A196-S198 VanDerWaalsContact C-N 3.28Å; A196-S198 PolarHBondContact O-N 2.93Å; S198-Q202 VanDerWaalsContact O-CG 3.28Å; S198-Q202 WeakPolarHBondContact O-CG 3.5Å; S198-Q202 PolarHBondContact O-N 3.28Å
199	R	84.2	Confident	81.7	Confident	27 Å²	27	81.9 Å²	81.9	10%	0.102	41%	0.411	C	S	.	.	H	α-helix	trans	-69.8	-40.9	172.9	-74.9	-178.9	-62.2	-110.5	3.7	111.9	T169 K195 A196 Q202 E203	T169-R199 PolarHBondContact O-NH2 2.86Å; K195-R199 VanDerWaalsContact O-CG 3.22Å; K195-R199 WeakPolarHBondContact O-CG 3.5Å; K195-R199 PolarHBondContact O-N 3.1Å; K195-R199 PolarHBondContact O-NE 3.06Å; K195-R199 PolarHBondContact O-NH1 3.18Å; K195-R199 PolarHBondContact O-NH2 3.23Å; A196-R199 WeakPolarHBondContact O-CB 3.46Å; A196-R199 PolarHBondContact O-N 2.73Å; R199-Q202 PolarHBondContact O-N 3.01Å; R199-E203 WeakPolarHBondContact O-CG 3.42Å; R199-E203 PolarHBondContact O-N 3.39Å
200	E	84.2	Confident	80	Confident	78 Å²	78	86.6 Å²	86.6	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-65.1	-48.4	-178.8	-74.5	164.6	174.3	0	0	110.8	K171 A196 V197 Q202 E203 E204	K171-E200 WeakPolarHBondContact CE-OE1 3.49Å; K171-E200 IonicContact NZ-OE1 2.68Å; A196-E200 WeakPolarHBondContact O-CG 3.45Å; A196-E200 PolarHBondContact O-N 3.3Å; V197-E200 PolarHBondContact O-N 3.06Å; E200-Q202 PolarHBondContact O-N 2.64Å; E200-E203 PolarHBondContact O-N 2.66Å; E200-E204 PolarHBondContact O-N 2.76Å
201	K	86.1	Confident	78.2	Confident	128 Å²	128	90.7 Å²	90.7	56%	0.557	45%	0.449	S	S	*	.	H	α-helix	trans	-56	-45.5	173	179.6	170.4	173.3	172.6	0	112.8	V197 E203 E204 E205	V197-K201 PolarHBondContact O-N 2.86Å; V197-K201 VanDerWaalsContact O-N 3.08Å; K201-E203 VanDerWaalsContact C-N 3.27Å; K201-E203 PolarHBondContact O-N 3.44Å; K201-E204 PolarHBondContact O-N 2.62Å; K201-E205 WeakPolarHBondContact CE-OE1 3.45Å; K201-E205 HydrophobicContact CG-CG 4.49Å; K201-E205 IonicContact NZ-OE1 3.93Å; K201-E205 WeakPolarHBondContact O-CB 3.18Å; K201-E205 WeakPolarHBondContact O-CG 3.4Å; K201-E205 PolarHBondContact O-N 2.94Å
202	Q	80.6	Confident	76.4	Confident	89 Å²	89	90.3 Å²	90.3	42%	0.416	47%	0.469	S	S	.	.	H	α-helix	trans	-60.6	-34.5	174.8	-76.5	174.5	7.1	0	0	113	S198 R199 E200 M206	S198-Q202 VanDerWaalsContact O-CG 3.28Å; S198-Q202 WeakPolarHBondContact O-CG 3.5Å; S198-Q202 PolarHBondContact O-N 3.28Å; R199-Q202 PolarHBondContact O-N 3.01Å; E200-Q202 PolarHBondContact O-N 2.64Å; Q202-M206 WeakPolarHBondContact O-CB 3.46Å; Q202-M206 WeakPolarHBondContact O-CG 3.47Å; Q202-M206 PolarHBondContact O-N 3.09Å; Q202-M206 VanDerWaalsContact O-N 3.09Å
203	E	78	Confident	74.7	Confident	51 Å²	51	97.2 Å²	97.2	24%	0.238	51%	0.505	C	S	.	.	H	α-helix	trans	-78.7	-26.7	-179.5	-73.4	178.7	-166.6	0	0	112.3	R199 E200 K201 K207 R286	R199-E203 WeakPolarHBondContact O-CG 3.42Å; R199-E203 PolarHBondContact O-N 3.39Å; E200-E203 PolarHBondContact O-N 2.66Å; K201-E203 VanDerWaalsContact C-N 3.27Å; K201-E203 PolarHBondContact O-N 3.44Å; E203-K207 VanDerWaalsContact O-CD 3.3Å; E203-K207 WeakPolarHBondContact O-CD 3.26Å; E203-K207 WeakPolarHBondContact O-CG 3.32Å; E203-K207 PolarHBondContact O-N 3.49Å; E203-R286 IonicContact OE1-CZ 3.92Å; E203-R286 IonicContact OE1-NE 3.46Å; E203-R286 IonicContact OE1-NH2 2.71Å; E203-R286 PolarHBondContact OE1-NH2 3.01Å
204	E	80.3	Confident	72.7	Confident	123 Å²	123	97.9 Å²	97.9	58%	0.575	52%	0.523	S	S	*	.	H	α-helix	trans	-72.6	-44.4	168.5	-68.2	176.5	164.2	0	0	112	E200 K201 M206 K207 T208	E200-E204 PolarHBondContact O-N 2.76Å; K201-E204 PolarHBondContact O-N 2.62Å; E204-M206 PolarHBondContact O-N 3.49Å; E204-K207 PolarHBondContact O-N 3.33Å; E204-T208 WeakPolarHBondContact O-CG2 3.33Å; E204-T208 PolarHBondContact O-N 2.68Å; E204-T208 PolarHBondContact O-OG1 3.43Å
205	E	76.6	Confident	71.2	Confident	93 Å²	93	104 Å²	104	44%	0.435	54%	0.535	S	S	.	.	H	α-helix	trans	-61.6	-24.1	172.7	-73.3	173.6	-177	0	0	113.1	K201 T208 Q209	K201-E205 WeakPolarHBondContact CE-OE1 3.45Å; K201-E205 HydrophobicContact CG-CG 4.49Å; K201-E205 IonicContact NZ-OE1 3.93Å; K201-E205 WeakPolarHBondContact O-CB 3.18Å; K201-E205 WeakPolarHBondContact O-CG 3.4Å; K201-E205 PolarHBondContact O-N 2.94Å; E205-T208 PolarHBondContact O-OG1 3.06Å; E205-Q209 WeakPolarHBondContact O-CG 3.34Å; E205-Q209 PolarHBondContact O-NE2 3.42Å
206	M	67.9	Low	69.5	Low	133 Å²	133	109.4 Å²	109.4	66%	0.655	56%	0.561	S	S	*	*	H	α-helix	trans	-83.6	-44.3	171.3	-77.6	-173.2	69.3	0	0	113	Q202 E204 T208 Q209	Q202-M206 WeakPolarHBondContact O-CB 3.46Å; Q202-M206 WeakPolarHBondContact O-CG 3.47Å; Q202-M206 PolarHBondContact O-N 3.09Å; Q202-M206 VanDerWaalsContact O-N 3.09Å; E204-M206 PolarHBondContact O-N 3.49Å; M206-T208 PolarHBondContact O-N 3.04Å; M206-Q209 PolarHBondContact O-N 3.48Å; M206-Q209 VanDerWaalsContact O-N 3.17Å
207	K	67.6	Low	67.8	Low	130 Å²	130	113 Å²	113	57%	0.565	59%	0.59	S	S	*	*	H	α-helix	trans	-61	-45.3	-180	-73.9	160.3	-168.2	164.3	0	111.9	E203 E204 Q209 D210	E203-K207 VanDerWaalsContact O-CD 3.3Å; E203-K207 WeakPolarHBondContact O-CD 3.26Å; E203-K207 WeakPolarHBondContact O-CG 3.32Å; E203-K207 PolarHBondContact O-N 3.49Å; E204-K207 PolarHBondContact O-N 3.33Å; K207-Q209 PolarHBondContact O-N 3.36Å; K207-D210 PolarHBondContact O-N 2.79Å
208	T	65.5	Low	66.1	Low	105 Å²	105	115.5 Å²	115.5	64%	0.644	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-12.9	177.9	49	0	0	0	0	114.1	E204 E205 M206	E204-T208 WeakPolarHBondContact O-CG2 3.33Å; E204-T208 PolarHBondContact O-N 2.68Å; E204-T208 PolarHBondContact O-OG1 3.43Å; E205-T208 PolarHBondContact O-OG1 3.06Å; M206-T208 PolarHBondContact O-N 3.04Å
209	Q	59.8	Low	64.5	Low	122 Å²	122	121.9 Å²	121.9	57%	0.57	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-3.5	174	-68.7	-177.1	42.5	0	0	114.6	E205 M206 K207	E205-Q209 WeakPolarHBondContact O-CG 3.34Å; E205-Q209 PolarHBondContact O-NE2 3.42Å; M206-Q209 PolarHBondContact O-N 3.48Å; M206-Q209 VanDerWaalsContact O-N 3.17Å; K207-Q209 PolarHBondContact O-N 3.36Å
210	D	54.5	Low	63.2	Low	123 Å²	123	128.7 Å²	128.7	66%	0.658	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	-12.2	-170.5	-146.6	38.5	0	0	0	113.6	K207 G212 N213	K207-D210 PolarHBondContact O-N 2.79Å; D210-G212 PolarHBondContact O-N 2.88Å; D210-N213 PolarHBondContact O-N 2.65Å
211	E	50.8	Low	62.2	Low	178 Å²	178	132.6 Å²	132.6	83%	0.832	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-8	179.9	-60.3	-161.8	130.7	0	0	114.7
212	G	51.7	Low	61.2	Low	79 Å²	79	132.5 Å²	132.5	81%	0.814	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-9.5	-179.9	0	0	0	0	0	116.3	D210	D210-G212 PolarHBondContact O-N 2.88Å
213	N	52.4	Low	60.6	Low	146 Å²	146	132.2 Å²	132.2	78%	0.781	69%	0.689	S	S	*	*			trans	-121.8	102.6	-165.8	-134.5	21.4	0	0	0	113.5	D210	D210-N213 PolarHBondContact O-N 2.65Å
214	S	48.2	Very low	60.7	Low	119 Å²	119	132.4 Å²	132.4	83%	0.832	69%	0.693	S	S	*	*			trans	-71.9	157.5	-178.6	-165.7	0	0	0	0	113.5	H216	S214-H216 PolarHBondContact O-N 3.42Å
215	R	59.8	Low	60.5	Low	233 Å²	233	131.4 Å²	131.4	88%	0.879	70%	0.698	S	S	*	*			trans	-68.4	123.6	-167.2	-59.8	170.4	-179.6	160	-0.4	112.7
216	H	51.3	Low	60.6	Low	185 Å²	185	133.3 Å²	133.3	86%	0.856	70%	0.704	S	S	*	*			trans	-146.9	169.7	160.1	-119.9	57.1	0	0	0	114.9	S214	S214-H216 PolarHBondContact O-N 3.42Å
217	A	50.7	Low	61	Low	79 Å²	79	132.2 Å²	132.2	65%	0.653	70%	0.698	S	S	*	*			trans	-70.4	150.6	-150.9	0	0	0	0	0	117.1	R219	A217-R219 PolarHBondContact O-N 2.67Å
218	T	53.2	Low	61.5	Low	148 Å²	148	128.5 Å²	128.5	91%	0.908	69%	0.688	S	S	*	*			trans	-84.9	79.4	-175.1	39.2	0	0	0	0	113.9
219	R	52.5	Low	62.4	Low	191 Å²	191	132.6 Å²	132.6	72%	0.721	69%	0.692	S	S	*	*	S	Bend	trans	-150.6	127.4	159	-141.1	178.3	171.3	164.1	-2.2	113.8	A217 Q221	A217-R219 PolarHBondContact O-N 2.67Å; R219-Q221 PolarHBondContact O-N 3.22Å
220	H	56.5	Low	63.4	Low	170 Å²	170	133 Å²	133	79%	0.787	69%	0.689	S	S	*	*			trans	40.3	62.2	168	-55	-53.8	0	0	0	117.8
221	Q	63.6	Low	64.8	Low	159 Å²	159	134.6 Å²	134.6	74%	0.743	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-84.6	142.4	158.9	-66.5	-174.1	8	0	0	110.8	R219	R219-Q221 PolarHBondContact O-N 3.22Å
222	T	64.2	Low	66.4	Low	126 Å²	126	132.3 Å²	132.3	77%	0.773	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-68	146.3	166.7	26.7	0	0	0	0	110.4	T224	T222-T224 PolarHBondContact O-N 3.21Å
223	P	68.6	Low	67.9	Low	84 Å²	84	134.2 Å²	134.2	55%	0.545	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-59.8	128.8	-179.3	-23.4	34	0	0	0	111.7	Q227	P223-Q227 HydrophobicContact CB-CB 4.41Å
224	T	78.6	Confident	69.4	Low	54 Å²	54	127.8 Å²	127.8	33%	0.331	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-64	159.6	-178.9	68.8	0	0	0	0	111.3	T222 K226 Q227 S228	T222-T224 PolarHBondContact O-N 3.21Å; T224-K226 PolarHBondContact O-N 2.86Å; T224-Q227 PolarHBondContact O-N 3.06Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.47Å; T224-Q227 PolarHBondContact OG1-N 3.04Å; T224-S228 PolarHBondContact O-N 3.32Å; T224-S228 PolarHBondContact O-OG 2.97Å
225	P	77.9	Confident	71.1	Confident	103 Å²	103	124.4 Å²	124.4	67%	0.669	61%	0.612	S	S	*	*	H	α-helix	trans	-55.6	-35.2	175.8	-28.2	36.5	0	0	0	113.2	S228 R229	P225-S228 PolarHBondContact O-N 2.93Å; P225-R229 WeakPolarHBondContact O-CG 3.21Å; P225-R229 PolarHBondContact O-N 3.05Å
226	K	78.1	Confident	72.2	Confident	132 Å²	132	117.9 Å²	117.9	57%	0.574	59%	0.592	S	S	*	*	H	α-helix	trans	-64.2	-47.4	173.8	-169.3	177.3	-177.5	-179.4	0	111.5	T224 S228 Y230	T224-K226 PolarHBondContact O-N 2.86Å; K226-S228 VanDerWaalsContact C-N 3.34Å; K226-S228 PolarHBondContact O-N 3.22Å; K226-Y230 WeakPolarHBondContact O-CB 3.13Å; K226-Y230 PolarHBondContact O-N 3.3Å
227	Q	75.4	Confident	73.6	Confident	110 Å²	110	112.8 Å²	112.8	51%	0.514	57%	0.569	S	S	.	*	H	α-helix	trans	-64.4	-37	176.4	-71.1	167.3	-7.7	0	0	112.5	P223 T224 K231	P223-Q227 HydrophobicContact CB-CB 4.41Å; T224-Q227 PolarHBondContact O-N 3.06Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.47Å; T224-Q227 PolarHBondContact OG1-N 3.04Å; Q227-K231 VanDerWaalsContact O-CB 3.27Å; Q227-K231 WeakPolarHBondContact O-CB 3.31Å; Q227-K231 PolarHBondContact O-N 2.76Å
228	S	79.6	Confident	75	Confident	52 Å²	52	114.2 Å²	114.2	36%	0.364	56%	0.558	S	S	.	*	H	α-helix	trans	-68	-46.5	178.9	-63.6	0	0	0	0	111.8	T224 P225 K226 K231 E232	T224-S228 PolarHBondContact O-N 3.32Å; T224-S228 PolarHBondContact O-OG 2.97Å; P225-S228 PolarHBondContact O-N 2.93Å; K226-S228 VanDerWaalsContact C-N 3.34Å; K226-S228 PolarHBondContact O-N 3.22Å; S228-K231 PolarHBondContact O-N 3.19Å; S228-E232 PolarHBondContact O-N 3.2Å
229	R	83.3	Confident	76.1	Confident	191 Å²	191	113.9 Å²	113.9	72%	0.721	54%	0.544	S	S	*	.	H	α-helix	trans	-61.3	-43.1	173.3	-72.7	178.8	179.3	-174.8	0.2	112.3	P225 K231 E232 Q233	P225-R229 WeakPolarHBondContact O-CG 3.21Å; P225-R229 PolarHBondContact O-N 3.05Å; R229-K231 PolarHBondContact O-N 3.41Å; R229-E232 PolarHBondContact O-N 3.3Å; R229-Q233 WeakPolarHBondContact O-CB 3.26Å; R229-Q233 PolarHBondContact O-N 3.21Å
230	Y	81.1	Confident	76.7	Confident	130 Å²	130	107.1 Å²	107.1	51%	0.51	53%	0.533	S	S	.	.	H	α-helix	trans	-62.3	-42.5	176.3	178.4	-105.7	0	0	0	112.4	K226 E232 Q233 V234 Y275	K226-Y230 WeakPolarHBondContact O-CB 3.13Å; K226-Y230 PolarHBondContact O-N 3.3Å; Y230-E232 VanDerWaalsContact C-N 3.29Å; Y230-E232 PolarHBondContact O-N 3.27Å; Y230-Q233 PolarHBondContact O-N 2.8Å; Y230-V234 HydrophobicContact CD1-CG2 4.35Å; Y230-V234 HydrophobicContact CD2-CG2 4.42Å; Y230-V234 HydrophobicContact CE1-CG2 3.94Å; Y230-V234 HydrophobicContact CE2-CG2 4.01Å; Y230-V234 WeakPolarHBondContact O-CB 3.5Å; Y230-V234 VanDerWaalsContact O-CG2 3.31Å; Y230-V234 WeakPolarHBondContact O-CG2 3.38Å; Y230-V234 PolarHBondContact O-N 2.93Å; Y230-Y275 PolarHBondContact OH-OH 2.91Å
231	K	82.8	Confident	76.9	Confident	158 Å²	158	109.8 Å²	109.8	69%	0.687	54%	0.536	S	S	*	.	H	α-helix	trans	-61.4	-36	175.1	175.3	-170.1	168.5	-160.7	0	112.5	Q227 S228 R229 A235	Q227-K231 VanDerWaalsContact O-CB 3.27Å; Q227-K231 WeakPolarHBondContact O-CB 3.31Å; Q227-K231 PolarHBondContact O-N 2.76Å; S228-K231 PolarHBondContact O-N 3.19Å; R229-K231 PolarHBondContact O-N 3.41Å; K231-A235 PolarHBondContact O-N 3.02Å; K231-A235 VanDerWaalsContact O-N 3.07Å
232	E	84.6	Confident	76.8	Confident	129 Å²	129	104.9 Å²	104.9	60%	0.603	52%	0.515	S	S	*	.	H	α-helix	trans	-71.4	-45.8	175.8	-173.2	163.2	-134.3	0	0	111.5	S228 R229 Y230 V234 A235 E236	S228-E232 PolarHBondContact O-N 3.2Å; R229-E232 PolarHBondContact O-N 3.3Å; Y230-E232 VanDerWaalsContact C-N 3.29Å; Y230-E232 PolarHBondContact O-N 3.27Å; E232-V234 VanDerWaalsContact C-N 3.31Å; E232-V234 PolarHBondContact O-N 3.27Å; E232-A235 WeakPolarHBondContact O-CA 3.49Å; E232-A235 VanDerWaalsContact O-CB 3.3Å; E232-A235 WeakPolarHBondContact O-CB 3.23Å; E232-A235 PolarHBondContact O-N 3.1Å; E232-E236 PolarHBondContact O-N 3.1Å
233	Q	84.4	Confident	76.6	Confident	119 Å²	119	103.2 Å²	103.2	56%	0.556	51%	0.508	S	S	*	.	H	α-helix	trans	-56.4	-43.1	172.4	-169.1	-177	11.2	0	0	112.1	R229 Y230 A235 E236 M237	R229-Q233 WeakPolarHBondContact O-CB 3.26Å; R229-Q233 PolarHBondContact O-N 3.21Å; Y230-Q233 PolarHBondContact O-N 2.8Å; Q233-A235 VanDerWaalsContact C-N 3.28Å; Q233-A235 PolarHBondContact O-N 3.17Å; Q233-E236 PolarHBondContact O-N 3.47Å; Q233-M237 HydrophobicContact CG-CE 4.24Å; Q233-M237 WeakPolarHBondContact O-CG 3.41Å; Q233-M237 PolarHBondContact O-N 2.98Å
234	V	83.3	Confident	76.3	Confident	12 Å²	12	102.6 Å²	102.6	7%	0.073	52%	0.518	C	S	.	.	H	α-helix	trans	-67.9	-25.9	174.1	170.2	0	0	0	0	112.6	Y230 E232 M237 R238 Y275	Y230-V234 HydrophobicContact CD1-CG2 4.35Å; Y230-V234 HydrophobicContact CD2-CG2 4.42Å; Y230-V234 HydrophobicContact CE1-CG2 3.94Å; Y230-V234 HydrophobicContact CE2-CG2 4.01Å; Y230-V234 WeakPolarHBondContact O-CB 3.5Å; Y230-V234 VanDerWaalsContact O-CG2 3.31Å; Y230-V234 WeakPolarHBondContact O-CG2 3.38Å; Y230-V234 PolarHBondContact O-N 2.93Å; E232-V234 VanDerWaalsContact C-N 3.31Å; E232-V234 PolarHBondContact O-N 3.27Å; V234-M237 HydrophobicContact CB-CE 4.32Å; V234-M237 HydrophobicContact CG2-CE 3.73Å; V234-R238 WeakPolarHBondContact O-CB 3.42Å; V234-R238 WeakPolarHBondContact O-CG 3.34Å; V234-R238 PolarHBondContact O-N 3.21Å; V234-Y275 HydrophobicContact CG1-CD1 4.41Å; V234-Y275 HydrophobicContact CG1-CE1 3.7Å; V234-Y275 HydrophobicContact CG2-CE1 4.43Å; V234-Y275 HydrophobicContact CG2-CE2 4.07Å
235	A	83.1	Confident	75.7	Confident	47 Å²	47	101.7 Å²	101.7	39%	0.388	51%	0.51	S	S	.	.	H	α-helix	trans	-73.2	-42.1	172.1	0	0	0	0	0	111.4	K231 E232 Q233 R238 K239	K231-A235 PolarHBondContact O-N 3.02Å; K231-A235 VanDerWaalsContact O-N 3.07Å; E232-A235 WeakPolarHBondContact O-CA 3.49Å; E232-A235 VanDerWaalsContact O-CB 3.3Å; E232-A235 WeakPolarHBondContact O-CB 3.23Å; E232-A235 PolarHBondContact O-N 3.1Å; Q233-A235 VanDerWaalsContact C-N 3.28Å; Q233-A235 PolarHBondContact O-N 3.17Å; A235-R238 PolarHBondContact O-N 2.75Å; A235-K239 PolarHBondContact O-N 3.44Å; A235-K239 VanDerWaalsContact O-N 3.13Å
236	E	84.1	Confident	75.6	Confident	96 Å²	96	102.3 Å²	102.3	45%	0.449	50%	0.504	S	S	.	.	H	α-helix	trans	-63.1	-47.5	174.3	-62.7	-48.3	131.7	0	0	112.1	E232 Q233 R238 K239	E232-E236 PolarHBondContact O-N 3.1Å; Q233-E236 PolarHBondContact O-N 3.47Å; E236-R238 PolarHBondContact O-N 2.88Å; E236-K239 WeakPolarHBondContact O-CB 3.26Å; E236-K239 PolarHBondContact O-N 3Å; E236-K239 WeakPolarHBondContact OE1-CE 3.4Å; E236-K239 IonicContact OE1-NZ 3.77Å; E236-K239 PolarHBondContact OE1-NZ 3.13Å; E236-K239 WeakPolarHBondContact OE2-CD 3.44Å; E236-K239 WeakPolarHBondContact OE2-CE 3.26Å; E236-K239 IonicContact OE2-NZ 2.68Å; E236-K239 PolarHBondContact OE2-NZ 2.84Å
237	M	81.1	Confident	75.7	Confident	78 Å²	78	103.2 Å²	103.2	38%	0.384	51%	0.509	S	S	.	.	H	α-helix	trans	-57.9	-25.2	176.6	-69.7	-174.4	-64.7	0	0	113	Q233 V234 Y275	Q233-M237 HydrophobicContact CG-CE 4.24Å; Q233-M237 WeakPolarHBondContact O-CG 3.41Å; Q233-M237 PolarHBondContact O-N 2.98Å; V234-M237 HydrophobicContact CB-CE 4.32Å; V234-M237 HydrophobicContact CG2-CE 3.73Å; M237-Y275 HydrophobicContact CB-CD2 4.39Å; M237-Y275 HydrophobicContact CB-CG 4.28Å; M237-Y275 HydrophobicContact CE-CD2 3.46Å; M237-Y275 VanDerWaalsContact CE-CD2 3.46Å; M237-Y275 HydrophobicContact CE-CE2 3.5Å; M237-Y275 HydrophobicContact CE-CG 4.33Å; M237-Y275 HydrophobicContact SD-CD2 3.85Å; M237-Y275 HydrophobicContact SD-CE2 4.43Å
238	R	80.1	Confident	75.8	Confident	110 Å²	110	103.2 Å²	103.2	42%	0.415	51%	0.508	S	S	.	.	H	α-helix	trans	-89.8	-13	174.7	-75	178.5	165.6	144.5	-2.5	115	V234 A235 E236 G240 Y275 D276	V234-R238 WeakPolarHBondContact O-CB 3.42Å; V234-R238 WeakPolarHBondContact O-CG 3.34Å; V234-R238 PolarHBondContact O-N 3.21Å; A235-R238 PolarHBondContact O-N 2.75Å; E236-R238 PolarHBondContact O-N 2.88Å; R238-G240 VanDerWaalsContact C-N 3.27Å; R238-Y275 HydrophobicContact CG-CD1 4.34Å; R238-D276 WeakPolarHBondContact CG-OD2 3.45Å; R238-D276 IonicContact CZ-OD1 2.71Å; R238-D276 IonicContact NE-OD1 2.73Å; R238-D276 PolarHBondContact NE-OD1 2.86Å; R238-D276 IonicContact NE-OD2 3.97Å; R238-D276 PolarHBondContact NE-OD2 3.39Å; R238-D276 IonicContact NH2-OD1 2.82Å; R238-D276 PolarHBondContact NH2-OD1 3.42Å
239	K	76.1	Confident	75.7	Confident	141 Å²	141	102.7 Å²	102.7	61%	0.613	50%	0.5	S	S	*	.	H	α-helix	trans	-73.3	-23.6	170.3	-71.4	-177.8	-163.3	163.1	0	111.9	A235 E236 R241	A235-K239 PolarHBondContact O-N 3.44Å; A235-K239 VanDerWaalsContact O-N 3.13Å; E236-K239 WeakPolarHBondContact O-CB 3.26Å; E236-K239 PolarHBondContact O-N 3Å; E236-K239 WeakPolarHBondContact OE1-CE 3.4Å; E236-K239 IonicContact OE1-NZ 3.77Å; E236-K239 PolarHBondContact OE1-NZ 3.13Å; E236-K239 WeakPolarHBondContact OE2-CD 3.44Å; E236-K239 WeakPolarHBondContact OE2-CE 3.26Å; E236-K239 IonicContact OE2-NZ 2.68Å; E236-K239 PolarHBondContact OE2-NZ 2.84Å; K239-R241 PolarHBondContact O-N 3.08Å
240	G	65.1	Low	75.6	Confident	48 Å²	48	99 Å²	99	50%	0.495	49%	0.489	S	S	.	.			trans	-63.5	72.8	167.2	0	0	0	0	0	112	R238 N242	R238-G240 VanDerWaalsContact C-N 3.27Å; G240-N242 PolarHBondContact O-N 2.89Å
241	R	61.2	Low	75.8	Confident	227 Å²	227	97.3 Å²	97.3	86%	0.857	49%	0.486	S	S	*	.			trans	-76.9	112.4	166.7	-87	-178.5	137.8	-171.4	-6.5	108.8	K239 S243	K239-R241 PolarHBondContact O-N 3.08Å; R241-S243 PolarHBondContact O-N 3.25Å
242	N	60.3	Low	75.9	Confident	56 Å²	56	94.6 Å²	94.6	30%	0.299	47%	0.474	S	S	.	.			trans	-49.2	131.3	157.7	-70.9	-45.4	0	0	0	108.9	G240 G244 T272 D274	G240-N242 PolarHBondContact O-N 2.89Å; N242-G244 PolarHBondContact O-N 3.38Å; N242-T272 PolarHBondContact ND2-O 2.87Å; N242-D274 PolarHBondContact ND2-OD1 3.37Å
243	S	59.4	Low	75.9	Confident	90 Å²	90	90.5 Å²	90.5	63%	0.629	46%	0.455	S	S	*	.			trans	-64.2	136.7	-179.8	49.8	0	0	0	0	109.4	R241 L245	R241-S243 PolarHBondContact O-N 3.25Å; S243-L245 PolarHBondContact O-N 3.13Å
244	G	62.3	Low	75.9	Confident	72 Å²	72	90.3 Å²	90.3	74%	0.742	46%	0.456	S	S	*	.	S	Bend	trans	-59.1	114.3	-162.4	0	0	0	0	0	113.5	N242	N242-G244 PolarHBondContact O-N 3.38Å
245	L	66	Low	76.1	Confident	34 Å²	34	95.5 Å²	95.5	18%	0.178	48%	0.479	C	S	.	.			trans	3	111	-173.9	-65	176.8	0	0	0	115.6	S243 Q249 K250 N270	S243-L245 PolarHBondContact O-N 3.13Å; L245-Q249 HydrophobicContact CB-CB 4.49Å; L245-Q249 HydrophobicContact CD2-CB 4.17Å; L245-K250 HydrophobicContact CB-CD 4.49Å; L245-K250 HydrophobicContact CB-CG 3.83Å; L245-K250 WeakPolarHBondContact O-CE 3.36Å; L245-K250 PolarHBondContact O-NZ 3.38Å; L245-N270 HydrophobicContact CD2-CB 3.63Å
246	Q	77.3	Confident	76.3	Confident	116 Å²	116	94.4 Å²	94.4	54%	0.542	47%	0.466	S	S	.	.			trans	-58.6	160.4	174.9	-56.7	-171.7	19.8	0	0	111.5	E248 Q249 K250	Q246-E248 VanDerWaalsContact C-N 3.31Å; Q246-E248 PolarHBondContact O-N 3.01Å; Q246-Q249 HydrophobicContact CB-CG 4.27Å; Q246-Q249 WeakPolarHBondContact O-CB 3.4Å; Q246-Q249 PolarHBondContact O-N 3.22Å; Q246-K250 PolarHBondContact O-N 2.96Å
247	K	79.2	Confident	76.4	Confident	152 Å²	152	98.4 Å²	98.4	66%	0.661	48%	0.477	S	S	*	.	H	α-helix	trans	-54.7	-48.3	-176.6	-170.7	-177.7	178.5	-89.6	0	111.7	Q249 K250 E251	K247-Q249 VanDerWaalsContact C-N 3.32Å; K247-Q249 PolarHBondContact O-N 2.82Å; K247-K250 WeakPolarHBondContact O-CB 3.41Å; K247-K250 PolarHBondContact O-N 3.1Å; K247-K250 VanDerWaalsContact O-N 3.15Å; K247-E251 WeakPolarHBondContact CE-OE1 3.3Å; K247-E251 IonicContact NZ-OE1 3.18Å; K247-E251 PolarHBondContact NZ-OE1 3.04Å; K247-E251 IonicContact NZ-OE2 3.02Å; K247-E251 WeakPolarHBondContact O-CG 3.32Å; K247-E251 PolarHBondContact O-N 3.15Å
248	E	78.6	Confident	76.6	Confident	109 Å²	109	102 Å²	102	51%	0.509	49%	0.493	S	S	.	.	H	α-helix	trans	-60.6	-37.2	177.3	-166.9	-166.1	143.4	0	0	112.9	Q246 E251 K252	Q246-E248 VanDerWaalsContact C-N 3.31Å; Q246-E248 PolarHBondContact O-N 3.01Å; E248-E251 PolarHBondContact O-N 3.46Å; E248-K252 WeakPolarHBondContact O-CG 3.39Å; E248-K252 PolarHBondContact O-N 3.31Å; E248-K252 VanDerWaalsContact OE1-CE 3.28Å; E248-K252 WeakPolarHBondContact OE1-CE 3.5Å; E248-K252 IonicContact OE1-NZ 3.42Å; E248-K252 PolarHBondContact OE1-NZ 3.21Å
249	Q	77.1	Confident	76.8	Confident	42 Å²	42	101.1 Å²	101.1	20%	0.196	50%	0.499	C	S	.	.	H	α-helix	trans	-68.5	-40.4	175.8	-66.3	173.3	-39.4	0	0	111.3	L245 Q246 K247 E251 K252 H253 N270	L245-Q249 HydrophobicContact CB-CB 4.49Å; L245-Q249 HydrophobicContact CD2-CB 4.17Å; Q246-Q249 HydrophobicContact CB-CG 4.27Å; Q246-Q249 WeakPolarHBondContact O-CB 3.4Å; Q246-Q249 PolarHBondContact O-N 3.22Å; K247-Q249 VanDerWaalsContact C-N 3.32Å; K247-Q249 PolarHBondContact O-N 2.82Å; Q249-E251 VanDerWaalsContact C-N 3.29Å; Q249-E251 PolarHBondContact O-N 3.21Å; Q249-K252 PolarHBondContact O-N 2.86Å; Q249-H253 PolarHBondContact O-CD2 3.13Å; Q249-H253 PolarHBondContact O-N 3.35Å; Q249-N270 PolarHBondContact NE2-ND2 3.36Å
250	K	80.5	Confident	77.1	Confident	113 Å²	113	98.4 Å²	98.4	49%	0.491	49%	0.486	S	S	.	.	H	α-helix	trans	-63	-37.6	174.1	-69.7	171.1	172.1	129.4	0	111.8	L245 Q246 K247 H253 M254	L245-K250 HydrophobicContact CB-CD 4.49Å; L245-K250 HydrophobicContact CB-CG 3.83Å; L245-K250 WeakPolarHBondContact O-CE 3.36Å; L245-K250 PolarHBondContact O-NZ 3.38Å; Q246-K250 PolarHBondContact O-N 2.96Å; K247-K250 WeakPolarHBondContact O-CB 3.41Å; K247-K250 PolarHBondContact O-N 3.1Å; K247-K250 VanDerWaalsContact O-N 3.15Å; K250-H253 PolarHBondContact O-N 3.05Å; K250-M254 VanDerWaalsContact O-CG 3.3Å; K250-M254 WeakPolarHBondContact O-CG 3.47Å; K250-M254 PolarHBondContact O-N 2.91Å
251	E	85.1	Confident	78	Confident	94 Å²	94	97.8 Å²	97.8	44%	0.439	48%	0.48	S	S	.	.	H	α-helix	trans	-64.6	-47.7	175.5	-72.9	160.4	169.5	0	0	110.8	K247 E248 Q249 H253 M254 E255	K247-E251 WeakPolarHBondContact CE-OE1 3.3Å; K247-E251 IonicContact NZ-OE1 3.18Å; K247-E251 PolarHBondContact NZ-OE1 3.04Å; K247-E251 IonicContact NZ-OE2 3.02Å; K247-E251 WeakPolarHBondContact O-CG 3.32Å; K247-E251 PolarHBondContact O-N 3.15Å; E248-E251 PolarHBondContact O-N 3.46Å; Q249-E251 VanDerWaalsContact C-N 3.29Å; Q249-E251 PolarHBondContact O-N 3.21Å; E251-H253 PolarHBondContact O-N 2.91Å; E251-M254 WeakPolarHBondContact O-CB 3.41Å; E251-M254 PolarHBondContact O-N 2.83Å; E251-M254 VanDerWaalsContact O-N 3.11Å; E251-E255 WeakPolarHBondContact O-CB 3.49Å; E251-E255 PolarHBondContact O-N 2.93Å
252	K	84.6	Confident	78.9	Confident	101 Å²	101	94.1 Å²	94.1	44%	0.439	48%	0.477	S	S	.	.	H	α-helix	trans	-60.2	-38.2	173.9	-70.5	171.6	-173.9	174.4	0	113.7	E248 Q249 H256	E248-K252 WeakPolarHBondContact O-CG 3.39Å; E248-K252 PolarHBondContact O-N 3.31Å; E248-K252 VanDerWaalsContact OE1-CE 3.28Å; E248-K252 WeakPolarHBondContact OE1-CE 3.5Å; E248-K252 IonicContact OE1-NZ 3.42Å; E248-K252 PolarHBondContact OE1-NZ 3.21Å; Q249-K252 PolarHBondContact O-N 2.86Å; K252-H256 WeakPolarHBondContact O-CB 3.47Å; K252-H256 PolarHBondContact O-N 2.91Å
253	H	85.1	Confident	79.9	Confident	44 Å²	44	94.4 Å²	94.4	20%	0.204	48%	0.481	C	S	.	.	H	α-helix	trans	-69.9	-32.3	175.4	-75.6	-135.7	0	0	0	112.4	Q249 K250 E251 R257 L267	Q249-H253 PolarHBondContact O-CD2 3.13Å; Q249-H253 PolarHBondContact O-N 3.35Å; K250-H253 PolarHBondContact O-N 3.05Å; E251-H253 PolarHBondContact O-N 2.91Å; H253-R257 WeakPolarHBondContact O-CB 3.32Å; H253-R257 PolarHBondContact O-N 3.44Å; H253-L267 PolarHBondContact CE1-O 3.46Å; H253-L267 PolarHBondContact ND1-O 3.21Å
254	M	85.1	Confident	81.1	Confident	114 Å²	114	93 Å²	93	56%	0.562	46%	0.462	S	S	*	.	H	α-helix	trans	-70.4	-44.8	173.1	-76.2	-79.7	-75.2	0	0	111.5	K250 E251 R257 Q258	K250-M254 VanDerWaalsContact O-CG 3.3Å; K250-M254 WeakPolarHBondContact O-CG 3.47Å; K250-M254 PolarHBondContact O-N 2.91Å; E251-M254 WeakPolarHBondContact O-CB 3.41Å; E251-M254 PolarHBondContact O-N 2.83Å; E251-M254 VanDerWaalsContact O-N 3.11Å; M254-R257 PolarHBondContact O-N 3.34Å; M254-Q258 WeakPolarHBondContact O-CG 3.45Å; M254-Q258 PolarHBondContact O-N 3.02Å
255	E	87.1	Confident	82.3	Confident	122 Å²	122	90.2 Å²	90.2	57%	0.57	43%	0.429	S	S	*	.	H	α-helix	trans	-62.5	-49.8	177.7	-176.2	-178.3	-167.3	0	0	111.7	E251 R257 Q258 T259	E251-E255 WeakPolarHBondContact O-CB 3.49Å; E251-E255 PolarHBondContact O-N 2.93Å; E255-R257 PolarHBondContact O-N 3.31Å; E255-Q258 PolarHBondContact O-N 2.72Å; E255-T259 PolarHBondContact O-N 3.2Å; E255-T259 PolarHBondContact O-OG1 3.18Å
256	H	87.4	Confident	83.3	Confident	24 Å²	24	92.6 Å²	92.6	11%	0.111	45%	0.447	C	S	.	.	H	α-helix	trans	-54.3	-42.9	175.9	179.7	-78.6	0	0	0	111.7	N186 K252 T259 Y260 R264 E265 L267	N186-H256 PolarHBondContact ND2-NE2 3.41Å; N186-H256 VanDerWaalsContact ND2-NE2 3.15Å; N186-H256 PolarHBondContact OD1-NE2 2.84Å; K252-H256 WeakPolarHBondContact O-CB 3.47Å; K252-H256 PolarHBondContact O-N 2.91Å; H256-T259 PolarHBondContact O-N 3.46Å; H256-Y260 AromaticContact CD2-CD2 3.69Å; H256-Y260 AromaticContact CG-CD2 3.98Å; H256-Y260 WeakPolarHBondContact O-CB 3.42Å; H256-Y260 WeakPolarHBondContact O-CD2 3.36Å; H256-Y260 PolarHBondContact O-N 2.88Å; H256-R264 VanDerWaalsContact CE1-CB 3.43Å; H256-R264 WeakPolarHBondContact CE1-CB 3.31Å; H256-E265 PolarHBondContact CE1-O 3.06Å; H256-L267 HydrophobicContact CB-CD1 4.01Å; H256-L267 HydrophobicContact CB-CG 4.28Å
257	R	85.8	Confident	83.8	Confident	180 Å²	180	89.1 Å²	89.1	68%	0.679	43%	0.432	S	S	*	.	H	α-helix	trans	-68.4	-32.5	177	-170.7	177.5	-177.5	-168.6	0.9	113.5	H253 M254 E255 G261	H253-R257 WeakPolarHBondContact O-CB 3.32Å; H253-R257 PolarHBondContact O-N 3.44Å; M254-R257 PolarHBondContact O-N 3.34Å; E255-R257 PolarHBondContact O-N 3.31Å; R257-G261 VanDerWaalsContact O-CA 3.25Å; R257-G261 WeakPolarHBondContact O-CA 3.47Å; R257-G261 PolarHBondContact O-N 2.91Å
258	Q	86.4	Confident	84.1	Confident	154 Å²	154	84 Å²	84	72%	0.72	41%	0.411	S	S	*	.	H	α-helix	trans	-72.2	-43.6	174.8	-72.6	172.9	29.4	0	0	111.5	M254 E255	M254-Q258 WeakPolarHBondContact O-CG 3.45Å; M254-Q258 PolarHBondContact O-N 3.02Å; E255-Q258 PolarHBondContact O-N 2.72Å
259	T	84.1	Confident	84.2	Confident	90 Å²	90	84.7 Å²	84.7	55%	0.552	42%	0.415	S	S	*	.	H	α-helix	trans	-74.8	-38.3	-176.4	-57.9	0	0	0	0	113.1	E255 H256	E255-T259 PolarHBondContact O-N 3.2Å; E255-T259 PolarHBondContact O-OG1 3.18Å; H256-T259 PolarHBondContact O-N 3.46Å
260	Y	81.3	Confident	84.3	Confident	84 Å²	84	84.9 Å²	84.9	33%	0.329	42%	0.417	S	S	.	.	H	α-helix	trans	-112.7	-15.2	-174	-57	-67.3	0	0	0	114.7	H256 N262 T263 R264	H256-Y260 AromaticContact CD2-CD2 3.69Å; H256-Y260 AromaticContact CG-CD2 3.98Å; H256-Y260 WeakPolarHBondContact O-CB 3.42Å; H256-Y260 WeakPolarHBondContact O-CD2 3.36Å; H256-Y260 PolarHBondContact O-N 2.88Å; Y260-N262 PolarHBondContact O-N 3.44Å; Y260-N262 VanDerWaalsContact O-N 3.12Å; Y260-T263 WeakPolarHBondContact O-CB 3.17Å; Y260-T263 PolarHBondContact O-N 2.97Å; Y260-T263 PolarHBondContact O-OG1 3Å; Y260-R264 HydrophobicContact CD1-CG 4.32Å; Y260-R264 HydrophobicContact CG-CG 4.24Å
261	G	84.3	Confident	84.3	Confident	35 Å²	35	84.5 Å²	84.5	36%	0.361	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	-115.4	177.6	0	0	0	0	0	112.9	R257	R257-G261 VanDerWaalsContact O-CA 3.25Å; R257-G261 WeakPolarHBondContact O-CA 3.47Å; R257-G261 PolarHBondContact O-N 2.91Å
262	N	79.2	Confident	84	Confident	151 Å²	151	83 Å²	83	81%	0.807	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	5.9	175.4	-64.1	-2.3	0	0	0	113	Y260 R264	Y260-N262 PolarHBondContact O-N 3.44Å; Y260-N262 VanDerWaalsContact O-N 3.12Å; N262-R264 VanDerWaalsContact C-N 3.32Å
263	T	82.5	Confident	83.9	Confident	61 Å²	61	78.5 Å²	78.5	37%	0.374	40%	0.398	S	S	.	.	S	Bend	trans	-83.8	-7.6	-175.5	68.2	0	0	0	0	113.9	P160 Y184 Y260	P160-T263 HydrophobicContact CG-CG2 4.08Å; Y184-T263 WeakPolarHBondContact CD2-O 3.09Å; Y260-T263 WeakPolarHBondContact O-CB 3.17Å; Y260-T263 PolarHBondContact O-N 2.97Å; Y260-T263 PolarHBondContact O-OG1 3Å
264	R	85.1	Confident	83.8	Confident	61 Å²	61	81.1 Å²	81.1	23%	0.23	41%	0.414	C	S	.	.	S	Bend	trans	-137.1	159	170.7	-64.4	-167.2	-174.8	-168.1	4.4	110.1	N186 H256 Y260 N262	N186-R264 WeakPolarHBondContact OD1-CD 3.46Å; H256-R264 VanDerWaalsContact CE1-CB 3.43Å; H256-R264 WeakPolarHBondContact CE1-CB 3.31Å; Y260-R264 HydrophobicContact CD1-CG 4.32Å; Y260-R264 HydrophobicContact CG-CG 4.24Å; N262-R264 VanDerWaalsContact C-N 3.32Å
265	E	86.5	Confident	83.8	Confident	13 Å²	13	78.3 Å²	78.3	6%	0.061	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-64	140.3	170.5	-170.5	-172	-112.2	0	0	110.7	Y184 H185 N186 H256 R281 Q284	Y184-E265 HydrophobicContact CD1-CB 4.24Å; Y184-E265 HydrophobicContact CE1-CB 3.91Å; Y184-E265 VanDerWaalsContact O-CB 3.29Å; Y184-E265 WeakPolarHBondContact O-CB 3.35Å; Y184-E265 PolarHBondContact O-N 3.39Å; H185-E265 IonicContact CE1-OE1 3.58Å; H185-E265 IonicContact CG-OE1 2.68Å; H185-E265 IonicContact ND1-OE1 3.57Å; H185-E265 PolarHBondContact ND1-OE1 3.29Å; H185-E265 IonicContact ND1-OE2 3.54Å; N186-E265 PolarHBondContact ND2-O 2.69Å; H256-E265 PolarHBondContact CE1-O 3.06Å; E265-R281 IonicContact OE1-NH1 3.64Å; E265-R281 PolarHBondContact OE1-NH1 3.18Å; E265-R281 IonicContact OE2-CZ 3.55Å; E265-R281 IonicContact OE2-NH1 2.65Å; E265-R281 PolarHBondContact OE2-NH1 3.32Å; E265-R281 IonicContact OE2-NH2 2.68Å; E265-R281 PolarHBondContact OE2-NH2 2.82Å; E265-Q284 PolarHBondContact OE1-NE2 2.98Å
266	P	87.9	Confident	83.7	Confident	85 Å²	85	74.5 Å²	74.5	55%	0.552	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-59.1	149.7	172.5	-23.7	34.2	0	0	0	112.6	L268	P266-L268 WeakPolarHBondContact O-CD2 3.17Å; P266-L268 WeakPolarHBondContact O-CG 3.42Å; P266-L268 PolarHBondContact O-N 2.92Å
267	L	87.1	Confident	83.7	Confident	43 Å²	43	74.9 Å²	74.9	23%	0.225	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-62.2	120.1	171.8	-59.1	178.9	0	0	0	110.2	H253 H256 I271	H253-L267 PolarHBondContact CE1-O 3.46Å; H253-L267 PolarHBondContact ND1-O 3.21Å; H256-L267 HydrophobicContact CB-CD1 4.01Å; H256-L267 HydrophobicContact CB-CG 4.28Å; L267-I271 WeakPolarHBondContact O-CD1 3.41Å
268	L	84.8	Confident	83.7	Confident	43 Å²	43	70.2 Å²	70.2	23%	0.225	37%	0.369	C	S	.	.			trans	-100.3	-8.9	-175.8	-56.7	-174.8	0	0	0	113.8	P266 L277 F280	P266-L268 WeakPolarHBondContact O-CD2 3.17Å; P266-L268 WeakPolarHBondContact O-CG 3.42Å; P266-L268 PolarHBondContact O-N 2.92Å; L268-L277 HydrophobicContact CB-CD1 3.67Å; L268-L277 HydrophobicContact CD1-CD1 4.34Å; L268-F280 HydrophobicContact CD1-CD1 3.93Å; L268-F280 HydrophobicContact CD1-CE1 3.54Å; L268-F280 HydrophobicContact CD1-CZ 4.42Å
269	E	81.8	Confident	83.8	Confident	124 Å²	124	66.9 Å²	66.9	58%	0.579	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	145.7	-179.9	-64.3	172.9	-164.9	0	0	111.4	I271 L277	E269-I271 PolarHBondContact O-N 2.9Å; E269-L277 HydrophobicContact CG-CD2 4.49Å
270	N	77.9	Confident	84	Confident	47 Å²	47	67.3 Å²	67.3	25%	0.251	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	4.8	177.3	-56.8	-87.8	0	0	0	116	L245 Q249	L245-N270 HydrophobicContact CD2-CB 3.63Å; Q249-N270 PolarHBondContact NE2-ND2 3.36Å
271	I	80.5	Confident	84.2	Confident	105 Å²	105	65.3 Å²	65.3	54%	0.538	34%	0.342	S	S	.	.	S	Bend	trans	-81.6	-29.4	173.8	-60.4	-174	0	0	0	111.7	L267 E269	L267-I271 WeakPolarHBondContact O-CD1 3.41Å; E269-I271 PolarHBondContact O-N 2.9Å
272	T	79.5	Confident	84.3	Confident	61 Å²	61	65.3 Å²	65.3	37%	0.374	33%	0.332	S	S	.	.	S	Bend	trans	-139.3	-176.3	-176.7	-170.1	0	0	0	0	111	N242 D276 L277	N242-T272 PolarHBondContact ND2-O 2.87Å; T272-D276 HydrophobicContact CG2-CB 4.16Å; T272-L277 HydrophobicContact CG2-CB 3.99Å
273	S	83.1	Confident	84.6	Confident	7 Å²	7	60.7 Å²	60.7	5%	0.049	32%	0.315	C	S	.	.			trans	-68.7	145.1	170.5	79.2	0	0	0	0	110.5	Y275 D276 L277	S273-Y275 PolarHBondContact O-N 3.1Å; S273-D276 PolarHBondContact O-N 3.44Å; S273-D276 WeakPolarHBondContact OG-CB 3.47Å; S273-D276 VanDerWaalsContact OG-CG 3.27Å; S273-D276 PolarHBondContact OG-N 2.99Å; S273-D276 PolarHBondContact OG-OD2 3.27Å; S273-L277 PolarHBondContact O-N 2.79Å
274	D	82.9	Confident	84.8	Confident	100 Å²	100	59.4 Å²	59.4	54%	0.535	31%	0.305	S	S	.	.	H	α-helix	trans	-61.3	-31.5	-177.3	-50	-25.3	0	0	0	111.5	N242 L277 E278	N242-D274 PolarHBondContact ND2-OD1 3.37Å; D274-L277 PolarHBondContact O-N 3.47Å; D274-E278 PolarHBondContact O-N 3.38Å
275	Y	84.6	Confident	84.8	Confident	55 Å²	55	56.7 Å²	56.7	22%	0.216	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-45.1	171.1	177.2	-89.1	0	0	0	112.7	Y230 V234 M237 R238 S273 L279	Y230-Y275 PolarHBondContact OH-OH 2.91Å; V234-Y275 HydrophobicContact CG1-CD1 4.41Å; V234-Y275 HydrophobicContact CG1-CE1 3.7Å; V234-Y275 HydrophobicContact CG2-CE1 4.43Å; V234-Y275 HydrophobicContact CG2-CE2 4.07Å; M237-Y275 HydrophobicContact CB-CD2 4.39Å; M237-Y275 HydrophobicContact CB-CG 4.28Å; M237-Y275 HydrophobicContact CE-CD2 3.46Å; M237-Y275 VanDerWaalsContact CE-CD2 3.46Å; M237-Y275 HydrophobicContact CE-CE2 3.5Å; M237-Y275 HydrophobicContact CE-CG 4.33Å; M237-Y275 HydrophobicContact SD-CD2 3.85Å; M237-Y275 HydrophobicContact SD-CE2 4.43Å; R238-Y275 HydrophobicContact CG-CD1 4.34Å; S273-Y275 PolarHBondContact O-N 3.1Å; Y275-L279 HydrophobicContact CE1-CD2 4.14Å; Y275-L279 WeakPolarHBondContact O-CB 3.24Å; Y275-L279 PolarHBondContact O-N 2.82Å
276	D	85.8	Confident	84.7	Confident	41 Å²	41	62 Å²	62	22%	0.219	32%	0.315	C	S	.	.	H	α-helix	trans	-71.9	-31.7	178.3	-71.7	-50.2	0	0	0	112.2	R238 T272 S273 F280	R238-D276 WeakPolarHBondContact CG-OD2 3.45Å; R238-D276 IonicContact CZ-OD1 2.71Å; R238-D276 IonicContact NE-OD1 2.73Å; R238-D276 PolarHBondContact NE-OD1 2.86Å; R238-D276 IonicContact NE-OD2 3.97Å; R238-D276 PolarHBondContact NE-OD2 3.39Å; R238-D276 IonicContact NH2-OD1 2.82Å; R238-D276 PolarHBondContact NH2-OD1 3.42Å; T272-D276 HydrophobicContact CG2-CB 4.16Å; S273-D276 PolarHBondContact O-N 3.44Å; S273-D276 WeakPolarHBondContact OG-CB 3.47Å; S273-D276 VanDerWaalsContact OG-CG 3.27Å; S273-D276 PolarHBondContact OG-N 2.99Å; S273-D276 PolarHBondContact OG-OD2 3.27Å; D276-F280 WeakPolarHBondContact O-CB 3.43Å; D276-F280 PolarHBondContact O-N 3.17Å
277	L	86.4	Confident	84.4	Confident	32 Å²	32	61 Å²	61	17%	0.168	31%	0.313	C	S	.	.	H	α-helix	trans	-67.3	-48.8	173.7	179.8	56.5	0	0	0	111.4	L268 E269 T272 S273 D274 F280 R281	L268-L277 HydrophobicContact CB-CD1 3.67Å; L268-L277 HydrophobicContact CD1-CD1 4.34Å; E269-L277 HydrophobicContact CG-CD2 4.49Å; T272-L277 HydrophobicContact CG2-CB 3.99Å; S273-L277 PolarHBondContact O-N 2.79Å; D274-L277 PolarHBondContact O-N 3.47Å; L277-F280 WeakPolarHBondContact O-CB 3.21Å; L277-F280 PolarHBondContact O-N 2.68Å; L277-R281 WeakPolarHBondContact O-CG 3.43Å; L277-R281 PolarHBondContact O-N 3.39Å
278	E	86.4	Confident	84.2	Confident	82 Å²	82	59.2 Å²	59.2	38%	0.383	30%	0.304	S	S	.	.	H	α-helix	trans	-68.4	-34.5	177.2	-176.5	53.5	-149.2	0	0	111.8	D274 F280 R281 K282	D274-E278 PolarHBondContact O-N 3.38Å; E278-F280 VanDerWaalsContact C-N 3.33Å; E278-F280 PolarHBondContact O-N 2.62Å; E278-R281 PolarHBondContact O-N 3.12Å; E278-K282 WeakPolarHBondContact O-CB 3.27Å; E278-K282 PolarHBondContact O-N 2.89Å
279	L	87.3	Confident	84.1	Confident	85 Å²	85	59.1 Å²	59.1	45%	0.445	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-41.9	170.6	179.4	61.2	0	0	0	111.7	Y275 K282 A283	Y275-L279 HydrophobicContact CE1-CD2 4.14Å; Y275-L279 WeakPolarHBondContact O-CB 3.24Å; Y275-L279 PolarHBondContact O-N 2.82Å; L279-K282 PolarHBondContact O-N 3.05Å; L279-A283 WeakPolarHBondContact O-CB 3.44Å; L279-A283 PolarHBondContact O-N 2.92Å
280	F	88.8	Confident	84	Confident	98 Å²	98	57 Å²	57	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-45.8	173	175.3	-96.7	0	0	0	111.6	L268 D276 L277 E278 K282 A283 Q284	L268-F280 HydrophobicContact CD1-CD1 3.93Å; L268-F280 HydrophobicContact CD1-CE1 3.54Å; L268-F280 HydrophobicContact CD1-CZ 4.42Å; D276-F280 WeakPolarHBondContact O-CB 3.43Å; D276-F280 PolarHBondContact O-N 3.17Å; L277-F280 WeakPolarHBondContact O-CB 3.21Å; L277-F280 PolarHBondContact O-N 2.68Å; E278-F280 VanDerWaalsContact C-N 3.33Å; E278-F280 PolarHBondContact O-N 2.62Å; F280-K282 PolarHBondContact O-N 3.1Å; F280-A283 PolarHBondContact O-N 2.89Å; F280-Q284 VanDerWaalsContact O-CB 3.3Å; F280-Q284 WeakPolarHBondContact O-CB 3.35Å; F280-Q284 PolarHBondContact O-N 3.27Å
281	R	86.4	Confident	83.7	Confident	43 Å²	43	56.9 Å²	56.9	16%	0.162	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-41	176.1	-67.9	-56.1	-171.1	-168.1	2.1	112.7	E265 L277 E278 Q284 A285	E265-R281 IonicContact OE1-NH1 3.64Å; E265-R281 PolarHBondContact OE1-NH1 3.18Å; E265-R281 IonicContact OE2-CZ 3.55Å; E265-R281 IonicContact OE2-NH1 2.65Å; E265-R281 PolarHBondContact OE2-NH1 3.32Å; E265-R281 IonicContact OE2-NH2 2.68Å; E265-R281 PolarHBondContact OE2-NH2 2.82Å; L277-R281 WeakPolarHBondContact O-CG 3.43Å; L277-R281 PolarHBondContact O-N 3.39Å; E278-R281 PolarHBondContact O-N 3.12Å; R281-Q284 PolarHBondContact O-N 3.49Å; R281-A285 WeakPolarHBondContact O-CB 3.3Å; R281-A285 PolarHBondContact O-N 2.88Å
282	K	85.6	Confident	83.3	Confident	35 Å²	35	52.8 Å²	52.8	15%	0.152	27%	0.273	C	S	.	.	H	α-helix	trans	-67.1	-36.2	176.2	-165.5	164.5	-172	170.5	0	112	E278 L279 F280 R286	E278-K282 WeakPolarHBondContact O-CB 3.27Å; E278-K282 PolarHBondContact O-N 2.89Å; L279-K282 PolarHBondContact O-N 3.05Å; F280-K282 PolarHBondContact O-N 3.1Å; K282-R286 WeakPolarHBondContact O-CG 3.32Å; K282-R286 PolarHBondContact O-N 2.57Å
283	A	86.2	Confident	83	Confident	54 Å²	54	53.8 Å²	53.8	45%	0.446	27%	0.272	S	S	.	.	H	α-helix	trans	-68.6	-43.8	172.4	0	0	0	0	0	112.4	L279 F280 R286 A287	L279-A283 WeakPolarHBondContact O-CB 3.44Å; L279-A283 PolarHBondContact O-N 2.92Å; F280-A283 PolarHBondContact O-N 2.89Å; A283-R286 PolarHBondContact O-N 3.02Å; A283-A287 PolarHBondContact O-N 2.96Å
284	Q	86.1	Confident	82.3	Confident	34 Å²	34	56.1 Å²	56.1	16%	0.159	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-44.4	178.4	-168.1	-179.4	46.5	0	0	111.7	L168 H185 E265 F280 R281 A287 S288	L168-Q284 HydrophobicContact CD2-CG 3.96Å; H185-Q284 PolarHBondContact CE1-NE2 3.27Å; H185-Q284 PolarHBondContact ND1-NE2 3.05Å; E265-Q284 PolarHBondContact OE1-NE2 2.98Å; F280-Q284 VanDerWaalsContact O-CB 3.3Å; F280-Q284 WeakPolarHBondContact O-CB 3.35Å; F280-Q284 PolarHBondContact O-N 3.27Å; R281-Q284 PolarHBondContact O-N 3.49Å; Q284-A287 PolarHBondContact O-N 3.09Å; Q284-S288 WeakPolarHBondContact O-CB 3.35Å; Q284-S288 PolarHBondContact O-N 2.96Å
285	A	84.4	Confident	81.3	Confident	4 Å²	4	55 Å²	55	3%	0.033	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-40.1	174.3	0	0	0	0	0	112.4	T169 R281 S288 E289	T169-A285 WeakPolarHBondContact CG2-O 3.42Å; R281-A285 WeakPolarHBondContact O-CB 3.3Å; R281-A285 PolarHBondContact O-N 2.88Å; A285-S288 WeakPolarHBondContact O-CB 3.44Å; A285-S288 PolarHBondContact O-N 3.16Å; A285-E289 PolarHBondContact O-N 3.18Å
286	R	84.6	Confident	80.3	Confident	125 Å²	125	57.8 Å²	57.8	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-66.1	-45.3	175.9	-77	175.4	172.3	-169.1	-2.7	112.4	E203 K282 A283 S288 E289 D290	E203-R286 IonicContact OE1-CZ 3.92Å; E203-R286 IonicContact OE1-NE 3.46Å; E203-R286 IonicContact OE1-NH2 2.71Å; E203-R286 PolarHBondContact OE1-NH2 3.01Å; K282-R286 WeakPolarHBondContact O-CG 3.32Å; K282-R286 PolarHBondContact O-N 2.57Å; A283-R286 PolarHBondContact O-N 3.02Å; R286-S288 VanDerWaalsContact C-N 3.28Å; R286-S288 PolarHBondContact O-N 3.12Å; R286-E289 WeakPolarHBondContact O-CB 3.48Å; R286-E289 PolarHBondContact O-N 2.71Å; R286-E289 VanDerWaalsContact O-N 3.08Å; R286-D290 PolarHBondContact O-N 2.72Å
287	A	83	Confident	79.3	Confident	62 Å²	62	62.1 Å²	62.1	51%	0.512	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-38.3	174.8	0	0	0	0	0	112.3	A283 Q284 D290 L291	A283-A287 PolarHBondContact O-N 2.96Å; Q284-A287 PolarHBondContact O-N 3.09Å; A287-D290 PolarHBondContact O-N 3.1Å; A287-L291 WeakPolarHBondContact O-CB 3.45Å; A287-L291 PolarHBondContact O-N 3.09Å
288	S	82.9	Confident	77.6	Confident	6 Å²	6	63.5 Å²	63.5	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-39.5	172.8	-169.1	0	0	0	0	112.3	H167 S179 Q284 A285 R286 E292	H167-S288 PolarHBondContact CE1-OG 2.9Å; H167-S288 VanDerWaalsContact CE1-OG 3.22Å; S179-S288 WeakPolarHBondContact O-CB 3.41Å; S179-S288 PolarHBondContact O-OG 3.12Å; Q284-S288 WeakPolarHBondContact O-CB 3.35Å; Q284-S288 PolarHBondContact O-N 2.96Å; A285-S288 WeakPolarHBondContact O-CB 3.44Å; A285-S288 PolarHBondContact O-N 3.16Å; R286-S288 VanDerWaalsContact C-N 3.28Å; R286-S288 PolarHBondContact O-N 3.12Å; S288-E292 WeakPolarHBondContact O-CB 3.35Å; S288-E292 PolarHBondContact O-N 3.03Å; S288-E292 VanDerWaalsContact O-N 3.15Å
289	E	81.6	Confident	75.8	Confident	42 Å²	42	65.9 Å²	65.9	20%	0.196	34%	0.342	C	S	.	.	H	α-helix	trans	-68.4	-39.3	175.4	-154.6	-173.4	107.2	0	0	112.7	T169 K171 A285 R286 E292 K293	T169-E289 HydrophobicContact CG2-CB 3.64Å; T169-E289 HydrophobicContact CG2-CG 4.01Å; K171-E289 WeakPolarHBondContact CD-OE2 3.42Å; K171-E289 WeakPolarHBondContact CE-OE2 3.49Å; K171-E289 IonicContact NZ-OE1 2.69Å; K171-E289 IonicContact NZ-OE2 2.59Å; K171-E289 PolarHBondContact NZ-OE2 3.36Å; A285-E289 PolarHBondContact O-N 3.18Å; R286-E289 WeakPolarHBondContact O-CB 3.48Å; R286-E289 PolarHBondContact O-N 2.71Å; R286-E289 VanDerWaalsContact O-N 3.08Å; E289-E292 PolarHBondContact O-N 2.83Å; E289-K293 VanDerWaalsContact O-CG 3.32Å; E289-K293 WeakPolarHBondContact O-CG 3.43Å; E289-K293 PolarHBondContact O-N 2.95Å; E289-K293 WeakPolarHBondContact OE1-CE 3.21Å; E289-K293 IonicContact OE1-NZ 3.66Å; E289-K293 PolarHBondContact OE1-NZ 2.94Å
290	D	80.2	Confident	73.8	Confident	79 Å²	79	64.4 Å²	64.4	42%	0.422	33%	0.334	S	S	.	.	H	α-helix	trans	-74.8	-35.3	-179.3	-65.5	-25.2	0	0	0	112	R286 A287 E292 K293 L294	R286-D290 PolarHBondContact O-N 2.72Å; A287-D290 PolarHBondContact O-N 3.1Å; D290-E292 VanDerWaalsContact C-N 3.32Å; D290-E292 PolarHBondContact O-N 3.39Å; D290-K293 PolarHBondContact O-N 3.43Å; D290-K293 IonicContact OD1-NZ 2.62Å; D290-K293 PolarHBondContact OD1-NZ 3.45Å; D290-L294 VanDerWaalsContact O-CG 3.29Å; D290-L294 WeakPolarHBondContact O-CG 3.2Å; D290-L294 PolarHBondContact O-N 2.93Å
291	L	71.3	Confident	71.8	Confident	44 Å²	44	62.6 Å²	62.6	23%	0.23	33%	0.331	C	S	.	.	H	α-helix	trans	-59.8	-43.1	168.7	-170.6	70.4	0	0	0	111.4	S179 A287 L294 R295 I300	S179-L291 VanDerWaalsContact OG-CD2 3.27Å; S179-L291 WeakPolarHBondContact OG-CD2 3.47Å; A287-L291 WeakPolarHBondContact O-CB 3.45Å; A287-L291 PolarHBondContact O-N 3.09Å; L291-L294 PolarHBondContact O-N 2.98Å; L291-R295 PolarHBondContact O-N 3.49Å; L291-I300 HydrophobicContact CD1-CD1 3.9Å; L291-I300 HydrophobicContact CD1-CG2 4.21Å
292	E	71.1	Confident	69.9	Low	20 Å²	20	65.6 Å²	65.6	9%	0.093	35%	0.347	C	S	.	.	H	α-helix	trans	-70	-35.2	178.5	-176.8	60.2	-167.9	0	0	112.6	H172 S288 E289 D290 L294 R295 I296	H172-E292 VanDerWaalsContact CE1-CG 3.48Å; H172-E292 WeakPolarHBondContact CE1-CG 3.32Å; S288-E292 WeakPolarHBondContact O-CB 3.35Å; S288-E292 PolarHBondContact O-N 3.03Å; S288-E292 VanDerWaalsContact O-N 3.15Å; E289-E292 PolarHBondContact O-N 2.83Å; D290-E292 VanDerWaalsContact C-N 3.32Å; D290-E292 PolarHBondContact O-N 3.39Å; E292-L294 VanDerWaalsContact C-N 3.34Å; E292-L294 PolarHBondContact O-N 2.9Å; E292-R295 WeakPolarHBondContact O-CB 3.41Å; E292-R295 PolarHBondContact O-N 3.09Å; E292-R295 IonicContact OE1-CZ 3.35Å; E292-R295 VanDerWaalsContact OE1-CZ 3.23Å; E292-R295 IonicContact OE1-NE 3.89Å; E292-R295 PolarHBondContact OE1-NE 3.46Å; E292-R295 IonicContact OE1-NH2 3.51Å; E292-R295 PolarHBondContact OE1-NH2 2.68Å; E292-R295 WeakPolarHBondContact OE2-CD 3.4Å; E292-R295 IonicContact OE2-CZ 2.67Å; E292-R295 IonicContact OE2-NE 2.75Å; E292-R295 PolarHBondContact OE2-NE 2.75Å; E292-R295 IonicContact OE2-NH2 3.21Å; E292-I296 HydrophobicContact CG-CD1 4.09Å; E292-I296 WeakPolarHBondContact O-CG1 3.38Å; E292-I296 PolarHBondContact O-N 3.24Å
293	K	75.2	Confident	68.1	Low	81 Å²	81	66.7 Å²	66.7	35%	0.352	37%	0.368	S	S	.	.	H	α-helix	trans	-60.4	-43.4	169.4	-72.1	164.5	-161.3	151.9	0	111.4	E289 D290 R295 I296 Q297	E289-K293 VanDerWaalsContact O-CG 3.32Å; E289-K293 WeakPolarHBondContact O-CG 3.43Å; E289-K293 PolarHBondContact O-N 2.95Å; E289-K293 WeakPolarHBondContact OE1-CE 3.21Å; E289-K293 IonicContact OE1-NZ 3.66Å; E289-K293 PolarHBondContact OE1-NZ 2.94Å; D290-K293 PolarHBondContact O-N 3.43Å; D290-K293 IonicContact OD1-NZ 2.62Å; D290-K293 PolarHBondContact OD1-NZ 3.45Å; K293-R295 VanDerWaalsContact C-N 3.32Å; K293-R295 PolarHBondContact O-N 2.93Å; K293-I296 PolarHBondContact O-N 3.47Å; K293-Q297 WeakPolarHBondContact O-CB 3.19Å; K293-Q297 VanDerWaalsContact O-CG 3.27Å; K293-Q297 WeakPolarHBondContact O-CG 3.28Å; K293-Q297 PolarHBondContact O-N 2.81Å
294	L	67.5	Low	66.4	Low	57 Å²	57	67.2 Å²	67.2	30%	0.298	37%	0.368	S	S	.	.	H	α-helix	trans	-67	-32.4	176.8	-68	165.5	0	0	0	112	D290 L291 E292 G298 Q299 I300	D290-L294 VanDerWaalsContact O-CG 3.29Å; D290-L294 WeakPolarHBondContact O-CG 3.2Å; D290-L294 PolarHBondContact O-N 2.93Å; L291-L294 PolarHBondContact O-N 2.98Å; E292-L294 VanDerWaalsContact C-N 3.34Å; E292-L294 PolarHBondContact O-N 2.9Å; L294-G298 PolarHBondContact O-N 2.94Å; L294-Q299 HydrophobicContact CD2-CB 4.44Å; L294-Q299 PolarHBondContact O-N 3.33Å; L294-I300 HydrophobicContact CB-CB 4.25Å; L294-I300 HydrophobicContact CB-CD1 3.72Å; L294-I300 HydrophobicContact CB-CG1 3.91Å; L294-I300 HydrophobicContact CD1-CD1 3.73Å; L294-I300 HydrophobicContact CG-CD1 4.32Å; L294-I300 PolarHBondContact O-N 3.13Å; L294-I300 VanDerWaalsContact O-N 3.11Å
295	R	61.6	Low	65	Low	76 Å²	76	67.3 Å²	67.3	29%	0.287	37%	0.37	S	S	.	.	H	α-helix	trans	-63.8	-50.1	169.6	-170.2	-174.1	79.7	75.1	1.7	112	L291 E292 K293 Q297 G298 I300	L291-R295 PolarHBondContact O-N 3.49Å; E292-R295 WeakPolarHBondContact O-CB 3.41Å; E292-R295 PolarHBondContact O-N 3.09Å; E292-R295 IonicContact OE1-CZ 3.35Å; E292-R295 VanDerWaalsContact OE1-CZ 3.23Å; E292-R295 IonicContact OE1-NE 3.89Å; E292-R295 PolarHBondContact OE1-NE 3.46Å; E292-R295 IonicContact OE1-NH2 3.51Å; E292-R295 PolarHBondContact OE1-NH2 2.68Å; E292-R295 WeakPolarHBondContact OE2-CD 3.4Å; E292-R295 IonicContact OE2-CZ 2.67Å; E292-R295 IonicContact OE2-NE 2.75Å; E292-R295 PolarHBondContact OE2-NE 2.75Å; E292-R295 IonicContact OE2-NH2 3.21Å; K293-R295 VanDerWaalsContact C-N 3.32Å; K293-R295 PolarHBondContact O-N 2.93Å; R295-Q297 VanDerWaalsContact C-N 3.31Å; R295-Q297 PolarHBondContact O-N 2.76Å; R295-G298 PolarHBondContact O-N 3.06Å; R295-I300 VanDerWaalsContact CA-O 3.28Å; R295-I300 WeakPolarHBondContact CA-O 3.4Å; R295-I300 WeakPolarHBondContact CB-O 3.42Å; R295-I300 WeakPolarHBondContact CG-O 3.24Å
296	I	64.4	Low	64.4	Low	113 Å²	113	70.6 Å²	70.6	58%	0.579	39%	0.386	S	S	*	.	H	α-helix	trans	-66.1	-33.2	-179.4	-67.5	166.2	0	0	0	111.6	E292 K293 G298	E292-I296 HydrophobicContact CG-CD1 4.09Å; E292-I296 WeakPolarHBondContact O-CG1 3.38Å; E292-I296 PolarHBondContact O-N 3.24Å; K293-I296 PolarHBondContact O-N 3.47Å; I296-G298 PolarHBondContact O-N 2.88Å
297	Q	63.8	Low	64.6	Low	133 Å²	133	64.9 Å²	64.9	62%	0.621	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	2.8	173.1	-68.9	176.8	19.2	0	0	113.8	K293 R295 Q299	K293-Q297 WeakPolarHBondContact O-CB 3.19Å; K293-Q297 VanDerWaalsContact O-CG 3.27Å; K293-Q297 WeakPolarHBondContact O-CG 3.28Å; K293-Q297 PolarHBondContact O-N 2.81Å; R295-Q297 VanDerWaalsContact C-N 3.31Å; R295-Q297 PolarHBondContact O-N 2.76Å; Q297-Q299 VanDerWaalsContact C-N 3.28Å; Q297-Q299 PolarHBondContact O-N 2.89Å
298	G	50.4	Low	64.9	Low	61 Å²	61	67.8 Å²	67.8	63%	0.629	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	14.7	176.9	0	0	0	0	0	114.9	L294 R295 I296	L294-G298 PolarHBondContact O-N 2.94Å; R295-G298 PolarHBondContact O-N 3.06Å; I296-G298 PolarHBondContact O-N 2.88Å
299	Q	49.1	Very low	65.5	Low	132 Å²	132	68.5 Å²	68.5	62%	0.617	37%	0.369	S	S	*	.	S	Bend	trans	-93.6	-22.7	-179.7	-63.9	-173.2	0.7	0	0	113.1	L294 Q297	L294-Q299 HydrophobicContact CD2-CB 4.44Å; L294-Q299 PolarHBondContact O-N 3.33Å; Q297-Q299 VanDerWaalsContact C-N 3.28Å; Q297-Q299 PolarHBondContact O-N 2.89Å
300	I	45.4	Very low	66.3	Low	53 Å²	53	66.5 Å²	66.5	27%	0.272	36%	0.36	S	S	.	.			trans	-134.2	91.5	177.7	-60.5	-178.1	0	0	0	110.6	L291 L294 R295 E302	L291-I300 HydrophobicContact CD1-CD1 3.9Å; L291-I300 HydrophobicContact CD1-CG2 4.21Å; L294-I300 HydrophobicContact CB-CB 4.25Å; L294-I300 HydrophobicContact CB-CD1 3.72Å; L294-I300 HydrophobicContact CB-CG1 3.91Å; L294-I300 HydrophobicContact CD1-CD1 3.73Å; L294-I300 HydrophobicContact CG-CD1 4.32Å; L294-I300 PolarHBondContact O-N 3.13Å; L294-I300 VanDerWaalsContact O-N 3.11Å; R295-I300 VanDerWaalsContact CA-O 3.28Å; R295-I300 WeakPolarHBondContact CA-O 3.4Å; R295-I300 WeakPolarHBondContact CB-O 3.42Å; R295-I300 WeakPolarHBondContact CG-O 3.24Å; I300-E302 HydrophobicContact CG2-CB 4.39Å; I300-E302 HydrophobicContact CG2-CG 3.75Å; I300-E302 PolarHBondContact O-N 2.87Å
301	T	46.3	Very low	67.2	Low	61 Å²	61	63.3 Å²	63.3	37%	0.374	34%	0.344	S	S	.	.			trans	-92.7	78.9	161.5	51.6	0	0	0	0	109.8	G303 S304 N305	T301-G303 PolarHBondContact O-N 3.38Å; T301-S304 WeakPolarHBondContact CB-OG 3.17Å; T301-S304 PolarHBondContact O-OG 2.92Å; T301-S304 PolarHBondContact OG1-OG 3.13Å; T301-N305 VanDerWaalsContact OG1-CG 3.25Å; T301-N305 PolarHBondContact OG1-ND2 3.08Å; T301-N305 PolarHBondContact OG1-OD1 3.34Å
302	E	46.8	Very low	68.4	Low	106 Å²	106	61.4 Å²	61.4	50%	0.495	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	130.9	173	-94.5	177.4	-171.6	0	0	111	I300 S304	I300-E302 HydrophobicContact CG2-CB 4.39Å; I300-E302 HydrophobicContact CG2-CG 3.75Å; I300-E302 PolarHBondContact O-N 2.87Å; E302-S304 PolarHBondContact O-N 3.44Å
303	G	48.7	Very low	69.5	Low	58 Å²	58	61.5 Å²	61.5	60%	0.598	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-30.5	175.6	0	0	0	0	0	116.6	T301	T301-G303 PolarHBondContact O-N 3.38Å
304	S	49.4	Very low	70.4	Confident	65 Å²	65	65.6 Å²	65.6	46%	0.455	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-37.9	-179.4	60.6	0	0	0	0	113.8	T301 E302	T301-S304 WeakPolarHBondContact CB-OG 3.17Å; T301-S304 PolarHBondContact O-OG 2.92Å; T301-S304 PolarHBondContact OG1-OG 3.13Å; E302-S304 PolarHBondContact O-N 3.44Å
305	N	57	Low	71.8	Confident	35 Å²	35	66 Å²	66	19%	0.187	35%	0.352	C	S	.	.	S	Bend	trans	-105.9	19.3	-170.2	-52.9	8.1	0	0	0	112.6	T301 E327 A330 R331	T301-N305 VanDerWaalsContact OG1-CG 3.25Å; T301-N305 PolarHBondContact OG1-ND2 3.08Å; T301-N305 PolarHBondContact OG1-OD1 3.34Å; N305-E327 WeakPolarHBondContact CB-OE1 3.45Å; N305-E327 VanDerWaalsContact ND2-CD 3.29Å; N305-E327 PolarHBondContact ND2-OE1 2.88Å; N305-A330 CarbonylContact C-O 3.59Å; N305-A330 CarbonylContact O-C 3.53Å; N305-A330 WeakPolarHBondContact O-CB 3.33Å; N305-R331 HydrophobicContact CB-CB 4.24Å
306	M	71.7	Confident	73.6	Confident	74 Å²	74	67.7 Å²	67.7	37%	0.365	36%	0.362	S	S	.	.			trans	-78.5	123.5	168.8	-162.4	177.8	78.8	0	0	108.8	K308	M306-K308 PolarHBondContact O-N 2.82Å
307	I	88.4	Confident	75.1	Confident	5 Å²	5	63 Å²	63	3%	0.026	34%	0.338	C	S	.	.			trans	-56.8	130.7	163.2	-62.9	152	0	0	0	107.2	T309 I310 T319 Y325 L335 L397	I307-T309 WeakPolarHBondContact CG2-O 3.12Å; I307-I310 HydrophobicContact CG2-CG2 3.96Å; I307-T319 HydrophobicContact CG2-CG2 4.27Å; I307-T319 PolarHBondContact O-OG1 3.33Å; I307-Y325 HydrophobicContact CD1-CD2 3.35Å; I307-Y325 HydrophobicContact CD1-CE2 3.97Å; I307-Y325 HydrophobicContact CD1-CG 3.83Å; I307-L335 HydrophobicContact CD1-CD1 3.63Å; I307-L335 HydrophobicContact CD1-CG 4.3Å; I307-L335 HydrophobicContact CG1-CD1 4.31Å; I307-L335 HydrophobicContact CG1-CG 4.48Å; I307-L397 HydrophobicContact CB-CD2 4.27Å; I307-L397 HydrophobicContact CD1-CD2 4.26Å; I307-L397 HydrophobicContact CG2-CD2 4.36Å
308	K	90.6	Very high	76.6	Confident	122 Å²	122	62.2 Å²	62.2	53%	0.53	34%	0.339	S	S	.	.			trans	-107.7	-37.2	179.4	-58.7	-177	-178.1	179.3	0	111.2	M306 D318 T319 G333	M306-K308 PolarHBondContact O-N 2.82Å; K308-D318 WeakPolarHBondContact O-CA 3.48Å; K308-T319 VanDerWaalsContact C-OG1 3.23Å; K308-T319 WeakPolarHBondContact CA-OG1 3.1Å; K308-T319 PolarHBondContact O-N 3.43Å; K308-T319 PolarHBondContact O-OG1 3.11Å; K308-T319 VanDerWaalsContact O-OG1 3.1Å; K308-G333 PolarHBondContact N-O 3.37Å
309	T	95.5	Very high	78.7	Confident	21 Å²	21	60 Å²	60	13%	0.129	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.3	-177.6	48.6	0	0	0	0	111.7	I307 L317 D318 G333 R334 L335	I307-T309 WeakPolarHBondContact CG2-O 3.12Å; T309-L317 CarbonylContact C-O 3.45Å; T309-L317 WeakPolarHBondContact CA-O 3.48Å; T309-D318 WeakPolarHBondContact CG2-OD1 3.5Å; T309-G333 PolarHBondContact N-O 2.96Å; T309-R334 WeakPolarHBondContact O-CA 3.24Å; T309-R334 WeakPolarHBondContact OG1-CG 3.34Å; T309-L335 PolarHBondContact O-N 2.83Å
310	I	98	Very high	80.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141.2	164.6	66.5	175.1	0	0	0	110.8	I307 E316 L317 T319 L335 L394 L397 F398	I307-I310 HydrophobicContact CG2-CG2 3.96Å; I310-E316 WeakPolarHBondContact O-CA 3.47Å; I310-L317 HydrophobicContact CD1-CD1 4.27Å; I310-L317 HydrophobicContact CG1-CB 3.88Å; I310-L317 HydrophobicContact CG1-CD1 4.28Å; I310-L317 PolarHBondContact N-O 3.41Å; I310-L317 PolarHBondContact O-N 2.88Å; I310-T319 HydrophobicContact CG1-CG2 4.41Å; I310-T319 HydrophobicContact CG2-CG2 3.84Å; I310-L335 CarbonylContact C-O 3.59Å; I310-L335 WeakPolarHBondContact CA-O 3.5Å; I310-L335 HydrophobicContact CG2-CB 3.98Å; I310-L394 HydrophobicContact CD1-CD1 3.4Å; I310-L394 VanDerWaalsContact CD1-CD1 3.4Å; I310-L397 HydrophobicContact CD1-CD1 4.31Å; I310-L397 HydrophobicContact CG2-CD1 3.86Å; I310-F398 HydrophobicContact CD1-CE2 4.09Å; I310-F398 HydrophobicContact CD1-CZ 3.93Å
311	V	98.1	Very high	82.7	Confident	13 Å²	13	60.2 Å²	60.2	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.7	164.8	-179.2	0	0	0	0	107.7	Y315 L335 Y336 V337 L351	V311-Y315 CarbonylContact C-O 3.46Å; V311-Y315 WeakPolarHBondContact CA-O 3.42Å; V311-L335 PolarHBondContact N-O 3.31Å; V311-Y336 HydrophobicContact CB-CD1 3.78Å; V311-Y336 HydrophobicContact CB-CE1 4.18Å; V311-Y336 HydrophobicContact CG1-CD1 4.27Å; V311-Y336 HydrophobicContact CG2-CD1 3.83Å; V311-Y336 HydrophobicContact CG2-CE1 3.7Å; V311-V337 PolarHBondContact O-N 3.31Å; V311-L351 HydrophobicContact CG1-CD2 4.47Å
312	F	97.9	Very high	84.7	Confident	3 Å²	3	62.2 Å²	62.2	1%	0.013	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	104.4	-176.8	-170.5	-85.7	0	0	0	109.7	R314 Y315 L317 V337 E339 L342 L394 L426 M448	F312-R314 PolarHBondContact O-N 3.41Å; F312-Y315 PolarHBondContact N-O 2.9Å; F312-Y315 PolarHBondContact O-N 3.27Å; F312-L317 HydrophobicContact CB-CD1 4.1Å; F312-V337 HydrophobicContact CD2-CB 3.94Å; F312-V337 HydrophobicContact CD2-CG1 3.75Å; F312-V337 HydrophobicContact CE2-CG1 3.9Å; F312-E339 HydrophobicContact CD1-CB 4.18Å; F312-E339 HydrophobicContact CE1-CB 3.67Å; F312-E339 HydrophobicContact CE2-CB 4.38Å; F312-E339 HydrophobicContact CZ-CB 3.78Å; F312-L342 HydrophobicContact CE2-CD2 3.71Å; F312-L342 HydrophobicContact CZ-CD2 3.94Å; F312-L394 HydrophobicContact CD2-CD2 4.23Å; F312-L394 HydrophobicContact CE2-CD2 3.7Å; F312-L394 HydrophobicContact CZ-CD2 4.48Å; F312-L426 HydrophobicContact CE1-CB 4.11Å; F312-L426 HydrophobicContact CE2-CD2 4.38Å; F312-L426 HydrophobicContact CZ-CB 3.81Å; F312-L426 HydrophobicContact CZ-CD2 3.81Å; F312-L426 HydrophobicContact CZ-CG 4.37Å; F312-M448 HydrophobicContact CD1-CE 4.27Å; F312-M448 HydrophobicContact CD2-CE 4.3Å; F312-M448 HydrophobicContact CE1-CE 4.39Å; F312-M448 HydrophobicContact CE2-CE 4.43Å; F312-M448 HydrophobicContact CG-CE 4.25Å; F312-M448 HydrophobicContact CZ-CE 4.48Å
313	G	94.7	Very high	86.9	Confident	23 Å²	23	57.3 Å²	57.3	24%	0.237	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	-123.2	-171.3	0	0	0	0	0	111.5	Y315 E339	G313-Y315 VanDerWaalsContact C-N 3.34Å; G313-E339 VanDerWaalsContact CA-CD 3.46Å; G313-E339 WeakPolarHBondContact CA-OE1 3.48Å
314	R	93.9	Very high	88.9	Confident	167 Å²	167	55.9 Å²	55.9	63%	0.63	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	1.9	174.6	68.4	-179.2	171.9	-133.4	-6.4	115.3	F312 D420	F312-R314 PolarHBondContact O-N 3.41Å; R314-D420 IonicContact NH1-OD2 2.66Å
315	Y	97.1	Very high	91	Very high	66 Å²	66	53.3 Å²	53.3	26%	0.259	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.9	-173.2	-57.9	-83	0	0	0	112.2	V311 F312 G313 Q450	V311-Y315 CarbonylContact C-O 3.46Å; V311-Y315 WeakPolarHBondContact CA-O 3.42Å; F312-Y315 PolarHBondContact N-O 2.9Å; F312-Y315 PolarHBondContact O-N 3.27Å; G313-Y315 VanDerWaalsContact C-N 3.34Å; Y315-Q450 HydrophobicContact CD1-CB 3.78Å; Y315-Q450 HydrophobicContact CD1-CG 3.93Å; Y315-Q450 HydrophobicContact CD2-CG 3.92Å; Y315-Q450 HydrophobicContact CE1-CB 3.86Å; Y315-Q450 HydrophobicContact CE1-CG 3.9Å; Y315-Q450 HydrophobicContact CE2-CG 3.9Å; Y315-Q450 HydrophobicContact CG-CB 4.21Å; Y315-Q450 HydrophobicContact CG-CG 3.94Å
316	E	97.5	Very high	92.7	Very high	110 Å²	110	53.4 Å²	53.4	51%	0.514	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.1	162	-174.8	164.6	158.8	0	0	108	I310 R334	I310-E316 WeakPolarHBondContact O-CA 3.47Å; E316-R334 VanDerWaalsContact CD-NH2 3.3Å; E316-R334 IonicContact OE1-CZ 3.68Å; E316-R334 IonicContact OE1-NH1 2.64Å; E316-R334 PolarHBondContact OE1-NH1 3.25Å; E316-R334 IonicContact OE1-NH2 3.1Å; E316-R334 IonicContact OE2-CZ 3.89Å; E316-R334 IonicContact OE2-NH1 2.76Å; E316-R334 PolarHBondContact OE2-NH1 3.45Å; E316-R334 IonicContact OE2-NH2 2.65Å; E316-R334 PolarHBondContact OE2-NH2 3.34Å
317	L	97.2	Very high	93.3	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.073	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.1	-168.7	-54.9	173.3	0	0	0	110.4	T309 I310 F312 M448 P449 Q450	T309-L317 CarbonylContact C-O 3.45Å; T309-L317 WeakPolarHBondContact CA-O 3.48Å; I310-L317 HydrophobicContact CD1-CD1 4.27Å; I310-L317 HydrophobicContact CG1-CB 3.88Å; I310-L317 HydrophobicContact CG1-CD1 4.28Å; I310-L317 PolarHBondContact N-O 3.41Å; I310-L317 PolarHBondContact O-N 2.88Å; F312-L317 HydrophobicContact CB-CD1 4.1Å; L317-M448 HydrophobicContact CD1-CE 4.02Å; L317-P449 HydrophobicContact CD2-CB 4.32Å; L317-Q450 HydrophobicContact CD2-CB 4.32Å
318	D	95.6	Very high	93.2	Very high	118 Å²	118	58.1 Å²	58.1	63%	0.631	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.6	169.9	-65.8	-46.9	0	0	0	111	K308 T309 F398	K308-D318 WeakPolarHBondContact O-CA 3.48Å; T309-D318 WeakPolarHBondContact CG2-OD1 3.5Å; D318-F398 WeakPolarHBondContact O-CE1 3.49Å
319	T	93.9	Very high	93.2	Very high	13 Å²	13	54.5 Å²	54.5	8%	0.08	26%	0.255	C	S	.	.			trans	-100.1	137.5	-176.8	52.3	0	0	0	0	111.8	I307 K308 I310 L397 F398	I307-T319 HydrophobicContact CG2-CG2 4.27Å; I307-T319 PolarHBondContact O-OG1 3.33Å; K308-T319 VanDerWaalsContact C-OG1 3.23Å; K308-T319 WeakPolarHBondContact CA-OG1 3.1Å; K308-T319 PolarHBondContact O-N 3.43Å; K308-T319 PolarHBondContact O-OG1 3.11Å; K308-T319 VanDerWaalsContact O-OG1 3.1Å; I310-T319 HydrophobicContact CG1-CG2 4.41Å; I310-T319 HydrophobicContact CG2-CG2 3.84Å; T319-L397 HydrophobicContact CG2-CB 3.86Å; T319-L397 HydrophobicContact CG2-CD1 3.83Å; T319-L397 HydrophobicContact CG2-CD2 3.95Å; T319-L397 HydrophobicContact CG2-CG 4.09Å; T319-F398 HydrophobicContact CG2-CE1 4.37Å; T319-F398 HydrophobicContact CG2-CZ 4.2Å
320	W	90.6	Very high	92.8	Very high	106 Å²	106	53.6 Å²	53.6	40%	0.402	25%	0.25	S	C	.	.			trans	-95.5	-28.8	-168	-49.4	-20.9	0	0	0	113.9	L397 F398 P449 M452 L484	W320-L397 PolarHBondContact N-O 3.11Å; W320-F398 HydrophobicContact CD2-CD1 4.04Å; W320-F398 HydrophobicContact CE3-CB 4.21Å; W320-F398 HydrophobicContact CE3-CD1 4.36Å; W320-F398 HydrophobicContact CG-CD1 4.36Å; W320-F398 HydrophobicContact CZ2-CD1 4.42Å; W320-F398 HydrophobicContact CZ3-CB 4.29Å; W320-P449 HydrophobicContact CZ2-CB 4.49Å; W320-P449 HydrophobicContact CZ2-CG 4.3Å; W320-M452 HydrophobicContact CH2-CE 3.9Å; W320-M452 HydrophobicContact CH2-SD 3.59Å; W320-M452 VanDerWaalsContact CH2-SD 3.59Å; W320-M452 HydrophobicContact CZ2-SD 4Å; W320-L484 HydrophobicContact CH2-CD1 4.42Å; W320-L484 HydrophobicContact CZ3-CD1 4.28Å
321	Y	89	Confident	92.2	Very high	84 Å²	84	61.2 Å²	61.2	33%	0.329	28%	0.278	S	S	.	.	S	Bend	trans	-133.3	154.5	-174.9	-53.6	-73.7	0	0	0	111.5	L397 D400	Y321-L397 PolarHBondContact N-O 3.01Å; Y321-D400 HydrophobicContact CD1-CB 3.82Å; Y321-D400 HydrophobicContact CD2-CB 4.35Å; Y321-D400 HydrophobicContact CE1-CB 3.59Å; Y321-D400 HydrophobicContact CE2-CB 4.12Å; Y321-D400 HydrophobicContact CG-CB 4.2Å
322	H	87.9	Confident	91.7	Very high	104 Å²	104	64 Å²	64	48%	0.481	29%	0.293	S	S	.	.			trans	-60.5	139.8	169	174.5	83	0	0	0	111	K396	H322-K396 WeakPolarHBondContact O-CE 3.48Å; H322-K396 WeakPolarHBondContact O-CG 3.36Å; H322-K396 PolarHBondContact O-NZ 3.4Å
323	S	91.8	Very high	91.1	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.014	30%	0.3	C	S	.	.			trans	-131.5	134.6	170.8	-179.9	0	0	0	0	109.7	Y325 L393 K396 L397	S323-Y325 PolarHBondContact O-N 2.97Å; S323-Y325 WeakPolarHBondContact OG-CE2 3.35Å; S323-L393 WeakPolarHBondContact CB-O 3.45Å; S323-L393 PolarHBondContact OG-O 3.46Å; S323-K396 WeakPolarHBondContact OG-CB 3.45Å; S323-L397 VanDerWaalsContact CB-CD2 3.48Å
324	P	91.1	Very high	91	Very high	29 Å²	29	67.2 Å²	67.2	19%	0.188	30%	0.303	C	S	.	.			trans	-81.4	59.5	-171.5	34.4	-36.2	0	0	0	112.1	L393 Y405 Y406	P324-L393 HydrophobicContact CG-CD2 4.12Å; P324-Y405 HydrophobicContact CB-CE2 4.28Å; P324-Y405 HydrophobicContact CG-CD1 4.1Å; P324-Y405 HydrophobicContact CG-CD2 3.81Å; P324-Y405 HydrophobicContact CG-CE1 3.78Å; P324-Y405 HydrophobicContact CG-CE2 3.44Å; P324-Y405 VanDerWaalsContact CG-CE2 3.44Å; P324-Y405 HydrophobicContact CG-CG 4.14Å; P324-Y405 VanDerWaalsContact CG-CZ 3.45Å; P324-Y406 PolarHBondContact O-OH 3.22Å; P324-Y406 VanDerWaalsContact O-OH 3.11Å
325	Y	93.8	Very high	91.1	Very high	11 Å²	11	59.3 Å²	59.3	4%	0.043	27%	0.273	C	S	.	.			trans	-63.4	154.1	163.4	-76	-92.5	0	0	0	110.3	I307 S323 E327 L335 Y344 L393 L394 L397	I307-Y325 HydrophobicContact CD1-CD2 3.35Å; I307-Y325 HydrophobicContact CD1-CE2 3.97Å; I307-Y325 HydrophobicContact CD1-CG 3.83Å; S323-Y325 PolarHBondContact O-N 2.97Å; S323-Y325 WeakPolarHBondContact OG-CE2 3.35Å; Y325-E327 PolarHBondContact O-N 2.88Å; Y325-L335 HydrophobicContact CD1-CD1 3.63Å; Y325-L335 HydrophobicContact CD2-CD1 4.11Å; Y325-L335 HydrophobicContact CE1-CD1 3.6Å; Y325-L335 HydrophobicContact CE2-CD1 4.08Å; Y325-L335 HydrophobicContact CG-CD1 3.88Å; Y325-Y344 AromaticContact CD1-CD1 3.96Å; Y325-Y344 HydrophobicContact CD1-CD1 3.96Å; Y325-Y344 AromaticContact CD1-CD2 3.93Å; Y325-Y344 HydrophobicContact CD1-CD2 3.93Å; Y325-Y344 HydrophobicContact CD1-CE1 4.13Å; Y325-Y344 HydrophobicContact CD1-CE2 4.12Å; Y325-Y344 AromaticContact CD1-CG 3.85Å; Y325-Y344 HydrophobicContact CD1-CG 3.85Å; Y325-Y344 AromaticContact CE1-CD1 3.58Å; Y325-Y344 HydrophobicContact CE1-CD1 3.58Å; Y325-Y344 HydrophobicContact CE1-CD2 4.22Å; Y325-Y344 HydrophobicContact CE1-CE1 4.09Å; Y325-Y344 AromaticContact CE1-CG 3.65Å; Y325-Y344 HydrophobicContact CE1-CG 3.65Å; Y325-L393 HydrophobicContact CD1-CB 4.39Å; Y325-L393 HydrophobicContact CD1-CD1 4.2Å; Y325-L393 HydrophobicContact CD2-CB 4.43Å; Y325-L393 HydrophobicContact CE1-CB 3.89Å; Y325-L393 HydrophobicContact CE1-CD1 4.28Å; Y325-L393 HydrophobicContact CE2-CB 3.94Å; Y325-L393 WeakPolarHBondContact CE2-O 2.99Å; Y325-L394 WeakPolarHBondContact OH-CA 3.39Å; Y325-L394 PolarHBondContact OH-N 2.8Å; Y325-L397 HydrophobicContact CE2-CD1 3.82Å; Y325-L397 HydrophobicContact CE2-CD2 4.17Å; Y325-L397 HydrophobicContact CE2-CG 4.03Å
326	P	92.2	Very high	91.2	Very high	36 Å²	36	57.9 Å²	57.9	23%	0.234	27%	0.267	C	S	.	.			trans	-56.8	139	176.3	-22.7	33.2	0	0	0	111.9	E328 Y329 A330 Y344	P326-E328 WeakPolarHBondContact CB-OE2 3.43Å; P326-E328 PolarHBondContact O-N 3.24Å; P326-E328 VanDerWaalsContact O-N 3.12Å; P326-Y329 HydrophobicContact CB-CD2 4.06Å; P326-Y329 HydrophobicContact CB-CE2 4.48Å; P326-Y329 HydrophobicContact CG-CD2 4.45Å; P326-Y329 WeakPolarHBondContact O-CA 3.43Å; P326-Y329 WeakPolarHBondContact O-CB 3.3Å; P326-Y329 PolarHBondContact O-N 3.41Å; P326-A330 PolarHBondContact O-N 3.46Å; P326-A330 VanDerWaalsContact O-N 3.09Å; P326-Y344 HydrophobicContact CG-CE2 4.33Å
327	E	85.2	Confident	91.2	Very high	94 Å²	94	52.7 Å²	52.7	44%	0.439	24%	0.243	S	C	.	.	H	α-helix	trans	-57.7	-33.7	-166.7	-174.5	52.2	-103.2	0	0	112.9	N305 Y325 Y329 A330 R331	N305-E327 WeakPolarHBondContact CB-OE1 3.45Å; N305-E327 VanDerWaalsContact ND2-CD 3.29Å; N305-E327 PolarHBondContact ND2-OE1 2.88Å; Y325-E327 PolarHBondContact O-N 2.88Å; E327-Y329 PolarHBondContact O-N 2.88Å; E327-A330 PolarHBondContact O-N 3.13Å; E327-R331 WeakPolarHBondContact O-CD 3.3Å; E327-R331 VanDerWaalsContact O-CG 3.3Å; E327-R331 WeakPolarHBondContact O-CG 3.48Å; E327-R331 PolarHBondContact O-N 2.61Å; E327-R331 PolarHBondContact OE1-N 2.83Å
328	E	85.9	Confident	91.3	Very high	84 Å²	84	52 Å²	52	39%	0.393	24%	0.239	S	C	.	.	H	α-helix	trans	-68.6	-3.5	177.1	79.6	-77.8	-174.3	0	0	114.7	P326 K346	P326-E328 WeakPolarHBondContact CB-OE2 3.43Å; P326-E328 PolarHBondContact O-N 3.24Å; P326-E328 VanDerWaalsContact O-N 3.12Å; E328-K346 VanDerWaalsContact O-CE 3.25Å; E328-K346 WeakPolarHBondContact O-CE 3.49Å; E328-K346 PolarHBondContact O-NZ 3.34Å
329	Y	91.2	Very high	91.4	Very high	46 Å²	46	48 Å²	48	18%	0.18	22%	0.217	C	C	.	.	H	α-helix	trans	-111.1	-40.5	166.5	-61.5	-99.4	0	0	0	112.2	P326 E327 R331 L332 L335 Y344 K346	P326-Y329 HydrophobicContact CB-CD2 4.06Å; P326-Y329 HydrophobicContact CB-CE2 4.48Å; P326-Y329 HydrophobicContact CG-CD2 4.45Å; P326-Y329 WeakPolarHBondContact O-CA 3.43Å; P326-Y329 WeakPolarHBondContact O-CB 3.3Å; P326-Y329 PolarHBondContact O-N 3.41Å; E327-Y329 PolarHBondContact O-N 2.88Å; Y329-R331 PolarHBondContact O-N 2.65Å; Y329-L332 VanDerWaalsContact O-CB 3.26Å; Y329-L332 WeakPolarHBondContact O-CB 3.27Å; Y329-L332 WeakPolarHBondContact O-CG 3.35Å; Y329-L332 PolarHBondContact O-N 3.27Å; Y329-L335 HydrophobicContact CD1-CD2 3.73Å; Y329-L335 HydrophobicContact CG-CD2 4.28Å; Y329-Y344 AromaticContact CD1-CD2 3.86Å; Y329-Y344 HydrophobicContact CD1-CD2 3.86Å; Y329-Y344 HydrophobicContact CD1-CE2 4.36Å; Y329-Y344 HydrophobicContact CD2-CD2 4.34Å; Y329-Y344 HydrophobicContact CD2-CE2 4.04Å; Y329-Y344 AromaticContact CE1-CD2 3.83Å; Y329-Y344 HydrophobicContact CE1-CD2 3.83Å; Y329-Y344 HydrophobicContact CE1-CE2 4.21Å; Y329-Y344 HydrophobicContact CE2-CD2 4.32Å; Y329-Y344 AromaticContact CE2-CE2 3.89Å; Y329-Y344 HydrophobicContact CE2-CE2 3.89Å; Y329-Y344 HydrophobicContact CG-CD2 4.13Å; Y329-Y344 HydrophobicContact CG-CE2 4.28Å; Y329-Y344 AromaticContact CZ-CE2 3.99Å; Y329-K346 HydrophobicContact CD1-CD 4.28Å; Y329-K346 HydrophobicContact CD1-CG 3.48Å; Y329-K346 VanDerWaalsContact CD1-CG 3.48Å; Y329-K346 HydrophobicContact CE1-CD 4.16Å; Y329-K346 HydrophobicContact CE1-CG 3.4Å; Y329-K346 HydrophobicContact CG-CG 4.36Å
330	A	87.3	Confident	91.6	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-57.6	-47.2	-175.9	0	0	0	0	0	112	N305 P326 E327 L332 G333	N305-A330 CarbonylContact C-O 3.59Å; N305-A330 CarbonylContact O-C 3.53Å; N305-A330 WeakPolarHBondContact O-CB 3.33Å; P326-A330 PolarHBondContact O-N 3.46Å; P326-A330 VanDerWaalsContact O-N 3.09Å; E327-A330 PolarHBondContact O-N 3.13Å; A330-L332 PolarHBondContact O-N 2.89Å; A330-G333 PolarHBondContact O-N 2.84Å
331	R	84.6	Confident	91.9	Very high	159 Å²	159	43.7 Å²	43.7	60%	0.6	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-6.1	173.8	77.2	-166.4	-169.8	102.6	-3	116.8	N305 E327 Y329	N305-R331 HydrophobicContact CB-CB 4.24Å; E327-R331 WeakPolarHBondContact O-CD 3.3Å; E327-R331 VanDerWaalsContact O-CG 3.3Å; E327-R331 WeakPolarHBondContact O-CG 3.48Å; E327-R331 PolarHBondContact O-N 2.61Å; E327-R331 PolarHBondContact OE1-N 2.83Å; Y329-R331 PolarHBondContact O-N 2.65Å
332	L	86.8	Confident	92.4	Very high	73 Å²	73	39.8 Å²	39.8	38%	0.382	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-17.1	177.9	-57.4	177.7	0	0	0	112.9	Y329 A330 R334 K346	Y329-L332 VanDerWaalsContact O-CB 3.26Å; Y329-L332 WeakPolarHBondContact O-CB 3.27Å; Y329-L332 WeakPolarHBondContact O-CG 3.35Å; Y329-L332 PolarHBondContact O-N 3.27Å; A330-L332 PolarHBondContact O-N 2.89Å; L332-R334 PolarHBondContact O-N 3.46Å; L332-K346 HydrophobicContact CD1-CB 3.66Å; L332-K346 HydrophobicContact CD1-CD 4.04Å; L332-K346 HydrophobicContact CD1-CG 3.72Å
333	G	85.4	Confident	92.9	Very high	16 Å²	16	39.9 Å²	39.9	17%	0.165	19%	0.186	C	C	.	.	S	Bend	trans	67.4	-16.4	-175.9	0	0	0	0	0	115.5	K308 T309 A330	K308-G333 PolarHBondContact N-O 3.37Å; T309-G333 PolarHBondContact N-O 2.96Å; A330-G333 PolarHBondContact O-N 2.84Å
334	R	92.9	Very high	93.1	Very high	77 Å²	77	41.7 Å²	41.7	29%	0.291	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.2	179.5	-175.9	175.3	-177.6	115	-0.7	111	T309 E316 L332 Y336	T309-R334 WeakPolarHBondContact O-CA 3.24Å; T309-R334 WeakPolarHBondContact OG1-CG 3.34Å; E316-R334 VanDerWaalsContact CD-NH2 3.3Å; E316-R334 IonicContact OE1-CZ 3.68Å; E316-R334 IonicContact OE1-NH1 2.64Å; E316-R334 PolarHBondContact OE1-NH1 3.25Å; E316-R334 IonicContact OE1-NH2 3.1Å; E316-R334 IonicContact OE2-CZ 3.89Å; E316-R334 IonicContact OE2-NH1 2.76Å; E316-R334 PolarHBondContact OE2-NH1 3.45Å; E316-R334 IonicContact OE2-NH2 2.65Å; E316-R334 PolarHBondContact OE2-NH2 3.34Å; L332-R334 PolarHBondContact O-N 3.46Å; R334-Y336 HydrophobicContact CG-CE2 4.1Å; R334-Y336 PolarHBondContact NE-OH 3.3Å; R334-Y336 VanDerWaalsContact NE-OH 3.12Å
335	L	96.9	Very high	93.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	154.5	175.3	-94.4	-178.3	0	0	0	112.3	I307 T309 I310 V311 Y325 Y329 M345	I307-L335 HydrophobicContact CD1-CD1 3.63Å; I307-L335 HydrophobicContact CD1-CG 4.3Å; I307-L335 HydrophobicContact CG1-CD1 4.31Å; I307-L335 HydrophobicContact CG1-CG 4.48Å; T309-L335 PolarHBondContact O-N 2.83Å; I310-L335 CarbonylContact C-O 3.59Å; I310-L335 WeakPolarHBondContact CA-O 3.5Å; I310-L335 HydrophobicContact CG2-CB 3.98Å; V311-L335 PolarHBondContact N-O 3.31Å; Y325-L335 HydrophobicContact CD1-CD1 3.63Å; Y325-L335 HydrophobicContact CD2-CD1 4.11Å; Y325-L335 HydrophobicContact CE1-CD1 3.6Å; Y325-L335 HydrophobicContact CE2-CD1 4.08Å; Y325-L335 HydrophobicContact CG-CD1 3.88Å; Y329-L335 HydrophobicContact CD1-CD2 3.73Å; Y329-L335 HydrophobicContact CG-CD2 4.28Å; L335-M345 WeakPolarHBondContact CD2-O 3.32Å
336	Y	98.1	Very high	93.5	Very high	37 Å²	37	43.9 Å²	43.9	15%	0.145	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.9	174.9	-63	-95.7	0	0	0	108.9	V311 R334 Y344 M345 S347 Q348 L351	V311-Y336 HydrophobicContact CB-CD1 3.78Å; V311-Y336 HydrophobicContact CB-CE1 4.18Å; V311-Y336 HydrophobicContact CG1-CD1 4.27Å; V311-Y336 HydrophobicContact CG2-CD1 3.83Å; V311-Y336 HydrophobicContact CG2-CE1 3.7Å; R334-Y336 HydrophobicContact CG-CE2 4.1Å; R334-Y336 PolarHBondContact NE-OH 3.3Å; R334-Y336 VanDerWaalsContact NE-OH 3.12Å; Y336-Y344 CarbonylContact O-C 3.54Å; Y336-Y344 WeakPolarHBondContact O-CA 3.26Å; Y336-M345 PolarHBondContact N-O 3.45Å; Y336-M345 PolarHBondContact O-N 3.27Å; Y336-S347 VanDerWaalsContact CD2-CA 3.44Å; Y336-Q348 HydrophobicContact CD1-CB 4.11Å; Y336-Q348 HydrophobicContact CE1-CB 3.67Å; Y336-Q348 HydrophobicContact CE1-CG 4.49Å; Y336-L351 HydrophobicContact CD1-CD2 4.38Å
337	V	98.4	Very high	93.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.6	-169.3	-176.4	0	0	0	0	110.4	V311 F312 E339 K343	V311-V337 PolarHBondContact O-N 3.31Å; F312-V337 HydrophobicContact CD2-CB 3.94Å; F312-V337 HydrophobicContact CD2-CG1 3.75Å; F312-V337 HydrophobicContact CE2-CG1 3.9Å; V337-E339 PolarHBondContact O-N 3.38Å; V337-K343 WeakPolarHBondContact CA-O 3.47Å
338	C	98.4	Very high	94.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.199	C	C	.	.			trans	-67.3	120.3	170.4	174.4	0	0	0	0	110.2	F340 C341 L342 K343 M345 H354 M355	C338-F340 VanDerWaalsContact C-N 3.29Å; C338-F340 PolarHBondContact O-N 2.97Å; C338-C341 PolarHBondContact SG-N 3.31Å; C338-C341 PolarHBondContact SG-SG 3.13Å; C338-L342 WeakPolarHBondContact O-CA 3.43Å; C338-L342 PolarHBondContact O-N 3.11Å; C338-K343 HydrophobicContact CB-CB 4.38Å; C338-K343 PolarHBondContact N-O 3.04Å; C338-M345 HydrophobicContact CB-CE 4.21Å; C338-H354 WeakPolarHBondContact CB-NE2 3.09Å; C338-H354 PolarHBondContact SG-NE2 3.43Å; C338-M355 HydrophobicContact CB-CE 3.86Å; C338-M355 WeakPolarHBondContact SG-CE 3.42Å
339	E	97.3	Very high	94.6	Very high	32 Å²	32	43 Å²	43	15%	0.15	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-26	-176.8	66.7	-165.9	119.7	0	0	114.2	F312 G313 V337 H425	F312-E339 HydrophobicContact CD1-CB 4.18Å; F312-E339 HydrophobicContact CE1-CB 3.67Å; F312-E339 HydrophobicContact CE2-CB 4.38Å; F312-E339 HydrophobicContact CZ-CB 3.78Å; G313-E339 VanDerWaalsContact CA-CD 3.46Å; G313-E339 WeakPolarHBondContact CA-OE1 3.48Å; V337-E339 PolarHBondContact O-N 3.38Å; E339-H425 IonicContact OE2-CE1 2.95Å; E339-H425 IonicContact OE2-CG 2.71Å; E339-H425 IonicContact OE2-ND1 3.19Å; E339-H425 PolarHBondContact OE2-ND1 3.15Å
340	F	97.9	Very high	94.9	Very high	12 Å²	12	43.7 Å²	43.7	5%	0.053	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-44	-177.3	-56	-63.7	0	0	0	114.2	C338 W360 K361 Y387	C338-F340 VanDerWaalsContact C-N 3.29Å; C338-F340 PolarHBondContact O-N 2.97Å; F340-W360 HydrophobicContact CB-CB 3.83Å; F340-W360 WeakPolarHBondContact CB-O 3.09Å; F340-W360 WeakPolarHBondContact CD2-O 3.46Å; F340-W360 VanDerWaalsContact CG-O 3.28Å; F340-W360 WeakPolarHBondContact CG-O 3.34Å; F340-K361 VanDerWaalsContact CD1-C 3.49Å; F340-K361 WeakPolarHBondContact CD1-O 3.26Å; F340-K361 HydrophobicContact CE2-CD 4.34Å; F340-Y387 WeakPolarHBondContact O-CE2 3.3Å
341	C	97.9	Very high	95.4	Very high	18 Å²	18	44 Å²	44	12%	0.122	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	1.8	-179.2	82	0	0	0	0	114.6	C338 K343 H354 W360 N390	C338-C341 PolarHBondContact SG-N 3.31Å; C338-C341 PolarHBondContact SG-SG 3.13Å; C341-K343 PolarHBondContact O-N 3.01Å; C341-H354 PolarHBondContact SG-NE2 3Å; C341-H354 VanDerWaalsContact SG-NE2 3.45Å; C341-W360 HydrophobicContact CB-CB 4.06Å; C341-W360 HydrophobicContact CB-CG 3.77Å; C341-N390 PolarHBondContact O-ND2 3.28Å
342	L	98.5	Very high	96	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	21%	0.208	C	C	.	.			trans	61.6	6.5	175	-49.5	179.2	0	0	0	115.6	F312 C338 Y344 Y387 N390 L391 L394 L426	F312-L342 HydrophobicContact CE2-CD2 3.71Å; F312-L342 HydrophobicContact CZ-CD2 3.94Å; C338-L342 WeakPolarHBondContact O-CA 3.43Å; C338-L342 PolarHBondContact O-N 3.11Å; L342-Y344 PolarHBondContact O-N 3.47Å; L342-Y387 HydrophobicContact CB-CE2 4.43Å; L342-Y387 HydrophobicContact CD1-CD2 4.16Å; L342-Y387 HydrophobicContact CD1-CE1 4.04Å; L342-Y387 HydrophobicContact CD1-CE2 3.56Å; L342-Y387 VanDerWaalsContact CD1-CZ 3.48Å; L342-Y387 HydrophobicContact CG-CD2 4.21Å; L342-Y387 HydrophobicContact CG-CE2 3.61Å; L342-N390 HydrophobicContact CB-CB 3.6Å; L342-N390 WeakPolarHBondContact O-CB 3.41Å; L342-L391 HydrophobicContact CD1-CB 3.61Å; L342-L391 HydrophobicContact CD1-CD1 3.78Å; L342-L391 HydrophobicContact CD1-CG 4.19Å; L342-L394 HydrophobicContact CD2-CD2 4.05Å; L342-L426 HydrophobicContact CD2-CD2 3.95Å
343	K	98.3	Very high	96.5	Very high	105 Å²	105	48.1 Å²	48.1	46%	0.457	22%	0.22	S	C	.	.			trans	-57.6	130.2	173.2	-174.2	175.8	-177.2	65.5	0	110.3	V337 C338 C341 M345 N390	V337-K343 WeakPolarHBondContact CA-O 3.47Å; C338-K343 HydrophobicContact CB-CB 4.38Å; C338-K343 PolarHBondContact N-O 3.04Å; C341-K343 PolarHBondContact O-N 3.01Å; K343-M345 WeakPolarHBondContact O-CE 3.47Å; K343-N390 PolarHBondContact N-ND2 2.86Å
344	Y	97.9	Very high	97.1	Very high	41 Å²	41	49.2 Å²	49.2	16%	0.161	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	147.2	176	53.1	-89.3	0	0	0	111.9	Y325 P326 Y329 Y336 L342 N390 L393	Y325-Y344 AromaticContact CD1-CD1 3.96Å; Y325-Y344 HydrophobicContact CD1-CD1 3.96Å; Y325-Y344 AromaticContact CD1-CD2 3.93Å; Y325-Y344 HydrophobicContact CD1-CD2 3.93Å; Y325-Y344 HydrophobicContact CD1-CE1 4.13Å; Y325-Y344 HydrophobicContact CD1-CE2 4.12Å; Y325-Y344 AromaticContact CD1-CG 3.85Å; Y325-Y344 HydrophobicContact CD1-CG 3.85Å; Y325-Y344 AromaticContact CE1-CD1 3.58Å; Y325-Y344 HydrophobicContact CE1-CD1 3.58Å; Y325-Y344 HydrophobicContact CE1-CD2 4.22Å; Y325-Y344 HydrophobicContact CE1-CE1 4.09Å; Y325-Y344 AromaticContact CE1-CG 3.65Å; Y325-Y344 HydrophobicContact CE1-CG 3.65Å; P326-Y344 HydrophobicContact CG-CE2 4.33Å; Y329-Y344 AromaticContact CD1-CD2 3.86Å; Y329-Y344 HydrophobicContact CD1-CD2 3.86Å; Y329-Y344 HydrophobicContact CD1-CE2 4.36Å; Y329-Y344 HydrophobicContact CD2-CD2 4.34Å; Y329-Y344 HydrophobicContact CD2-CE2 4.04Å; Y329-Y344 AromaticContact CE1-CD2 3.83Å; Y329-Y344 HydrophobicContact CE1-CD2 3.83Å; Y329-Y344 HydrophobicContact CE1-CE2 4.21Å; Y329-Y344 HydrophobicContact CE2-CD2 4.32Å; Y329-Y344 AromaticContact CE2-CE2 3.89Å; Y329-Y344 HydrophobicContact CE2-CE2 3.89Å; Y329-Y344 HydrophobicContact CG-CD2 4.13Å; Y329-Y344 HydrophobicContact CG-CE2 4.28Å; Y329-Y344 AromaticContact CZ-CE2 3.99Å; Y336-Y344 CarbonylContact O-C 3.54Å; Y336-Y344 WeakPolarHBondContact O-CA 3.26Å; L342-Y344 PolarHBondContact O-N 3.47Å; Y344-N390 WeakPolarHBondContact CE1-OD1 3.21Å; Y344-L393 HydrophobicContact CE1-CD1 4.09Å
345	M	97.9	Very high	97.3	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158.2	-170.9	-69.8	158.2	-70.9	0	0	111.4	L335 Y336 C338 K343 I350 L351 H354	L335-M345 WeakPolarHBondContact CD2-O 3.32Å; Y336-M345 PolarHBondContact N-O 3.45Å; Y336-M345 PolarHBondContact O-N 3.27Å; C338-M345 HydrophobicContact CB-CE 4.21Å; K343-M345 WeakPolarHBondContact O-CE 3.47Å; M345-I350 HydrophobicContact CB-CB 4.27Å; M345-I350 HydrophobicContact CB-CG2 3.91Å; M345-I350 HydrophobicContact CG-CG2 3.69Å; M345-I350 HydrophobicContact SD-CG2 3.9Å; M345-L351 HydrophobicContact CE-CB 4.1Å; M345-L351 HydrophobicContact CE-CD1 3.47Å; M345-L351 VanDerWaalsContact CE-CD1 3.47Å; M345-L351 HydrophobicContact CE-CG 4.36Å; M345-L351 HydrophobicContact SD-CB 4.35Å; M345-L351 HydrophobicContact SD-CD1 4.47Å; M345-H354 HydrophobicContact SD-CB 3.59Å; M345-H354 VanDerWaalsContact SD-CB 3.59Å
346	K	94	Very high	97.3	Very high	79 Å²	79	52.9 Å²	52.9	34%	0.343	26%	0.257	S	S	.	.	S	Bend	trans	-85.9	-16.9	-172.2	-56.3	-169.3	-178.1	-163.9	0	115.6	E328 Y329 L332 I350	E328-K346 VanDerWaalsContact O-CE 3.25Å; E328-K346 WeakPolarHBondContact O-CE 3.49Å; E328-K346 PolarHBondContact O-NZ 3.34Å; Y329-K346 HydrophobicContact CD1-CD 4.28Å; Y329-K346 HydrophobicContact CD1-CG 3.48Å; Y329-K346 VanDerWaalsContact CD1-CG 3.48Å; Y329-K346 HydrophobicContact CE1-CD 4.16Å; Y329-K346 HydrophobicContact CE1-CG 3.4Å; Y329-K346 HydrophobicContact CG-CG 4.36Å; L332-K346 HydrophobicContact CD1-CB 3.66Å; L332-K346 HydrophobicContact CD1-CD 4.04Å; L332-K346 HydrophobicContact CD1-CG 3.72Å; K346-I350 HydrophobicContact CB-CD1 4.24Å
347	S	94.6	Very high	97.3	Very high	43 Å²	43	59.7 Å²	59.7	30%	0.301	29%	0.287	S	S	.	.	S	Bend	trans	-157.1	156.8	-178.3	73.4	0	0	0	0	113.8	Y336 T349 I350 L351	Y336-S347 VanDerWaalsContact CD2-CA 3.44Å; S347-T349 PolarHBondContact O-N 2.91Å; S347-I350 WeakPolarHBondContact O-CB 3.46Å; S347-I350 PolarHBondContact O-N 3.29Å; S347-I350 WeakPolarHBondContact OG-CG1 3.33Å; S347-I350 PolarHBondContact OG-N 3.19Å; S347-L351 PolarHBondContact O-N 3.41Å
348	Q	95.4	Very high	97.2	Very high	79 Å²	79	60.4 Å²	60.4	37%	0.369	29%	0.292	S	S	.	.	H	α-helix	trans	-56.8	-31.5	177.1	-171	64.1	-2.8	0	0	113.2	Y336 L351 R352	Y336-Q348 HydrophobicContact CD1-CB 4.11Å; Y336-Q348 HydrophobicContact CE1-CB 3.67Å; Y336-Q348 HydrophobicContact CE1-CG 4.49Å; Q348-L351 PolarHBondContact O-N 3.5Å; Q348-R352 WeakPolarHBondContact O-CB 3.49Å; Q348-R352 WeakPolarHBondContact O-CG 3.25Å; Q348-R352 PolarHBondContact O-N 2.88Å
349	T	96.8	Very high	97.2	Very high	73 Å²	73	66.6 Å²	66.6	45%	0.448	33%	0.329	S	S	.	.	H	α-helix	trans	-77.6	-20.7	177.6	-59.7	0	0	0	0	112.6	S347 R352 R353	S347-T349 PolarHBondContact O-N 2.91Å; T349-R352 PolarHBondContact OG1-NH2 3.5Å; T349-R353 WeakPolarHBondContact O-CG 3.4Å; T349-R353 PolarHBondContact O-NE 3.34Å
350	I	97.8	Very high	97.2	Very high	61 Å²	61	70 Å²	70	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-78.1	-45.1	166.1	-59.5	167.5	0	0	0	109.5	M345 K346 S347 R352 R353 H354	M345-I350 HydrophobicContact CB-CB 4.27Å; M345-I350 HydrophobicContact CB-CG2 3.91Å; M345-I350 HydrophobicContact CG-CG2 3.69Å; M345-I350 HydrophobicContact SD-CG2 3.9Å; K346-I350 HydrophobicContact CB-CD1 4.24Å; S347-I350 WeakPolarHBondContact O-CB 3.46Å; S347-I350 PolarHBondContact O-N 3.29Å; S347-I350 WeakPolarHBondContact OG-CG1 3.33Å; S347-I350 PolarHBondContact OG-N 3.19Å; I350-R352 PolarHBondContact O-N 2.92Å; I350-R353 PolarHBondContact O-N 2.95Å; I350-H354 WeakPolarHBondContact O-CB 3.45Å; I350-H354 PolarHBondContact O-N 3.27Å
351	L	97.4	Very high	97.2	Very high	11 Å²	11	74.7 Å²	74.7	6%	0.058	36%	0.361	C	S	.	.	H	α-helix	trans	-56.7	-48.8	176.4	174.6	59.6	0	0	0	112.1	V311 Y336 M345 S347 Q348 R353 H354 M355	V311-L351 HydrophobicContact CG1-CD2 4.47Å; Y336-L351 HydrophobicContact CD1-CD2 4.38Å; M345-L351 HydrophobicContact CE-CB 4.1Å; M345-L351 HydrophobicContact CE-CD1 3.47Å; M345-L351 VanDerWaalsContact CE-CD1 3.47Å; M345-L351 HydrophobicContact CE-CG 4.36Å; M345-L351 HydrophobicContact SD-CB 4.35Å; M345-L351 HydrophobicContact SD-CD1 4.47Å; S347-L351 PolarHBondContact O-N 3.41Å; Q348-L351 PolarHBondContact O-N 3.5Å; L351-R353 PolarHBondContact O-N 3.48Å; L351-H354 CarbonylContact O-C 3.58Å; L351-H354 WeakPolarHBondContact O-CB 3.31Å; L351-H354 PolarHBondContact O-N 2.73Å; L351-H354 VanDerWaalsContact O-N 3.11Å; L351-M355 HydrophobicContact CD1-CE 4.04Å; L351-M355 HydrophobicContact CD1-CG 3.89Å; L351-M355 HydrophobicContact CD1-SD 4.34Å; L351-M355 HydrophobicContact CG-CG 4.33Å; L351-M355 WeakPolarHBondContact O-CG 3.37Å; L351-M355 PolarHBondContact O-N 2.96Å
352	R	97	Very high	97.2	Very high	152 Å²	152	77.7 Å²	77.7	57%	0.574	37%	0.374	S	S	*	.	H	α-helix	trans	-58.2	-45.1	177.1	-73.9	-176.1	-66.7	171	0.6	112.8	Q348 T349 I350 H354 M355 A356	Q348-R352 WeakPolarHBondContact O-CB 3.49Å; Q348-R352 WeakPolarHBondContact O-CG 3.25Å; Q348-R352 PolarHBondContact O-N 2.88Å; T349-R352 PolarHBondContact OG1-NH2 3.5Å; I350-R352 PolarHBondContact O-N 2.92Å; R352-H354 VanDerWaalsContact C-N 3.3Å; R352-H354 PolarHBondContact O-N 2.96Å; R352-M355 PolarHBondContact O-N 3.49Å; R352-A356 PolarHBondContact O-N 3.2Å; R352-A356 VanDerWaalsContact O-N 3.12Å
353	R	98.2	Very high	97.2	Very high	166 Å²	166	77.8 Å²	77.8	63%	0.626	37%	0.374	S	S	*	.	H	α-helix	trans	-67.3	-28.3	176.1	-72.1	-171.9	-60.2	157.2	1.5	113.3	T349 I350 L351	T349-R353 WeakPolarHBondContact O-CG 3.4Å; T349-R353 PolarHBondContact O-NE 3.34Å; I350-R353 PolarHBondContact O-N 2.95Å; L351-R353 PolarHBondContact O-N 3.48Å
354	H	98.1	Very high	97.2	Very high	39 Å²	39	73 Å²	73	18%	0.181	35%	0.354	C	S	.	.	H	α-helix	trans	-74.9	-43.3	172.7	172.6	51	0	0	0	111.6	C338 C341 M345 I350 L351 R352 A356 K357 C358	C338-H354 WeakPolarHBondContact CB-NE2 3.09Å; C338-H354 PolarHBondContact SG-NE2 3.43Å; C341-H354 PolarHBondContact SG-NE2 3Å; C341-H354 VanDerWaalsContact SG-NE2 3.45Å; M345-H354 HydrophobicContact SD-CB 3.59Å; M345-H354 VanDerWaalsContact SD-CB 3.59Å; I350-H354 WeakPolarHBondContact O-CB 3.45Å; I350-H354 PolarHBondContact O-N 3.27Å; L351-H354 CarbonylContact O-C 3.58Å; L351-H354 WeakPolarHBondContact O-CB 3.31Å; L351-H354 PolarHBondContact O-N 2.73Å; L351-H354 VanDerWaalsContact O-N 3.11Å; R352-H354 VanDerWaalsContact C-N 3.3Å; R352-H354 PolarHBondContact O-N 2.96Å; H354-A356 VanDerWaalsContact C-N 3.32Å; H354-A356 PolarHBondContact O-N 2.78Å; H354-K357 CarbonylContact O-C 3.55Å; H354-K357 WeakPolarHBondContact O-CA 3.29Å; H354-K357 PolarHBondContact O-N 2.85Å; H354-C358 WeakPolarHBondContact O-CB 3.29Å; H354-C358 PolarHBondContact O-N 3.42Å
355	M	96.5	Very high	97.1	Very high	67 Å²	67	72.7 Å²	72.7	33%	0.33	36%	0.363	S	S	.	.	H	α-helix	trans	-57.9	-42.1	176.2	-71.3	-63.6	92.9	0	0	112.2	C338 L351 R352 K357 C358	C338-M355 HydrophobicContact CB-CE 3.86Å; C338-M355 WeakPolarHBondContact SG-CE 3.42Å; L351-M355 HydrophobicContact CD1-CE 4.04Å; L351-M355 HydrophobicContact CD1-CG 3.89Å; L351-M355 HydrophobicContact CD1-SD 4.34Å; L351-M355 HydrophobicContact CG-CG 4.33Å; L351-M355 WeakPolarHBondContact O-CG 3.37Å; L351-M355 PolarHBondContact O-N 2.96Å; R352-M355 PolarHBondContact O-N 3.49Å; M355-K357 PolarHBondContact O-N 2.94Å; M355-C358 HydrophobicContact CE-CB 4.03Å; M355-C358 PolarHBondContact O-N 3.2Å
356	A	96.5	Very high	97.1	Very high	87 Å²	87	76.7 Å²	76.7	72%	0.719	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-7.6	174.1	0	0	0	0	0	114.8	R352 H354	R352-A356 PolarHBondContact O-N 3.2Å; R352-A356 VanDerWaalsContact O-N 3.12Å; H354-A356 VanDerWaalsContact C-N 3.32Å; H354-A356 PolarHBondContact O-N 2.78Å
357	K	98	Very high	97.3	Very high	179 Å²	179	76.7 Å²	76.7	78%	0.778	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	3.2	-179.6	-61.2	-171.1	177.4	-163.9	0	113.5	H354 M355 V359	H354-K357 CarbonylContact O-C 3.55Å; H354-K357 WeakPolarHBondContact O-CA 3.29Å; H354-K357 PolarHBondContact O-N 2.85Å; M355-K357 PolarHBondContact O-N 2.94Å; K357-V359 PolarHBondContact O-N 2.85Å
358	C	97.4	Very high	97.5	Very high	17 Å²	17	75 Å²	75	12%	0.115	37%	0.373	C	S	.	.			trans	-90.5	108.6	-174.1	-166.9	0	0	0	0	109.8	H354 M355 W360	H354-C358 WeakPolarHBondContact O-CB 3.29Å; H354-C358 PolarHBondContact O-N 3.42Å; M355-C358 HydrophobicContact CE-CB 4.03Å; M355-C358 PolarHBondContact O-N 3.2Å; C358-W360 PolarHBondContact O-N 3.39Å
359	V	97.3	Very high	97.6	Very high	129 Å²	129	71.3 Å²	71.3	78%	0.782	36%	0.356	S	S	*	.			trans	-70.6	-17	176.5	-61.3	0	0	0	0	113.4	K357	K357-V359 PolarHBondContact O-N 2.85Å
360	W	97.6	Very high	97.6	Very high	105 Å²	105	72.4 Å²	72.4	40%	0.398	35%	0.352	S	S	.	.			trans	-74	127	-178.1	-64.3	97	0	0	0	111.6	F340 C341 C358 P364	F340-W360 HydrophobicContact CB-CB 3.83Å; F340-W360 WeakPolarHBondContact CB-O 3.09Å; F340-W360 WeakPolarHBondContact CD2-O 3.46Å; F340-W360 VanDerWaalsContact CG-O 3.28Å; F340-W360 WeakPolarHBondContact CG-O 3.34Å; C341-W360 HydrophobicContact CB-CB 4.06Å; C341-W360 HydrophobicContact CB-CG 3.77Å; C358-W360 PolarHBondContact O-N 3.39Å; W360-P364 HydrophobicContact CH2-CB 3.69Å; W360-P364 HydrophobicContact CZ3-CB 3.62Å; W360-P364 HydrophobicContact CZ3-CG 4.5Å
361	K	97.3	Very high	97.6	Very high	109 Å²	109	73.7 Å²	73.7	47%	0.474	36%	0.355	S	S	.	.	S	Bend	trans	-124.3	-0.8	175.5	-66.2	-59.9	-167.7	166.4	0	113.9	F340 T422 G423 C424	F340-K361 VanDerWaalsContact CD1-C 3.49Å; F340-K361 WeakPolarHBondContact CD1-O 3.26Å; F340-K361 HydrophobicContact CE2-CD 4.34Å; K361-T422 PolarHBondContact NZ-O 2Å; K361-G423 CarbonylContact O-C 3.55Å; K361-G423 WeakPolarHBondContact O-CA 3.2Å; K361-C424 PolarHBondContact O-N 3.5Å
362	H	98	Very high	97.4	Very high	82 Å²	82	76.3 Å²	76.3	38%	0.38	38%	0.384	S	S	.	.	S	Bend	trans	-157.9	169	177.5	56	83.1	0	0	0	108.2	F377 C424	H362-F377 HydrophobicContact CB-CE1 4.2Å; H362-F377 HydrophobicContact CB-CE2 4.33Å; H362-F377 HydrophobicContact CB-CZ 3.76Å; H362-F377 AromaticContact ND1-CE1 3.69Å; H362-C424 HydrophobicContact CB-CB 3.82Å
363	P	98.4	Very high	97.3	Very high	3 Å²	3	71.5 Å²	71.5	2%	0.019	37%	0.374	C	S	.	.			trans	-56.5	150.7	170.8	-25.4	35.3	0	0	0	112.6	F377 V415 T417	P363-F377 HydrophobicContact CB-CB 3.99Å; P363-F377 HydrophobicContact CB-CD1 4.48Å; P363-F377 HydrophobicContact CB-CD2 4.19Å; P363-F377 HydrophobicContact CB-CG 3.97Å; P363-F377 HydrophobicContact CG-CB 4.41Å; P363-F377 HydrophobicContact CG-CD2 3.81Å; P363-F377 HydrophobicContact CG-CE2 4.34Å; P363-F377 HydrophobicContact CG-CG 4.13Å; P363-V415 HydrophobicContact CB-CB 4.35Å; P363-V415 HydrophobicContact CB-CG1 4.18Å; P363-V415 HydrophobicContact CG-CB 4.2Å; P363-V415 HydrophobicContact CG-CG1 3.62Å; P363-T417 HydrophobicContact CG-CG2 3.66Å
364	P	98.1	Very high	97.3	Very high	6 Å²	6	63.9 Å²	63.9	4%	0.039	35%	0.346	C	S	.	.	S	Bend	trans	-67.1	171.4	166	30.8	-34.4	0	0	0	111.4	W360 V379 N384 Y387	W360-P364 HydrophobicContact CH2-CB 3.69Å; W360-P364 HydrophobicContact CZ3-CB 3.62Å; W360-P364 HydrophobicContact CZ3-CG 4.5Å; P364-V379 HydrophobicContact CG-CG1 3.9Å; P364-V379 WeakPolarHBondContact O-CG2 3.43Å; P364-N384 HydrophobicContact CB-CB 4.45Å; P364-N384 WeakPolarHBondContact CB-OD1 3.36Å; P364-N384 HydrophobicContact CG-CB 4.19Å; P364-Y387 VanDerWaalsContact CD-CD2 3.5Å; P364-Y387 VanDerWaalsContact CD-CE2 3.46Å; P364-Y387 HydrophobicContact CG-CD1 3.65Å; P364-Y387 HydrophobicContact CG-CD2 3.79Å; P364-Y387 HydrophobicContact CG-CE1 4.13Å; P364-Y387 HydrophobicContact CG-CE2 4.23Å; P364-Y387 HydrophobicContact CG-CG 3.47Å; P364-Y387 VanDerWaalsContact CG-CG 3.47Å
365	G	96.9	Very high	97.3	Very high	33 Å²	33	62 Å²	62	34%	0.34	34%	0.337	S	S	.	.	S	Bend	trans	89	-165.2	-178	0	0	0	0	0	112.5	E378	G365-E378 WeakPolarHBondContact CA-O 3.19Å
366	D	97.8	Very high	97.4	Very high	90 Å²	90	58.8 Å²	58.8	48%	0.481	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.2	-166.1	-60.6	-65.9	0	0	0	110.5	V368 F377 E378 K383	D366-V368 PolarHBondContact O-N 2.68Å; D366-F377 CarbonylContact O-C 3.51Å; D366-F377 VanDerWaalsContact O-CA 3.32Å; D366-F377 WeakPolarHBondContact O-CA 3.27Å; D366-E378 PolarHBondContact N-O 3.47Å; D366-E378 PolarHBondContact O-N 3.45Å; D366-K383 IonicContact OD2-NZ 3.54Å
367	E	98.2	Very high	97.5	Very high	79 Å²	79	55 Å²	55	37%	0.369	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	93.7	177.3	-172.7	175.6	-124.1	0	0	110.2	R370 S375 F377	E367-R370 IonicContact OE1-CZ 3.02Å; E367-R370 IonicContact OE1-NE 2.65Å; E367-R370 PolarHBondContact OE1-NE 2.98Å; E367-R370 IonicContact OE1-NH2 2.65Å; E367-R370 PolarHBondContact OE1-NH2 2.74Å; E367-R370 IonicContact OE2-NE 3.45Å; E367-R370 IonicContact OE2-NH2 3.56Å; E367-S375 WeakPolarHBondContact OE1-CB 3.46Å; E367-S375 PolarHBondContact OE1-OG 3.12Å; E367-F377 HydrophobicContact CB-CD1 4.06Å; E367-F377 HydrophobicContact CB-CE1 3.78Å; E367-F377 HydrophobicContact CB-CZ 4.28Å; E367-F377 HydrophobicContact CG-CE1 4.2Å; E367-F377 HydrophobicContact CG-CZ 4.2Å
368	V	98.2	Very high	97.5	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-13.5	-174.7	-64.4	0	0	0	0	113.5	D366 V376 E378 F463 K574 W575	D366-V368 PolarHBondContact O-N 2.68Å; V368-V376 HydrophobicContact CG2-CB 4.45Å; V368-V376 VanDerWaalsContact CG2-O 3.3Å; V368-V376 WeakPolarHBondContact CG2-O 3.44Å; V368-V376 PolarHBondContact N-O 2.86Å; V368-E378 HydrophobicContact CG1-CB 3.68Å; V368-E378 HydrophobicContact CG2-CB 4.2Å; V368-F463 HydrophobicContact CG2-CZ 4.1Å; V368-K574 PolarHBondContact O-N 3Å; V368-W575 HydrophobicContact CB-CB 4.32Å
369	Y	98.4	Very high	97.6	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	138.2	177.7	178.4	-86.6	0	0	0	111	K371 I374 S375 V376 F463 I568 D569 S572 L573	Y369-K371 HydrophobicContact CE1-CB 3.95Å; Y369-I374 HydrophobicContact CE1-CG2 4.39Å; Y369-S375 CarbonylContact O-C 3.46Å; Y369-S375 WeakPolarHBondContact O-CA 3.37Å; Y369-S375 WeakPolarHBondContact O-CB 3.2Å; Y369-V376 HydrophobicContact CD1-CG2 4.15Å; Y369-V376 HydrophobicContact CG-CG2 4.4Å; Y369-V376 PolarHBondContact N-O 3.34Å; Y369-V376 PolarHBondContact O-N 3.25Å; Y369-F463 HydrophobicContact CD2-CD2 4.33Å; Y369-F463 AromaticContact CD2-CE2 3.76Å; Y369-F463 HydrophobicContact CD2-CE2 3.76Å; Y369-F463 HydrophobicContact CG-CD2 4.48Å; Y369-F463 AromaticContact CG-CE2 3.8Å; Y369-F463 HydrophobicContact CG-CE2 3.8Å; Y369-I568 HydrophobicContact CE1-CD1 4.37Å; Y369-I568 HydrophobicContact CE2-CG2 4.02Å; Y369-D569 WeakPolarHBondContact CE2-O 3.41Å; Y369-D569 PolarHBondContact OH-N 3.32Å; Y369-D569 VanDerWaalsContact OH-N 3.1Å; Y369-S572 WeakPolarHBondContact CD2-O 3.45Å; Y369-L573 HydrophobicContact CD2-CB 4.47Å
370	R	97.1	Very high	97.6	Very high	96 Å²	96	42 Å²	42	36%	0.362	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	117.6	174.8	170.2	65.2	75.7	169	-7.7	110.1	E367 G372 I374 S375 S572	E367-R370 IonicContact OE1-CZ 3.02Å; E367-R370 IonicContact OE1-NE 2.65Å; E367-R370 PolarHBondContact OE1-NE 2.98Å; E367-R370 IonicContact OE1-NH2 2.65Å; E367-R370 PolarHBondContact OE1-NH2 2.74Å; E367-R370 IonicContact OE2-NE 3.45Å; E367-R370 IonicContact OE2-NH2 3.56Å; R370-G372 WeakPolarHBondContact CD-O 3.39Å; R370-G372 PolarHBondContact NH1-O 3.1Å; R370-I374 WeakPolarHBondContact CA-O 3.48Å; R370-S375 PolarHBondContact NE-OG 2.65Å; R370-S375 PolarHBondContact NH2-OG 3.43Å; R370-S375 VanDerWaalsContact NH2-OG 3.11Å; R370-S572 PolarHBondContact N-O 3.08Å
371	K	96	Very high	97.6	Very high	88 Å²	88	37 Å²	37	38%	0.383	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	106.3	168.9	-177.2	164.5	178.3	173.2	0	110.3	Y369 S373 I374 D569	Y369-K371 HydrophobicContact CE1-CB 3.95Å; K371-S373 PolarHBondContact O-N 2.95Å; K371-I374 PolarHBondContact N-O 2.97Å; K371-I374 PolarHBondContact O-N 2.65Å; K371-D569 HydrophobicContact CD-CB 3.54Å; K371-D569 IonicContact NZ-OD2 2.67Å; K371-D569 PolarHBondContact NZ-OD2 2.9Å
372	G	94.2	Very high	97.6	Very high	65 Å²	65	39.3 Å²	39.3	67%	0.67	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	-127.7	-173.3	0	0	0	0	0	111.6	R370 I374	R370-G372 WeakPolarHBondContact CD-O 3.39Å; R370-G372 PolarHBondContact NH1-O 3.1Å; G372-I374 VanDerWaalsContact C-N 3.29Å; G372-I374 PolarHBondContact O-N 2.94Å
373	S	95.3	Very high	97.5	Very high	51 Å²	51	41.9 Å²	41.9	36%	0.357	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-13.9	174.5	56.8	0	0	0	0	114.1	K371 E418 A419	K371-S373 PolarHBondContact O-N 2.95Å; S373-E418 CarbonylContact O-C 3.59Å; S373-E418 WeakPolarHBondContact O-CA 3.19Å; S373-A419 WeakPolarHBondContact CB-O 3.43Å; S373-A419 WeakPolarHBondContact O-CB 3.45Å; S373-A419 PolarHBondContact O-N 2.38Å
374	I	97.4	Very high	97.5	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.3	-174.3	-54	-53	0	0	0	111.6	Y369 R370 K371 G372 M416 T417 E418 F456 M459	Y369-I374 HydrophobicContact CE1-CG2 4.39Å; R370-I374 WeakPolarHBondContact CA-O 3.48Å; K371-I374 PolarHBondContact N-O 2.97Å; K371-I374 PolarHBondContact O-N 2.65Å; G372-I374 VanDerWaalsContact C-N 3.29Å; G372-I374 PolarHBondContact O-N 2.94Å; I374-M416 HydrophobicContact CG2-CG 4.31Å; I374-M416 HydrophobicContact CG2-SD 4.47Å; I374-T417 WeakPolarHBondContact CA-O 3.5Å; I374-E418 HydrophobicContact CD1-CB 3.91Å; I374-E418 HydrophobicContact CD1-CG 3.84Å; I374-E418 WeakPolarHBondContact CD1-OE1 3.43Å; I374-F456 HydrophobicContact CD1-CE1 3.89Å; I374-M459 HydrophobicContact CG2-CE 4.03Å
375	S	98	Very high	97.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	158.5	174.2	-65.1	0	0	0	0	113.1	E367 Y369 R370 M416 T417	E367-S375 WeakPolarHBondContact OE1-CB 3.46Å; E367-S375 PolarHBondContact OE1-OG 3.12Å; Y369-S375 CarbonylContact O-C 3.46Å; Y369-S375 WeakPolarHBondContact O-CA 3.37Å; Y369-S375 WeakPolarHBondContact O-CB 3.2Å; R370-S375 PolarHBondContact NE-OG 2.65Å; R370-S375 PolarHBondContact NH2-OG 3.43Å; R370-S375 VanDerWaalsContact NH2-OG 3.11Å; S375-M416 WeakPolarHBondContact O-CA 3.47Å; S375-T417 PolarHBondContact N-O 3.02Å; S375-T417 PolarHBondContact O-N 3.02Å
376	V	98.7	Very high	97.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.9	162.9	-169.2	0	0	0	0	109.3	V368 Y369 V415 M416 F463	V368-V376 HydrophobicContact CG2-CB 4.45Å; V368-V376 VanDerWaalsContact CG2-O 3.3Å; V368-V376 WeakPolarHBondContact CG2-O 3.44Å; V368-V376 PolarHBondContact N-O 2.86Å; Y369-V376 HydrophobicContact CD1-CG2 4.15Å; Y369-V376 HydrophobicContact CG-CG2 4.4Å; Y369-V376 PolarHBondContact N-O 3.34Å; Y369-V376 PolarHBondContact O-N 3.25Å; V376-V415 WeakPolarHBondContact CA-O 3.48Å; V376-M416 HydrophobicContact CG2-CB 4.38Å; V376-M416 HydrophobicContact CG2-CE 3.96Å; V376-M416 HydrophobicContact CG2-CG 4.42Å; V376-F463 HydrophobicContact CB-CE1 4.12Å; V376-F463 HydrophobicContact CB-CE2 4.28Å; V376-F463 HydrophobicContact CB-CZ 3.93Å; V376-F463 HydrophobicContact CG1-CD1 4.17Å; V376-F463 HydrophobicContact CG1-CE1 3.74Å; V376-F463 HydrophobicContact CG1-CZ 4.06Å; V376-F463 HydrophobicContact CG2-CD1 4.41Å; V376-F463 HydrophobicContact CG2-CD2 4.13Å; V376-F463 HydrophobicContact CG2-CE1 4.34Å; V376-F463 HydrophobicContact CG2-CE2 4.05Å; V376-F463 HydrophobicContact CG2-CG 4.31Å; V376-F463 HydrophobicContact CG2-CZ 4.16Å
377	F	98.7	Very high	97.6	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.6	175.4	-66.8	-99.2	0	0	0	110	H362 P363 D366 E367 V379 Y414 V415 T417	H362-F377 HydrophobicContact CB-CE1 4.2Å; H362-F377 HydrophobicContact CB-CE2 4.33Å; H362-F377 HydrophobicContact CB-CZ 3.76Å; H362-F377 AromaticContact ND1-CE1 3.69Å; P363-F377 HydrophobicContact CB-CB 3.99Å; P363-F377 HydrophobicContact CB-CD1 4.48Å; P363-F377 HydrophobicContact CB-CD2 4.19Å; P363-F377 HydrophobicContact CB-CG 3.97Å; P363-F377 HydrophobicContact CG-CB 4.41Å; P363-F377 HydrophobicContact CG-CD2 3.81Å; P363-F377 HydrophobicContact CG-CE2 4.34Å; P363-F377 HydrophobicContact CG-CG 4.13Å; D366-F377 CarbonylContact O-C 3.51Å; D366-F377 VanDerWaalsContact O-CA 3.32Å; D366-F377 WeakPolarHBondContact O-CA 3.27Å; E367-F377 HydrophobicContact CB-CD1 4.06Å; E367-F377 HydrophobicContact CB-CE1 3.78Å; E367-F377 HydrophobicContact CB-CZ 4.28Å; E367-F377 HydrophobicContact CG-CE1 4.2Å; E367-F377 HydrophobicContact CG-CZ 4.2Å; F377-V379 HydrophobicContact CB-CG2 4.41Å; F377-Y414 WeakPolarHBondContact O-CA 3.5Å; F377-V415 PolarHBondContact N-O 3.37Å; F377-V415 PolarHBondContact O-N 3.49Å; F377-T417 HydrophobicContact CD2-CG2 4.43Å; F377-T417 HydrophobicContact CE2-CG2 4.45Å
378	E	98.6	Very high	97.6	Very high	22 Å²	22	43.9 Å²	43.9	10%	0.103	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	118	168.3	-176.8	-172.4	-89.4	0	0	109.4	G365 D366 V368 L412 Y414 W575	G365-E378 WeakPolarHBondContact CA-O 3.19Å; D366-E378 PolarHBondContact N-O 3.47Å; D366-E378 PolarHBondContact O-N 3.45Å; V368-E378 HydrophobicContact CG1-CB 3.68Å; V368-E378 HydrophobicContact CG2-CB 4.2Å; E378-L412 HydrophobicContact CG-CD2 4.46Å; E378-Y414 HydrophobicContact CB-CD1 4.31Å; E378-Y414 HydrophobicContact CB-CE1 4.05Å; E378-Y414 HydrophobicContact CG-CD1 4.44Å; E378-Y414 HydrophobicContact CG-CE1 3.88Å; E378-Y414 PolarHBondContact OE1-OH 3.4Å; E378-W575 PolarHBondContact OE1-NE1 3.44Å
379	V	98.4	Very high	97.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	108.9	-178.6	-159.2	0	0	0	0	110.2	P364 F377 G381 N384 Y387 F413 V415	P364-V379 HydrophobicContact CG-CG1 3.9Å; P364-V379 WeakPolarHBondContact O-CG2 3.43Å; F377-V379 HydrophobicContact CB-CG2 4.41Å; V379-G381 PolarHBondContact O-N 2.95Å; V379-N384 HydrophobicContact CG1-CB 3.71Å; V379-Y387 HydrophobicContact CG1-CD1 4.09Å; V379-Y387 HydrophobicContact CG1-CE1 4.49Å; V379-Y387 HydrophobicContact CG2-CE1 4.4Å; V379-F413 HydrophobicContact CB-CB 4.21Å; V379-F413 PolarHBondContact N-O 2.85Å; V379-F413 PolarHBondContact O-N 3.45Å; V379-V415 HydrophobicContact CG2-CB 4.43Å; V379-V415 HydrophobicContact CG2-CG2 3.76Å
380	D	98.1	Very high	97.6	Very high	29 Å²	29	46.1 Å²	46.1	16%	0.155	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	117.7	171.8	-177.8	-22.3	0	0	0	110.4	K382 K383 N384 L412 K434	D380-K382 PolarHBondContact O-N 3.24Å; D380-K382 WeakPolarHBondContact OD1-CA 3.36Å; D380-K382 VanDerWaalsContact OD1-CB 3.3Å; D380-K382 WeakPolarHBondContact OD1-CB 3.37Å; D380-K382 PolarHBondContact OD1-N 3.03Å; D380-K383 HydrophobicContact CB-CB 4.08Å; D380-K383 HydrophobicContact CB-CD 3.86Å; D380-K383 HydrophobicContact CB-CG 3.81Å; D380-K383 PolarHBondContact O-N 3.1Å; D380-K383 VanDerWaalsContact O-N 3.09Å; D380-K383 PolarHBondContact OD1-N 3.01Å; D380-N384 PolarHBondContact O-N 2.89Å; D380-L412 HydrophobicContact CB-CD2 4.12Å; D380-K434 VanDerWaalsContact CG-NZ 3.32Å; D380-K434 IonicContact OD1-NZ 3.23Å; D380-K434 PolarHBondContact OD1-NZ 3.29Å; D380-K434 IonicContact OD2-NZ 3.74Å; D380-K434 PolarHBondContact OD2-NZ 3.07Å
381	G	97.4	Very high	97.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.5	179.3	0	0	0	0	0	115.2	V379 K385 F411	V379-G381 PolarHBondContact O-N 2.95Å; G381-K385 WeakPolarHBondContact O-CA 3.49Å; G381-K385 PolarHBondContact O-N 2.87Å; G381-F411 PolarHBondContact N-O 3.4Å; G381-F411 VanDerWaalsContact N-O 3.13Å
382	K	96.7	Very high	97.7	Very high	157 Å²	157	37.6 Å²	37.6	68%	0.683	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-35.7	170.8	-173.7	177.8	177	-179.2	0	112.1	D380 E409	D380-K382 PolarHBondContact O-N 3.24Å; D380-K382 WeakPolarHBondContact OD1-CA 3.36Å; D380-K382 VanDerWaalsContact OD1-CB 3.3Å; D380-K382 WeakPolarHBondContact OD1-CB 3.37Å; D380-K382 PolarHBondContact OD1-N 3.03Å; K382-E409 HydrophobicContact CB-CB 4.04Å; K382-E409 HydrophobicContact CB-CG 4.02Å; K382-E409 HydrophobicContact CG-CB 4.41Å; K382-E409 HydrophobicContact CG-CG 4.14Å
383	K	97.3	Very high	97.9	Very high	137 Å²	137	34.6 Å²	34.6	60%	0.596	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-43.1	174.8	-61.5	-179.4	-164.6	170.1	0	111.3	D366 D380	D366-K383 IonicContact OD2-NZ 3.54Å; D380-K383 HydrophobicContact CB-CB 4.08Å; D380-K383 HydrophobicContact CB-CD 3.86Å; D380-K383 HydrophobicContact CB-CG 3.81Å; D380-K383 PolarHBondContact O-N 3.1Å; D380-K383 VanDerWaalsContact O-N 3.09Å; D380-K383 PolarHBondContact OD1-N 3.01Å
384	N	97.9	Very high	98	Very high	42 Å²	42	32.2 Å²	32.2	23%	0.225	15%	0.15	C	C	.	.	S	Bend	trans	-118	40	-168.1	-65	-66.6	0	0	0	113.2	P364 V379 D380 I386 Y387 C388	P364-N384 HydrophobicContact CB-CB 4.45Å; P364-N384 WeakPolarHBondContact CB-OD1 3.36Å; P364-N384 HydrophobicContact CG-CB 4.19Å; V379-N384 HydrophobicContact CG1-CB 3.71Å; D380-N384 PolarHBondContact O-N 2.89Å; N384-I386 VanDerWaalsContact C-N 3.33Å; N384-I386 PolarHBondContact O-N 2.83Å; N384-I386 VanDerWaalsContact O-N 3.11Å; N384-Y387 WeakPolarHBondContact O-CB 3.49Å; N384-Y387 PolarHBondContact O-N 2.87Å; N384-C388 PolarHBondContact O-N 3.12Å; N384-C388 VanDerWaalsContact O-N 3.13Å
385	K	97.6	Very high	98	Very high	69 Å²	69	32 Å²	32	30%	0.3	15%	0.149	S	C	.	.	H	α-helix	trans	-44.2	-50.2	-170.3	-178.4	159	-172.9	162.2	0	114.3	G381 Y387 C388 Q389 Y406 V408 E409	G381-K385 WeakPolarHBondContact O-CA 3.49Å; G381-K385 PolarHBondContact O-N 2.87Å; K385-Y387 PolarHBondContact O-N 3.03Å; K385-C388 PolarHBondContact O-N 3.09Å; K385-Q389 HydrophobicContact CG-CG 4.18Å; K385-Q389 WeakPolarHBondContact O-CB 3.41Å; K385-Q389 VanDerWaalsContact O-CG 3.27Å; K385-Q389 WeakPolarHBondContact O-CG 3.35Å; K385-Q389 PolarHBondContact O-N 3.21Å; K385-Y406 WeakPolarHBondContact CE-O 3.49Å; K385-V408 HydrophobicContact CB-CG2 4.33Å; K385-V408 HydrophobicContact CG-CG2 3.79Å; K385-E409 WeakPolarHBondContact CE-OE2 3.41Å; K385-E409 IonicContact NZ-OE1 2.62Å; K385-E409 PolarHBondContact NZ-OE1 2.81Å; K385-E409 IonicContact NZ-OE2 2.76Å; K385-E409 PolarHBondContact NZ-OE2 3.36Å
386	I	97.9	Very high	97.9	Very high	125 Å²	125	33 Å²	33	64%	0.641	15%	0.154	S	C	*	.	H	α-helix	trans	-60.1	-42.8	-178.4	-60	173.2	0	0	0	112	N384 N390	N384-I386 VanDerWaalsContact C-N 3.33Å; N384-I386 PolarHBondContact O-N 2.83Å; N384-I386 VanDerWaalsContact O-N 3.11Å; I386-N390 WeakPolarHBondContact O-CB 3.47Å; I386-N390 PolarHBondContact O-N 3.11Å; I386-N390 PolarHBondContact O-ND2 2.83Å
387	Y	98.6	Very high	97.7	Very high	17 Å²	17	33.1 Å²	33.1	7%	0.067	15%	0.154	C	C	.	.	H	α-helix	trans	-66.4	-45.5	178.7	178.8	-90.9	0	0	0	111.2	F340 L342 P364 V379 N384 K385 Q389 N390 L391 V415	F340-Y387 WeakPolarHBondContact O-CE2 3.3Å; L342-Y387 HydrophobicContact CB-CE2 4.43Å; L342-Y387 HydrophobicContact CD1-CD2 4.16Å; L342-Y387 HydrophobicContact CD1-CE1 4.04Å; L342-Y387 HydrophobicContact CD1-CE2 3.56Å; L342-Y387 VanDerWaalsContact CD1-CZ 3.48Å; L342-Y387 HydrophobicContact CG-CD2 4.21Å; L342-Y387 HydrophobicContact CG-CE2 3.61Å; P364-Y387 VanDerWaalsContact CD-CD2 3.5Å; P364-Y387 VanDerWaalsContact CD-CE2 3.46Å; P364-Y387 HydrophobicContact CG-CD1 3.65Å; P364-Y387 HydrophobicContact CG-CD2 3.79Å; P364-Y387 HydrophobicContact CG-CE1 4.13Å; P364-Y387 HydrophobicContact CG-CE2 4.23Å; P364-Y387 HydrophobicContact CG-CG 3.47Å; P364-Y387 VanDerWaalsContact CG-CG 3.47Å; V379-Y387 HydrophobicContact CG1-CD1 4.09Å; V379-Y387 HydrophobicContact CG1-CE1 4.49Å; V379-Y387 HydrophobicContact CG2-CE1 4.4Å; N384-Y387 WeakPolarHBondContact O-CB 3.49Å; N384-Y387 PolarHBondContact O-N 2.87Å; K385-Y387 PolarHBondContact O-N 3.03Å; Y387-Q389 PolarHBondContact O-N 2.86Å; Y387-N390 WeakPolarHBondContact O-CB 3.33Å; Y387-N390 PolarHBondContact O-N 3.41Å; Y387-L391 HydrophobicContact CE1-CD2 4.24Å; Y387-L391 WeakPolarHBondContact O-CB 3.48Å; Y387-L391 PolarHBondContact O-N 3.12Å; Y387-V415 HydrophobicContact CE1-CG2 4.35Å
388	C	98.6	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.7	-34	179.8	-66.1	0	0	0	0	112.6	N384 K385 L391 C392 V408 F413	N384-C388 PolarHBondContact O-N 3.12Å; N384-C388 VanDerWaalsContact O-N 3.13Å; K385-C388 PolarHBondContact O-N 3.09Å; C388-L391 PolarHBondContact O-N 2.87Å; C388-C392 WeakPolarHBondContact O-CB 3.46Å; C388-C392 PolarHBondContact O-N 3.12Å; C388-C392 PolarHBondContact O-SG 3.45Å; C388-C392 VanDerWaalsContact O-SG 3.34Å; C388-V408 HydrophobicContact CB-CB 3.93Å; C388-V408 HydrophobicContact CB-CG1 4.2Å; C388-V408 HydrophobicContact CB-CG2 3.92Å; C388-F413 HydrophobicContact CB-CD2 3.96Å; C388-F413 HydrophobicContact CB-CE1 4.43Å; C388-F413 HydrophobicContact CB-CE2 3.6Å; C388-F413 HydrophobicContact CB-CZ 3.88Å; C388-F413 WeakPolarHBondContact SG-CD2 3.45Å
389	Q	98.2	Very high	97.2	Very high	41 Å²	41	32.8 Å²	32.8	19%	0.192	15%	0.153	C	C	.	.	H	α-helix	trans	-65.7	-46.6	171	-72.8	-179.1	-32.6	0	0	111.7	K385 Y387 L391 C392 L393 Y406 V408	K385-Q389 HydrophobicContact CG-CG 4.18Å; K385-Q389 WeakPolarHBondContact O-CB 3.41Å; K385-Q389 VanDerWaalsContact O-CG 3.27Å; K385-Q389 WeakPolarHBondContact O-CG 3.35Å; K385-Q389 PolarHBondContact O-N 3.21Å; Y387-Q389 PolarHBondContact O-N 2.86Å; Q389-L391 VanDerWaalsContact C-N 3.31Å; Q389-L391 PolarHBondContact O-N 2.67Å; Q389-C392 PolarHBondContact O-N 3.04Å; Q389-L393 WeakPolarHBondContact O-CG 3.33Å; Q389-L393 PolarHBondContact O-N 2.96Å; Q389-Y406 HydrophobicContact CG-CD1 4.48Å; Q389-Y406 PolarHBondContact NE2-O 3.05Å; Q389-V408 HydrophobicContact CG-CG1 4.13Å; Q389-V408 HydrophobicContact CG-CG2 3.93Å
390	N	98.5	Very high	96.7	Very high	15 Å²	15	36.5 Å²	36.5	8%	0.08	17%	0.173	C	C	.	.	H	α-helix	trans	-57.8	-44	174.2	-70.6	-19.4	0	0	0	111.7	C341 L342 K343 Y344 I386 Y387 L393 L394	C341-N390 PolarHBondContact O-ND2 3.28Å; L342-N390 HydrophobicContact CB-CB 3.6Å; L342-N390 WeakPolarHBondContact O-CB 3.41Å; K343-N390 PolarHBondContact N-ND2 2.86Å; Y344-N390 WeakPolarHBondContact CE1-OD1 3.21Å; I386-N390 WeakPolarHBondContact O-CB 3.47Å; I386-N390 PolarHBondContact O-N 3.11Å; I386-N390 PolarHBondContact O-ND2 2.83Å; Y387-N390 WeakPolarHBondContact O-CB 3.33Å; Y387-N390 PolarHBondContact O-N 3.41Å; N390-L393 PolarHBondContact O-N 3.48Å; N390-L394 WeakPolarHBondContact O-CB 3.4Å; N390-L394 PolarHBondContact O-N 3.21Å
391	L	98.6	Very high	95.9	Very high	3 Å²	3	40 Å²	40	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-41.3	176	-177.1	55.7	0	0	0	111.9	L342 Y387 C388 Q389 L394 A395 F413 V415 L426 Y429	L342-L391 HydrophobicContact CD1-CB 3.61Å; L342-L391 HydrophobicContact CD1-CD1 3.78Å; L342-L391 HydrophobicContact CD1-CG 4.19Å; Y387-L391 HydrophobicContact CE1-CD2 4.24Å; Y387-L391 WeakPolarHBondContact O-CB 3.48Å; Y387-L391 PolarHBondContact O-N 3.12Å; C388-L391 PolarHBondContact O-N 2.87Å; Q389-L391 VanDerWaalsContact C-N 3.31Å; Q389-L391 PolarHBondContact O-N 2.67Å; L391-L394 PolarHBondContact O-N 3.01Å; L391-A395 WeakPolarHBondContact O-CB 3.4Å; L391-A395 PolarHBondContact O-N 3Å; L391-F413 HydrophobicContact CD2-CB 4.35Å; L391-F413 HydrophobicContact CD2-CD1 3.85Å; L391-F413 HydrophobicContact CD2-CG 4.42Å; L391-V415 HydrophobicContact CD2-CG2 3.89Å; L391-L426 HydrophobicContact CD1-CD2 4.22Å; L391-Y429 HydrophobicContact CD1-CD1 3.82Å; L391-Y429 HydrophobicContact CD1-CE1 4.09Å; L391-Y429 HydrophobicContact CD1-CG 4.16Å; L391-Y429 HydrophobicContact CD2-CD1 4.36Å; L391-Y429 HydrophobicContact CD2-CD2 3.82Å; L391-Y429 HydrophobicContact CD2-CE2 4.24Å; L391-Y429 HydrophobicContact CD2-CG 3.9Å; L391-Y429 HydrophobicContact CG-CD1 4.2Å; L391-Y429 HydrophobicContact CG-CD2 4.29Å; L391-Y429 HydrophobicContact CG-CE1 4.24Å; L391-Y429 HydrophobicContact CG-CE2 4.34Å; L391-Y429 HydrophobicContact CG-CG 4.24Å
392	C	98.1	Very high	95.5	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-42.8	175.9	-80.3	0	0	0	0	113.2	C388 Q389 A395 K396 K402	C388-C392 WeakPolarHBondContact O-CB 3.46Å; C388-C392 PolarHBondContact O-N 3.12Å; C388-C392 PolarHBondContact O-SG 3.45Å; C388-C392 VanDerWaalsContact O-SG 3.34Å; Q389-C392 PolarHBondContact O-N 3.04Å; C392-A395 PolarHBondContact O-N 3.19Å; C392-K396 WeakPolarHBondContact O-CB 3.41Å; C392-K396 PolarHBondContact O-N 3.34Å; C392-K402 VanDerWaalsContact SG-CE 3.55Å; C392-K402 PolarHBondContact SG-NZ 2.92Å
393	L	97.5	Very high	94.8	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-41.5	176.1	-70.8	173.1	0	0	0	111.4	S323 P324 Y325 Y344 Q389 N390 K396 Y405 Y406	S323-L393 WeakPolarHBondContact CB-O 3.45Å; S323-L393 PolarHBondContact OG-O 3.46Å; P324-L393 HydrophobicContact CG-CD2 4.12Å; Y325-L393 HydrophobicContact CD1-CB 4.39Å; Y325-L393 HydrophobicContact CD1-CD1 4.2Å; Y325-L393 HydrophobicContact CD2-CB 4.43Å; Y325-L393 HydrophobicContact CE1-CB 3.89Å; Y325-L393 HydrophobicContact CE1-CD1 4.28Å; Y325-L393 HydrophobicContact CE2-CB 3.94Å; Y325-L393 WeakPolarHBondContact CE2-O 2.99Å; Y344-L393 HydrophobicContact CE1-CD1 4.09Å; Q389-L393 WeakPolarHBondContact O-CG 3.33Å; Q389-L393 PolarHBondContact O-N 2.96Å; N390-L393 PolarHBondContact O-N 3.48Å; L393-K396 PolarHBondContact O-N 2.89Å; L393-Y405 HydrophobicContact CD2-CD2 4.25Å; L393-Y406 HydrophobicContact CD1-CE1 4.4Å
394	L	98	Very high	94.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-46	173.4	177.6	61.7	0	0	0	111.2	I310 F312 Y325 L342 N390 L391 K396 L397 F398 L426 M448	I310-L394 HydrophobicContact CD1-CD1 3.4Å; I310-L394 VanDerWaalsContact CD1-CD1 3.4Å; F312-L394 HydrophobicContact CD2-CD2 4.23Å; F312-L394 HydrophobicContact CE2-CD2 3.7Å; F312-L394 HydrophobicContact CZ-CD2 4.48Å; Y325-L394 WeakPolarHBondContact OH-CA 3.39Å; Y325-L394 PolarHBondContact OH-N 2.8Å; L342-L394 HydrophobicContact CD2-CD2 4.05Å; N390-L394 WeakPolarHBondContact O-CB 3.4Å; N390-L394 PolarHBondContact O-N 3.21Å; L391-L394 PolarHBondContact O-N 3.01Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 3.37Å; L394-L397 HydrophobicContact CD1-CD1 4.36Å; L394-L397 WeakPolarHBondContact O-CB 3.33Å; L394-L397 PolarHBondContact O-N 2.93Å; L394-F398 HydrophobicContact CD1-CE2 4.2Å; L394-F398 WeakPolarHBondContact O-CD2 3.4Å; L394-L426 HydrophobicContact CD2-CD2 3.97Å; L394-M448 HydrophobicContact CD1-CE 4.29Å; L394-M448 HydrophobicContact CD2-CE 4.19Å; L394-M448 HydrophobicContact CD2-SD 4.3Å; L394-M448 HydrophobicContact CG-CE 4.44Å
395	A	97.3	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.6	-35.2	-179.1	0	0	0	0	0	113.1	L391 C392 L397 F398 L399 K402 Y429 L446	L391-A395 WeakPolarHBondContact O-CB 3.4Å; L391-A395 PolarHBondContact O-N 3Å; C392-A395 PolarHBondContact O-N 3.19Å; A395-L397 PolarHBondContact O-N 2.87Å; A395-F398 CarbonylContact O-C 3.57Å; A395-F398 PolarHBondContact O-N 3.38Å; A395-L399 HydrophobicContact CB-CD1 4.31Å; A395-L399 WeakPolarHBondContact O-CB 3.48Å; A395-L399 PolarHBondContact O-N 3.25Å; A395-K402 HydrophobicContact CB-CD 4.21Å; A395-Y429 HydrophobicContact CB-CE1 3.59Å; A395-Y429 VanDerWaalsContact CB-OH 3.26Å; A395-Y429 WeakPolarHBondContact CB-OH 3.26Å; A395-L446 HydrophobicContact CB-CD2 3.92Å
396	K	95.1	Very high	93	Very high	23 Å²	23	38.2 Å²	38.2	10%	0.1	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-21.2	179.5	179.5	69.9	-156.1	70.8	0	113.3	H322 S323 C392 L393 L394 F398 L399 D400 K402	H322-K396 WeakPolarHBondContact O-CE 3.48Å; H322-K396 WeakPolarHBondContact O-CG 3.36Å; H322-K396 PolarHBondContact O-NZ 3.4Å; S323-K396 WeakPolarHBondContact OG-CB 3.45Å; C392-K396 WeakPolarHBondContact O-CB 3.41Å; C392-K396 PolarHBondContact O-N 3.34Å; L393-K396 PolarHBondContact O-N 2.89Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 3.37Å; K396-F398 PolarHBondContact O-N 3.45Å; K396-L399 PolarHBondContact NZ-O 3.38Å; K396-L399 VanDerWaalsContact O-O 3.1Å; K396-D400 WeakPolarHBondContact CE-O 3.47Å; K396-D400 PolarHBondContact NZ-O 2.99Å; K396-D400 VanDerWaalsContact NZ-O 3.1Å; K396-K402 HydrophobicContact CD-CB 4.03Å; K396-K402 WeakPolarHBondContact CD-O 3.37Å; K396-K402 WeakPolarHBondContact CE-O 3.43Å
397	L	95.1	Very high	92.8	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.1	171.4	-63.7	166.7	0	0	0	113.2	I307 I310 T319 W320 Y321 S323 Y325 L394 A395	I307-L397 HydrophobicContact CB-CD2 4.27Å; I307-L397 HydrophobicContact CD1-CD2 4.26Å; I307-L397 HydrophobicContact CG2-CD2 4.36Å; I310-L397 HydrophobicContact CD1-CD1 4.31Å; I310-L397 HydrophobicContact CG2-CD1 3.86Å; T319-L397 HydrophobicContact CG2-CB 3.86Å; T319-L397 HydrophobicContact CG2-CD1 3.83Å; T319-L397 HydrophobicContact CG2-CD2 3.95Å; T319-L397 HydrophobicContact CG2-CG 4.09Å; W320-L397 PolarHBondContact N-O 3.11Å; Y321-L397 PolarHBondContact N-O 3.01Å; S323-L397 VanDerWaalsContact CB-CD2 3.48Å; Y325-L397 HydrophobicContact CE2-CD1 3.82Å; Y325-L397 HydrophobicContact CE2-CD2 4.17Å; Y325-L397 HydrophobicContact CE2-CG 4.03Å; L394-L397 HydrophobicContact CD1-CD1 4.36Å; L394-L397 WeakPolarHBondContact O-CB 3.33Å; L394-L397 PolarHBondContact O-N 2.93Å; A395-L397 PolarHBondContact O-N 2.87Å
398	F	95.1	Very high	92.7	Very high	5 Å²	5	36.3 Å²	36.3	2%	0.022	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-2.7	-175.6	-51.6	-70.1	0	0	0	113.4	I310 D318 T319 W320 L394 A395 K396 L446 M448 P449	I310-F398 HydrophobicContact CD1-CE2 4.09Å; I310-F398 HydrophobicContact CD1-CZ 3.93Å; D318-F398 WeakPolarHBondContact O-CE1 3.49Å; T319-F398 HydrophobicContact CG2-CE1 4.37Å; T319-F398 HydrophobicContact CG2-CZ 4.2Å; W320-F398 HydrophobicContact CD2-CD1 4.04Å; W320-F398 HydrophobicContact CE3-CB 4.21Å; W320-F398 HydrophobicContact CE3-CD1 4.36Å; W320-F398 HydrophobicContact CG-CD1 4.36Å; W320-F398 HydrophobicContact CZ2-CD1 4.42Å; W320-F398 HydrophobicContact CZ3-CB 4.29Å; L394-F398 HydrophobicContact CD1-CE2 4.2Å; L394-F398 WeakPolarHBondContact O-CD2 3.4Å; A395-F398 CarbonylContact O-C 3.57Å; A395-F398 PolarHBondContact O-N 3.38Å; K396-F398 PolarHBondContact O-N 3.45Å; F398-L446 HydrophobicContact CB-CD1 3.75Å; F398-L446 HydrophobicContact CB-CD2 4.14Å; F398-L446 HydrophobicContact CD2-CD2 4.1Å; F398-M448 HydrophobicContact CE2-CE 4.43Å; F398-P449 HydrophobicContact CD1-CG 3.73Å; F398-P449 HydrophobicContact CE1-CG 3.46Å; F398-P449 VanDerWaalsContact CE1-CG 3.46Å; F398-P449 HydrophobicContact CG-CG 4.38Å; F398-P449 HydrophobicContact CZ-CG 3.9Å
399	L	90.9	Very high	92.6	Very high	19 Å²	19	39.3 Å²	39.3	10%	0.099	19%	0.194	C	C	.	.			trans	-124.8	118.5	176.4	-64.7	177.9	0	0	0	109.9	A395 K396 K402 C444 L446	A395-L399 HydrophobicContact CB-CD1 4.31Å; A395-L399 WeakPolarHBondContact O-CB 3.48Å; A395-L399 PolarHBondContact O-N 3.25Å; K396-L399 PolarHBondContact NZ-O 3.38Å; K396-L399 VanDerWaalsContact O-O 3.1Å; L399-K402 HydrophobicContact CB-CB 4.02Å; L399-K402 HydrophobicContact CD1-CD 4.14Å; L399-C444 HydrophobicContact CD1-CB 4.15Å; L399-L446 HydrophobicContact CD1-CB 4.41Å; L399-L446 HydrophobicContact CD2-CD1 4.45Å
400	D	87.4	Confident	92.5	Very high	77 Å²	77	40.7 Å²	40.7	41%	0.412	21%	0.206	S	C	.	.	S	Bend	trans	-66.1	-64.7	178.2	-171.6	36.7	0	0	0	111.4	Y321 K396 K402	Y321-D400 HydrophobicContact CD1-CB 3.82Å; Y321-D400 HydrophobicContact CD2-CB 4.35Å; Y321-D400 HydrophobicContact CE1-CB 3.59Å; Y321-D400 HydrophobicContact CE2-CB 4.12Å; Y321-D400 HydrophobicContact CG-CB 4.2Å; K396-D400 WeakPolarHBondContact CE-O 3.47Å; K396-D400 PolarHBondContact NZ-O 2.99Å; K396-D400 VanDerWaalsContact NZ-O 3.1Å; D400-K402 PolarHBondContact O-N 3.46Å
401	H	81.9	Confident	92.5	Very high	102 Å²	102	41 Å²	41	47%	0.472	21%	0.207	S	C	.	.	S	Bend	trans	-76.1	11.2	-169.3	-44.4	-34.2	0	0	0	115.4	T403 P480	H401-T403 PolarHBondContact O-N 2.66Å; H401-P480 HydrophobicContact CB-CG 4.06Å
402	K	89.4	Confident	92.4	Very high	16 Å²	16	41.3 Å²	41.3	7%	0.07	21%	0.209	C	C	.	.			trans	-76	112.4	177.6	176	165.6	175.5	51.7	0	109.8	C392 A395 K396 L399 D400 L404	C392-K402 VanDerWaalsContact SG-CE 3.55Å; C392-K402 PolarHBondContact SG-NZ 2.92Å; A395-K402 HydrophobicContact CB-CD 4.21Å; K396-K402 HydrophobicContact CD-CB 4.03Å; K396-K402 WeakPolarHBondContact CD-O 3.37Å; K396-K402 WeakPolarHBondContact CE-O 3.43Å; L399-K402 HydrophobicContact CB-CB 4.02Å; L399-K402 HydrophobicContact CD1-CD 4.14Å; D400-K402 PolarHBondContact O-N 3.46Å; K402-L404 WeakPolarHBondContact CE-O 3.48Å; K402-L404 PolarHBondContact NZ-O 2.69Å
403	T	81.7	Confident	92.5	Very high	108 Å²	108	41.3 Å²	41.3	66%	0.663	21%	0.208	S	C	*	.			trans	-94.6	-36.7	-174.4	51	0	0	0	0	114.1	H401 Y405	H401-T403 PolarHBondContact O-N 2.66Å; T403-Y405 VanDerWaalsContact O-CD1 3.25Å; T403-Y405 WeakPolarHBondContact O-CD1 3.42Å; T403-Y405 WeakPolarHBondContact O-CE1 3.48Å
404	L	82.5	Confident	92.5	Very high	79 Å²	79	41.2 Å²	41.2	41%	0.414	21%	0.208	S	C	.	.			trans	-97.4	130.6	-176.8	-62.9	176.5	0	0	0	111.9	K402 F411	K402-L404 WeakPolarHBondContact CE-O 3.48Å; K402-L404 PolarHBondContact NZ-O 2.69Å; L404-F411 HydrophobicContact CD1-CE2 3.95Å; L404-F411 HydrophobicContact CD1-CZ 3.85Å
405	Y	86.4	Confident	92.5	Very high	71 Å²	71	41.1 Å²	41.1	28%	0.278	21%	0.207	S	C	.	.	S	Bend	trans	-143.3	-27.4	-179.8	42.9	-90.8	0	0	0	115.4	P324 L393 T403	P324-Y405 HydrophobicContact CB-CE2 4.28Å; P324-Y405 HydrophobicContact CG-CD1 4.1Å; P324-Y405 HydrophobicContact CG-CD2 3.81Å; P324-Y405 HydrophobicContact CG-CE1 3.78Å; P324-Y405 HydrophobicContact CG-CE2 3.44Å; P324-Y405 VanDerWaalsContact CG-CE2 3.44Å; P324-Y405 HydrophobicContact CG-CG 4.14Å; P324-Y405 VanDerWaalsContact CG-CZ 3.45Å; L393-Y405 HydrophobicContact CD2-CD2 4.25Å; T403-Y405 VanDerWaalsContact O-CD1 3.25Å; T403-Y405 WeakPolarHBondContact O-CD1 3.42Å; T403-Y405 WeakPolarHBondContact O-CE1 3.48Å
406	Y	86.8	Confident	92.6	Very high	95 Å²	95	41.1 Å²	41.1	37%	0.373	21%	0.207	S	C	.	.	S	Bend	trans	-94.5	-35.7	174.3	-67.6	-48.1	0	0	0	114.2	P324 K385 Q389 L393 V408	P324-Y406 PolarHBondContact O-OH 3.22Å; P324-Y406 VanDerWaalsContact O-OH 3.11Å; K385-Y406 WeakPolarHBondContact CE-O 3.49Å; Q389-Y406 HydrophobicContact CG-CD1 4.48Å; Q389-Y406 PolarHBondContact NE2-O 3.05Å; L393-Y406 HydrophobicContact CD1-CE1 4.4Å; Y406-V408 PolarHBondContact O-N 3.21Å
407	D	93.4	Very high	92.8	Very high	99 Å²	99	40.1 Å²	40.1	53%	0.529	20%	0.203	S	C	.	.			trans	-88.9	86.5	179.6	-56.8	-43.5	0	0	0	110
408	V	96.9	Very high	92.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.012	21%	0.214	C	C	.	.			trans	-105.8	-13.1	-171.8	-66.1	0	0	0	0	112.8	K385 C388 Q389 Y406 F411 F413	K385-V408 HydrophobicContact CB-CG2 4.33Å; K385-V408 HydrophobicContact CG-CG2 3.79Å; C388-V408 HydrophobicContact CB-CB 3.93Å; C388-V408 HydrophobicContact CB-CG1 4.2Å; C388-V408 HydrophobicContact CB-CG2 3.92Å; Q389-V408 HydrophobicContact CG-CG1 4.13Å; Q389-V408 HydrophobicContact CG-CG2 3.93Å; Y406-V408 PolarHBondContact O-N 3.21Å; V408-F411 PolarHBondContact O-N 2.71Å; V408-F413 HydrophobicContact CB-CE2 4.11Å; V408-F413 HydrophobicContact CB-CZ 4.05Å; V408-F413 HydrophobicContact CG1-CZ 3.99Å
409	E	96.4	Very high	92.9	Very high	64 Å²	64	43.4 Å²	43.4	30%	0.299	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.5	179.4	-63.7	96.6	125.3	0	0	116.1	K382 K385 F411 K434	K382-E409 HydrophobicContact CB-CB 4.04Å; K382-E409 HydrophobicContact CB-CG 4.02Å; K382-E409 HydrophobicContact CG-CB 4.41Å; K382-E409 HydrophobicContact CG-CG 4.14Å; K385-E409 WeakPolarHBondContact CE-OE2 3.41Å; K385-E409 IonicContact NZ-OE1 2.62Å; K385-E409 PolarHBondContact NZ-OE1 2.81Å; K385-E409 IonicContact NZ-OE2 2.76Å; K385-E409 PolarHBondContact NZ-OE2 3.36Å; E409-F411 PolarHBondContact O-N 3.03Å; E409-K434 PolarHBondContact O-NZ 2.66Å
410	P	96	Very high	93.1	Very high	70 Å²	70	45.6 Å²	45.6	46%	0.455	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.8	174.2	-21.3	34.6	0	0	0	114.7	K434	P410-K434 WeakPolarHBondContact O-CB 3.49Å; P410-K434 WeakPolarHBondContact O-CG 3.43Å; P410-K434 PolarHBondContact O-N 2.91Å
411	F	97	Very high	93.4	Very high	20 Å²	20	50.2 Å²	50.2	9%	0.088	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	149.8	-167.3	-61.7	-86.7	0	0	0	113.7	G381 L404 V408 E409 F413 K432 E433 K434	G381-F411 PolarHBondContact N-O 3.4Å; G381-F411 VanDerWaalsContact N-O 3.13Å; L404-F411 HydrophobicContact CD1-CE2 3.95Å; L404-F411 HydrophobicContact CD1-CZ 3.85Å; V408-F411 PolarHBondContact O-N 2.71Å; E409-F411 PolarHBondContact O-N 3.03Å; F411-F413 HydrophobicContact CB-CD2 4.27Å; F411-F413 HydrophobicContact CB-CE2 3.61Å; F411-F413 HydrophobicContact CB-CZ 4Å; F411-K432 WeakPolarHBondContact CA-O 3.25Å; F411-E433 HydrophobicContact CD1-CG 4.18Å; F411-E433 HydrophobicContact CE1-CG 3.63Å; F411-E433 HydrophobicContact CZ-CG 4.36Å; F411-K434 WeakPolarHBondContact O-CE 3.18Å
412	L	97.8	Very high	93.9	Very high	11 Å²	11	49 Å²	49	6%	0.058	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	145.7	156.4	-60.5	176.1	0	0	0	108.5	E378 D380 Y414 S431 K432 K434 P578	E378-L412 HydrophobicContact CG-CD2 4.46Å; D380-L412 HydrophobicContact CB-CD2 4.12Å; L412-Y414 HydrophobicContact CB-CE2 3.89Å; L412-Y414 HydrophobicContact CD1-CE2 4.44Å; L412-S431 CarbonylContact O-C 3.58Å; L412-S431 VanDerWaalsContact O-CA 3.29Å; L412-S431 WeakPolarHBondContact O-CA 3.25Å; L412-K432 PolarHBondContact N-O 3.34Å; L412-K432 PolarHBondContact O-N 3.37Å; L412-K434 HydrophobicContact CD1-CG 4.45Å; L412-K434 HydrophobicContact CD2-CG 4.25Å; L412-K434 HydrophobicContact CG-CG 3.87Å; L412-P578 HydrophobicContact CD1-CG 4.27Å
413	F	98.6	Very high	94.2	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.5	176.5	-61.9	-106.8	0	0	0	108.6	V379 C388 L391 V408 F411 V415 Y429	V379-F413 HydrophobicContact CB-CB 4.21Å; V379-F413 PolarHBondContact N-O 2.85Å; V379-F413 PolarHBondContact O-N 3.45Å; C388-F413 HydrophobicContact CB-CD2 3.96Å; C388-F413 HydrophobicContact CB-CE1 4.43Å; C388-F413 HydrophobicContact CB-CE2 3.6Å; C388-F413 HydrophobicContact CB-CZ 3.88Å; C388-F413 WeakPolarHBondContact SG-CD2 3.45Å; L391-F413 HydrophobicContact CD2-CB 4.35Å; L391-F413 HydrophobicContact CD2-CD1 3.85Å; L391-F413 HydrophobicContact CD2-CG 4.42Å; V408-F413 HydrophobicContact CB-CE2 4.11Å; V408-F413 HydrophobicContact CB-CZ 4.05Å; V408-F413 HydrophobicContact CG1-CZ 3.99Å; F411-F413 HydrophobicContact CB-CD2 4.27Å; F411-F413 HydrophobicContact CB-CE2 3.61Å; F411-F413 HydrophobicContact CB-CZ 4Å; F413-V415 HydrophobicContact CB-CG2 4.3Å; F413-Y429 AromaticContact CD1-CD2 3.89Å; F413-Y429 HydrophobicContact CD1-CD2 3.89Å; F413-Y429 AromaticContact CD1-CE2 3.69Å; F413-Y429 HydrophobicContact CD1-CE2 3.69Å; F413-Y429 HydrophobicContact CE1-CE2 4.14Å
414	Y	98.7	Very high	94.9	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	102	177.6	-66.4	-86.4	0	0	0	108.3	F377 E378 L412 Y429 F430 K432 F463 L467	F377-Y414 WeakPolarHBondContact O-CA 3.5Å; E378-Y414 HydrophobicContact CB-CD1 4.31Å; E378-Y414 HydrophobicContact CB-CE1 4.05Å; E378-Y414 HydrophobicContact CG-CD1 4.44Å; E378-Y414 HydrophobicContact CG-CE1 3.88Å; E378-Y414 PolarHBondContact OE1-OH 3.4Å; L412-Y414 HydrophobicContact CB-CE2 3.89Å; L412-Y414 HydrophobicContact CD1-CE2 4.44Å; Y414-Y429 CarbonylContact O-C 3.6Å; Y414-Y429 WeakPolarHBondContact O-CA 3.49Å; Y414-Y429 WeakPolarHBondContact O-CB 3.47Å; Y414-F430 AromaticContact CD2-CD2 3.95Å; Y414-F430 HydrophobicContact CD2-CD2 3.95Å; Y414-F430 AromaticContact CD2-CE2 3.31Å; Y414-F430 HydrophobicContact CD2-CE2 3.31Å; Y414-F430 AromaticContact CD2-CZ 3.71Å; Y414-F430 HydrophobicContact CD2-CZ 3.71Å; Y414-F430 HydrophobicContact CE2-CE2 4.06Å; Y414-F430 HydrophobicContact CG-CD2 4.5Å; Y414-F430 HydrophobicContact CG-CE1 4.33Å; Y414-F430 AromaticContact CG-CE2 3.79Å; Y414-F430 HydrophobicContact CG-CE2 3.79Å; Y414-F430 AromaticContact CG-CZ 3.68Å; Y414-F430 HydrophobicContact CG-CZ 3.68Å; Y414-F430 PolarHBondContact N-O 3.32Å; Y414-F430 PolarHBondContact O-N 3.42Å; Y414-K432 HydrophobicContact CE2-CB 4.17Å; Y414-K432 HydrophobicContact CE2-CD 4.2Å; Y414-F463 AromaticContact CD1-CE1 3.91Å; Y414-F463 HydrophobicContact CD1-CE1 3.91Å; Y414-L467 HydrophobicContact CD1-CD1 3.81Å; Y414-L467 HydrophobicContact CD2-CD1 4.12Å; Y414-L467 HydrophobicContact CE1-CD1 3.46Å; Y414-L467 VanDerWaalsContact CE1-CD1 3.46Å; Y414-L467 HydrophobicContact CE1-CD2 4.21Å; Y414-L467 HydrophobicContact CE1-CG 4.49Å; Y414-L467 HydrophobicContact CE2-CD1 3.81Å; Y414-L467 HydrophobicContact CG-CD1 4.1Å; Y414-L467 VanDerWaalsContact CZ-CD1 3.45Å
415	V	98.8	Very high	95.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	111.3	-168.9	-177	0	0	0	0	109.7	P363 V376 F377 V379 Y387 L391 F413 T417 L426	P363-V415 HydrophobicContact CB-CB 4.35Å; P363-V415 HydrophobicContact CB-CG1 4.18Å; P363-V415 HydrophobicContact CG-CB 4.2Å; P363-V415 HydrophobicContact CG-CG1 3.62Å; V376-V415 WeakPolarHBondContact CA-O 3.48Å; F377-V415 PolarHBondContact N-O 3.37Å; F377-V415 PolarHBondContact O-N 3.49Å; V379-V415 HydrophobicContact CG2-CB 4.43Å; V379-V415 HydrophobicContact CG2-CG2 3.76Å; Y387-V415 HydrophobicContact CE1-CG2 4.35Å; L391-V415 HydrophobicContact CD2-CG2 3.89Å; F413-V415 HydrophobicContact CB-CG2 4.3Å; V415-T417 HydrophobicContact CG1-CG2 4.46Å; V415-L426 HydrophobicContact CG1-CD1 3.46Å; V415-L426 VanDerWaalsContact CG1-CD1 3.46Å
416	M	98.7	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136	178.3	-175.5	174.4	-72.4	0	0	110.8	I374 S375 V376 V427 G428 F456 M459 L460 I568	I374-M416 HydrophobicContact CG2-CG 4.31Å; I374-M416 HydrophobicContact CG2-SD 4.47Å; S375-M416 WeakPolarHBondContact O-CA 3.47Å; V376-M416 HydrophobicContact CG2-CB 4.38Å; V376-M416 HydrophobicContact CG2-CE 3.96Å; V376-M416 HydrophobicContact CG2-CG 4.42Å; M416-V427 HydrophobicContact CG-CB 4.43Å; M416-V427 HydrophobicContact CG-CG1 4.5Å; M416-V427 PolarHBondContact O-N 3.08Å; M416-V427 HydrophobicContact SD-CG1 4.49Å; M416-G428 PolarHBondContact N-O 3.42Å; M416-G428 PolarHBondContact O-N 3.44Å; M416-F456 HydrophobicContact SD-CD1 4.23Å; M416-M459 HydrophobicContact CE-CB 3.82Å; M416-M459 HydrophobicContact SD-CB 4.19Å; M416-L460 HydrophobicContact CB-CD2 3.7Å; M416-L460 HydrophobicContact CB-CG 4.37Å; M416-L460 HydrophobicContact CE-CD2 4Å; M416-L460 HydrophobicContact CE-CG 3.98Å; M416-L460 HydrophobicContact SD-CD2 4.32Å; M416-L460 HydrophobicContact SD-CG 4.07Å; M416-I568 HydrophobicContact CE-CD1 4.18Å
417	T	98.4	Very high	96.7	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.4	179.2	58.6	0	0	0	0	112.5	P363 I374 S375 F377 V415 C424 H425	P363-T417 HydrophobicContact CG-CG2 3.66Å; I374-T417 WeakPolarHBondContact CA-O 3.5Å; S375-T417 PolarHBondContact N-O 3.02Å; S375-T417 PolarHBondContact O-N 3.02Å; F377-T417 HydrophobicContact CD2-CG2 4.43Å; F377-T417 HydrophobicContact CE2-CG2 4.45Å; V415-T417 HydrophobicContact CG1-CG2 4.46Å; T417-C424 HydrophobicContact CG2-CB 4.29Å; T417-H425 WeakPolarHBondContact CA-O 3.42Å; T417-H425 WeakPolarHBondContact CB-O 3.48Å; T417-H425 WeakPolarHBondContact CG2-O 3.16Å
418	E	97.1	Very high	96.9	Very high	49 Å²	49	28.9 Å²	28.9	23%	0.229	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.2	167.8	-175.3	162	-110.9	0	0	107.9	S373 I374 H425 V427 K566	S373-E418 CarbonylContact O-C 3.59Å; S373-E418 WeakPolarHBondContact O-CA 3.19Å; I374-E418 HydrophobicContact CD1-CB 3.91Å; I374-E418 HydrophobicContact CD1-CG 3.84Å; I374-E418 WeakPolarHBondContact CD1-OE1 3.43Å; E418-H425 PolarHBondContact N-O 3.35Å; E418-H425 VanDerWaalsContact N-O 3.1Å; E418-H425 PolarHBondContact O-CD2 2.99Å; E418-H425 PolarHBondContact O-N 2.96Å; E418-V427 HydrophobicContact CB-CG2 3.68Å; E418-K566 IonicContact OE1-NZ 3.14Å; E418-K566 PolarHBondContact OE1-NZ 2.82Å
419	A	96.3	Very high	97	Very high	26 Å²	26	28.9 Å²	28.9	22%	0.215	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134	-175.2	0	0	0	0	0	112.2	S373 G423	S373-A419 WeakPolarHBondContact CB-O 3.43Å; S373-A419 WeakPolarHBondContact O-CB 3.45Å; S373-A419 PolarHBondContact O-N 2.38Å; A419-G423 WeakPolarHBondContact CA-O 3.25Å
420	D	95.1	Very high	97.1	Very high	65 Å²	65	25.8 Å²	25.8	35%	0.348	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	-172	167.1	85.6	15.1	0	0	0	111.2	R314 T422 G423 H425	R314-D420 IonicContact NH1-OD2 2.66Å; D420-T422 PolarHBondContact O-N 2.82Å; D420-T422 WeakPolarHBondContact OD1-CA 3.3Å; D420-T422 WeakPolarHBondContact OD1-CB 3.35Å; D420-T422 PolarHBondContact OD1-N 3.35Å; D420-T422 PolarHBondContact OD1-OG1 3.15Å; D420-G423 PolarHBondContact N-O 3.06Å; D420-G423 PolarHBondContact O-N 3.23Å; D420-H425 VanDerWaalsContact CG-NE2 3.32Å; D420-H425 IonicContact OD1-NE2 2.66Å; D420-H425 PolarHBondContact OD1-NE2 3.5Å; D420-H425 VanDerWaalsContact OD1-NE2 3.1Å; D420-H425 IonicContact OD2-NE2 3.9Å
421	N	94.1	Very high	97.2	Very high	175 Å²	175	22.6 Å²	22.6	94%	0.936	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-10.1	-177.4	-60.7	-6.9	0	0	0	114.2
422	T	91.6	Very high	97.2	Very high	76 Å²	76	22.4 Å²	22.4	47%	0.466	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-21.8	-175.1	74.3	0	0	0	0	114.1	K361 D420 H425	K361-T422 PolarHBondContact NZ-O 2Å; D420-T422 PolarHBondContact O-N 2.82Å; D420-T422 WeakPolarHBondContact OD1-CA 3.3Å; D420-T422 WeakPolarHBondContact OD1-CB 3.35Å; D420-T422 PolarHBondContact OD1-N 3.35Å; D420-T422 PolarHBondContact OD1-OG1 3.15Å; T422-H425 PolarHBondContact OG1-CE1 3.15Å; T422-H425 PolarHBondContact OG1-NE2 3.01Å; T422-H425 VanDerWaalsContact OG1-NE2 3.1Å
423	G	95	Very high	97.1	Very high	12 Å²	12	24.6 Å²	24.6	12%	0.124	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-166	179.1	0	0	0	0	0	113.9	K361 A419 D420	K361-G423 CarbonylContact O-C 3.55Å; K361-G423 WeakPolarHBondContact O-CA 3.2Å; A419-G423 WeakPolarHBondContact CA-O 3.25Å; D420-G423 PolarHBondContact N-O 3.06Å; D420-G423 PolarHBondContact O-N 3.23Å
424	C	97.2	Very high	96.8	Very high	15 Å²	15	27.1 Å²	27.1	10%	0.101	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	108.5	172.6	-61.6	0	0	0	0	109.6	K361 H362 T417	K361-C424 PolarHBondContact O-N 3.5Å; H362-C424 HydrophobicContact CB-CB 3.82Å; T417-C424 HydrophobicContact CG2-CB 4.29Å
425	H	97.9	Very high	96.4	Very high	13 Å²	13	31.6 Å²	31.6	6%	0.06	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	138.8	-171.8	-57.6	-87.4	0	0	0	111.8	E339 T417 E418 D420 T422 V427	E339-H425 IonicContact OE2-CE1 2.95Å; E339-H425 IonicContact OE2-CG 2.71Å; E339-H425 IonicContact OE2-ND1 3.19Å; E339-H425 PolarHBondContact OE2-ND1 3.15Å; T417-H425 WeakPolarHBondContact CA-O 3.42Å; T417-H425 WeakPolarHBondContact CB-O 3.48Å; T417-H425 WeakPolarHBondContact CG2-O 3.16Å; E418-H425 PolarHBondContact N-O 3.35Å; E418-H425 VanDerWaalsContact N-O 3.1Å; E418-H425 PolarHBondContact O-CD2 2.99Å; E418-H425 PolarHBondContact O-N 2.96Å; D420-H425 VanDerWaalsContact CG-NE2 3.32Å; D420-H425 IonicContact OD1-NE2 2.66Å; D420-H425 PolarHBondContact OD1-NE2 3.5Å; D420-H425 VanDerWaalsContact OD1-NE2 3.1Å; D420-H425 IonicContact OD2-NE2 3.9Å; T422-H425 PolarHBondContact OG1-CE1 3.15Å; T422-H425 PolarHBondContact OG1-NE2 3.01Å; T422-H425 VanDerWaalsContact OG1-NE2 3.1Å; H425-V427 PolarHBondContact O-N 2.97Å; H425-V427 VanDerWaalsContact O-N 3.13Å
426	L	98.4	Very high	96	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	112.4	178	178.3	64.1	0	0	0	111.5	F312 L342 L391 L394 V415 M448 Y451	F312-L426 HydrophobicContact CE1-CB 4.11Å; F312-L426 HydrophobicContact CE2-CD2 4.38Å; F312-L426 HydrophobicContact CZ-CB 3.81Å; F312-L426 HydrophobicContact CZ-CD2 3.81Å; F312-L426 HydrophobicContact CZ-CG 4.37Å; L342-L426 HydrophobicContact CD2-CD2 3.95Å; L391-L426 HydrophobicContact CD1-CD2 4.22Å; L394-L426 HydrophobicContact CD2-CD2 3.97Å; V415-L426 HydrophobicContact CG1-CD1 3.46Å; V415-L426 VanDerWaalsContact CG1-CD1 3.46Å; L426-M448 HydrophobicContact CD2-CG 4.22Å; L426-M448 HydrophobicContact CD2-SD 4.08Å; L426-M448 HydrophobicContact CG-CG 4.08Å; L426-Y451 WeakPolarHBondContact O-CE2 3.17Å
427	V	97.8	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-40.7	172.4	168.4	0	0	0	0	110.9	M416 E418 H425 M448 Y451 F456	M416-V427 HydrophobicContact CG-CB 4.43Å; M416-V427 HydrophobicContact CG-CG1 4.5Å; M416-V427 PolarHBondContact O-N 3.08Å; M416-V427 HydrophobicContact SD-CG1 4.49Å; E418-V427 HydrophobicContact CB-CG2 3.68Å; H425-V427 PolarHBondContact O-N 2.97Å; H425-V427 VanDerWaalsContact O-N 3.13Å; V427-M448 WeakPolarHBondContact O-CB 3.33Å; V427-M448 PolarHBondContact O-N 2.78Å; V427-Y451 HydrophobicContact CB-CD2 4.26Å; V427-Y451 HydrophobicContact CG1-CD2 4.38Å; V427-Y451 HydrophobicContact CG1-CG 4.23Å; V427-Y451 HydrophobicContact CG2-CD2 4.21Å; V427-Y451 HydrophobicContact CG2-CE1 4.45Å; V427-Y451 HydrophobicContact CG2-CE2 4.14Å; V427-Y451 HydrophobicContact CG2-CG 4.4Å; V427-F456 HydrophobicContact CG1-CB 3.6Å; V427-F456 HydrophobicContact CG1-CD1 3.43Å; V427-F456 VanDerWaalsContact CG1-CD1 3.43Å; V427-F456 HydrophobicContact CG1-CD2 3.92Å; V427-F456 HydrophobicContact CG1-CE1 3.83Å; V427-F456 HydrophobicContact CG1-CE2 4.33Å; V427-F456 HydrophobicContact CG1-CG 3.41Å; V427-F456 VanDerWaalsContact CG1-CG 3.41Å; V427-F456 HydrophobicContact CG1-CZ 4.25Å; V427-F456 HydrophobicContact CG2-CE1 4.09Å; V427-F456 HydrophobicContact CG2-CZ 4.29Å
428	G	98.1	Very high	94.9	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-179.5	-175.6	0	0	0	0	0	111.3	M416 L446	M416-G428 PolarHBondContact N-O 3.42Å; M416-G428 PolarHBondContact O-N 3.44Å; G428-L446 CarbonylContact C-O 3.58Å; G428-L446 WeakPolarHBondContact CA-O 3.1Å
429	Y	98.7	Very high	94.7	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	168.4	178.7	85.6	-71.1	0	0	0	111.5	L391 A395 F413 Y414 I445 L446	L391-Y429 HydrophobicContact CD1-CD1 3.82Å; L391-Y429 HydrophobicContact CD1-CE1 4.09Å; L391-Y429 HydrophobicContact CD1-CG 4.16Å; L391-Y429 HydrophobicContact CD2-CD1 4.36Å; L391-Y429 HydrophobicContact CD2-CD2 3.82Å; L391-Y429 HydrophobicContact CD2-CE2 4.24Å; L391-Y429 HydrophobicContact CD2-CG 3.9Å; L391-Y429 HydrophobicContact CG-CD1 4.2Å; L391-Y429 HydrophobicContact CG-CD2 4.29Å; L391-Y429 HydrophobicContact CG-CE1 4.24Å; L391-Y429 HydrophobicContact CG-CE2 4.34Å; L391-Y429 HydrophobicContact CG-CG 4.24Å; A395-Y429 HydrophobicContact CB-CE1 3.59Å; A395-Y429 VanDerWaalsContact CB-OH 3.26Å; A395-Y429 WeakPolarHBondContact CB-OH 3.26Å; F413-Y429 AromaticContact CD1-CD2 3.89Å; F413-Y429 HydrophobicContact CD1-CD2 3.89Å; F413-Y429 AromaticContact CD1-CE2 3.69Å; F413-Y429 HydrophobicContact CD1-CE2 3.69Å; F413-Y429 HydrophobicContact CE1-CE2 4.14Å; Y414-Y429 CarbonylContact O-C 3.6Å; Y414-Y429 WeakPolarHBondContact O-CA 3.49Å; Y414-Y429 WeakPolarHBondContact O-CB 3.47Å; Y429-I445 WeakPolarHBondContact O-CA 3.37Å; Y429-L446 HydrophobicContact CD1-CB 4.14Å; Y429-L446 HydrophobicContact CE1-CB 3.9Å; Y429-L446 HydrophobicContact CE1-CD2 4.37Å; Y429-L446 PolarHBondContact N-O 3.06Å; Y429-L446 PolarHBondContact O-N 3.38Å
430	F	98.6	Very high	94.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151.4	152.9	64.4	-91.2	0	0	0	111.4	Y414 V442 C444 I445 L460 F463 S464 L467	Y414-F430 AromaticContact CD2-CD2 3.95Å; Y414-F430 HydrophobicContact CD2-CD2 3.95Å; Y414-F430 AromaticContact CD2-CE2 3.31Å; Y414-F430 HydrophobicContact CD2-CE2 3.31Å; Y414-F430 AromaticContact CD2-CZ 3.71Å; Y414-F430 HydrophobicContact CD2-CZ 3.71Å; Y414-F430 HydrophobicContact CE2-CE2 4.06Å; Y414-F430 HydrophobicContact CG-CD2 4.5Å; Y414-F430 HydrophobicContact CG-CE1 4.33Å; Y414-F430 AromaticContact CG-CE2 3.79Å; Y414-F430 HydrophobicContact CG-CE2 3.79Å; Y414-F430 AromaticContact CG-CZ 3.68Å; Y414-F430 HydrophobicContact CG-CZ 3.68Å; Y414-F430 PolarHBondContact N-O 3.32Å; Y414-F430 PolarHBondContact O-N 3.42Å; F430-V442 HydrophobicContact CB-CG1 4.15Å; F430-V442 HydrophobicContact CB-CG2 4.41Å; F430-V442 HydrophobicContact CD2-CG2 3.86Å; F430-V442 HydrophobicContact CE2-CG2 4.35Å; F430-V442 HydrophobicContact CG-CG2 4.18Å; F430-C444 CarbonylContact C-O 3.37Å; F430-C444 WeakPolarHBondContact CA-O 3.44Å; F430-C444 VanDerWaalsContact CB-O 3.24Å; F430-C444 WeakPolarHBondContact CB-O 3.41Å; F430-I445 HydrophobicContact CB-CB 3.94Å; F430-I445 HydrophobicContact CB-CD1 4.46Å; F430-I445 HydrophobicContact CB-CG1 4.1Å; F430-L460 HydrophobicContact CD1-CB 4.49Å; F430-L460 HydrophobicContact CD1-CD2 4.01Å; F430-L460 WeakPolarHBondContact CE1-O 3.48Å; F430-F463 HydrophobicContact CE1-CB 4.46Å; F430-F463 AromaticContact CE1-CD1 3.91Å; F430-F463 HydrophobicContact CE1-CD1 3.91Å; F430-F463 AromaticContact CZ-CD1 3.95Å; F430-F463 HydrophobicContact CZ-CD1 3.95Å; F430-S464 VanDerWaalsContact CZ-CB 3.49Å; F430-L467 HydrophobicContact CE2-CD1 4.23Å; F430-L467 HydrophobicContact CZ-CD1 3.83Å
431	S	98.1	Very high	94.8	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.014	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	145.4	169	54.9	0	0	0	0	110.7	L412 S443 C444	L412-S431 CarbonylContact O-C 3.58Å; L412-S431 VanDerWaalsContact O-CA 3.29Å; L412-S431 WeakPolarHBondContact O-CA 3.25Å; S431-S443 PolarHBondContact O-N 3.11Å; S431-C444 PolarHBondContact N-O 3.15Å
432	K	96.9	Very high	94.9	Very high	16 Å²	16	39.4 Å²	39.4	7%	0.07	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.7	-179.4	-178.6	-176.9	-179.8	-179.3	0	109	F411 L412 Y414 N441 E471	F411-K432 WeakPolarHBondContact CA-O 3.25Å; L412-K432 PolarHBondContact N-O 3.34Å; L412-K432 PolarHBondContact O-N 3.37Å; Y414-K432 HydrophobicContact CE2-CB 4.17Å; Y414-K432 HydrophobicContact CE2-CD 4.2Å; K432-N441 WeakPolarHBondContact CG-O 3.42Å; K432-E471 IonicContact NZ-OE1 3.17Å; K432-E471 PolarHBondContact NZ-OE1 3.49Å; K432-E471 IonicContact NZ-OE2 3.75Å; K432-E471 PolarHBondContact NZ-OE2 3.4Å
433	E	94.8	Very high	95.1	Very high	57 Å²	57	36.6 Å²	36.6	27%	0.266	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	138.3	169.4	-62.7	-179.9	123.6	0	0	109.9	F411 N435 S436	F411-E433 HydrophobicContact CD1-CG 4.18Å; F411-E433 HydrophobicContact CE1-CG 3.63Å; F411-E433 HydrophobicContact CZ-CG 4.36Å; E433-N435 VanDerWaalsContact C-N 3.29Å; E433-N435 PolarHBondContact O-N 2.81Å; E433-S436 VanDerWaalsContact OE2-CA 3.31Å; E433-S436 WeakPolarHBondContact OE2-CA 3.43Å; E433-S436 WeakPolarHBondContact OE2-CB 3.44Å; E433-S436 PolarHBondContact OE2-OG 3.41Å
434	K	93.1	Very high	95.2	Very high	54 Å²	54	37.2 Å²	37.2	24%	0.235	19%	0.186	C	C	.	.	S	Bend	trans	-61	-41.8	173.9	-72	165	-178	172.3	0	111.6	D380 E409 P410 F411 L412 T581	D380-K434 VanDerWaalsContact CG-NZ 3.32Å; D380-K434 IonicContact OD1-NZ 3.23Å; D380-K434 PolarHBondContact OD1-NZ 3.29Å; D380-K434 IonicContact OD2-NZ 3.74Å; D380-K434 PolarHBondContact OD2-NZ 3.07Å; E409-K434 PolarHBondContact O-NZ 2.66Å; P410-K434 WeakPolarHBondContact O-CB 3.49Å; P410-K434 WeakPolarHBondContact O-CG 3.43Å; P410-K434 PolarHBondContact O-N 2.91Å; F411-K434 WeakPolarHBondContact O-CE 3.18Å; L412-K434 HydrophobicContact CD1-CG 4.45Å; L412-K434 HydrophobicContact CD2-CG 4.25Å; L412-K434 HydrophobicContact CG-CG 3.87Å; K434-T581 WeakPolarHBondContact O-CG2 2.86Å
435	N	90.4	Very high	95.3	Very high	95 Å²	95	37.8 Å²	37.8	51%	0.508	19%	0.188	S	C	.	.	S	Bend	trans	-128.6	80.2	-176.5	-63.6	-1.6	0	0	0	110	E433 F437	E433-N435 VanDerWaalsContact C-N 3.29Å; E433-N435 PolarHBondContact O-N 2.81Å; N435-F437 PolarHBondContact O-N 3.04Å
436	S	89.6	Confident	95.3	Very high	22 Å²	22	37.9 Å²	37.9	15%	0.154	19%	0.189	C	C	.	.			trans	-85.2	109	-179.4	-165.5	0	0	0	0	112.6	E433 L438 N439 Y440	E433-S436 VanDerWaalsContact OE2-CA 3.31Å; E433-S436 WeakPolarHBondContact OE2-CA 3.43Å; E433-S436 WeakPolarHBondContact OE2-CB 3.44Å; E433-S436 PolarHBondContact OE2-OG 3.41Å; S436-L438 PolarHBondContact O-N 2.97Å; S436-L438 VanDerWaalsContact O-N 3.13Å; S436-N439 PolarHBondContact O-N 3.48Å; S436-N439 VanDerWaalsContact O-N 3.08Å; S436-Y440 PolarHBondContact OG-N 3.35Å; S436-Y440 VanDerWaalsContact OG-N 3.13Å
437	F	86.6	Confident	95.2	Very high	196 Å²	196	38.6 Å²	38.6	86%	0.86	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.7	177.9	-62.9	-79.2	0	0	0	114.3	N435	N435-F437 PolarHBondContact O-N 3.04Å
438	L	88.6	Confident	95.2	Very high	116 Å²	116	38.8 Å²	38.8	61%	0.607	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	5.9	179.8	-63.2	175.1	0	0	0	112.8	S436 Y440	S436-L438 PolarHBondContact O-N 2.97Å; S436-L438 VanDerWaalsContact O-N 3.13Å; L438-Y440 VanDerWaalsContact C-N 3.32Å; L438-Y440 HydrophobicContact CB-CD2 4.05Å; L438-Y440 HydrophobicContact CB-CE1 4.24Å; L438-Y440 HydrophobicContact CB-CE2 3.77Å; L438-Y440 HydrophobicContact CB-CG 4.41Å; L438-Y440 HydrophobicContact CD1-CE2 3.62Å; L438-Y440 HydrophobicContact CG-CE2 4.32Å
439	N	91.9	Very high	95.1	Very high	87 Å²	87	40.2 Å²	40.2	47%	0.465	20%	0.203	S	C	.	.			trans	56.5	41.2	-174	-56.4	-84.3	0	0	0	113	S436 N441	S436-N439 PolarHBondContact O-N 3.48Å; S436-N439 VanDerWaalsContact O-N 3.08Å; N439-N441 PolarHBondContact O-N 3.1Å
440	Y	96.1	Very high	95	Very high	55 Å²	55	41.5 Å²	41.5	22%	0.216	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	122	169.5	-62.1	-40.2	0	0	0	110.2	S436 L438 S476 E478	S436-Y440 PolarHBondContact OG-N 3.35Å; S436-Y440 VanDerWaalsContact OG-N 3.13Å; L438-Y440 VanDerWaalsContact C-N 3.32Å; L438-Y440 HydrophobicContact CB-CD2 4.05Å; L438-Y440 HydrophobicContact CB-CE1 4.24Å; L438-Y440 HydrophobicContact CB-CE2 3.77Å; L438-Y440 HydrophobicContact CB-CG 4.41Å; L438-Y440 HydrophobicContact CD1-CE2 3.62Å; L438-Y440 HydrophobicContact CG-CE2 4.32Å; Y440-S476 VanDerWaalsContact CA-O 3.29Å; Y440-S476 WeakPolarHBondContact CA-O 3.47Å; Y440-S476 WeakPolarHBondContact CD1-O 3.48Å; Y440-E478 HydrophobicContact CD2-CB 3.88Å; Y440-E478 HydrophobicContact CD2-CG 3.87Å; Y440-E478 HydrophobicContact CE2-CB 4.21Å; Y440-E478 HydrophobicContact CE2-CG 3.87Å; Y440-E478 HydrophobicContact CG-CB 4.07Å
441	N	96.7	Very high	94.8	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-9.9	175	69.2	-19	0	0	0	112.9	K432 N439 S464 S468 S476	K432-N441 WeakPolarHBondContact CG-O 3.42Å; N439-N441 PolarHBondContact O-N 3.1Å; N441-S464 PolarHBondContact ND2-O 2.6Å; N441-S468 VanDerWaalsContact CB-OG 3.24Å; N441-S468 WeakPolarHBondContact CB-OG 3.44Å; N441-S468 PolarHBondContact ND2-OG 2.9Å; N441-S468 VanDerWaalsContact ND2-OG 3.1Å; N441-S476 PolarHBondContact N-O 3.43Å; N441-S476 PolarHBondContact OD1-O 3.43Å
442	V	97.9	Very high	94.6	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	124.7	176.1	172.9	0	0	0	0	109.5	F430 I445 S464 P477 E478 Y489	F430-V442 HydrophobicContact CB-CG1 4.15Å; F430-V442 HydrophobicContact CB-CG2 4.41Å; F430-V442 HydrophobicContact CD2-CG2 3.86Å; F430-V442 HydrophobicContact CE2-CG2 4.35Å; F430-V442 HydrophobicContact CG-CG2 4.18Å; V442-I445 HydrophobicContact CG1-CB 3.83Å; V442-I445 HydrophobicContact CG1-CG2 4.02Å; V442-S464 VanDerWaalsContact CG2-CB 3.43Å; V442-S464 WeakPolarHBondContact CG2-OG 3.35Å; V442-P477 HydrophobicContact CB-CB 4.39Å; V442-P477 WeakPolarHBondContact O-CA 3.38Å; V442-E478 WeakPolarHBondContact O-CB 3.35Å; V442-E478 PolarHBondContact O-N 3.36Å; V442-Y489 WeakPolarHBondContact CG2-OH 3.44Å
443	S	95.8	Very high	94.2	Very high	16 Å²	16	55.2 Å²	55.2	11%	0.112	26%	0.263	C	S	.	.	S	Bend	trans	-94.4	-42.6	171.4	-70.2	0	0	0	0	113	S431 E478	S431-S443 PolarHBondContact O-N 3.11Å; S443-E478 WeakPolarHBondContact CA-OE2 3.3Å; S443-E478 WeakPolarHBondContact CB-OE2 3.43Å; S443-E478 PolarHBondContact OG-OE2 3.01Å
444	C	96.8	Very high	94.1	Very high	25 Å²	25	57.3 Å²	57.3	17%	0.169	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	142.7	173.9	-67.8	0	0	0	0	108.2	L399 F430 S431	L399-C444 HydrophobicContact CD1-CB 4.15Å; F430-C444 CarbonylContact C-O 3.37Å; F430-C444 WeakPolarHBondContact CA-O 3.44Å; F430-C444 VanDerWaalsContact CB-O 3.24Å; F430-C444 WeakPolarHBondContact CB-O 3.41Å; S431-C444 PolarHBondContact N-O 3.15Å
445	I	98.1	Very high	94	Very high	28 Å²	28	56.2 Å²	56.2	14%	0.144	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.7	175.9	-179.7	165.7	0	0	0	109.5	Y429 F430 V442 L460 I461 Y489	Y429-I445 WeakPolarHBondContact O-CA 3.37Å; F430-I445 HydrophobicContact CB-CB 3.94Å; F430-I445 HydrophobicContact CB-CD1 4.46Å; F430-I445 HydrophobicContact CB-CG1 4.1Å; V442-I445 HydrophobicContact CG1-CB 3.83Å; V442-I445 HydrophobicContact CG1-CG2 4.02Å; I445-L460 HydrophobicContact CD1-CB 3.78Å; I445-L460 HydrophobicContact CG1-CB 4.37Å; I445-I461 HydrophobicContact CD1-CG1 3.67Å; I445-Y489 HydrophobicContact CG2-CE2 4.24Å
446	L	97.8	Very high	94.3	Very high	14 Å²	14	51.7 Å²	51.7	7%	0.073	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	136.6	-179.6	180	62.5	0	0	0	110.6	A395 F398 L399 G428 Y429 M448	A395-L446 HydrophobicContact CB-CD2 3.92Å; F398-L446 HydrophobicContact CB-CD1 3.75Å; F398-L446 HydrophobicContact CB-CD2 4.14Å; F398-L446 HydrophobicContact CD2-CD2 4.1Å; L399-L446 HydrophobicContact CD1-CB 4.41Å; L399-L446 HydrophobicContact CD2-CD1 4.45Å; G428-L446 CarbonylContact C-O 3.58Å; G428-L446 WeakPolarHBondContact CA-O 3.1Å; Y429-L446 HydrophobicContact CD1-CB 4.14Å; Y429-L446 HydrophobicContact CE1-CB 3.9Å; Y429-L446 HydrophobicContact CE1-CD2 4.37Å; Y429-L446 PolarHBondContact N-O 3.06Å; Y429-L446 PolarHBondContact O-N 3.38Å; L446-M448 HydrophobicContact CD2-SD 4.48Å
447	T	97.9	Very high	94.6	Very high	20 Å²	20	51.5 Å²	51.5	12%	0.123	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.9	158.5	-52.4	0	0	0	0	107	Y451 F456 G457	T447-Y451 WeakPolarHBondContact CG2-O 3.37Å; T447-F456 HydrophobicContact CG2-CB 4.09Å; T447-G457 VanDerWaalsContact OG1-CA 3.27Å; T447-G457 WeakPolarHBondContact OG1-CA 3.29Å; T447-G457 PolarHBondContact OG1-N 3.28Å
448	M	97.6	Very high	95	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	22%	0.223	C	C	.	.			trans	-61.1	145.5	179.5	-66.3	-67.1	-68	0	0	110.3	F312 L317 L394 F398 L426 V427 L446 Q450 Y451 M452	F312-M448 HydrophobicContact CD1-CE 4.27Å; F312-M448 HydrophobicContact CD2-CE 4.3Å; F312-M448 HydrophobicContact CE1-CE 4.39Å; F312-M448 HydrophobicContact CE2-CE 4.43Å; F312-M448 HydrophobicContact CG-CE 4.25Å; F312-M448 HydrophobicContact CZ-CE 4.48Å; L317-M448 HydrophobicContact CD1-CE 4.02Å; L394-M448 HydrophobicContact CD1-CE 4.29Å; L394-M448 HydrophobicContact CD2-CE 4.19Å; L394-M448 HydrophobicContact CD2-SD 4.3Å; L394-M448 HydrophobicContact CG-CE 4.44Å; F398-M448 HydrophobicContact CE2-CE 4.43Å; L426-M448 HydrophobicContact CD2-CG 4.22Å; L426-M448 HydrophobicContact CD2-SD 4.08Å; L426-M448 HydrophobicContact CG-CG 4.08Å; V427-M448 WeakPolarHBondContact O-CB 3.33Å; V427-M448 PolarHBondContact O-N 2.78Å; L446-M448 HydrophobicContact CD2-SD 4.48Å; M448-Q450 VanDerWaalsContact C-N 3.29Å; M448-Q450 PolarHBondContact O-N 3.2Å; M448-Q450 VanDerWaalsContact O-N 3.12Å; M448-Y451 HydrophobicContact CB-CD2 4.24Å; M448-Y451 PolarHBondContact O-N 3.29Å; M448-M452 PolarHBondContact O-N 2.96Å
449	P	96.3	Very high	95.3	Very high	31 Å²	31	39 Å²	39	20%	0.201	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-52	-41.9	-169.4	-28.2	33.6	0	0	0	114.8	L317 W320 F398 Y451 M452	L317-P449 HydrophobicContact CD2-CB 4.32Å; W320-P449 HydrophobicContact CZ2-CB 4.49Å; W320-P449 HydrophobicContact CZ2-CG 4.3Å; F398-P449 HydrophobicContact CD1-CG 3.73Å; F398-P449 HydrophobicContact CE1-CG 3.46Å; F398-P449 VanDerWaalsContact CE1-CG 3.46Å; F398-P449 HydrophobicContact CG-CG 4.38Å; F398-P449 HydrophobicContact CZ-CG 3.9Å; P449-Y451 PolarHBondContact O-N 2.8Å; P449-Y451 VanDerWaalsContact O-N 3.16Å; P449-M452 HydrophobicContact CB-SD 4.47Å; P449-M452 WeakPolarHBondContact O-CB 3.38Å; P449-M452 PolarHBondContact O-N 3.22Å
450	Q	95.1	Very high	95.6	Very high	30 Å²	30	34.9 Å²	34.9	14%	0.14	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-66.7	-12.2	179.8	73.5	-79.1	11.7	0	0	114.9	Y315 L317 M448 Q454	Y315-Q450 HydrophobicContact CD1-CB 3.78Å; Y315-Q450 HydrophobicContact CD1-CG 3.93Å; Y315-Q450 HydrophobicContact CD2-CG 3.92Å; Y315-Q450 HydrophobicContact CE1-CB 3.86Å; Y315-Q450 HydrophobicContact CE1-CG 3.9Å; Y315-Q450 HydrophobicContact CE2-CG 3.9Å; Y315-Q450 HydrophobicContact CG-CB 4.21Å; Y315-Q450 HydrophobicContact CG-CG 3.94Å; L317-Q450 HydrophobicContact CD2-CB 4.32Å; M448-Q450 VanDerWaalsContact C-N 3.29Å; M448-Q450 PolarHBondContact O-N 3.2Å; M448-Q450 VanDerWaalsContact O-N 3.12Å; Q450-Q454 PolarHBondContact O-NE2 3.24Å
451	Y	95.9	Very high	95.7	Very high	13 Å²	13	32.5 Å²	32.5	5%	0.051	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-113.5	3.5	177.8	-63.8	-65	0	0	0	113.1	L426 V427 T447 M448 P449 F456	L426-Y451 WeakPolarHBondContact O-CE2 3.17Å; V427-Y451 HydrophobicContact CB-CD2 4.26Å; V427-Y451 HydrophobicContact CG1-CD2 4.38Å; V427-Y451 HydrophobicContact CG1-CG 4.23Å; V427-Y451 HydrophobicContact CG2-CD2 4.21Å; V427-Y451 HydrophobicContact CG2-CE1 4.45Å; V427-Y451 HydrophobicContact CG2-CE2 4.14Å; V427-Y451 HydrophobicContact CG2-CG 4.4Å; T447-Y451 WeakPolarHBondContact CG2-O 3.37Å; M448-Y451 HydrophobicContact CB-CD2 4.24Å; M448-Y451 PolarHBondContact O-N 3.29Å; P449-Y451 PolarHBondContact O-N 2.8Å; P449-Y451 VanDerWaalsContact O-N 3.16Å; Y451-F456 HydrophobicContact CD1-CD2 4.33Å; Y451-F456 AromaticContact CD1-CE2 3.69Å; Y451-F456 HydrophobicContact CD1-CE2 3.69Å; Y451-F456 HydrophobicContact CD1-CZ 4.22Å; Y451-F456 HydrophobicContact CG-CD2 4.46Å; Y451-F456 HydrophobicContact CG-CE2 4.24Å
452	M	92.9	Very high	95.8	Very high	52 Å²	52	33.5 Å²	33.5	26%	0.256	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	152.4	179	-71.2	-179.3	74.6	0	0	112.7	W320 M448 P449 Q454 L484	W320-M452 HydrophobicContact CH2-CE 3.9Å; W320-M452 HydrophobicContact CH2-SD 3.59Å; W320-M452 VanDerWaalsContact CH2-SD 3.59Å; W320-M452 HydrophobicContact CZ2-SD 4Å; M448-M452 PolarHBondContact O-N 2.96Å; P449-M452 HydrophobicContact CB-SD 4.47Å; P449-M452 WeakPolarHBondContact O-CB 3.38Å; P449-M452 PolarHBondContact O-N 3.22Å; M452-Q454 PolarHBondContact O-N 2.73Å; M452-L484 HydrophobicContact CE-CD1 3.69Å; M452-L484 HydrophobicContact CE-CD2 4.42Å
453	R	88.8	Confident	95.8	Very high	240 Å²	240	33.4 Å²	33.4	91%	0.906	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	-4.4	179.6	-56.6	-178.7	178.4	-178.7	0.1	115.9	G455	R453-G455 VanDerWaalsContact C-N 3.26Å; R453-G455 PolarHBondContact O-N 3.46Å
454	Q	91.9	Very high	95.9	Very high	102 Å²	102	32.7 Å²	32.7	48%	0.477	16%	0.163	S	C	.	.	S	Bend	trans	-84	13.6	178	-63.9	160.6	33.5	0	0	114.2	Q450 M452 F456	Q450-Q454 PolarHBondContact O-NE2 3.24Å; M452-Q454 PolarHBondContact O-N 2.73Å; Q454-F456 HydrophobicContact CB-CD2 3.92Å; Q454-F456 HydrophobicContact CB-CE2 4.1Å; Q454-F456 PolarHBondContact O-N 2.89Å
455	G	92	Very high	96	Very high	30 Å²	30	31.5 Å²	31.5	31%	0.309	16%	0.155	S	C	.	.	S	Bend	trans	91.9	-21.9	178.7	0	0	0	0	0	115.8	R453 G457 K458 M459	R453-G455 VanDerWaalsContact C-N 3.26Å; R453-G455 PolarHBondContact O-N 3.46Å; G455-G457 VanDerWaalsContact C-N 3.3Å; G455-G457 PolarHBondContact O-N 3.25Å; G455-K458 WeakPolarHBondContact O-CA 3.41Å; G455-K458 VanDerWaalsContact O-CB 3.3Å; G455-K458 WeakPolarHBondContact O-CB 3.43Å; G455-K458 PolarHBondContact O-N 3.34Å; G455-M459 PolarHBondContact O-N 3.22Å; G455-M459 VanDerWaalsContact O-N 3.13Å
456	F	95.7	Very high	96	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-55.2	-38.8	-179.2	-64.5	-75.7	0	0	0	114.5	I374 M416 V427 T447 Y451 Q454 K458 M459 L460 K566	I374-F456 HydrophobicContact CD1-CE1 3.89Å; M416-F456 HydrophobicContact SD-CD1 4.23Å; V427-F456 HydrophobicContact CG1-CB 3.6Å; V427-F456 HydrophobicContact CG1-CD1 3.43Å; V427-F456 VanDerWaalsContact CG1-CD1 3.43Å; V427-F456 HydrophobicContact CG1-CD2 3.92Å; V427-F456 HydrophobicContact CG1-CE1 3.83Å; V427-F456 HydrophobicContact CG1-CE2 4.33Å; V427-F456 HydrophobicContact CG1-CG 3.41Å; V427-F456 VanDerWaalsContact CG1-CG 3.41Å; V427-F456 HydrophobicContact CG1-CZ 4.25Å; V427-F456 HydrophobicContact CG2-CE1 4.09Å; V427-F456 HydrophobicContact CG2-CZ 4.29Å; T447-F456 HydrophobicContact CG2-CB 4.09Å; Y451-F456 HydrophobicContact CD1-CD2 4.33Å; Y451-F456 AromaticContact CD1-CE2 3.69Å; Y451-F456 HydrophobicContact CD1-CE2 3.69Å; Y451-F456 HydrophobicContact CD1-CZ 4.22Å; Y451-F456 HydrophobicContact CG-CD2 4.46Å; Y451-F456 HydrophobicContact CG-CE2 4.24Å; Q454-F456 HydrophobicContact CB-CD2 3.92Å; Q454-F456 HydrophobicContact CB-CE2 4.1Å; Q454-F456 PolarHBondContact O-N 2.89Å; F456-K458 VanDerWaalsContact C-N 3.25Å; F456-K458 PolarHBondContact O-N 3.21Å; F456-M459 HydrophobicContact CD1-SD 4.2Å; F456-M459 WeakPolarHBondContact O-CA 3.43Å; F456-M459 WeakPolarHBondContact O-CB 3.33Å; F456-M459 PolarHBondContact O-N 3.32Å; F456-L460 PolarHBondContact O-N 3.42Å; F456-K566 HydrophobicContact CD1-CD 4.43Å; F456-K566 HydrophobicContact CE1-CD 4.14Å; F456-K566 HydrophobicContact CZ-CD 4.44Å
457	G	95.6	Very high	95.9	Very high	17 Å²	17	30.5 Å²	30.5	18%	0.175	15%	0.15	C	C	.	.	H	α-helix	trans	-60.9	-32.4	174.7	0	0	0	0	0	113.6	T447 G455 I461	T447-G457 VanDerWaalsContact OG1-CA 3.27Å; T447-G457 WeakPolarHBondContact OG1-CA 3.29Å; T447-G457 PolarHBondContact OG1-N 3.28Å; G455-G457 VanDerWaalsContact C-N 3.3Å; G455-G457 PolarHBondContact O-N 3.25Å; G457-I461 WeakPolarHBondContact O-CG1 3.5Å; G457-I461 PolarHBondContact O-N 3.2Å
458	K	94.9	Very high	95.9	Very high	48 Å²	48	29.6 Å²	29.6	21%	0.209	14%	0.144	C	C	.	.	H	α-helix	trans	-70.8	-42	170.9	-176.6	-165.1	163.1	-174.6	0	110.7	G455 F456 L460 I461 D462 Y492 E495	G455-K458 WeakPolarHBondContact O-CA 3.41Å; G455-K458 VanDerWaalsContact O-CB 3.3Å; G455-K458 WeakPolarHBondContact O-CB 3.43Å; G455-K458 PolarHBondContact O-N 3.34Å; F456-K458 VanDerWaalsContact C-N 3.25Å; F456-K458 PolarHBondContact O-N 3.21Å; K458-L460 VanDerWaalsContact C-N 3.33Å; K458-L460 PolarHBondContact O-N 3.35Å; K458-I461 PolarHBondContact O-N 3.41Å; K458-D462 WeakPolarHBondContact O-CB 3.28Å; K458-D462 PolarHBondContact O-N 2.72Å; K458-Y492 HydrophobicContact CG-CD2 4.05Å; K458-E495 WeakPolarHBondContact CE-OE1 3.38Å; K458-E495 WeakPolarHBondContact CE-OE2 3.37Å; K458-E495 IonicContact NZ-OE1 3.19Å; K458-E495 PolarHBondContact NZ-OE1 3.42Å; K458-E495 IonicContact NZ-OE2 3.12Å; K458-E495 PolarHBondContact NZ-OE2 2.89Å
459	M	96.6	Very high	95.8	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-39.3	177.2	-62.1	178.3	71.5	0	0	112.2	I374 M416 G455 F456 D462 F463 K566 I568	I374-M459 HydrophobicContact CG2-CE 4.03Å; M416-M459 HydrophobicContact CE-CB 3.82Å; M416-M459 HydrophobicContact SD-CB 4.19Å; G455-M459 PolarHBondContact O-N 3.22Å; G455-M459 VanDerWaalsContact O-N 3.13Å; F456-M459 HydrophobicContact CD1-SD 4.2Å; F456-M459 WeakPolarHBondContact O-CA 3.43Å; F456-M459 WeakPolarHBondContact O-CB 3.33Å; F456-M459 PolarHBondContact O-N 3.32Å; M459-D462 PolarHBondContact O-N 3.07Å; M459-F463 VanDerWaalsContact O-CB 3.31Å; M459-F463 WeakPolarHBondContact O-CB 3.37Å; M459-F463 PolarHBondContact O-N 3.34Å; M459-K566 HydrophobicContact CG-CB 4.42Å; M459-K566 WeakPolarHBondContact CG-O 3.32Å; M459-K566 VanDerWaalsContact SD-C 3.56Å; M459-K566 WeakPolarHBondContact SD-CA 3.3Å; M459-K566 HydrophobicContact SD-CB 3.68Å; M459-K566 HydrophobicContact SD-CD 3.87Å; M459-K566 HydrophobicContact SD-CG 4.36Å; M459-I568 HydrophobicContact CB-CD1 4.01Å; M459-I568 HydrophobicContact CB-CG1 4.16Å; M459-I568 HydrophobicContact CE-CD1 3.92Å; M459-I568 VanDerWaalsContact O-CG1 3.32Å; M459-I568 WeakPolarHBondContact O-CG1 3.49Å
460	L	98.2	Very high	95.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-40.3	174.8	-76.8	161.4	0	0	0	112.3	M416 F430 I445 F456 K458 S464	M416-L460 HydrophobicContact CB-CD2 3.7Å; M416-L460 HydrophobicContact CB-CG 4.37Å; M416-L460 HydrophobicContact CE-CD2 4Å; M416-L460 HydrophobicContact CE-CG 3.98Å; M416-L460 HydrophobicContact SD-CD2 4.32Å; M416-L460 HydrophobicContact SD-CG 4.07Å; F430-L460 HydrophobicContact CD1-CB 4.49Å; F430-L460 HydrophobicContact CD1-CD2 4.01Å; F430-L460 WeakPolarHBondContact CE1-O 3.48Å; I445-L460 HydrophobicContact CD1-CB 3.78Å; I445-L460 HydrophobicContact CG1-CB 4.37Å; F456-L460 PolarHBondContact O-N 3.42Å; K458-L460 VanDerWaalsContact C-N 3.33Å; K458-L460 PolarHBondContact O-N 3.35Å; L460-S464 PolarHBondContact O-N 2.78Å; L460-S464 VanDerWaalsContact O-N 3.08Å
461	I	98.2	Very high	95.8	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-68.5	-43.8	174.8	-64.9	168.5	0	0	0	111	I445 G457 K458 F463 S464 Y465 Y489 Y492	I445-I461 HydrophobicContact CD1-CG1 3.67Å; G457-I461 WeakPolarHBondContact O-CG1 3.5Å; G457-I461 PolarHBondContact O-N 3.2Å; K458-I461 PolarHBondContact O-N 3.41Å; I461-F463 VanDerWaalsContact C-N 3.26Å; I461-F463 PolarHBondContact O-N 2.93Å; I461-S464 PolarHBondContact O-N 3.35Å; I461-S464 PolarHBondContact O-OG 3.41Å; I461-Y465 HydrophobicContact CG2-CD2 3.89Å; I461-Y465 HydrophobicContact CG2-CE2 3.88Å; I461-Y465 WeakPolarHBondContact O-CD2 3.28Å; I461-Y465 PolarHBondContact O-N 3.03Å; I461-Y465 VanDerWaalsContact O-N 3.13Å; I461-Y489 HydrophobicContact CB-CE1 4.38Å; I461-Y489 HydrophobicContact CD1-CD1 4.21Å; I461-Y489 HydrophobicContact CD1-CD2 4.07Å; I461-Y489 HydrophobicContact CD1-CE1 4.24Å; I461-Y489 HydrophobicContact CD1-CE2 4.09Å; I461-Y489 HydrophobicContact CD1-CG 4.11Å; I461-Y489 HydrophobicContact CG1-CD1 4.43Å; I461-Y489 HydrophobicContact CG1-CE1 3.98Å; I461-Y489 HydrophobicContact CG1-CE2 4.17Å; I461-Y489 HydrophobicContact CG2-CD1 3.87Å; I461-Y489 HydrophobicContact CG2-CE1 3.58Å; I461-Y492 HydrophobicContact CB-CD2 4.48Å; I461-Y492 HydrophobicContact CB-CG 4.45Å; I461-Y492 HydrophobicContact CG2-CD1 3.5Å; I461-Y492 HydrophobicContact CG2-CD2 3.94Å; I461-Y492 HydrophobicContact CG2-CE1 3.87Å; I461-Y492 HydrophobicContact CG2-CE2 4.26Å; I461-Y492 HydrophobicContact CG2-CG 3.55Å
462	D	97.5	Very high	95.8	Very high	24 Å²	24	42.9 Å²	42.9	13%	0.128	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-36.4	178.3	-150.9	22.8	0	0	0	111.1	K458 M459 L466 Y492 I568	K458-D462 WeakPolarHBondContact O-CB 3.28Å; K458-D462 PolarHBondContact O-N 2.72Å; M459-D462 PolarHBondContact O-N 3.07Å; D462-L466 WeakPolarHBondContact O-CB 3.33Å; D462-L466 PolarHBondContact O-N 2.7Å; D462-Y492 HydrophobicContact CB-CE2 3.71Å; D462-Y492 VanDerWaalsContact OD1-CE2 3.23Å; D462-Y492 WeakPolarHBondContact OD1-CE2 3.37Å; D462-Y492 PolarHBondContact OD1-OH 2.97Å; D462-I568 HydrophobicContact CB-CB 4.31Å; D462-I568 HydrophobicContact CB-CG1 3.97Å
463	F	98.3	Very high	95.8	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-68.8	-41.6	174.5	-164.2	-95.4	0	0	0	112.8	V368 Y369 V376 Y414 F430 M459 I461 Y465 L466 L467 I568 L573	V368-F463 HydrophobicContact CG2-CZ 4.1Å; Y369-F463 HydrophobicContact CD2-CD2 4.33Å; Y369-F463 AromaticContact CD2-CE2 3.76Å; Y369-F463 HydrophobicContact CD2-CE2 3.76Å; Y369-F463 HydrophobicContact CG-CD2 4.48Å; Y369-F463 AromaticContact CG-CE2 3.8Å; Y369-F463 HydrophobicContact CG-CE2 3.8Å; V376-F463 HydrophobicContact CB-CE1 4.12Å; V376-F463 HydrophobicContact CB-CE2 4.28Å; V376-F463 HydrophobicContact CB-CZ 3.93Å; V376-F463 HydrophobicContact CG1-CD1 4.17Å; V376-F463 HydrophobicContact CG1-CE1 3.74Å; V376-F463 HydrophobicContact CG1-CZ 4.06Å; V376-F463 HydrophobicContact CG2-CD1 4.41Å; V376-F463 HydrophobicContact CG2-CD2 4.13Å; V376-F463 HydrophobicContact CG2-CE1 4.34Å; V376-F463 HydrophobicContact CG2-CE2 4.05Å; V376-F463 HydrophobicContact CG2-CG 4.31Å; V376-F463 HydrophobicContact CG2-CZ 4.16Å; Y414-F463 AromaticContact CD1-CE1 3.91Å; Y414-F463 HydrophobicContact CD1-CE1 3.91Å; F430-F463 HydrophobicContact CE1-CB 4.46Å; F430-F463 AromaticContact CE1-CD1 3.91Å; F430-F463 HydrophobicContact CE1-CD1 3.91Å; F430-F463 AromaticContact CZ-CD1 3.95Å; F430-F463 HydrophobicContact CZ-CD1 3.95Å; M459-F463 VanDerWaalsContact O-CB 3.31Å; M459-F463 WeakPolarHBondContact O-CB 3.37Å; M459-F463 PolarHBondContact O-N 3.34Å; I461-F463 VanDerWaalsContact C-N 3.26Å; I461-F463 PolarHBondContact O-N 2.93Å; F463-Y465 VanDerWaalsContact C-N 3.3Å; F463-Y465 PolarHBondContact O-N 2.9Å; F463-L466 WeakPolarHBondContact O-CB 3.5Å; F463-L466 PolarHBondContact O-N 3.42Å; F463-L467 HydrophobicContact CD1-CD1 4.12Å; F463-L467 HydrophobicContact CD1-CG 4.21Å; F463-L467 HydrophobicContact CE1-CD1 3.92Å; F463-L467 HydrophobicContact CE1-CD2 4.01Å; F463-L467 HydrophobicContact CE1-CG 3.97Å; F463-L467 HydrophobicContact CZ-CD2 4.28Å; F463-L467 WeakPolarHBondContact O-CG 3.27Å; F463-L467 PolarHBondContact O-N 3.34Å; F463-I568 HydrophobicContact CB-CD1 4.24Å; F463-I568 HydrophobicContact CB-CG1 4.2Å; F463-I568 HydrophobicContact CD2-CD1 4.13Å; F463-I568 HydrophobicContact CD2-CG2 4.11Å; F463-L573 HydrophobicContact CE2-CD1 3.64Å; F463-L573 HydrophobicContact CZ-CD1 3.56Å
464	S	98.3	Very high	96.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-33.5	178.1	73	0	0	0	0	112.6	F430 N441 V442 L460 I461 S468	F430-S464 VanDerWaalsContact CZ-CB 3.49Å; N441-S464 PolarHBondContact ND2-O 2.6Å; V442-S464 VanDerWaalsContact CG2-CB 3.43Å; V442-S464 WeakPolarHBondContact CG2-OG 3.35Å; L460-S464 PolarHBondContact O-N 2.78Å; L460-S464 VanDerWaalsContact O-N 3.08Å; I461-S464 PolarHBondContact O-N 3.35Å; I461-S464 PolarHBondContact O-OG 3.41Å; S464-S468 PolarHBondContact O-N 3.5Å; S464-S468 PolarHBondContact O-OG 3.3Å
465	Y	98.2	Very high	96.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-74.1	-35.1	170.4	-78.1	-65.8	0	0	0	113.3	I461 F463 L467 S468 K469 G475 Y489 Y492 W493 A519 V520	I461-Y465 HydrophobicContact CG2-CD2 3.89Å; I461-Y465 HydrophobicContact CG2-CE2 3.88Å; I461-Y465 WeakPolarHBondContact O-CD2 3.28Å; I461-Y465 PolarHBondContact O-N 3.03Å; I461-Y465 VanDerWaalsContact O-N 3.13Å; F463-Y465 VanDerWaalsContact C-N 3.3Å; F463-Y465 PolarHBondContact O-N 2.9Å; Y465-L467 VanDerWaalsContact C-N 3.34Å; Y465-L467 PolarHBondContact O-N 3.49Å; Y465-S468 PolarHBondContact O-N 3.33Å; Y465-K469 WeakPolarHBondContact O-CG 3.3Å; Y465-K469 PolarHBondContact O-N 3.39Å; Y465-G475 WeakPolarHBondContact CE1-O 3.42Å; Y465-G475 PolarHBondContact OH-O 3.46Å; Y465-Y489 HydrophobicContact CE2-CD1 4.36Å; Y465-Y489 HydrophobicContact CE2-CE1 4.01Å; Y465-Y492 HydrophobicContact CD2-CD1 4.07Å; Y465-Y492 AromaticContact CD2-CE1 3.31Å; Y465-Y492 HydrophobicContact CD2-CE1 3.31Å; Y465-Y492 AromaticContact CD2-CZ 3.91Å; Y465-Y492 HydrophobicContact CE2-CD1 4.02Å; Y465-Y492 AromaticContact CE2-CE1 3.67Å; Y465-Y492 HydrophobicContact CE2-CE1 3.67Å; Y465-Y492 HydrophobicContact CG-CE1 4.17Å; Y465-W493 AromaticContact CE2-NE1 3.79Å; Y465-W493 AromaticContact CZ-NE1 3.69Å; Y465-W493 PolarHBondContact OH-NE1 3.18Å; Y465-A519 HydrophobicContact CD1-CB 4.27Å; Y465-A519 WeakPolarHBondContact CE1-O 3.44Å; Y465-V520 HydrophobicContact CD1-CG2 4.15Å; Y465-V520 HydrophobicContact CE1-CB 4.28Å; Y465-V520 HydrophobicContact CE1-CG2 3.85Å; Y465-V520 HydrophobicContact CE2-CG2 4.45Å
466	L	97.8	Very high	96.6	Very high	19 Å²	19	27.9 Å²	27.9	10%	0.099	14%	0.141	C	C	.	.	H	α-helix	trans	-59.2	-43.9	172.9	177.9	62.4	0	0	0	111.7	D462 F463 S468 K469 V470 I568 P570 L573	D462-L466 WeakPolarHBondContact O-CB 3.33Å; D462-L466 PolarHBondContact O-N 2.7Å; F463-L466 WeakPolarHBondContact O-CB 3.5Å; F463-L466 PolarHBondContact O-N 3.42Å; L466-S468 PolarHBondContact O-N 3.43Å; L466-K469 PolarHBondContact O-N 2.9Å; L466-V470 WeakPolarHBondContact O-CG2 3.46Å; L466-V470 PolarHBondContact O-N 3.37Å; L466-V470 VanDerWaalsContact O-N 3.17Å; L466-I568 HydrophobicContact CD2-CG2 3.59Å; L466-P570 HydrophobicContact CD1-CB 4Å; L466-P570 HydrophobicContact CD1-CG 4.11Å; L466-L573 HydrophobicContact CD2-CB 4.24Å; L466-L573 HydrophobicContact CD2-CD2 4.02Å; L466-L573 HydrophobicContact CG-CD2 4.03Å
467	L	97.2	Very high	96.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-58.5	-47.3	173.3	-64.9	174.8	0	0	0	111.4	Y414 F430 F463 Y465 K469 V470 E471 L573 W575	Y414-L467 HydrophobicContact CD1-CD1 3.81Å; Y414-L467 HydrophobicContact CD2-CD1 4.12Å; Y414-L467 HydrophobicContact CE1-CD1 3.46Å; Y414-L467 VanDerWaalsContact CE1-CD1 3.46Å; Y414-L467 HydrophobicContact CE1-CD2 4.21Å; Y414-L467 HydrophobicContact CE1-CG 4.49Å; Y414-L467 HydrophobicContact CE2-CD1 3.81Å; Y414-L467 HydrophobicContact CG-CD1 4.1Å; Y414-L467 VanDerWaalsContact CZ-CD1 3.45Å; F430-L467 HydrophobicContact CE2-CD1 4.23Å; F430-L467 HydrophobicContact CZ-CD1 3.83Å; F463-L467 HydrophobicContact CD1-CD1 4.12Å; F463-L467 HydrophobicContact CD1-CG 4.21Å; F463-L467 HydrophobicContact CE1-CD1 3.92Å; F463-L467 HydrophobicContact CE1-CD2 4.01Å; F463-L467 HydrophobicContact CE1-CG 3.97Å; F463-L467 HydrophobicContact CZ-CD2 4.28Å; F463-L467 WeakPolarHBondContact O-CG 3.27Å; F463-L467 PolarHBondContact O-N 3.34Å; Y465-L467 VanDerWaalsContact C-N 3.34Å; Y465-L467 PolarHBondContact O-N 3.49Å; L467-K469 VanDerWaalsContact C-N 3.29Å; L467-K469 PolarHBondContact O-N 3.27Å; L467-V470 CarbonylContact O-C 3.58Å; L467-V470 PolarHBondContact O-N 2.93Å; L467-E471 WeakPolarHBondContact O-CG 3.39Å; L467-E471 PolarHBondContact O-N 3.04Å; L467-L573 HydrophobicContact CD2-CD1 4.4Å; L467-W575 HydrophobicContact CB-CZ3 4.46Å; L467-W575 HydrophobicContact CD2-CD2 3.64Å; L467-W575 HydrophobicContact CD2-CE3 3.7Å; L467-W575 HydrophobicContact CD2-CG 4.14Å; L467-W575 HydrophobicContact CD2-CH2 4.22Å; L467-W575 HydrophobicContact CD2-CZ2 4.16Å; L467-W575 HydrophobicContact CD2-CZ3 4Å
468	S	96.7	Very high	96.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-35.9	178.6	-63.8	0	0	0	0	113.2	N441 S464 Y465 L466 E471 E472 K473	N441-S468 VanDerWaalsContact CB-OG 3.24Å; N441-S468 WeakPolarHBondContact CB-OG 3.44Å; N441-S468 PolarHBondContact ND2-OG 2.9Å; N441-S468 VanDerWaalsContact ND2-OG 3.1Å; S464-S468 PolarHBondContact O-N 3.5Å; S464-S468 PolarHBondContact O-OG 3.3Å; Y465-S468 PolarHBondContact O-N 3.33Å; L466-S468 PolarHBondContact O-N 3.43Å; S468-E471 PolarHBondContact O-N 3.15Å; S468-E472 PolarHBondContact O-N 2.97Å; S468-K473 CarbonylContact C-O 3.58Å; S468-K473 WeakPolarHBondContact CB-O 3.43Å; S468-K473 PolarHBondContact O-N 3.45Å
469	K	96.4	Very high	96.3	Very high	94 Å²	94	34.4 Å²	34.4	41%	0.409	16%	0.162	S	C	.	.	H	α-helix	trans	-63.4	-42.3	172.2	-67	-179.7	-169.6	-149.1	0	112.5	Y465 L466 L467 E471 E472 E517 T518 A519	Y465-K469 WeakPolarHBondContact O-CG 3.3Å; Y465-K469 PolarHBondContact O-N 3.39Å; L466-K469 PolarHBondContact O-N 2.9Å; L467-K469 VanDerWaalsContact C-N 3.29Å; L467-K469 PolarHBondContact O-N 3.27Å; K469-E471 VanDerWaalsContact C-N 3.26Å; K469-E471 PolarHBondContact O-N 3.24Å; K469-E472 PolarHBondContact O-N 2.92Å; K469-E472 VanDerWaalsContact O-N 3.14Å; K469-E517 WeakPolarHBondContact CE-O 3.27Å; K469-E517 PolarHBondContact NZ-O 3.35Å; K469-T518 VanDerWaalsContact CE-O 3.31Å; K469-T518 WeakPolarHBondContact CE-O 3.46Å; K469-A519 HydrophobicContact CG-CB 3.63Å
470	V	96.4	Very high	95.9	Very high	60 Å²	60	38.7 Å²	38.7	36%	0.364	19%	0.19	S	C	.	.	H	α-helix	trans	-72.4	-20.5	178	178.4	0	0	0	0	112.2	L466 L467 L573 W575	L466-V470 WeakPolarHBondContact O-CG2 3.46Å; L466-V470 PolarHBondContact O-N 3.37Å; L466-V470 VanDerWaalsContact O-N 3.17Å; L467-V470 CarbonylContact O-C 3.58Å; L467-V470 PolarHBondContact O-N 2.93Å; V470-L573 HydrophobicContact CG2-CD2 3.96Å; V470-W575 HydrophobicContact CB-CE3 4.16Å; V470-W575 HydrophobicContact CB-CZ3 4.05Å; V470-W575 HydrophobicContact CG1-CE3 3.77Å; V470-W575 HydrophobicContact CG1-CZ3 3.88Å
471	E	94.6	Very high	95.2	Very high	27 Å²	27	40.6 Å²	40.6	13%	0.126	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.3	169.5	-68.5	173.7	150.7	0	0	114.2	K432 L467 S468 K469 K473 W575 P577	K432-E471 IonicContact NZ-OE1 3.17Å; K432-E471 PolarHBondContact NZ-OE1 3.49Å; K432-E471 IonicContact NZ-OE2 3.75Å; K432-E471 PolarHBondContact NZ-OE2 3.4Å; L467-E471 WeakPolarHBondContact O-CG 3.39Å; L467-E471 PolarHBondContact O-N 3.04Å; S468-E471 PolarHBondContact O-N 3.15Å; K469-E471 VanDerWaalsContact C-N 3.26Å; K469-E471 PolarHBondContact O-N 3.24Å; E471-K473 HydrophobicContact CB-CB 4.09Å; E471-K473 HydrophobicContact CB-CD 4.06Å; E471-K473 HydrophobicContact CB-CG 4.12Å; E471-K473 WeakPolarHBondContact O-CG 3.28Å; E471-K473 PolarHBondContact O-N 2.9Å; E471-W575 HydrophobicContact CG-CH2 3.6Å; E471-W575 HydrophobicContact CG-CZ3 3.91Å; E471-P577 HydrophobicContact CG-CB 4.33Å; E471-P577 HydrophobicContact CG-CG 4.04Å
472	E	95.1	Very high	94.7	Very high	175 Å²	175	42.5 Å²	42.5	82%	0.818	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	27.6	-168.3	-55.7	-174.7	162.6	0	0	113.4	S468 K469	S468-E472 PolarHBondContact O-N 2.97Å; K469-E472 PolarHBondContact O-N 2.92Å; K469-E472 VanDerWaalsContact O-N 3.14Å
473	K	94.6	Very high	94.2	Very high	64 Å²	64	47.5 Å²	47.5	28%	0.278	24%	0.24	S	C	.	.			trans	-112.6	149.2	-176.9	-71.4	172.7	-166.5	174.4	0	111.3	S468 E471 T581	S468-K473 CarbonylContact C-O 3.58Å; S468-K473 WeakPolarHBondContact CB-O 3.43Å; S468-K473 PolarHBondContact O-N 3.45Å; E471-K473 HydrophobicContact CB-CB 4.09Å; E471-K473 HydrophobicContact CB-CD 4.06Å; E471-K473 HydrophobicContact CB-CG 4.12Å; E471-K473 WeakPolarHBondContact O-CG 3.28Å; E471-K473 PolarHBondContact O-N 2.9Å; K473-T581 PolarHBondContact NZ-O 3.06Å; K473-T581 PolarHBondContact NZ-OXT 3.04Å
474	V	96.1	Very high	93.8	Very high	38 Å²	38	51 Å²	51	23%	0.23	26%	0.259	C	S	.	.			trans	-96.1	135.7	172.5	-60.7	0	0	0	0	110.3	S515	V474-S515 WeakPolarHBondContact CG1-OG 3.46Å
475	G	95.7	Very high	93.4	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.01	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-121.8	152.6	-171.5	0	0	0	0	0	114.7	Y465 A519 N521	Y465-G475 WeakPolarHBondContact CE1-O 3.42Å; Y465-G475 PolarHBondContact OH-O 3.46Å; G475-A519 PolarHBondContact N-O 2.83Å; G475-N521 WeakPolarHBondContact O-CB 3.45Å; G475-N521 PolarHBondContact O-N 2.92Å
476	S	96.6	Very high	93.2	Very high	6 Å²	6	54 Å²	54	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.8	165.5	-166.9	0	0	0	0	107.7	Y440 N441 D524	Y440-S476 VanDerWaalsContact CA-O 3.29Å; Y440-S476 WeakPolarHBondContact CA-O 3.47Å; Y440-S476 WeakPolarHBondContact CD1-O 3.48Å; N441-S476 PolarHBondContact N-O 3.43Å; N441-S476 PolarHBondContact OD1-O 3.43Å; S476-D524 WeakPolarHBondContact CB-OD2 3.43Å; S476-D524 PolarHBondContact OG-OD2 2.99Å
477	P	96.9	Very high	92.9	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	148.6	167.7	28.7	-35.6	0	0	0	112.1	V442 L481 Y489 W493	V442-P477 HydrophobicContact CB-CB 4.39Å; V442-P477 WeakPolarHBondContact O-CA 3.38Å; P477-L481 HydrophobicContact CB-CD2 3.87Å; P477-L481 HydrophobicContact CB-CG 4.46Å; P477-L481 HydrophobicContact CG-CD1 3.92Å; P477-L481 HydrophobicContact CG-CD2 4.08Å; P477-L481 HydrophobicContact CG-CG 4.28Å; P477-Y489 HydrophobicContact CB-CE1 4.23Å; P477-Y489 HydrophobicContact CB-CE2 3.86Å; P477-Y489 HydrophobicContact CG-CD1 4.04Å; P477-Y489 HydrophobicContact CG-CD2 4.06Å; P477-Y489 HydrophobicContact CG-CE1 3.82Å; P477-Y489 HydrophobicContact CG-CE2 3.86Å; P477-Y489 HydrophobicContact CG-CG 4.17Å; P477-W493 HydrophobicContact CG-CZ2 4.43Å
478	E	92.4	Very high	92.8	Very high	68 Å²	68	60.9 Å²	60.9	32%	0.318	32%	0.316	S	S	.	.			trans	-56.5	154.2	167.8	-168.6	177.2	146.9	0	0	111.2	Y440 V442 S443	Y440-E478 HydrophobicContact CD2-CB 3.88Å; Y440-E478 HydrophobicContact CD2-CG 3.87Å; Y440-E478 HydrophobicContact CE2-CB 4.21Å; Y440-E478 HydrophobicContact CE2-CG 3.87Å; Y440-E478 HydrophobicContact CG-CB 4.07Å; V442-E478 WeakPolarHBondContact O-CB 3.35Å; V442-E478 PolarHBondContact O-N 3.36Å; S443-E478 WeakPolarHBondContact CA-OE2 3.3Å; S443-E478 WeakPolarHBondContact CB-OE2 3.43Å; S443-E478 PolarHBondContact OG-OE2 3.01Å
479	R	89.8	Confident	92.9	Very high	135 Å²	135	60.9 Å²	60.9	51%	0.509	32%	0.316	S	S	.	.	S	Bend	trans	-127.1	139.3	-174.5	-59.4	-179.2	-172.4	-168.3	-3	109.8	D524	R479-D524 IonicContact CZ-OD1 2.7Å; R479-D524 IonicContact NH2-OD1 2.6Å; R479-D524 PolarHBondContact NH2-OD1 3.34Å; R479-D524 IonicContact NH2-OD2 2.72Å
480	P	89.6	Confident	92.8	Very high	92 Å²	92	63 Å²	63	60%	0.597	32%	0.322	S	S	*	.	S	Bend	cis	-80.2	135.9	11.2	30.7	-35.7	0	0	0	114.9	H401	H401-P480 HydrophobicContact CB-CG 4.06Å
481	L	83.5	Confident	92.7	Very high	40 Å²	40	63.5 Å²	63.5	21%	0.209	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-73.2	145.3	163.2	-78	174.1	0	0	0	110	P477 L486 Y489	P477-L481 HydrophobicContact CB-CD2 3.87Å; P477-L481 HydrophobicContact CB-CG 4.46Å; P477-L481 HydrophobicContact CG-CD1 3.92Å; P477-L481 HydrophobicContact CG-CD2 4.08Å; P477-L481 HydrophobicContact CG-CG 4.28Å; L481-L486 HydrophobicContact CB-CB 4.29Å; L481-L486 HydrophobicContact CD1-CB 4.41Å; L481-L486 HydrophobicContact CD1-CD1 4.21Å; L481-Y489 HydrophobicContact CD1-CD2 3.93Å; L481-Y489 HydrophobicContact CD1-CG 4.43Å; L481-Y489 HydrophobicContact CD2-CD2 3.92Å; L481-Y489 HydrophobicContact CD2-CE2 3.88Å
482	S	88.2	Confident	92.8	Very high	44 Å²	44	62.6 Å²	62.6	31%	0.308	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-67.8	156.6	163.7	63.7	0	0	0	0	111.1	L484 G485 L486	S482-L484 VanDerWaalsContact C-N 3.29Å; S482-L484 PolarHBondContact O-N 3.08Å; S482-G485 CarbonylContact O-C 3.18Å; S482-G485 WeakPolarHBondContact O-CA 3.29Å; S482-G485 PolarHBondContact O-N 2.65Å; S482-G485 PolarHBondContact OG-N 2.76Å; S482-L486 PolarHBondContact O-N 3.1Å
483	D	86.3	Confident	92.9	Very high	130 Å²	130	54.8 Å²	54.8	70%	0.695	29%	0.286	S	S	*	.	H	α-helix	trans	-53.9	-44.6	-179.2	-68	-33.3	0	0	0	112.8	G485 L486 I487	D483-G485 VanDerWaalsContact C-N 3.33Å; D483-G485 PolarHBondContact O-N 3.02Å; D483-L486 PolarHBondContact O-N 3.22Å; D483-I487 WeakPolarHBondContact O-CB 3.33Å; D483-I487 VanDerWaalsContact O-CG1 3.26Å; D483-I487 WeakPolarHBondContact O-CG1 3.32Å; D483-I487 PolarHBondContact O-N 2.72Å
484	L	88.8	Confident	92.9	Very high	75 Å²	75	54.4 Å²	54.4	39%	0.393	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-37.2	176.6	-69.7	166.4	0	0	0	112.3	W320 M452 S482 S488	W320-L484 HydrophobicContact CH2-CD1 4.42Å; W320-L484 HydrophobicContact CZ3-CD1 4.28Å; M452-L484 HydrophobicContact CE-CD1 3.69Å; M452-L484 HydrophobicContact CE-CD2 4.42Å; S482-L484 VanDerWaalsContact C-N 3.29Å; S482-L484 PolarHBondContact O-N 3.08Å; L484-S488 VanDerWaalsContact O-CB 3.3Å; L484-S488 WeakPolarHBondContact O-CB 3.44Å; L484-S488 PolarHBondContact O-N 3.4Å; L484-S488 VanDerWaalsContact O-N 3.1Å; L484-S488 PolarHBondContact O-OG 3.17Å
485	G	91.5	Very high	92.8	Very high	10 Å²	10	52.9 Å²	52.9	10%	0.103	28%	0.275	C	S	.	.	H	α-helix	trans	-64.7	-50.2	172.3	0	0	0	0	0	111.5	S482 D483 I487 S488 Y489	S482-G485 CarbonylContact O-C 3.18Å; S482-G485 WeakPolarHBondContact O-CA 3.29Å; S482-G485 PolarHBondContact O-N 2.65Å; S482-G485 PolarHBondContact OG-N 2.76Å; D483-G485 VanDerWaalsContact C-N 3.33Å; D483-G485 PolarHBondContact O-N 3.02Å; G485-I487 VanDerWaalsContact C-N 3.34Å; G485-I487 PolarHBondContact O-N 2.95Å; G485-S488 PolarHBondContact O-N 2.97Å; G485-S488 VanDerWaalsContact O-N 3.09Å; G485-Y489 WeakPolarHBondContact O-CD2 3.37Å; G485-Y489 PolarHBondContact O-N 2.91Å
486	L	92.2	Very high	92.8	Very high	53 Å²	53	53.4 Å²	53.4	28%	0.277	28%	0.278	S	S	.	.	H	α-helix	trans	-60.3	-40.5	179.4	-178.8	61.1	0	0	0	112.6	L481 S482 D483 R490	L481-L486 HydrophobicContact CB-CB 4.29Å; L481-L486 HydrophobicContact CD1-CB 4.41Å; L481-L486 HydrophobicContact CD1-CD1 4.21Å; S482-L486 PolarHBondContact O-N 3.1Å; D483-L486 PolarHBondContact O-N 3.22Å; L486-R490 HydrophobicContact CD1-CG 4.35Å; L486-R490 WeakPolarHBondContact O-CB 3.27Å; L486-R490 VanDerWaalsContact O-CG 3.27Å; L486-R490 WeakPolarHBondContact O-CG 3.41Å; L486-R490 PolarHBondContact O-N 3.23Å
487	I	93.1	Very high	92.7	Very high	113 Å²	113	53.4 Å²	53.4	58%	0.579	28%	0.277	S	S	*	.	H	α-helix	trans	-63.9	-43	174.2	-69.5	165.4	0	0	0	110.5	D483 G485 S491	D483-I487 WeakPolarHBondContact O-CB 3.33Å; D483-I487 VanDerWaalsContact O-CG1 3.26Å; D483-I487 WeakPolarHBondContact O-CG1 3.32Å; D483-I487 PolarHBondContact O-N 2.72Å; G485-I487 VanDerWaalsContact C-N 3.34Å; G485-I487 PolarHBondContact O-N 2.95Å; I487-S491 WeakPolarHBondContact O-CB 3.48Å; I487-S491 PolarHBondContact O-N 2.99Å
488	S	95.2	Very high	92.5	Very high	52 Å²	52	53.4 Å²	53.4	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-68	-46	-178.7	-60.9	0	0	0	0	112.2	L484 G485 S491 Y492	L484-S488 VanDerWaalsContact O-CB 3.3Å; L484-S488 WeakPolarHBondContact O-CB 3.44Å; L484-S488 PolarHBondContact O-N 3.4Å; L484-S488 VanDerWaalsContact O-N 3.1Å; L484-S488 PolarHBondContact O-OG 3.17Å; G485-S488 PolarHBondContact O-N 2.97Å; G485-S488 VanDerWaalsContact O-N 3.09Å; S488-S491 PolarHBondContact O-N 3.26Å; S488-Y492 WeakPolarHBondContact O-CB 3.4Å; S488-Y492 PolarHBondContact O-N 3.45Å
489	Y	97.1	Very high	92.6	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-44.8	174	-86	-76.5	0	0	0	112.2	V442 I445 I461 Y465 P477 L481 G485 S491 Y492 W493	V442-Y489 WeakPolarHBondContact CG2-OH 3.44Å; I445-Y489 HydrophobicContact CG2-CE2 4.24Å; I461-Y489 HydrophobicContact CB-CE1 4.38Å; I461-Y489 HydrophobicContact CD1-CD1 4.21Å; I461-Y489 HydrophobicContact CD1-CD2 4.07Å; I461-Y489 HydrophobicContact CD1-CE1 4.24Å; I461-Y489 HydrophobicContact CD1-CE2 4.09Å; I461-Y489 HydrophobicContact CD1-CG 4.11Å; I461-Y489 HydrophobicContact CG1-CD1 4.43Å; I461-Y489 HydrophobicContact CG1-CE1 3.98Å; I461-Y489 HydrophobicContact CG1-CE2 4.17Å; I461-Y489 HydrophobicContact CG2-CD1 3.87Å; I461-Y489 HydrophobicContact CG2-CE1 3.58Å; Y465-Y489 HydrophobicContact CE2-CD1 4.36Å; Y465-Y489 HydrophobicContact CE2-CE1 4.01Å; P477-Y489 HydrophobicContact CB-CE1 4.23Å; P477-Y489 HydrophobicContact CB-CE2 3.86Å; P477-Y489 HydrophobicContact CG-CD1 4.04Å; P477-Y489 HydrophobicContact CG-CD2 4.06Å; P477-Y489 HydrophobicContact CG-CE1 3.82Å; P477-Y489 HydrophobicContact CG-CE2 3.86Å; P477-Y489 HydrophobicContact CG-CG 4.17Å; L481-Y489 HydrophobicContact CD1-CD2 3.93Å; L481-Y489 HydrophobicContact CD1-CG 4.43Å; L481-Y489 HydrophobicContact CD2-CD2 3.92Å; L481-Y489 HydrophobicContact CD2-CE2 3.88Å; G485-Y489 WeakPolarHBondContact O-CD2 3.37Å; G485-Y489 PolarHBondContact O-N 2.91Å; Y489-S491 VanDerWaalsContact C-N 3.34Å; Y489-S491 PolarHBondContact O-N 2.83Å; Y489-Y492 PolarHBondContact O-N 2.81Å; Y489-W493 AromaticContact CD1-CE2 3.91Å; Y489-W493 AromaticContact CD1-CZ2 3.74Å; Y489-W493 HydrophobicContact CD1-CZ2 3.74Å; Y489-W493 HydrophobicContact CG-CZ2 4.13Å; Y489-W493 VanDerWaalsContact O-CD2 3.3Å; Y489-W493 VanDerWaalsContact O-CG 3.24Å; Y489-W493 PolarHBondContact O-N 3.38Å
490	R	95.4	Very high	92.7	Very high	140 Å²	140	48.3 Å²	48.3	53%	0.528	26%	0.255	S	S	.	.	H	α-helix	trans	-60.6	-40.8	174.9	-76.6	174.4	170.9	170.5	-0.9	112.7	L486 W493 K494	L486-R490 HydrophobicContact CD1-CG 4.35Å; L486-R490 WeakPolarHBondContact O-CB 3.27Å; L486-R490 VanDerWaalsContact O-CG 3.27Å; L486-R490 WeakPolarHBondContact O-CG 3.41Å; L486-R490 PolarHBondContact O-N 3.23Å; R490-W493 HydrophobicContact CG-CE3 4.48Å; R490-K494 PolarHBondContact O-N 3.38Å
491	S	94.4	Very high	92.8	Very high	70 Å²	70	44 Å²	44	49%	0.49	23%	0.227	S	C	.	.	H	α-helix	trans	-67.7	-35.6	175.8	-172	0	0	0	0	112.4	I487 S488 Y489 E495	I487-S491 WeakPolarHBondContact O-CB 3.48Å; I487-S491 PolarHBondContact O-N 2.99Å; S488-S491 PolarHBondContact O-N 3.26Å; Y489-S491 VanDerWaalsContact C-N 3.34Å; Y489-S491 PolarHBondContact O-N 2.83Å; S491-E495 PolarHBondContact O-N 3.13Å
492	Y	96	Very high	93.1	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-50.8	175.6	178	-97.3	0	0	0	111.3	K458 I461 D462 Y465 S488 Y489 K494 E495 V496	K458-Y492 HydrophobicContact CG-CD2 4.05Å; I461-Y492 HydrophobicContact CB-CD2 4.48Å; I461-Y492 HydrophobicContact CB-CG 4.45Å; I461-Y492 HydrophobicContact CG2-CD1 3.5Å; I461-Y492 HydrophobicContact CG2-CD2 3.94Å; I461-Y492 HydrophobicContact CG2-CE1 3.87Å; I461-Y492 HydrophobicContact CG2-CE2 4.26Å; I461-Y492 HydrophobicContact CG2-CG 3.55Å; D462-Y492 HydrophobicContact CB-CE2 3.71Å; D462-Y492 VanDerWaalsContact OD1-CE2 3.23Å; D462-Y492 WeakPolarHBondContact OD1-CE2 3.37Å; D462-Y492 PolarHBondContact OD1-OH 2.97Å; Y465-Y492 HydrophobicContact CD2-CD1 4.07Å; Y465-Y492 AromaticContact CD2-CE1 3.31Å; Y465-Y492 HydrophobicContact CD2-CE1 3.31Å; Y465-Y492 AromaticContact CD2-CZ 3.91Å; Y465-Y492 HydrophobicContact CE2-CD1 4.02Å; Y465-Y492 AromaticContact CE2-CE1 3.67Å; Y465-Y492 HydrophobicContact CE2-CE1 3.67Å; Y465-Y492 HydrophobicContact CG-CE1 4.17Å; S488-Y492 WeakPolarHBondContact O-CB 3.4Å; S488-Y492 PolarHBondContact O-N 3.45Å; Y489-Y492 PolarHBondContact O-N 2.81Å; Y492-K494 PolarHBondContact O-N 3.5Å; Y492-E495 WeakPolarHBondContact O-CB 3.38Å; Y492-E495 PolarHBondContact O-N 3.45Å; Y492-V496 HydrophobicContact CD1-CG2 4.11Å; Y492-V496 HydrophobicContact CD2-CG2 4.32Å; Y492-V496 HydrophobicContact CE1-CG2 3.6Å; Y492-V496 HydrophobicContact CE2-CG2 3.85Å; Y492-V496 HydrophobicContact CG-CG2 4.44Å; Y492-V496 VanDerWaalsContact CZ-CG2 3.46Å; Y492-V496 PolarHBondContact O-N 3.21Å
493	W	97.4	Very high	93.2	Very high	11 Å²	11	47.2 Å²	47.2	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-40	178.8	-59.9	-35.5	0	0	0	112.5	Y465 P477 Y489 R490 E495 V496 L497 V520 D524 T528	Y465-W493 AromaticContact CE2-NE1 3.79Å; Y465-W493 AromaticContact CZ-NE1 3.69Å; Y465-W493 PolarHBondContact OH-NE1 3.18Å; P477-W493 HydrophobicContact CG-CZ2 4.43Å; Y489-W493 AromaticContact CD1-CE2 3.91Å; Y489-W493 AromaticContact CD1-CZ2 3.74Å; Y489-W493 HydrophobicContact CD1-CZ2 3.74Å; Y489-W493 HydrophobicContact CG-CZ2 4.13Å; Y489-W493 VanDerWaalsContact O-CD2 3.3Å; Y489-W493 VanDerWaalsContact O-CG 3.24Å; Y489-W493 PolarHBondContact O-N 3.38Å; R490-W493 HydrophobicContact CG-CE3 4.48Å; W493-E495 VanDerWaalsContact C-N 3.25Å; W493-E495 PolarHBondContact O-N 3.27Å; W493-V496 PolarHBondContact O-N 3.44Å; W493-L497 WeakPolarHBondContact O-CB 3.42Å; W493-L497 VanDerWaalsContact O-CG 3.26Å; W493-L497 WeakPolarHBondContact O-CG 3.18Å; W493-L497 PolarHBondContact O-N 3.29Å; W493-V520 HydrophobicContact CG-CG1 4.4Å; W493-D524 HydrophobicContact CD2-CB 4.18Å; W493-D524 HydrophobicContact CE3-CB 4.17Å; W493-D524 HydrophobicContact CH2-CB 3.76Å; W493-D524 HydrophobicContact CZ2-CB 3.75Å; W493-D524 HydrophobicContact CZ3-CB 3.97Å; W493-T528 HydrophobicContact CB-CG2 4.04Å; W493-T528 WeakPolarHBondContact CB-OG1 3.43Å
494	K	95.6	Very high	93.3	Very high	56 Å²	56	43.4 Å²	43.4	24%	0.243	22%	0.217	C	C	.	.	H	α-helix	trans	-53.7	-47	171.6	173.7	177.2	-178.6	-176.7	0	110.5	R490 Y492 L498 L532 E553	R490-K494 PolarHBondContact O-N 3.38Å; Y492-K494 PolarHBondContact O-N 3.5Å; K494-L498 HydrophobicContact CD-CD1 4.23Å; K494-L498 VanDerWaalsContact CE-CD1 3.43Å; K494-L498 HydrophobicContact CG-CD1 3.68Å; K494-L498 HydrophobicContact CG-CG 4.48Å; K494-L498 WeakPolarHBondContact O-CB 3.33Å; K494-L498 VanDerWaalsContact O-CG 3.26Å; K494-L498 WeakPolarHBondContact O-CG 3.46Å; K494-L498 PolarHBondContact O-N 2.88Å; K494-L498 VanDerWaalsContact O-N 3.09Å; K494-L532 HydrophobicContact CD-CD2 3.79Å; K494-L532 HydrophobicContact CG-CD1 4.23Å; K494-L532 HydrophobicContact CG-CD2 3.89Å; K494-E553 IonicContact NZ-OE1 3.94Å; K494-E553 PolarHBondContact NZ-OE1 3.28Å; K494-E553 IonicContact NZ-OE2 2.96Å; K494-E553 PolarHBondContact NZ-OE2 3.41Å
495	E	93.7	Very high	93.1	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.033	23%	0.234	C	C	.	.	H	α-helix	trans	-70	-45.2	-174.7	-159.4	-165.7	105.5	0	0	112.6	K458 S491 Y492 W493 L497 L498 R499 W554 R561	K458-E495 WeakPolarHBondContact CE-OE1 3.38Å; K458-E495 WeakPolarHBondContact CE-OE2 3.37Å; K458-E495 IonicContact NZ-OE1 3.19Å; K458-E495 PolarHBondContact NZ-OE1 3.42Å; K458-E495 IonicContact NZ-OE2 3.12Å; K458-E495 PolarHBondContact NZ-OE2 2.89Å; S491-E495 PolarHBondContact O-N 3.13Å; Y492-E495 WeakPolarHBondContact O-CB 3.38Å; Y492-E495 PolarHBondContact O-N 3.45Å; W493-E495 VanDerWaalsContact C-N 3.25Å; W493-E495 PolarHBondContact O-N 3.27Å; E495-L497 PolarHBondContact O-N 3.21Å; E495-L498 PolarHBondContact O-N 3.38Å; E495-R499 VanDerWaalsContact O-CB 3.31Å; E495-R499 WeakPolarHBondContact O-CB 3.34Å; E495-R499 PolarHBondContact O-N 3.25Å; E495-R499 IonicContact OE1-CZ 3.91Å; E495-R499 IonicContact OE1-NH2 2.76Å; E495-R499 PolarHBondContact OE1-NH2 2.93Å; E495-W554 VanDerWaalsContact CG-NE1 3.28Å; E495-R561 IonicContact OE2-CZ 2.81Å; E495-R561 IonicContact OE2-NH1 2.8Å; E495-R561 PolarHBondContact OE2-NH1 2.93Å; E495-R561 IonicContact OE2-NH2 3.53Å
496	V	94.8	Very high	92.7	Very high	12 Å²	12	49.1 Å²	49.1	7%	0.073	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-42	178.5	172	0	0	0	0	111.4	Y492 W493 R499 Y500 T518	Y492-V496 HydrophobicContact CD1-CG2 4.11Å; Y492-V496 HydrophobicContact CD2-CG2 4.32Å; Y492-V496 HydrophobicContact CE1-CG2 3.6Å; Y492-V496 HydrophobicContact CE2-CG2 3.85Å; Y492-V496 HydrophobicContact CG-CG2 4.44Å; Y492-V496 VanDerWaalsContact CZ-CG2 3.46Å; Y492-V496 PolarHBondContact O-N 3.21Å; W493-V496 PolarHBondContact O-N 3.44Å; V496-R499 PolarHBondContact O-N 2.85Å; V496-Y500 PolarHBondContact O-N 2.91Å; V496-T518 HydrophobicContact CG1-CG2 3.51Å
497	L	94.6	Very high	92.1	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-67.9	-41.2	177.9	-66.8	-179.1	0	0	0	112.6	W493 E495 R499 Y500 M501 I514 I525 T528 L529	W493-L497 WeakPolarHBondContact O-CB 3.42Å; W493-L497 VanDerWaalsContact O-CG 3.26Å; W493-L497 WeakPolarHBondContact O-CG 3.18Å; W493-L497 PolarHBondContact O-N 3.29Å; E495-L497 PolarHBondContact O-N 3.21Å; L497-R499 VanDerWaalsContact C-N 3.35Å; L497-Y500 PolarHBondContact O-N 3.39Å; L497-M501 WeakPolarHBondContact O-CB 3.5Å; L497-M501 VanDerWaalsContact O-CG 3.31Å; L497-M501 WeakPolarHBondContact O-CG 3.39Å; L497-M501 PolarHBondContact O-N 3.19Å; L497-I514 HydrophobicContact CD2-CG2 3.38Å; L497-I525 HydrophobicContact CD1-CG2 4.32Å; L497-I525 HydrophobicContact CD2-CG1 4.3Å; L497-I525 HydrophobicContact CD2-CG2 4.01Å; L497-T528 HydrophobicContact CD1-CG2 3.68Å; L497-L529 HydrophobicContact CD1-CD2 4.2Å; L497-L529 HydrophobicContact CD1-CG 4.16Å
498	L	93.9	Very high	91.6	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-67.5	-36.2	176.2	-69.6	171.2	0	0	0	111.8	K494 E495 M501 H502 M534 L550 I551 W554	K494-L498 HydrophobicContact CD-CD1 4.23Å; K494-L498 VanDerWaalsContact CE-CD1 3.43Å; K494-L498 HydrophobicContact CG-CD1 3.68Å; K494-L498 HydrophobicContact CG-CG 4.48Å; K494-L498 WeakPolarHBondContact O-CB 3.33Å; K494-L498 VanDerWaalsContact O-CG 3.26Å; K494-L498 WeakPolarHBondContact O-CG 3.46Å; K494-L498 PolarHBondContact O-N 2.88Å; K494-L498 VanDerWaalsContact O-N 3.09Å; E495-L498 PolarHBondContact O-N 3.38Å; L498-M501 PolarHBondContact O-N 3.19Å; L498-H502 WeakPolarHBondContact O-CB 3.48Å; L498-H502 PolarHBondContact O-N 2.91Å; L498-M534 HydrophobicContact CD2-CE 4.25Å; L498-M534 HydrophobicContact CD2-SD 4.27Å; L498-L550 HydrophobicContact CD1-CB 4.34Å; L498-L550 HydrophobicContact CD2-CB 3.9Å; L498-I551 HydrophobicContact CD2-CG1 3.87Å; L498-W554 HydrophobicContact CB-CB 4.21Å; L498-W554 HydrophobicContact CB-CD2 4.21Å; L498-W554 HydrophobicContact CB-CG 4.01Å; L498-W554 HydrophobicContact CD1-CB 3.92Å; L498-W554 HydrophobicContact CD1-CG 4.43Å
499	R	92.8	Very high	91	Very high	80 Å²	80	58.7 Å²	58.7	30%	0.302	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-47.6	172.9	-166.6	-171.9	-55.6	167.1	6.8	111.9	E495 V496 L497 H502 N503 W554	E495-R499 VanDerWaalsContact O-CB 3.31Å; E495-R499 WeakPolarHBondContact O-CB 3.34Å; E495-R499 PolarHBondContact O-N 3.25Å; E495-R499 IonicContact OE1-CZ 3.91Å; E495-R499 IonicContact OE1-NH2 2.76Å; E495-R499 PolarHBondContact OE1-NH2 2.93Å; V496-R499 PolarHBondContact O-N 2.85Å; L497-R499 VanDerWaalsContact C-N 3.35Å; R499-H502 PolarHBondContact O-N 2.89Å; R499-N503 PolarHBondContact O-N 3.34Å; R499-W554 HydrophobicContact CB-CH2 3.96Å; R499-W554 HydrophobicContact CB-CZ2 3.57Å; R499-W554 HydrophobicContact CG-CH2 3.82Å; R499-W554 HydrophobicContact CG-CZ2 3.62Å
500	Y	93	Very high	90.4	Very high	16 Å²	16	61 Å²	61	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-58.6	-50.5	173.7	-179.5	-84.3	0	0	0	110.9	V496 L497 H502 N503 F504 I509 I514 E517	V496-Y500 PolarHBondContact O-N 2.91Å; L497-Y500 PolarHBondContact O-N 3.39Å; Y500-H502 VanDerWaalsContact C-N 3.34Å; Y500-H502 PolarHBondContact O-N 2.96Å; Y500-N503 PolarHBondContact O-N 2.95Å; Y500-F504 HydrophobicContact CD1-CB 4.42Å; Y500-F504 HydrophobicContact CE1-CB 4.23Å; Y500-F504 AromaticContact CE1-CD2 3.83Å; Y500-F504 HydrophobicContact CE1-CD2 3.83Å; Y500-F504 HydrophobicContact CE1-CE2 4.5Å; Y500-F504 HydrophobicContact CE1-CG 4.17Å; Y500-F504 AromaticContact CZ-CD2 3.9Å; Y500-F504 WeakPolarHBondContact O-CB 3.48Å; Y500-F504 PolarHBondContact O-N 3.29Å; Y500-I509 HydrophobicContact CE1-CG2 4.11Å; Y500-I514 HydrophobicContact CD1-CG1 4.07Å; Y500-I514 HydrophobicContact CE1-CG1 3.68Å; Y500-E517 HydrophobicContact CD2-CB 4.48Å; Y500-E517 WeakPolarHBondContact CD2-OE1 3.14Å; Y500-E517 HydrophobicContact CE2-CB 4.09Å; Y500-E517 HydrophobicContact CE2-CG 4.44Å; Y500-E517 WeakPolarHBondContact CE2-OE2 3.34Å
501	M	90.4	Very high	90.1	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-70	-24.8	-177.1	-70.4	-173	71.6	0	0	114.4	L497 L498 I509 L529 M534 V544 K546 I551	L497-M501 WeakPolarHBondContact O-CB 3.5Å; L497-M501 VanDerWaalsContact O-CG 3.31Å; L497-M501 WeakPolarHBondContact O-CG 3.39Å; L497-M501 PolarHBondContact O-N 3.19Å; L498-M501 PolarHBondContact O-N 3.19Å; M501-I509 HydrophobicContact CE-CD1 4.01Å; M501-I509 HydrophobicContact CG-CD1 4.37Å; M501-L529 HydrophobicContact SD-CD2 4.28Å; M501-M534 HydrophobicContact CE-CE 3.57Å; M501-M534 HydrophobicContact SD-CE 3.41Å; M501-M534 WeakPolarHBondContact SD-CE 3.48Å; M501-V544 HydrophobicContact CE-CG1 3.64Å; M501-V544 HydrophobicContact SD-CG1 4.06Å; M501-K546 HydrophobicContact CE-CB 3.93Å; M501-K546 HydrophobicContact CE-CG 4.24Å; M501-K546 WeakPolarHBondContact O-CE 3.3Å; M501-K546 PolarHBondContact O-NZ 3.06Å; M501-I551 HydrophobicContact CB-CD1 4.29Å
502	H	91.3	Very high	89.8	Confident	52 Å²	52	60.1 Å²	60.1	24%	0.241	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-48.4	168.5	173	-89.8	0	0	0	110.7	L498 R499 Y500 I551 W554 K555	L498-H502 WeakPolarHBondContact O-CB 3.48Å; L498-H502 PolarHBondContact O-N 2.91Å; R499-H502 PolarHBondContact O-N 2.89Å; Y500-H502 VanDerWaalsContact C-N 3.34Å; Y500-H502 PolarHBondContact O-N 2.96Å; H502-I551 HydrophobicContact CB-CG2 3.95Å; H502-W554 HydrophobicContact CB-CE3 4.36Å; H502-W554 HydrophobicContact CB-CH2 4.37Å; H502-W554 HydrophobicContact CB-CZ3 3.64Å; H502-W554 AromaticContact CG-CZ3 3.71Å; H502-K555 PolarHBondContact NE2-NZ 2.82Å
503	N	90.4	Very high	89.5	Confident	100 Å²	100	64.5 Å²	64.5	54%	0.535	31%	0.313	S	S	.	.	H	α-helix	trans	-74.6	-30.9	-175.7	-65.2	-2.1	0	0	0	112.7	R499 Y500 Q505	R499-N503 PolarHBondContact O-N 3.34Å; Y500-N503 PolarHBondContact O-N 2.95Å; N503-Q505 PolarHBondContact O-N 3.06Å; N503-Q505 PolarHBondContact O-NE2 3.47Å; N503-Q505 VanDerWaalsContact O-NE2 3.15Å
504	F	88.7	Confident	89.3	Confident	49 Å²	49	64 Å²	64	22%	0.215	31%	0.311	C	S	.	.			trans	-67.9	124.4	-177.7	-167.7	-93.4	0	0	0	113.3	Y500 G506 E508 I509 K546	Y500-F504 HydrophobicContact CD1-CB 4.42Å; Y500-F504 HydrophobicContact CE1-CB 4.23Å; Y500-F504 AromaticContact CE1-CD2 3.83Å; Y500-F504 HydrophobicContact CE1-CD2 3.83Å; Y500-F504 HydrophobicContact CE1-CE2 4.5Å; Y500-F504 HydrophobicContact CE1-CG 4.17Å; Y500-F504 AromaticContact CZ-CD2 3.9Å; Y500-F504 WeakPolarHBondContact O-CB 3.48Å; Y500-F504 PolarHBondContact O-N 3.29Å; F504-G506 VanDerWaalsContact CE1-C 3.44Å; F504-G506 VanDerWaalsContact CE1-N 3.29Å; F504-G506 WeakPolarHBondContact CE1-O 3.48Å; F504-E508 WeakPolarHBondContact CE1-O 3.43Å; F504-E508 WeakPolarHBondContact CZ-O 3.37Å; F504-I509 HydrophobicContact CD1-CD1 3.88Å; F504-I509 HydrophobicContact CD1-CG1 3.54Å; F504-I509 HydrophobicContact CE1-CB 4.44Å; F504-I509 HydrophobicContact CE1-CD1 4.13Å; F504-I509 HydrophobicContact CE1-CG1 3.28Å; F504-I509 HydrophobicContact CG-CG1 4.26Å; F504-I509 HydrophobicContact CZ-CG1 3.86Å; F504-K546 PolarHBondContact O-NZ 3.47Å
505	Q	84.6	Confident	89.3	Confident	160 Å²	160	61.5 Å²	61.5	75%	0.748	30%	0.301	S	S	*	.			trans	-109	-1.7	-179.3	-54	-55.7	-34.2	0	0	114.2	N503	N503-Q505 PolarHBondContact O-N 3.06Å; N503-Q505 PolarHBondContact O-NE2 3.47Å; N503-Q505 VanDerWaalsContact O-NE2 3.15Å
506	G	82.7	Confident	89.3	Confident	45 Å²	45	66.7 Å²	66.7	46%	0.464	33%	0.325	S	S	.	.			trans	-73.2	165.5	179.4	0	0	0	0	0	113.6	F504	F504-G506 VanDerWaalsContact CE1-C 3.44Å; F504-G506 VanDerWaalsContact CE1-N 3.29Å; F504-G506 WeakPolarHBondContact CE1-O 3.48Å
507	K	80.1	Confident	89.2	Confident	217 Å²	217	71.9 Å²	71.9	94%	0.943	35%	0.349	S	S	*	.	S	Bend	trans	-86.7	-27	-178.2	-66.2	-177.2	179.4	178.5	0	114.4
508	E	81.1	Confident	89.3	Confident	161 Å²	161	71.9 Å²	71.9	75%	0.752	35%	0.348	S	S	*	.	S	Bend	trans	-127.9	147.7	176.4	-59.8	-167.3	172	0	0	108.6	F504	F504-E508 WeakPolarHBondContact CE1-O 3.43Å; F504-E508 WeakPolarHBondContact CZ-O 3.37Å
509	I	82.4	Confident	89.4	Confident	41 Å²	41	71.9 Å²	71.9	21%	0.21	35%	0.349	C	S	.	.			trans	-124.5	122.3	-179.7	-62.5	166.5	0	0	0	108.8	Y500 M501 F504 I514	Y500-I509 HydrophobicContact CE1-CG2 4.11Å; M501-I509 HydrophobicContact CE-CD1 4.01Å; M501-I509 HydrophobicContact CG-CD1 4.37Å; F504-I509 HydrophobicContact CD1-CD1 3.88Å; F504-I509 HydrophobicContact CD1-CG1 3.54Å; F504-I509 HydrophobicContact CE1-CB 4.44Å; F504-I509 HydrophobicContact CE1-CD1 4.13Å; F504-I509 HydrophobicContact CE1-CG1 3.28Å; F504-I509 HydrophobicContact CG-CG1 4.26Å; F504-I509 HydrophobicContact CZ-CG1 3.86Å; I509-I514 HydrophobicContact CG2-CD1 3.66Å; I509-I514 HydrophobicContact CG2-CG1 3.74Å
510	S	85.4	Confident	89.7	Confident	48 Å²	48	68.2 Å²	68.2	34%	0.336	34%	0.335	S	S	.	.			trans	-87.3	135.1	171.1	-170.2	0	0	0	0	111.7	K512 E513 I514	S510-K512 PolarHBondContact O-N 3.2Å; S510-K512 VanDerWaalsContact O-N 3.15Å; S510-K512 PolarHBondContact OG-N 2.77Å; S510-E513 WeakPolarHBondContact CA-OE2 3.35Å; S510-E513 WeakPolarHBondContact CB-OE2 3.42Å; S510-E513 PolarHBondContact N-OE2 3.39Å; S510-E513 PolarHBondContact O-N 2.81Å; S510-I514 PolarHBondContact O-N 2.94Å
511	I	88.3	Confident	89.9	Confident	41 Å²	41	69.4 Å²	69.4	21%	0.21	34%	0.343	C	S	.	.	H	α-helix	trans	-57.4	-28.6	169.2	-55.4	-59.6	0	0	0	111.1	I514 S515 P522 I525 V526 L529 V544	I511-I514 HydrophobicContact CD1-CD1 4.29Å; I511-S515 WeakPolarHBondContact O-CB 3.4Å; I511-S515 PolarHBondContact O-N 3.17Å; I511-P522 HydrophobicContact CG2-CB 4.02Å; I511-I525 HydrophobicContact CD1-CG2 4.17Å; I511-I525 HydrophobicContact CG2-CB 4.42Å; I511-I525 HydrophobicContact CG2-CG2 4.14Å; I511-V526 HydrophobicContact CD1-CG2 4.49Å; I511-V526 HydrophobicContact CG1-CG2 4.42Å; I511-V526 HydrophobicContact CG2-CG2 4.15Å; I511-L529 HydrophobicContact CD1-CD1 3.59Å; I511-V544 HydrophobicContact CD1-CG2 4.42Å
512	K	88.5	Confident	90.1	Very high	152 Å²	152	71.7 Å²	71.7	66%	0.661	36%	0.358	S	S	*	.	H	α-helix	trans	-68.4	-39.6	176.2	-170.7	-177.7	176.6	-172.6	0	112.1	S510 S515 Q516	S510-K512 PolarHBondContact O-N 3.2Å; S510-K512 VanDerWaalsContact O-N 3.15Å; S510-K512 PolarHBondContact OG-N 2.77Å; K512-S515 PolarHBondContact O-N 2.71Å; K512-Q516 WeakPolarHBondContact O-CG 3.17Å; K512-Q516 PolarHBondContact O-N 2.73Å
513	E	90.1	Very high	90.2	Very high	98 Å²	98	73.5 Å²	73.5	46%	0.458	37%	0.372	S	S	.	.	H	α-helix	trans	-67.2	-49.3	179.4	-69.7	149.6	-175.3	0	0	110.6	S510 S515 Q516 E517	S510-E513 WeakPolarHBondContact CA-OE2 3.35Å; S510-E513 WeakPolarHBondContact CB-OE2 3.42Å; S510-E513 PolarHBondContact N-OE2 3.39Å; S510-E513 PolarHBondContact O-N 2.81Å; E513-S515 VanDerWaalsContact C-N 3.26Å; E513-S515 PolarHBondContact O-N 3.19Å; E513-Q516 PolarHBondContact O-N 2.68Å; E513-E517 PolarHBondContact O-N 3.32Å
514	I	92.8	Very high	90.5	Very high	1 Å²	1	69 Å²	69	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-52.7	-48.4	172.7	-54.2	172.8	0	0	0	110.1	L497 Y500 I509 S510 I511 Q516 E517 T518 I525	L497-I514 HydrophobicContact CD2-CG2 3.38Å; Y500-I514 HydrophobicContact CD1-CG1 4.07Å; Y500-I514 HydrophobicContact CE1-CG1 3.68Å; I509-I514 HydrophobicContact CG2-CD1 3.66Å; I509-I514 HydrophobicContact CG2-CG1 3.74Å; S510-I514 PolarHBondContact O-N 2.94Å; I511-I514 HydrophobicContact CD1-CD1 4.29Å; I514-Q516 VanDerWaalsContact C-N 3.34Å; I514-Q516 PolarHBondContact O-N 3.34Å; I514-E517 PolarHBondContact O-N 2.91Å; I514-T518 HydrophobicContact CG2-CG2 3.92Å; I514-T518 VanDerWaalsContact O-CB 3.26Å; I514-T518 WeakPolarHBondContact O-CB 3.31Å; I514-T518 VanDerWaalsContact O-CG2 3.26Å; I514-T518 WeakPolarHBondContact O-CG2 3.45Å; I514-T518 PolarHBondContact O-N 3.39Å; I514-T518 PolarHBondContact O-OG1 3.05Å; I514-I525 HydrophobicContact CB-CD1 4.06Å; I514-I525 HydrophobicContact CD1-CG2 4.12Å; I514-I525 HydrophobicContact CG2-CD1 3.68Å; I514-I525 HydrophobicContact CG2-CG1 4.3Å; I514-I525 HydrophobicContact CG2-CG2 4.23Å
515	S	95.6	Very high	90.9	Very high	4 Å²	4	66.7 Å²	66.7	3%	0.028	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-40.5	-177.8	179.1	0	0	0	0	112.9	V474 I511 K512 E513 A519 V520 P522	V474-S515 WeakPolarHBondContact CG1-OG 3.46Å; I511-S515 WeakPolarHBondContact O-CB 3.4Å; I511-S515 PolarHBondContact O-N 3.17Å; K512-S515 PolarHBondContact O-N 2.71Å; E513-S515 VanDerWaalsContact C-N 3.26Å; E513-S515 PolarHBondContact O-N 3.19Å; S515-A519 CarbonylContact O-C 3.51Å; S515-A519 WeakPolarHBondContact O-CA 3.15Å; S515-A519 PolarHBondContact O-N 3.07Å; S515-V520 WeakPolarHBondContact CA-O 3.48Å; S515-V520 PolarHBondContact OG-O 3.46Å; S515-V520 VanDerWaalsContact OG-O 3.1Å; S515-P522 WeakPolarHBondContact OG-CD 3.33Å
516	Q	93.3	Very high	91.4	Very high	115 Å²	115	61.6 Å²	61.6	54%	0.537	32%	0.318	S	S	.	.	H	α-helix	trans	-70.5	-49.7	176.8	-66.7	-66	-43.8	0	0	112.1	K512 E513 I514 T518	K512-Q516 WeakPolarHBondContact O-CG 3.17Å; K512-Q516 PolarHBondContact O-N 2.73Å; E513-Q516 PolarHBondContact O-N 2.68Å; I514-Q516 VanDerWaalsContact C-N 3.34Å; I514-Q516 PolarHBondContact O-N 3.34Å; Q516-T518 VanDerWaalsContact C-N 3.34Å; Q516-T518 PolarHBondContact O-N 3.48Å
517	E	93.7	Very high	92	Very high	122 Å²	122	62.1 Å²	62.1	57%	0.57	31%	0.314	S	S	*	.	H	α-helix	trans	-69.5	-31.6	-177.2	-165.5	-174.9	119.1	0	0	112.7	K469 Y500 E513 I514	K469-E517 WeakPolarHBondContact CE-O 3.27Å; K469-E517 PolarHBondContact NZ-O 3.35Å; Y500-E517 HydrophobicContact CD2-CB 4.48Å; Y500-E517 WeakPolarHBondContact CD2-OE1 3.14Å; Y500-E517 HydrophobicContact CE2-CB 4.09Å; Y500-E517 HydrophobicContact CE2-CG 4.44Å; Y500-E517 WeakPolarHBondContact CE2-OE2 3.34Å; E513-E517 PolarHBondContact O-N 3.32Å; I514-E517 PolarHBondContact O-N 2.91Å
518	T	95.9	Very high	92.7	Very high	4 Å²	4	52 Å²	52	3%	0.025	27%	0.271	C	S	.	.	H	α-helix	trans	-92.8	-16.1	-179	67.1	0	0	0	0	114	K469 V496 I514 Q516 V520	K469-T518 VanDerWaalsContact CE-O 3.31Å; K469-T518 WeakPolarHBondContact CE-O 3.46Å; V496-T518 HydrophobicContact CG1-CG2 3.51Å; I514-T518 HydrophobicContact CG2-CG2 3.92Å; I514-T518 VanDerWaalsContact O-CB 3.26Å; I514-T518 WeakPolarHBondContact O-CB 3.31Å; I514-T518 VanDerWaalsContact O-CG2 3.26Å; I514-T518 WeakPolarHBondContact O-CG2 3.45Å; I514-T518 PolarHBondContact O-N 3.39Å; I514-T518 PolarHBondContact O-OG1 3.05Å; Q516-T518 VanDerWaalsContact C-N 3.34Å; Q516-T518 PolarHBondContact O-N 3.48Å; T518-V520 PolarHBondContact O-N 2.74Å; T518-V520 WeakPolarHBondContact OG1-CB 3.45Å; T518-V520 PolarHBondContact OG1-N 3.23Å
519	A	97.6	Very high	93.4	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.017	24%	0.235	C	C	.	.			trans	56	12.2	-164.3	0	0	0	0	0	115	Y465 K469 G475 S515	Y465-A519 HydrophobicContact CD1-CB 4.27Å; Y465-A519 WeakPolarHBondContact CE1-O 3.44Å; K469-A519 HydrophobicContact CG-CB 3.63Å; G475-A519 PolarHBondContact N-O 2.83Å; S515-A519 CarbonylContact O-C 3.51Å; S515-A519 WeakPolarHBondContact O-CA 3.15Å; S515-A519 PolarHBondContact O-N 3.07Å
520	V	97.6	Very high	93.9	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.018	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-83.9	133.2	178.6	-176.9	0	0	0	0	110.3	Y465 W493 S515 T518 D524 I525	Y465-V520 HydrophobicContact CD1-CG2 4.15Å; Y465-V520 HydrophobicContact CE1-CB 4.28Å; Y465-V520 HydrophobicContact CE1-CG2 3.85Å; Y465-V520 HydrophobicContact CE2-CG2 4.45Å; W493-V520 HydrophobicContact CG-CG1 4.4Å; S515-V520 WeakPolarHBondContact CA-O 3.48Å; S515-V520 PolarHBondContact OG-O 3.46Å; S515-V520 VanDerWaalsContact OG-O 3.1Å; T518-V520 PolarHBondContact O-N 2.74Å; T518-V520 WeakPolarHBondContact OG1-CB 3.45Å; T518-V520 PolarHBondContact OG1-N 3.23Å; V520-D524 HydrophobicContact CG1-CB 4.07Å; V520-I525 HydrophobicContact CB-CD1 4.19Å; V520-I525 HydrophobicContact CB-CG1 4.01Å; V520-I525 HydrophobicContact CG1-CD1 4.5Å; V520-I525 HydrophobicContact CG1-CG1 3.83Å; V520-I525 VanDerWaalsContact O-CD1 3.24Å; V520-I525 WeakPolarHBondContact O-CD1 3.45Å
521	N	96.9	Very high	94.3	Very high	40 Å²	40	50.4 Å²	50.4	21%	0.214	27%	0.266	C	S	.	.			trans	-55	136.7	178.1	-171.7	-66.2	0	0	0	112.7	G475 V523 D524 I525	G475-N521 WeakPolarHBondContact O-CB 3.45Å; G475-N521 PolarHBondContact O-N 2.92Å; N521-V523 PolarHBondContact O-N 3.34Å; N521-V523 VanDerWaalsContact O-N 3.09Å; N521-V523 WeakPolarHBondContact OD1-CB 3.38Å; N521-V523 WeakPolarHBondContact OD1-CG2 3.39Å; N521-V523 PolarHBondContact OD1-N 3.33Å; N521-D524 PolarHBondContact O-N 2.69Å; N521-I525 PolarHBondContact O-N 3.32Å; N521-I525 VanDerWaalsContact O-N 3.12Å
522	P	94.9	Very high	94.6	Very high	51 Å²	51	49.3 Å²	49.3	33%	0.331	26%	0.261	S	S	.	.	H	α-helix	trans	-53	-32.5	179.9	-29.2	36.6	0	0	0	115.3	I511 S515 V526	I511-P522 HydrophobicContact CG2-CB 4.02Å; S515-P522 WeakPolarHBondContact OG-CD 3.33Å; P522-V526 WeakPolarHBondContact O-CB 3.33Å; P522-V526 VanDerWaalsContact O-CG2 3.3Å; P522-V526 WeakPolarHBondContact O-CG2 3.32Å; P522-V526 PolarHBondContact O-N 3.26Å
523	V	94.8	Very high	94.8	Very high	89 Å²	89	48 Å²	48	54%	0.539	26%	0.257	S	S	.	.	H	α-helix	trans	-66.3	-41	178.9	178.8	0	0	0	0	111.1	N521 V526 S527	N521-V523 PolarHBondContact O-N 3.34Å; N521-V523 VanDerWaalsContact O-N 3.09Å; N521-V523 WeakPolarHBondContact OD1-CB 3.38Å; N521-V523 WeakPolarHBondContact OD1-CG2 3.39Å; N521-V523 PolarHBondContact OD1-N 3.33Å; V523-V526 PolarHBondContact O-N 2.85Å; V523-S527 WeakPolarHBondContact O-CB 3.47Å; V523-S527 PolarHBondContact O-N 2.84Å
524	D	96.6	Very high	94.9	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.032	24%	0.235	C	C	.	.	H	α-helix	trans	-75.5	-33.1	-178.9	-60	-34.9	0	0	0	111	S476 R479 W493 V520 N521 T528	S476-D524 WeakPolarHBondContact CB-OD2 3.43Å; S476-D524 PolarHBondContact OG-OD2 2.99Å; R479-D524 IonicContact CZ-OD1 2.7Å; R479-D524 IonicContact NH2-OD1 2.6Å; R479-D524 PolarHBondContact NH2-OD1 3.34Å; R479-D524 IonicContact NH2-OD2 2.72Å; W493-D524 HydrophobicContact CD2-CB 4.18Å; W493-D524 HydrophobicContact CE3-CB 4.17Å; W493-D524 HydrophobicContact CH2-CB 3.76Å; W493-D524 HydrophobicContact CZ2-CB 3.75Å; W493-D524 HydrophobicContact CZ3-CB 3.97Å; V520-D524 HydrophobicContact CG1-CB 4.07Å; N521-D524 PolarHBondContact O-N 2.69Å; D524-T528 VanDerWaalsContact O-CB 3.32Å; D524-T528 WeakPolarHBondContact O-CB 3.31Å; D524-T528 PolarHBondContact O-N 3.33Å; D524-T528 PolarHBondContact O-OG1 3.36Å
525	I	95.9	Very high	94.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-52.5	169	-63.5	170.5	0	0	0	110.7	L497 I511 I514 V520 N521 S527 T528 L529	L497-I525 HydrophobicContact CD1-CG2 4.32Å; L497-I525 HydrophobicContact CD2-CG1 4.3Å; L497-I525 HydrophobicContact CD2-CG2 4.01Å; I511-I525 HydrophobicContact CD1-CG2 4.17Å; I511-I525 HydrophobicContact CG2-CB 4.42Å; I511-I525 HydrophobicContact CG2-CG2 4.14Å; I514-I525 HydrophobicContact CB-CD1 4.06Å; I514-I525 HydrophobicContact CD1-CG2 4.12Å; I514-I525 HydrophobicContact CG2-CD1 3.68Å; I514-I525 HydrophobicContact CG2-CG1 4.3Å; I514-I525 HydrophobicContact CG2-CG2 4.23Å; V520-I525 HydrophobicContact CB-CD1 4.19Å; V520-I525 HydrophobicContact CB-CG1 4.01Å; V520-I525 HydrophobicContact CG1-CD1 4.5Å; V520-I525 HydrophobicContact CG1-CG1 3.83Å; V520-I525 VanDerWaalsContact O-CD1 3.24Å; V520-I525 WeakPolarHBondContact O-CD1 3.45Å; N521-I525 PolarHBondContact O-N 3.32Å; N521-I525 VanDerWaalsContact O-N 3.12Å; I525-S527 PolarHBondContact O-N 2.96Å; I525-T528 PolarHBondContact O-N 2.59Å; I525-L529 HydrophobicContact CG2-CD1 3.94Å; I525-L529 HydrophobicContact CG2-CG 4.35Å; I525-L529 WeakPolarHBondContact O-CG 3.26Å; I525-L529 PolarHBondContact O-N 3.36Å
526	V	94.6	Very high	94.3	Very high	53 Å²	53	50 Å²	50	32%	0.321	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-44.6	-179.9	166.6	0	0	0	0	111.2	I511 P522 V523 T528 L529 Q530 L535	I511-V526 HydrophobicContact CD1-CG2 4.49Å; I511-V526 HydrophobicContact CG1-CG2 4.42Å; I511-V526 HydrophobicContact CG2-CG2 4.15Å; P522-V526 WeakPolarHBondContact O-CB 3.33Å; P522-V526 VanDerWaalsContact O-CG2 3.3Å; P522-V526 WeakPolarHBondContact O-CG2 3.32Å; P522-V526 PolarHBondContact O-N 3.26Å; V523-V526 PolarHBondContact O-N 2.85Å; V526-T528 VanDerWaalsContact C-N 3.32Å; V526-T528 PolarHBondContact O-N 2.82Å; V526-L529 PolarHBondContact O-N 3.35Å; V526-Q530 WeakPolarHBondContact O-CB 3.48Å; V526-Q530 PolarHBondContact O-N 3.27Å; V526-L535 HydrophobicContact CG1-CD2 3.98Å
527	S	95.3	Very high	93.8	Very high	56 Å²	56	51.9 Å²	51.9	39%	0.392	27%	0.269	S	S	.	.	H	α-helix	trans	-60.3	-41.7	175.9	-169.6	0	0	0	0	112	V523 I525 Q530 S531	V523-S527 WeakPolarHBondContact O-CB 3.47Å; V523-S527 PolarHBondContact O-N 2.84Å; I525-S527 PolarHBondContact O-N 2.96Å; S527-Q530 PolarHBondContact O-N 3.01Å; S527-S531 PolarHBondContact O-N 3.49Å
528	T	96.5	Very high	93.1	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-68.7	-48.2	178.8	-54.6	0	0	0	0	111.3	W493 L497 D524 I525 V526 Q530 S531 L532	W493-T528 HydrophobicContact CB-CG2 4.04Å; W493-T528 WeakPolarHBondContact CB-OG1 3.43Å; L497-T528 HydrophobicContact CD1-CG2 3.68Å; D524-T528 VanDerWaalsContact O-CB 3.32Å; D524-T528 WeakPolarHBondContact O-CB 3.31Å; D524-T528 PolarHBondContact O-N 3.33Å; D524-T528 PolarHBondContact O-OG1 3.36Å; I525-T528 PolarHBondContact O-N 2.59Å; V526-T528 VanDerWaalsContact C-N 3.32Å; V526-T528 PolarHBondContact O-N 2.82Å; T528-Q530 VanDerWaalsContact C-N 3.26Å; T528-Q530 PolarHBondContact O-N 3.13Å; T528-S531 PolarHBondContact O-N 3.48Å; T528-S531 PolarHBondContact O-OG 2.8Å; T528-L532 HydrophobicContact CG2-CD1 4.24Å; T528-L532 WeakPolarHBondContact O-CG 3.37Å; T528-L532 PolarHBondContact O-N 3.16Å
529	L	94.3	Very high	92.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-36.2	175.5	-69.6	175	0	0	0	112.7	L497 M501 I511 I525 V526 Q533 M534 L535 V544	L497-L529 HydrophobicContact CD1-CD2 4.2Å; L497-L529 HydrophobicContact CD1-CG 4.16Å; M501-L529 HydrophobicContact SD-CD2 4.28Å; I511-L529 HydrophobicContact CD1-CD1 3.59Å; I525-L529 HydrophobicContact CG2-CD1 3.94Å; I525-L529 HydrophobicContact CG2-CG 4.35Å; I525-L529 WeakPolarHBondContact O-CG 3.26Å; I525-L529 PolarHBondContact O-N 3.36Å; V526-L529 PolarHBondContact O-N 3.35Å; L529-Q533 PolarHBondContact O-N 3.05Å; L529-M534 HydrophobicContact CD2-CB 4.25Å; L529-M534 PolarHBondContact O-N 3.28Å; L529-L535 HydrophobicContact CB-CB 4.16Å; L529-L535 PolarHBondContact O-N 3.44Å; L529-V544 HydrophobicContact CD1-CG1 4.34Å; L529-V544 HydrophobicContact CD1-CG2 4.21Å; L529-V544 HydrophobicContact CD2-CG1 4.15Å
530	Q	93.8	Very high	91.4	Very high	131 Å²	131	65.3 Å²	65.3	61%	0.612	34%	0.335	S	S	*	.	H	α-helix	trans	-65.3	-45.1	173	-175.2	178.2	-2.9	0	0	111.5	V526 S527 T528 L532 Q533	V526-Q530 WeakPolarHBondContact O-CB 3.48Å; V526-Q530 PolarHBondContact O-N 3.27Å; S527-Q530 PolarHBondContact O-N 3.01Å; T528-Q530 VanDerWaalsContact C-N 3.26Å; T528-Q530 PolarHBondContact O-N 3.13Å; Q530-L532 VanDerWaalsContact C-N 3.31Å; Q530-L532 PolarHBondContact O-N 3.42Å; Q530-Q533 WeakPolarHBondContact O-CA 3.33Å; Q530-Q533 PolarHBondContact O-N 3.39Å
531	S	94.4	Very high	90.4	Very high	85 Å²	85	71.7 Å²	71.7	59%	0.594	36%	0.363	S	S	*	.	H	α-helix	trans	-65	-30	178.3	71.4	0	0	0	0	114.1	S527 T528 Q533	S527-S531 PolarHBondContact O-N 3.49Å; T528-S531 PolarHBondContact O-N 3.48Å; T528-S531 PolarHBondContact O-OG 2.8Å; S531-Q533 PolarHBondContact O-N 3.39Å
532	L	93.8	Very high	89.6	Confident	19 Å²	19	75.9 Å²	75.9	10%	0.099	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.2	173	-60.2	175.9	0	0	0	113.1	K494 T528 Q530 M534 R547 L550	K494-L532 HydrophobicContact CD-CD2 3.79Å; K494-L532 HydrophobicContact CG-CD1 4.23Å; K494-L532 HydrophobicContact CG-CD2 3.89Å; T528-L532 HydrophobicContact CG2-CD1 4.24Å; T528-L532 WeakPolarHBondContact O-CG 3.37Å; T528-L532 PolarHBondContact O-N 3.16Å; Q530-L532 VanDerWaalsContact C-N 3.31Å; Q530-L532 PolarHBondContact O-N 3.42Å; L532-M534 HydrophobicContact CB-CB 4.38Å; L532-M534 HydrophobicContact CB-CG 3.78Å; L532-M534 HydrophobicContact CB-SD 3.62Å; L532-M534 HydrophobicContact CD1-SD 3.73Å; L532-M534 HydrophobicContact CG-SD 4.31Å; L532-M534 PolarHBondContact O-N 3.39Å; L532-R547 PolarHBondContact O-NH1 3.03Å; L532-L550 HydrophobicContact CB-CD1 4.08Å; L532-L550 HydrophobicContact CD2-CD1 4.34Å
533	Q	93.1	Very high	88.9	Confident	124 Å²	124	77.4 Å²	77.4	58%	0.579	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	18.5	-173.2	-52.7	172.7	-27	0	0	114	L529 Q530 S531 K536	L529-Q533 PolarHBondContact O-N 3.05Å; Q530-Q533 WeakPolarHBondContact O-CA 3.33Å; Q530-Q533 PolarHBondContact O-N 3.39Å; S531-Q533 PolarHBondContact O-N 3.39Å; Q533-K536 WeakPolarHBondContact O-CE 3.48Å
534	M	90.9	Very high	88.5	Confident	0 Å²	0	75 Å²	75	0%	0	37%	0.371	C	S	.	.			trans	-85.3	-18.3	-178	-66.2	171.9	76	0	0	112.3	L498 M501 L529 L532 V544 L545 R547 L550	L498-M534 HydrophobicContact CD2-CE 4.25Å; L498-M534 HydrophobicContact CD2-SD 4.27Å; M501-M534 HydrophobicContact CE-CE 3.57Å; M501-M534 HydrophobicContact SD-CE 3.41Å; M501-M534 WeakPolarHBondContact SD-CE 3.48Å; L529-M534 HydrophobicContact CD2-CB 4.25Å; L529-M534 PolarHBondContact O-N 3.28Å; L532-M534 HydrophobicContact CB-CB 4.38Å; L532-M534 HydrophobicContact CB-CG 3.78Å; L532-M534 HydrophobicContact CB-SD 3.62Å; L532-M534 HydrophobicContact CD1-SD 3.73Å; L532-M534 HydrophobicContact CG-SD 4.31Å; L532-M534 PolarHBondContact O-N 3.39Å; M534-V544 CarbonylContact O-C 3.4Å; M534-V544 WeakPolarHBondContact O-CA 3.44Å; M534-L545 WeakPolarHBondContact CE-O 3.46Å; M534-L545 PolarHBondContact O-N 2.93Å; M534-R547 HydrophobicContact CE-CB 4.25Å; M534-R547 HydrophobicContact CG-CB 4.11Å; M534-R547 HydrophobicContact CG-CG 4Å; M534-R547 HydrophobicContact SD-CB 4.35Å; M534-L550 HydrophobicContact CG-CD1 4.31Å; M534-L550 HydrophobicContact SD-CD1 3.9Å
535	L	90.8	Very high	87.9	Confident	35 Å²	35	78.9 Å²	78.9	18%	0.183	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	125.5	172.1	-167.7	64.3	0	0	0	111	V526 L529 H542	V526-L535 HydrophobicContact CG1-CD2 3.98Å; L529-L535 HydrophobicContact CB-CB 4.16Å; L529-L535 PolarHBondContact O-N 3.44Å; L535-H542 HydrophobicContact CD1-CB 4.17Å
536	K	85.4	Confident	87.5	Confident	111 Å²	111	83 Å²	83	48%	0.483	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	164	173.3	-59.7	-64	179.7	-177.7	0	110.5	Q533 H542 L543	Q533-K536 WeakPolarHBondContact O-CE 3.48Å; K536-H542 WeakPolarHBondContact O-CA 3.24Å; K536-L543 PolarHBondContact N-O 3.07Å; K536-L543 PolarHBondContact O-N 3.27Å
537	Y	82.9	Confident	87.3	Confident	153 Å²	153	83.6 Å²	83.6	60%	0.6	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.7	174.5	-176	-106	0	0	0	109.3	K541 H542	Y537-K541 WeakPolarHBondContact CA-O 3.35Å; Y537-K541 WeakPolarHBondContact CD2-O 3.28Å; Y537-H542 AromaticContact CD2-CE1 3.68Å; Y537-H542 AromaticContact CD2-ND1 3.88Å; Y537-H542 AromaticContact CD2-NE2 3.83Å
538	W	79.1	Confident	87.1	Confident	170 Å²	170	85.3 Å²	85.3	64%	0.644	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.3	128.5	-172.7	-173.5	-110.3	0	0	0	110.6	G540 K541 L543	W538-G540 PolarHBondContact O-N 2.61Å; W538-G540 VanDerWaalsContact O-N 3.1Å; W538-K541 PolarHBondContact N-O 3.3Å; W538-K541 PolarHBondContact O-N 3.16Å; W538-L543 HydrophobicContact CB-CD1 3.73Å; W538-L543 HydrophobicContact CB-CG 4.42Å; W538-L543 HydrophobicContact CG-CD1 4.27Å
539	K	78.2	Confident	86.9	Confident	186 Å²	186	89 Å²	89	81%	0.809	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	41.7	178.5	-62	-175	176.9	-174.1	0	114.1	K541	K539-K541 VanDerWaalsContact C-N 3.32Å; K539-K541 PolarHBondContact O-N 3.46Å
540	G	79.9	Confident	86.9	Confident	54 Å²	54	90 Å²	90	56%	0.557	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-2.3	179.5	0	0	0	0	0	115.9	W538	W538-G540 PolarHBondContact O-N 2.61Å; W538-G540 VanDerWaalsContact O-N 3.1Å
541	K	76.6	Confident	86.8	Confident	137 Å²	137	83.8 Å²	83.8	60%	0.596	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	146.2	177.3	-65.7	-170.3	175.5	-169.6	0	111.6	Y537 W538 K539	Y537-K541 WeakPolarHBondContact CA-O 3.35Å; Y537-K541 WeakPolarHBondContact CD2-O 3.28Å; W538-K541 PolarHBondContact N-O 3.3Å; W538-K541 PolarHBondContact O-N 3.16Å; K539-K541 VanDerWaalsContact C-N 3.32Å; K539-K541 PolarHBondContact O-N 3.46Å
542	H	79.1	Confident	86.7	Confident	129 Å²	129	83.5 Å²	83.5	60%	0.597	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	136.1	161.9	-72.1	-78.5	0	0	0	109.8	L535 K536 Y537	L535-H542 HydrophobicContact CD1-CB 4.17Å; K536-H542 WeakPolarHBondContact O-CA 3.24Å; Y537-H542 AromaticContact CD2-CE1 3.68Å; Y537-H542 AromaticContact CD2-ND1 3.88Å; Y537-H542 AromaticContact CD2-NE2 3.83Å
543	L	81.7	Confident	86.6	Confident	82 Å²	82	85.6 Å²	85.6	43%	0.429	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138	177.6	-61.8	178.3	0	0	0	109.4	K536 W538	K536-L543 PolarHBondContact N-O 3.07Å; K536-L543 PolarHBondContact O-N 3.27Å; W538-L543 HydrophobicContact CB-CD1 3.73Å; W538-L543 HydrophobicContact CB-CG 4.42Å; W538-L543 HydrophobicContact CG-CD1 4.27Å
544	V	85.4	Confident	86.5	Confident	38 Å²	38	80.9 Å²	80.9	23%	0.23	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110.6	174.6	-174.3	0	0	0	0	108.9	M501 I511 L529 M534 K546	M501-V544 HydrophobicContact CE-CG1 3.64Å; M501-V544 HydrophobicContact SD-CG1 4.06Å; I511-V544 HydrophobicContact CD1-CG2 4.42Å; L529-V544 HydrophobicContact CD1-CG1 4.34Å; L529-V544 HydrophobicContact CD1-CG2 4.21Å; L529-V544 HydrophobicContact CD2-CG1 4.15Å; M534-V544 CarbonylContact O-C 3.4Å; M534-V544 WeakPolarHBondContact O-CA 3.44Å; V544-K546 PolarHBondContact O-N 3.46Å
545	L	84.8	Confident	86.4	Confident	88 Å²	88	85.2 Å²	85.2	46%	0.461	40%	0.4	S	S	.	.			trans	-80.9	112.4	177.9	179.5	64.5	0	0	0	110.1	M534 R547	M534-L545 WeakPolarHBondContact CE-O 3.46Å; M534-L545 PolarHBondContact O-N 2.93Å; L545-R547 HydrophobicContact CD2-CG 4.29Å; L545-R547 HydrophobicContact CG-CG 4.33Å; L545-R547 PolarHBondContact O-N 3.2Å
546	K	87.3	Confident	86.3	Confident	87 Å²	87	86 Å²	86	38%	0.378	41%	0.411	S	S	.	.			trans	-70.3	90.2	171.8	-173.9	165.9	173.8	163.6	0	109.9	M501 F504 V544 Q548 I551	M501-K546 HydrophobicContact CE-CB 3.93Å; M501-K546 HydrophobicContact CE-CG 4.24Å; M501-K546 WeakPolarHBondContact O-CE 3.3Å; M501-K546 PolarHBondContact O-NZ 3.06Å; F504-K546 PolarHBondContact O-NZ 3.47Å; V544-K546 PolarHBondContact O-N 3.46Å; K546-Q548 PolarHBondContact O-N 2.86Å; K546-I551 HydrophobicContact CD-CD1 4.28Å; K546-I551 HydrophobicContact CG-CD1 3.72Å
547	R	89.3	Confident	86.3	Confident	65 Å²	65	85.7 Å²	85.7	25%	0.245	41%	0.41	C	S	.	.			trans	-72.7	97	173.5	-85.4	-170.1	72.2	161.7	8.2	110.8	L532 M534 L545 D549 L550 I551	L532-R547 PolarHBondContact O-NH1 3.03Å; M534-R547 HydrophobicContact CE-CB 4.25Å; M534-R547 HydrophobicContact CG-CB 4.11Å; M534-R547 HydrophobicContact CG-CG 4Å; M534-R547 HydrophobicContact SD-CB 4.35Å; L545-R547 HydrophobicContact CD2-CG 4.29Å; L545-R547 HydrophobicContact CG-CG 4.33Å; L545-R547 PolarHBondContact O-N 3.2Å; R547-D549 VanDerWaalsContact C-N 3.27Å; R547-D549 VanDerWaalsContact CB-OD1 3.23Å; R547-D549 WeakPolarHBondContact CB-OD1 3.23Å; R547-D549 IonicContact CZ-OD2 3.53Å; R547-D549 IonicContact NE-OD1 2.65Å; R547-D549 PolarHBondContact NE-OD1 2.9Å; R547-D549 IonicContact NE-OD2 3.89Å; R547-D549 PolarHBondContact NE-OD2 3.02Å; R547-D549 IonicContact NH2-OD2 3.27Å; R547-D549 PolarHBondContact NH2-OD2 3.41Å; R547-D549 PolarHBondContact O-N 3Å; R547-L550 HydrophobicContact CB-CB 4.25Å; R547-L550 HydrophobicContact CB-CD1 3.95Å; R547-L550 HydrophobicContact CB-CG 4.02Å; R547-L550 HydrophobicContact CG-CD1 4.45Å; R547-L550 PolarHBondContact O-N 2.92Å; R547-I551 PolarHBondContact O-N 3.02Å
548	Q	91.2	Very high	86.3	Confident	92 Å²	92	81 Å²	81	43%	0.43	39%	0.394	S	S	.	.	H	α-helix	trans	-63.3	-35.1	-178.7	-168.7	56.7	41.3	0	0	112	K546 L550 I551 D552	K546-Q548 PolarHBondContact O-N 2.86Å; Q548-L550 VanDerWaalsContact C-N 3.3Å; Q548-L550 PolarHBondContact O-N 3.14Å; Q548-I551 WeakPolarHBondContact O-CB 3.45Å; Q548-I551 PolarHBondContact O-N 3.39Å; Q548-D552 PolarHBondContact NE2-OD1 3.37Å; Q548-D552 PolarHBondContact O-N 3.15Å
549	D	93.3	Very high	86.4	Confident	84 Å²	84	78.9 Å²	78.9	45%	0.449	39%	0.394	S	S	.	.	H	α-helix	trans	-54.7	-41.4	174.7	63.2	-55.3	0	0	0	113.3	R547 E553	R547-D549 VanDerWaalsContact C-N 3.27Å; R547-D549 VanDerWaalsContact CB-OD1 3.23Å; R547-D549 WeakPolarHBondContact CB-OD1 3.23Å; R547-D549 IonicContact CZ-OD2 3.53Å; R547-D549 IonicContact NE-OD1 2.65Å; R547-D549 PolarHBondContact NE-OD1 2.9Å; R547-D549 IonicContact NE-OD2 3.89Å; R547-D549 PolarHBondContact NE-OD2 3.02Å; R547-D549 IonicContact NH2-OD2 3.27Å; R547-D549 PolarHBondContact NH2-OD2 3.41Å; R547-D549 PolarHBondContact O-N 3Å; D549-E553 WeakPolarHBondContact O-CB 3.35Å; D549-E553 PolarHBondContact O-N 3.01Å
550	L	93.1	Very high	86.4	Confident	20 Å²	20	79 Å²	79	11%	0.105	39%	0.394	C	S	.	.	H	α-helix	trans	-75.6	-29.9	177.1	-62.2	-178.5	0	0	0	112.6	L498 L532 M534 R547 Q548 W554	L498-L550 HydrophobicContact CD1-CB 4.34Å; L498-L550 HydrophobicContact CD2-CB 3.9Å; L532-L550 HydrophobicContact CB-CD1 4.08Å; L532-L550 HydrophobicContact CD2-CD1 4.34Å; M534-L550 HydrophobicContact CG-CD1 4.31Å; M534-L550 HydrophobicContact SD-CD1 3.9Å; R547-L550 HydrophobicContact CB-CB 4.25Å; R547-L550 HydrophobicContact CB-CD1 3.95Å; R547-L550 HydrophobicContact CB-CG 4.02Å; R547-L550 HydrophobicContact CG-CD1 4.45Å; R547-L550 PolarHBondContact O-N 2.92Å; Q548-L550 VanDerWaalsContact C-N 3.3Å; Q548-L550 PolarHBondContact O-N 3.14Å; L550-W554 WeakPolarHBondContact O-CB 3.41Å; L550-W554 PolarHBondContact O-N 2.91Å
551	I	91.8	Very high	86.1	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-71.3	-41.2	176.2	-69.1	172.7	0	0	0	110.1	L498 M501 H502 K546 R547 Q548 W554 K555	L498-I551 HydrophobicContact CD2-CG1 3.87Å; M501-I551 HydrophobicContact CB-CD1 4.29Å; H502-I551 HydrophobicContact CB-CG2 3.95Å; K546-I551 HydrophobicContact CD-CD1 4.28Å; K546-I551 HydrophobicContact CG-CD1 3.72Å; R547-I551 PolarHBondContact O-N 3.02Å; Q548-I551 WeakPolarHBondContact O-CB 3.45Å; Q548-I551 PolarHBondContact O-N 3.39Å; I551-W554 HydrophobicContact CG2-CE3 4.5Å; I551-W554 PolarHBondContact O-N 3.5Å; I551-K555 VanDerWaalsContact O-CB 3.3Å; I551-K555 WeakPolarHBondContact O-CB 3.37Å; I551-K555 PolarHBondContact O-N 3.34Å
552	D	92.7	Very high	85.1	Confident	80 Å²	80	77.5 Å²	77.5	43%	0.428	39%	0.387	S	S	.	.	H	α-helix	trans	-72	-38.5	177.8	-61.4	-27.5	0	0	0	111.4	Q548 W554 K555 A556	Q548-D552 PolarHBondContact NE2-OD1 3.37Å; Q548-D552 PolarHBondContact O-N 3.15Å; D552-W554 VanDerWaalsContact C-N 3.3Å; D552-W554 PolarHBondContact O-N 3.49Å; D552-K555 PolarHBondContact O-N 3.48Å; D552-A556 WeakPolarHBondContact O-CB 3.4Å; D552-A556 PolarHBondContact O-N 2.68Å
553	E	92.1	Very high	83.9	Confident	62 Å²	62	79.2 Å²	79.2	29%	0.29	40%	0.4	S	S	.	.	H	α-helix	trans	-55.9	-44.1	169	-172.4	-132.7	152.5	0	0	111.7	K494 D549 K557	K494-E553 IonicContact NZ-OE1 3.94Å; K494-E553 PolarHBondContact NZ-OE1 3.28Å; K494-E553 IonicContact NZ-OE2 2.96Å; K494-E553 PolarHBondContact NZ-OE2 3.41Å; D549-E553 WeakPolarHBondContact O-CB 3.35Å; D549-E553 PolarHBondContact O-N 3.01Å; E553-K557 WeakPolarHBondContact O-CG 3.47Å; E553-K557 PolarHBondContact O-N 3.34Å; E553-K557 WeakPolarHBondContact OE1-CE 3.44Å; E553-K557 IonicContact OE1-NZ 2.68Å; E553-K557 PolarHBondContact OE1-NZ 2.98Å
554	W	91.1	Very high	83.1	Confident	25 Å²	25	78.2 Å²	78.2	10%	0.095	40%	0.401	C	S	.	.	H	α-helix	trans	-67.9	-46.7	176.4	165.6	73.4	0	0	0	112	E495 L498 R499 H502 L550 I551 D552 A556 K557 E558	E495-W554 VanDerWaalsContact CG-NE1 3.28Å; L498-W554 HydrophobicContact CB-CB 4.21Å; L498-W554 HydrophobicContact CB-CD2 4.21Å; L498-W554 HydrophobicContact CB-CG 4.01Å; L498-W554 HydrophobicContact CD1-CB 3.92Å; L498-W554 HydrophobicContact CD1-CG 4.43Å; R499-W554 HydrophobicContact CB-CH2 3.96Å; R499-W554 HydrophobicContact CB-CZ2 3.57Å; R499-W554 HydrophobicContact CG-CH2 3.82Å; R499-W554 HydrophobicContact CG-CZ2 3.62Å; H502-W554 HydrophobicContact CB-CE3 4.36Å; H502-W554 HydrophobicContact CB-CH2 4.37Å; H502-W554 HydrophobicContact CB-CZ3 3.64Å; H502-W554 AromaticContact CG-CZ3 3.71Å; L550-W554 WeakPolarHBondContact O-CB 3.41Å; L550-W554 PolarHBondContact O-N 2.91Å; I551-W554 HydrophobicContact CG2-CE3 4.5Å; I551-W554 PolarHBondContact O-N 3.5Å; D552-W554 VanDerWaalsContact C-N 3.3Å; D552-W554 PolarHBondContact O-N 3.49Å; W554-A556 PolarHBondContact O-N 3.15Å; W554-K557 CarbonylContact O-C 3.56Å; W554-K557 WeakPolarHBondContact O-CA 3.49Å; W554-K557 WeakPolarHBondContact O-CB 2.87Å; W554-K557 PolarHBondContact O-N 2.93Å; W554-E558 HydrophobicContact CD2-CG 4.11Å; W554-E558 VanDerWaalsContact CE2-CG 3.41Å; W554-E558 HydrophobicContact CG-CG 4.48Å; W554-E558 HydrophobicContact CH2-CG 4.29Å; W554-E558 HydrophobicContact CZ2-CG 3.52Å; W554-E558 WeakPolarHBondContact CZ2-OE2 3.28Å; W554-E558 PolarHBondContact O-N 3.39Å
555	K	88.7	Confident	82.2	Confident	92 Å²	92	83.5 Å²	83.5	40%	0.4	43%	0.428	S	S	.	.	H	α-helix	trans	-62.1	-41.5	-179.4	-171	170	-174.7	164.3	0	112.1	H502 I551 D552 K557 E558 I559	H502-K555 PolarHBondContact NE2-NZ 2.82Å; I551-K555 VanDerWaalsContact O-CB 3.3Å; I551-K555 WeakPolarHBondContact O-CB 3.37Å; I551-K555 PolarHBondContact O-N 3.34Å; D552-K555 PolarHBondContact O-N 3.48Å; K555-K557 VanDerWaalsContact C-N 3.25Å; K555-K557 PolarHBondContact O-N 3.29Å; K555-E558 PolarHBondContact O-N 3.23Å; K555-I559 HydrophobicContact CG-CD1 4.29Å; K555-I559 VanDerWaalsContact O-CG1 3.31Å; K555-I559 WeakPolarHBondContact O-CG1 3.44Å; K555-I559 PolarHBondContact O-N 3.03Å
556	A	89.3	Confident	82.1	Confident	50 Å²	50	81.6 Å²	81.6	41%	0.413	42%	0.416	S	S	.	.	H	α-helix	trans	-63.3	-30.8	172.3	0	0	0	0	0	112.7	D552 W554 K560	D552-A556 WeakPolarHBondContact O-CB 3.4Å; D552-A556 PolarHBondContact O-N 2.68Å; W554-A556 PolarHBondContact O-N 3.15Å; A556-K560 WeakPolarHBondContact O-CG 3.22Å; A556-K560 PolarHBondContact O-N 2.99Å
557	K	85.4	Confident	82.1	Confident	105 Å²	105	81 Å²	81	46%	0.457	42%	0.419	S	S	.	.	H	α-helix	trans	-76.9	-37	174.1	-75.5	173.3	177.2	179.9	0	112.7	E553 W554 K555 K560 R561	E553-K557 WeakPolarHBondContact O-CG 3.47Å; E553-K557 PolarHBondContact O-N 3.34Å; E553-K557 WeakPolarHBondContact OE1-CE 3.44Å; E553-K557 IonicContact OE1-NZ 2.68Å; E553-K557 PolarHBondContact OE1-NZ 2.98Å; W554-K557 CarbonylContact O-C 3.56Å; W554-K557 WeakPolarHBondContact O-CA 3.49Å; W554-K557 WeakPolarHBondContact O-CB 2.87Å; W554-K557 PolarHBondContact O-N 2.93Å; K555-K557 VanDerWaalsContact C-N 3.25Å; K555-K557 PolarHBondContact O-N 3.29Å; K557-K560 PolarHBondContact O-N 3.17Å; K557-R561 WeakPolarHBondContact O-CB 3.48Å; K557-R561 VanDerWaalsContact O-CD 3.27Å; K557-R561 WeakPolarHBondContact O-CD 3.17Å; K557-R561 WeakPolarHBondContact O-CG 3.44Å; K557-R561 PolarHBondContact O-N 3.29Å; K557-R561 VanDerWaalsContact O-N 3.11Å
558	E	81.5	Confident	82.4	Confident	54 Å²	54	78.7 Å²	78.7	25%	0.252	41%	0.411	S	S	.	.	H	α-helix	trans	-63.2	-45.9	172.1	-67.3	-71.6	74.3	0	0	111.3	W554 K555 K560 R561 G562	W554-E558 HydrophobicContact CD2-CG 4.11Å; W554-E558 VanDerWaalsContact CE2-CG 3.41Å; W554-E558 HydrophobicContact CG-CG 4.48Å; W554-E558 HydrophobicContact CH2-CG 4.29Å; W554-E558 HydrophobicContact CZ2-CG 3.52Å; W554-E558 WeakPolarHBondContact CZ2-OE2 3.28Å; W554-E558 PolarHBondContact O-N 3.39Å; K555-E558 PolarHBondContact O-N 3.23Å; E558-K560 VanDerWaalsContact C-N 3.33Å; E558-K560 PolarHBondContact O-N 3.49Å; E558-R561 CarbonylContact O-C 3.59Å; E558-R561 WeakPolarHBondContact O-CA 3.38Å; E558-R561 WeakPolarHBondContact O-CB 3.28Å; E558-R561 PolarHBondContact O-N 2.97Å; E558-R561 IonicContact OE1-NH1 3.36Å; E558-R561 PolarHBondContact OE1-NH1 3.26Å; E558-R561 VanDerWaalsContact OE1-NH1 3.12Å; E558-G562 PolarHBondContact O-N 3.24Å
559	I	81.8	Confident	82.5	Confident	126 Å²	126	76.2 Å²	76.2	65%	0.646	40%	0.401	S	S	*	.	H	α-helix	trans	-58.8	-45.7	177.2	-67.5	163.9	0	0	0	110.5	K555 R561 G562	K555-I559 HydrophobicContact CG-CD1 4.29Å; K555-I559 VanDerWaalsContact O-CG1 3.31Å; K555-I559 WeakPolarHBondContact O-CG1 3.44Å; K555-I559 PolarHBondContact O-N 3.03Å; I559-R561 PolarHBondContact O-N 3.04Å; I559-G562 PolarHBondContact O-N 3.09Å; I559-G562 VanDerWaalsContact O-N 3.12Å
560	K	78.9	Confident	82.6	Confident	188 Å²	188	76.4 Å²	76.4	82%	0.817	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-13	174.2	-73.3	179.4	178.6	-175.3	0	114.4	A556 K557 E558	A556-K560 WeakPolarHBondContact O-CG 3.22Å; A556-K560 PolarHBondContact O-N 2.99Å; K557-K560 PolarHBondContact O-N 3.17Å; E558-K560 VanDerWaalsContact C-N 3.33Å; E558-K560 PolarHBondContact O-N 3.49Å
561	R	72.6	Confident	82.8	Confident	100 Å²	100	80.2 Å²	80.2	38%	0.377	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-2.8	174.8	-72.2	163.6	169.7	-175.8	-8	113.5	E495 K557 E558 I559 N563 S564	E495-R561 IonicContact OE2-CZ 2.81Å; E495-R561 IonicContact OE2-NH1 2.8Å; E495-R561 PolarHBondContact OE2-NH1 2.93Å; E495-R561 IonicContact OE2-NH2 3.53Å; K557-R561 WeakPolarHBondContact O-CB 3.48Å; K557-R561 VanDerWaalsContact O-CD 3.27Å; K557-R561 WeakPolarHBondContact O-CD 3.17Å; K557-R561 WeakPolarHBondContact O-CG 3.44Å; K557-R561 PolarHBondContact O-N 3.29Å; K557-R561 VanDerWaalsContact O-N 3.11Å; E558-R561 CarbonylContact O-C 3.59Å; E558-R561 WeakPolarHBondContact O-CA 3.38Å; E558-R561 WeakPolarHBondContact O-CB 3.28Å; E558-R561 PolarHBondContact O-N 2.97Å; E558-R561 IonicContact OE1-NH1 3.36Å; E558-R561 PolarHBondContact OE1-NH1 3.26Å; E558-R561 VanDerWaalsContact OE1-NH1 3.12Å; I559-R561 PolarHBondContact O-N 3.04Å; R561-N563 PolarHBondContact O-N 3.25Å; R561-S564 VanDerWaalsContact O-CB 3.24Å; R561-S564 WeakPolarHBondContact O-CB 3.44Å; R561-S564 PolarHBondContact O-N 3.47Å
562	G	55.3	Low	83	Confident	61 Å²	61	81.4 Å²	81.4	63%	0.629	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.5	-173.3	0	0	0	0	0	114.7	E558 I559 S564	E558-G562 PolarHBondContact O-N 3.24Å; I559-G562 PolarHBondContact O-N 3.09Å; I559-G562 VanDerWaalsContact O-N 3.12Å; G562-S564 VanDerWaalsContact C-N 3.34Å
563	N	54.9	Low	83.3	Confident	164 Å²	164	78.8 Å²	78.8	88%	0.877	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	6.1	178.4	-60.6	28	0	0	0	113.6	R561	R561-N563 PolarHBondContact O-N 3.25Å
564	S	65.3	Low	83.5	Confident	62 Å²	62	84.4 Å²	84.4	43%	0.434	45%	0.453	S	S	.	.			trans	-98	106.9	-177.5	-172.5	0	0	0	0	111.9	R561 G562 K566	R561-S564 VanDerWaalsContact O-CB 3.24Å; R561-S564 WeakPolarHBondContact O-CB 3.44Å; R561-S564 PolarHBondContact O-N 3.47Å; G562-S564 VanDerWaalsContact C-N 3.34Å; S564-K566 PolarHBondContact O-N 3.02Å
565	N	65.9	Low	83.7	Confident	149 Å²	149	84.6 Å²	84.6	80%	0.797	45%	0.454	S	S	*	.			trans	-68.3	20.9	176.1	-67.7	-24.1	0	0	0	114.4
566	K	81.9	Confident	83.9	Confident	48 Å²	48	85.6 Å²	85.6	21%	0.209	47%	0.468	C	S	.	.			trans	-107	54.5	-174	-57.8	-62.4	-177.8	179.4	0	111.6	E418 F456 M459 S564	E418-K566 IonicContact OE1-NZ 3.14Å; E418-K566 PolarHBondContact OE1-NZ 2.82Å; F456-K566 HydrophobicContact CD1-CD 4.43Å; F456-K566 HydrophobicContact CE1-CD 4.14Å; F456-K566 HydrophobicContact CZ-CD 4.44Å; M459-K566 HydrophobicContact CG-CB 4.42Å; M459-K566 WeakPolarHBondContact CG-O 3.32Å; M459-K566 VanDerWaalsContact SD-C 3.56Å; M459-K566 WeakPolarHBondContact SD-CA 3.3Å; M459-K566 HydrophobicContact SD-CB 3.68Å; M459-K566 HydrophobicContact SD-CD 3.87Å; M459-K566 HydrophobicContact SD-CG 4.36Å; S564-K566 PolarHBondContact O-N 3.02Å
567	T	88.4	Confident	83.9	Confident	73 Å²	73	85.6 Å²	85.6	45%	0.448	46%	0.463	S	S	.	.	S	Bend	trans	-126.7	150.2	174.1	51.6	0	0	0	0	110.4
568	I	94.4	Very high	83.5	Confident	17 Å²	17	82.7 Å²	82.7	9%	0.087	46%	0.455	C	S	.	.			trans	-84.2	138.2	172.5	-64.5	-59.6	0	0	0	109.3	Y369 M416 M459 D462 F463 L466	Y369-I568 HydrophobicContact CE1-CD1 4.37Å; Y369-I568 HydrophobicContact CE2-CG2 4.02Å; M416-I568 HydrophobicContact CE-CD1 4.18Å; M459-I568 HydrophobicContact CB-CD1 4.01Å; M459-I568 HydrophobicContact CB-CG1 4.16Å; M459-I568 HydrophobicContact CE-CD1 3.92Å; M459-I568 VanDerWaalsContact O-CG1 3.32Å; M459-I568 WeakPolarHBondContact O-CG1 3.49Å; D462-I568 HydrophobicContact CB-CB 4.31Å; D462-I568 HydrophobicContact CB-CG1 3.97Å; F463-I568 HydrophobicContact CB-CD1 4.24Å; F463-I568 HydrophobicContact CB-CG1 4.2Å; F463-I568 HydrophobicContact CD2-CD1 4.13Å; F463-I568 HydrophobicContact CD2-CG2 4.11Å; L466-I568 HydrophobicContact CD2-CG2 3.59Å
569	D	94.8	Very high	82.3	Confident	41 Å²	41	90.8 Å²	90.8	22%	0.219	49%	0.49	C	S	.	.			trans	-112.4	111.5	179.4	-168.1	-37.7	0	0	0	110.8	Y369 K371 S571 S572	Y369-D569 WeakPolarHBondContact CE2-O 3.41Å; Y369-D569 PolarHBondContact OH-N 3.32Å; Y369-D569 VanDerWaalsContact OH-N 3.1Å; K371-D569 HydrophobicContact CD-CB 3.54Å; K371-D569 IonicContact NZ-OD2 2.67Å; K371-D569 PolarHBondContact NZ-OD2 2.9Å; D569-S571 PolarHBondContact O-N 3.34Å; D569-S571 VanDerWaalsContact O-N 3.11Å; D569-S571 WeakPolarHBondContact OD1-CB 3.35Å; D569-S571 PolarHBondContact OD1-N 2.94Å; D569-S571 PolarHBondContact OD1-OG 3Å; D569-S572 WeakPolarHBondContact O-CB 3.46Å; D569-S572 PolarHBondContact O-N 3.37Å
570	P	95.6	Very high	81.1	Confident	88 Å²	88	88 Å²	88	57%	0.571	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-55.7	-28.3	179.6	-27.5	36.1	0	0	0	114.5	L466 S572 L573	L466-P570 HydrophobicContact CD1-CB 4Å; L466-P570 HydrophobicContact CD1-CG 4.11Å; P570-S572 VanDerWaalsContact C-N 3.26Å; P570-S572 PolarHBondContact O-N 3.27Å; P570-L573 PolarHBondContact O-N 3.43Å
571	S	96.4	Very high	79.2	Confident	100 Å²	100	82.7 Å²	82.7	70%	0.699	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-72.7	-18.3	178	72	0	0	0	0	113.6	D569	D569-S571 PolarHBondContact O-N 3.34Å; D569-S571 VanDerWaalsContact O-N 3.11Å; D569-S571 WeakPolarHBondContact OD1-CB 3.35Å; D569-S571 PolarHBondContact OD1-N 2.94Å; D569-S571 PolarHBondContact OD1-OG 3Å
572	S	96.4	Very high	79.5	Confident	24 Å²	24	81.8 Å²	81.8	17%	0.168	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-93	1.8	-179	-58	0	0	0	0	113.4	Y369 R370 D569 P570	Y369-S572 WeakPolarHBondContact CD2-O 3.45Å; R370-S572 PolarHBondContact N-O 3.08Å; D569-S572 WeakPolarHBondContact O-CB 3.46Å; D569-S572 PolarHBondContact O-N 3.37Å; P570-S572 VanDerWaalsContact C-N 3.26Å; P570-S572 PolarHBondContact O-N 3.27Å
573	L	97.7	Very high	80.8	Confident	26 Å²	26	82.9 Å²	82.9	14%	0.136	47%	0.473	C	S	.	.	B	Isolated β-bridge	trans	-86.3	126.4	174.6	-177.1	74.7	0	0	0	110.6	Y369 F463 L466 L467 V470 P570 W575	Y369-L573 HydrophobicContact CD2-CB 4.47Å; F463-L573 HydrophobicContact CE2-CD1 3.64Å; F463-L573 HydrophobicContact CZ-CD1 3.56Å; L466-L573 HydrophobicContact CD2-CB 4.24Å; L466-L573 HydrophobicContact CD2-CD2 4.02Å; L466-L573 HydrophobicContact CG-CD2 4.03Å; L467-L573 HydrophobicContact CD2-CD1 4.4Å; V470-L573 HydrophobicContact CG2-CD2 3.96Å; P570-L573 PolarHBondContact O-N 3.43Å; L573-W575 HydrophobicContact CD1-CB 3.76Å; L573-W575 HydrophobicContact CD2-CB 4.19Å; L573-W575 HydrophobicContact CG-CB 3.81Å
574	K	96.5	Very high	82.3	Confident	179 Å²	179	78.4 Å²	78.4	78%	0.778	45%	0.45	S	S	*	.			trans	-118.2	73.8	173.8	-66.2	179.9	-178.9	175.9	0	109	V368	V368-K574 PolarHBondContact O-N 3Å
575	W	96.9	Very high	83.3	Confident	29 Å²	29	79.4 Å²	79.4	11%	0.11	45%	0.451	C	S	.	.			trans	-143.9	151.1	-172.5	-172.8	77.7	0	0	0	112.1	V368 E378 L467 V470 E471 L573 P577	V368-W575 HydrophobicContact CB-CB 4.32Å; E378-W575 PolarHBondContact OE1-NE1 3.44Å; L467-W575 HydrophobicContact CB-CZ3 4.46Å; L467-W575 HydrophobicContact CD2-CD2 3.64Å; L467-W575 HydrophobicContact CD2-CE3 3.7Å; L467-W575 HydrophobicContact CD2-CG 4.14Å; L467-W575 HydrophobicContact CD2-CH2 4.22Å; L467-W575 HydrophobicContact CD2-CZ2 4.16Å; L467-W575 HydrophobicContact CD2-CZ3 4Å; V470-W575 HydrophobicContact CB-CE3 4.16Å; V470-W575 HydrophobicContact CB-CZ3 4.05Å; V470-W575 HydrophobicContact CG1-CE3 3.77Å; V470-W575 HydrophobicContact CG1-CZ3 3.88Å; E471-W575 HydrophobicContact CG-CH2 3.6Å; E471-W575 HydrophobicContact CG-CZ3 3.91Å; L573-W575 HydrophobicContact CD1-CB 3.76Å; L573-W575 HydrophobicContact CD2-CB 4.19Å; L573-W575 HydrophobicContact CG-CB 3.81Å; W575-P577 HydrophobicContact CH2-CB 4.2Å; W575-P577 HydrophobicContact CH2-CG 4.07Å; W575-P577 HydrophobicContact CZ3-CB 4.45Å; W575-P577 HydrophobicContact CZ3-CG 3.84Å
576	T	91.6	Very high	84.3	Confident	113 Å²	113	75 Å²	75	69%	0.693	43%	0.43	S	S	*	.			trans	-141.4	141.8	172.7	56.1	0	0	0	0	109
577	P	88.7	Confident	84.5	Confident	50 Å²	50	76.8 Å²	76.8	33%	0.325	44%	0.444	S	S	.	.			trans	-53.1	132.6	-178.7	-28.3	35.9	0	0	0	113.3	E471 W575 K579	E471-P577 HydrophobicContact CG-CB 4.33Å; E471-P577 HydrophobicContact CG-CG 4.04Å; W575-P577 HydrophobicContact CH2-CB 4.2Å; W575-P577 HydrophobicContact CH2-CG 4.07Å; W575-P577 HydrophobicContact CZ3-CB 4.45Å; W575-P577 HydrophobicContact CZ3-CG 3.84Å; P577-K579 PolarHBondContact O-N 3.27Å
578	P	77	Confident	84.2	Confident	45 Å²	45	77.1 Å²	77.1	29%	0.292	44%	0.444	S	S	.	.			trans	-57.3	133.8	176.5	-26.4	34.7	0	0	0	112	L412 G580 T581	L412-P578 HydrophobicContact CD1-CG 4.27Å; P578-G580 PolarHBondContact O-N 2.98Å; P578-T581 HydrophobicContact CB-CG2 4.15Å; P578-T581 PolarHBondContact O-OG1 2.8Å
579	K	58.2	Low	83.4	Confident	223 Å²	223	81.7 Å²	81.7	97%	0.97	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	95.5	-177.8	-66.2	-177.5	-179.2	178.7	0	111.1	P577	P577-K579 PolarHBondContact O-N 3.27Å
580	G	54.6	Low	82.5	Confident	68 Å²	68	85.1 Å²	85.1	70%	0.701	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	142.2	8.9	176.5	0	0	0	0	0	116.7	P578	P578-G580 PolarHBondContact O-N 2.98Å
581	T	40.3	Very low	81.3	Confident	76 Å²	76	84.8 Å²	84.8	47%	0.466	49%	0.485	S	S	.	.			trans	-109.1	0	-174.3	62.1	0	0	0	0	115	K434 K473 P578	K434-T581 WeakPolarHBondContact O-CG2 2.86Å; K473-T581 PolarHBondContact NZ-O 3.06Å; K473-T581 PolarHBondContact NZ-OXT 3.04Å; P578-T581 HydrophobicContact CB-CG2 4.15Å; P578-T581 PolarHBondContact O-OG1 2.8Å

Retrieved 581 of 581 residues in 155.1 ms (Link to these results)

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