A0A087XM66_POEFO Loading...

Pseudouridylate synthase RPUSD2

Pseudouridine synthase that catalyzes pseudouridylation of mRNAs.

AlphaFold DB , UniProt , Accession A0A087XM66, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 545 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	35.3	Very low	29.3	Very low	232 Å²	232	141.6 Å²	141.6	100%	1.143	83%	0.831	S	S	*	*				0	121.3	0	-74.3	162.6	171.6	0	0	107.2
2	T	31.8	Very low	28.7	Very low	129 Å²	129	143.7 Å²	143.7	79%	0.791	83%	0.83	S	S	*	*			trans	31	132.1	140.2	55.9	0	0	0	0	118.9
3	S	26.6	Very low	28.2	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	83%	0.827	S	S	*	*			cis	169	162.5	-4.8	38.1	0	0	0	0	106.1
4	S	27	Very low	28	Very low	110 Å²	110	144.9 Å²	144.9	77%	0.769	83%	0.826	S	S	*	*			trans	-58.1	-179.2	164.7	-39.2	0	0	0	0	112.2
5	P	47.5	Very low	27.6	Very low	119 Å²	119	151.1 Å²	151.1	77%	0.773	83%	0.831	S	S	*	*			cis	-147.9	-175.1	11.1	41.6	-19.4	0	0	0	118.6
6	C	25.2	Very low	27.3	Very low	114 Å²	114	148.9 Å²	148.9	77%	0.77	83%	0.829	S	S	*	*			trans	-27.9	147.5	147.7	178.8	0	0	0	0	117.3
7	A	27.5	Very low	27.2	Very low	91 Å²	91	146.3 Å²	146.3	75%	0.752	82%	0.824	S	S	*	*			trans	-151.6	110.2	145.7	0	0	0	0	0	112.6
8	Q	28.1	Very low	27.1	Very low	189 Å²	189	142.8 Å²	142.8	88%	0.883	82%	0.816	S	S	*	*			trans	-93.2	125.5	148.9	-85.8	-178.1	-21.3	0	0	107.9
9	T	25.9	Very low	26.9	Very low	134 Å²	134	147.7 Å²	147.7	82%	0.822	82%	0.82	S	S	*	*			trans	-144.8	134.8	165	-21.4	0	0	0	0	111.8
10	R	23.6	Very low	26.8	Very low	236 Å²	236	145.1 Å²	145.1	89%	0.891	81%	0.812	S	S	*	*			trans	-81	147.8	172.9	-79.5	171.6	157.7	175	-6.9	111.3
11	A	24.1	Very low	26.6	Very low	95 Å²	95	147.6 Å²	147.6	79%	0.785	82%	0.815	S	S	*	*			trans	54.2	132.2	140.9	0	0	0	0	0	121.1
12	M	22.2	Very low	26	Very low	166 Å²	166	143.3 Å²	143.3	82%	0.818	80%	0.796	S	S	*	*				-173.3	133.5	115.9	-103.1	-174.7	-169.4	0	0	113.7
13	H	22.3	Very low	25.6	Very low	170 Å²	170	143.2 Å²	143.2	79%	0.787	79%	0.79	S	S	*	*			trans	64	151.6	155.5	-64.2	-5.3	0	0	0	117
14	V	24.6	Very low	25.5	Very low	135 Å²	135	145.8 Å²	145.8	82%	0.818	79%	0.788	S	S	*	*			cis	-141.6	160.5	41.6	170.7	0	0	0	0	113.4
15	R	22.2	Very low	25.2	Very low	237 Å²	237	147.5 Å²	147.5	89%	0.894	79%	0.787	S	S	*	*			trans	-50.1	152.8	175.3	-55.1	161.3	172.1	168.9	-5.1	115.6
16	S	22.7	Very low	24.1	Very low	116 Å²	116	149.9 Å²	149.9	81%	0.811	79%	0.788	S	S	*	*				152.8	146.6	105.3	-164.6	0	0	0	0	115.4
17	S	26	Very low	24.8	Very low	105 Å²	105	148.8 Å²	148.8	73%	0.734	78%	0.779	S	S	*	*			trans	64.5	121.8	167.9	-142.2	0	0	0	0	117.4
18	A	24.5	Very low	24.7	Very low	83 Å²	83	152.5 Å²	152.5	69%	0.686	78%	0.781	S	S	*	*			cis	65.5	132.6	44.2	0	0	0	0	0	112.9
19	R	24.7	Very low	24.5	Very low	237 Å²	237	147.8 Å²	147.8	89%	0.894	77%	0.769	S	S	*	*			cis	-158.8	158.3	14.8	-137.6	174.5	-170.7	-172.8	2.5	112.2
20	S	24.2	Very low	24.5	Very low	94 Å²	94	152.1 Å²	152.1	66%	0.657	77%	0.77	S	S	*	*			trans	-2	147.9	155.9	-48.5	0	0	0	0	120.2
21	F	22.6	Very low	24.5	Very low	198 Å²	198	151 Å²	151	87%	0.868	77%	0.772	S	S	*	*				-144.7	155	70.5	-112.7	-95.4	0	0	0	118
22	L	22.8	Very low	24.5	Very low	143 Å²	143	156.6 Å²	156.6	75%	0.749	77%	0.773	S	S	*	*			trans	-109.2	-175.7	-174.7	-109.6	161.1	0	0	0	111.5
23	L	23.3	Very low	24.7	Very low	127 Å²	127	158.7 Å²	158.7	67%	0.665	77%	0.772	S	S	*	*			trans	117	138	155	-61.7	172.7	0	0	0	112.5
24	F	23.5	Very low	24.7	Very low	162 Å²	162	159 Å²	159	71%	0.711	77%	0.774	S	S	*	*			cis	-175.7	167	-16.8	-115	-168	0	0	0	107.1
25	L	22.5	Very low	24.6	Very low	146 Å²	146	160.6 Å²	160.6	76%	0.764	78%	0.776	S	S	*	*			cis	-151.1	166.8	11.6	-109.6	164.4	0	0	0	110.4
26	E	23	Very low	24.6	Very low	170 Å²	170	155.1 Å²	155.1	79%	0.794	77%	0.768	S	S	*	*			trans	-125.9	-177.6	153.1	-132.7	-163.7	-163.5	0	0	105.8
27	P	41	Very low	24.6	Very low	90 Å²	90	161.4 Å²	161.4	58%	0.584	77%	0.774	S	S	*	*			cis	-140.9	-148.9	-7.8	37.2	-13	0	0	0	113.8
28	Q	25.1	Very low	24.4	Very low	169 Å²	169	163.8 Å²	163.8	79%	0.79	78%	0.778	S	S	*	*			trans	95.5	140.2	164.7	-53.7	-69.2	-31.1	0	0	116.6
29	S	24.3	Very low	24.2	Very low	90 Å²	90	169.4 Å²	169.4	63%	0.629	79%	0.787	S	S	*	*			cis	-166.7	158.6	-17.1	66.7	0	0	0	0	113.4
30	R	24.8	Very low	23.9	Very low	225 Å²	225	162.8 Å²	162.8	85%	0.849	78%	0.777	S	S	*	*			trans	32.9	130.8	145.6	-63.7	176.5	177.1	-170.8	0.3	120.9
31	F	23.3	Very low	23.8	Very low	212 Å²	212	163.8 Å²	163.8	93%	0.93	78%	0.784	S	S	*	*				-159.8	166.4	106.9	-124.8	-94.3	0	0	0	112.3
32	R	25.4	Very low	23.8	Very low	213 Å²	213	159.5 Å²	159.5	80%	0.804	79%	0.785	S	S	*	*			trans	-147	147.7	-168.1	-156.1	-171.7	-155.2	-145.2	11.1	111.6
33	R	26.2	Very low	23.7	Very low	211 Å²	211	159.6 Å²	159.6	80%	0.796	79%	0.787	S	S	*	*			trans	111.9	118.8	152.2	-61.2	-179	-174.5	-165	0.4	119.7
34	H	22.6	Very low	23.8	Very low	177 Å²	177	161.4 Å²	161.4	82%	0.819	80%	0.795	S	S	*	*			trans	53.4	133.1	130.5	-70.1	8	0	0	0	122.5
35	I	22.4	Very low	23.7	Very low	167 Å²	167	164 Å²	164	86%	0.856	80%	0.8	S	S	*	*				-168.8	155.4	101.1	-100.7	170.8	0	0	0	112
36	V	22.7	Very low	23.8	Very low	123 Å²	123	166.8 Å²	166.8	75%	0.745	81%	0.806	S	S	*	*			trans	-97.1	145.5	178.2	169.9	0	0	0	0	111.2
37	R	21.6	Very low	23.9	Very low	247 Å²	247	163.9 Å²	163.9	93%	0.932	80%	0.802	S	S	*	*			trans	-160.5	146.1	148.3	-115.5	168.8	-170.3	178.7	2.5	115
38	L	20.9	Very low	23	Very low	155 Å²	155	169.7 Å²	169.7	81%	0.812	82%	0.819	S	S	*	*			trans	-96.4	165.8	175.1	-81.2	149.5	0	0	0	111.8
39	F	20.9	Very low	22.9	Very low	202 Å²	202	167.2 Å²	167.2	89%	0.886	82%	0.815	S	S	*	*			trans	138.6	106.6	154.4	-85.1	-73.3	0	0	0	108.5
40	S	19.4	Very low	22.9	Very low	98 Å²	98	170.2 Å²	170.2	69%	0.685	82%	0.819	S	S	*	*				88.5	122.9	71.5	-163.7	0	0	0	0	114.2
41	S	20.6	Very low	22.8	Very low	115 Å²	115	169.1 Å²	169.1	80%	0.804	82%	0.815	S	S	*	*			trans	57.3	110.6	150.4	-49.8	0	0	0	0	120.9
42	A	22.6	Very low	22.8	Very low	107 Å²	107	167 Å²	167	88%	0.884	81%	0.812	S	S	*	*				-160.3	144.2	128.9	0	0	0	0	0	112.1
43	N	21.9	Very low	22.7	Very low	145 Å²	145	164.3 Å²	164.3	78%	0.775	81%	0.812	S	S	*	*			trans	-107.6	119.8	-173.8	-176.3	3.2	0	0	0	109.6
44	I	24.7	Very low	22.6	Very low	165 Å²	165	162 Å²	162	85%	0.846	81%	0.81	S	S	*	*			trans	-134.2	114.8	164.9	-63.9	-173.7	0	0	0	110.5
45	R	22	Very low	22.7	Very low	218 Å²	218	159.1 Å²	159.1	82%	0.823	81%	0.807	S	S	*	*			trans	-78.7	144.7	165	-64.6	171.3	169.3	175.9	-5	110.1
46	K	24.9	Very low	22.7	Very low	204 Å²	204	161 Å²	161	89%	0.887	80%	0.803	S	S	*	*				-162.3	155	128.4	-107.2	168.1	-173.6	-177	0	110.8
47	P	23.8	Very low	22.7	Very low	108 Å²	108	159.7 Å²	159.7	70%	0.701	80%	0.8	S	S	*	*			trans	-91.7	144.2	-157.7	34.8	-34.4	0	0	0	113
48	F	22.8	Very low	23	Very low	213 Å²	213	155.1 Å²	155.1	93%	0.934	79%	0.789	S	S	*	*			trans	-106.1	110.7	157.9	-110	-90.3	0	0	0	109.8
49	T	23.7	Very low	23.3	Very low	117 Å²	117	155.8 Å²	155.8	72%	0.718	79%	0.788	S	S	*	*			trans	-79.1	113.7	169.9	46.6	0	0	0	0	109.7
50	H	23.3	Very low	23.5	Very low	152 Å²	152	149.8 Å²	149.8	70%	0.704	78%	0.784	S	S	*	*			trans	-169.6	142	136.3	-117.2	-141.4	0	0	0	116.3
51	R	23.4	Very low	23.8	Very low	203 Å²	203	152.6 Å²	152.6	77%	0.766	79%	0.791	S	S	*	*			trans	47.1	102.5	149.5	-68.9	-179.3	-177.3	178.3	0.5	119.5
52	L	22.9	Very low	23.9	Very low	166 Å²	166	155.1 Å²	155.1	87%	0.869	79%	0.794	S	S	*	*			trans	-40.2	130.6	145	-65.1	157.3	0	0	0	111.7
53	I	22.6	Very low	24	Very low	157 Å²	157	156.5 Å²	156.5	81%	0.805	79%	0.792	S	S	*	*			trans	-119.1	113.5	168.6	-63.6	177.7	0	0	0	108.6
54	H	24.7	Very low	24	Very low	163 Å²	163	158.3 Å²	158.3	76%	0.755	80%	0.798	S	S	*	*			trans	-83.2	143.9	165.2	-77.2	-89.1	0	0	0	109.9	W56	H54-W56 PolarHBondContact O-N 2.84Å
55	P	25.2	Very low	23.9	Very low	117 Å²	117	159.2 Å²	159.2	76%	0.76	80%	0.799	S	S	*	*			trans	-86.7	103.6	179.5	32.5	-32.4	0	0	0	112.1
56	W	21.9	Very low	24.1	Very low	205 Å²	205	158.1 Å²	158.1	78%	0.777	80%	0.803	S	S	*	*			trans	-142.7	120.1	158.6	-95.1	81.3	0	0	0	111.4	H54	H54-W56 PolarHBondContact O-N 2.84Å
57	S	23.5	Very low	24	Very low	96 Å²	96	157.4 Å²	157.4	67%	0.671	80%	0.803	S	S	*	*			trans	40.1	127	154	69.4	0	0	0	0	122.9
58	Q	26.8	Very low	24	Very low	151 Å²	151	160 Å²	160	71%	0.706	81%	0.811	S	S	*	*			trans	84	136.3	155.3	-48.8	-142.3	-52.2	0	0	118.1
59	Q	27.8	Very low	24	Very low	169 Å²	169	155.6 Å²	155.6	79%	0.79	80%	0.801	S	S	*	*			trans	-71.5	151.3	-179.5	-70.7	124.9	-52.5	0	0	112
60	G	24.9	Very low	24.1	Very low	77 Å²	77	156.5 Å²	156.5	79%	0.794	81%	0.807	S	S	*	*			trans	-107.8	146.1	169.8	0	0	0	0	0	111.2
61	D	25.5	Very low	24.2	Very low	157 Å²	157	155.1 Å²	155.1	84%	0.84	81%	0.811	S	S	*	*			trans	-72.2	167	-176.6	-101.6	-52.3	0	0	0	114.9
62	L	22.8	Very low	24.3	Very low	168 Å²	168	154.9 Å²	154.9	88%	0.88	82%	0.819	S	S	*	*			trans	-63.9	132.1	166.3	-70	149.6	0	0	0	110.7
63	T	24.6	Very low	24.4	Very low	136 Å²	136	151.6 Å²	151.6	83%	0.834	82%	0.816	S	S	*	*			trans	-105.4	117.6	165.7	51.3	0	0	0	0	109.5
64	M	22.9	Very low	24.7	Very low	182 Å²	182	150 Å²	150	90%	0.897	82%	0.816	S	S	*	*			trans	-74.2	150.8	165.8	-76.1	-177.6	61.9	0	0	110.6
65	E	22.9	Very low	24.7	Very low	185 Å²	185	148 Å²	148	86%	0.864	82%	0.82	S	S	*	*			trans	-76	132.4	175.1	-60	170.8	132.6	0	0	110.1
66	E	25.2	Very low	24.7	Very low	195 Å²	195	146.2 Å²	146.2	91%	0.911	82%	0.822	S	S	*	*			trans	-116	137.3	154.6	-79.9	-169.6	142	0	0	108.9
67	Q	22.7	Very low	24.8	Very low	188 Å²	188	139.8 Å²	139.8	88%	0.879	82%	0.82	S	S	*	*			trans	-86.7	135	-174.2	-63	166.9	-5.9	0	0	109.1
68	D	24.4	Very low	24.8	Very low	163 Å²	163	142.2 Å²	142.2	87%	0.872	83%	0.826	S	S	*	*			trans	-121.4	119.6	170.4	-153.6	-2.1	0	0	0	110.4
69	T	23.3	Very low	24.8	Very low	120 Å²	120	141 Å²	141	74%	0.736	83%	0.829	S	S	*	*			trans	-96.3	115.8	-172.4	47.3	0	0	0	0	111.1	P71	T69-P71 WeakPolarHBondContact O-CD 3.14Å
70	T	24.2	Very low	24.7	Very low	137 Å²	137	139.3 Å²	139.3	84%	0.84	83%	0.825	S	S	*	*			trans	-70	141.3	170.1	50	0	0	0	0	112.2
71	P	27.1	Very low	24.7	Very low	122 Å²	122	141.6 Å²	141.6	79%	0.792	82%	0.824	S	S	*	*			trans	-117	148.5	143.4	34.6	-26.9	0	0	0	112.1	T69	T69-P71 WeakPolarHBondContact O-CD 3.14Å
72	E	23.9	Very low	24.8	Very low	198 Å²	198	138 Å²	138	93%	0.925	82%	0.824	S	S	*	*			trans	-75	155.8	-179.8	-58.2	171.7	118.9	0	0	112.8
73	A	24.9	Very low	25	Very low	97 Å²	97	139.7 Å²	139.7	80%	0.802	82%	0.824	S	S	*	*			trans	-147.8	150.1	158.4	0	0	0	0	0	110.8
74	P	28.9	Very low	25.1	Very low	124 Å²	124	145.4 Å²	145.4	81%	0.805	83%	0.83	S	S	*	*			trans	-106.4	178.8	-150.9	40.5	-36.6	0	0	0	116.3
75	S	25.8	Very low	25.3	Very low	122 Å²	122	144.6 Å²	144.6	85%	0.853	82%	0.822	S	S	*	*			trans	-51.3	145.3	175.3	54.7	0	0	0	0	116.7
76	G	25.1	Very low	25.5	Very low	78 Å²	78	142.9 Å²	142.9	80%	0.804	81%	0.814	S	S	*	*			trans	176.1	121.4	157.4	0	0	0	0	0	116.4
77	G	22.8	Very low	25.6	Very low	71 Å²	71	138.5 Å²	138.5	73%	0.732	80%	0.796	S	S	*	*			trans	82.3	104.9	130.9	0	0	0	0	0	121.5
78	D	24.7	Very low	25.8	Very low	147 Å²	147	136.1 Å²	136.1	79%	0.786	79%	0.79	S	S	*	*				67.3	118	126.1	-68.4	-21.8	0	0	0	124.7
79	T	25.6	Very low	25.9	Very low	125 Å²	125	136.6 Å²	136.6	77%	0.767	79%	0.787	S	S	*	*			trans	63.6	147.3	136.8	70.7	0	0	0	0	118.3
80	N	26.8	Very low	26.6	Very low	133 Å²	133	136 Å²	136	71%	0.711	79%	0.785	S	S	*	*			cis	-160.9	157.4	35.5	-155	4.9	0	0	0	113.2
81	T	25.2	Very low	26.6	Very low	126 Å²	126	133 Å²	133	77%	0.773	78%	0.781	S	S	*	*			trans	9.2	131.9	157.8	52.2	0	0	0	0	122.1
82	G	27.3	Very low	26.7	Very low	82 Å²	82	133.5 Å²	133.5	85%	0.845	78%	0.784	S	S	*	*			trans	-172.2	28.5	166.1	0	0	0	0	0	118.6
83	K	26.7	Very low	26.9	Very low	203 Å²	203	133.1 Å²	133.1	88%	0.883	78%	0.783	S	S	*	*			trans	-69	135.7	175.8	-82.8	-179.5	176.1	174.7	0	111.9
84	R	26.8	Very low	27.1	Very low	255 Å²	255	137.5 Å²	137.5	96%	0.962	79%	0.787	S	S	*	*				-162.7	156.9	120.9	-104.8	163.6	-168.1	-161	2.2	112.3
85	K	26.7	Very low	27.3	Very low	165 Å²	165	138.7 Å²	138.7	72%	0.717	79%	0.792	S	S	*	*			trans	-134	177.8	-158.3	-148.9	-164.2	174.4	-100	0	109.8	D87	K85-D87 IonicContact NZ-OD2 2.66Å; K85-D87 PolarHBondContact NZ-OD2 3.45Å
86	H	28	Very low	27.3	Very low	149 Å²	149	136.3 Å²	136.3	69%	0.69	79%	0.786	S	S	*	*			trans	94.4	114.5	176.2	-81.9	-94.6	0	0	0	115
87	D	26.5	Very low	27.5	Very low	103 Å²	103	136.5 Å²	136.5	55%	0.551	79%	0.788	S	S	*	*			cis	99.5	141.2	33.6	-63.6	-36.4	0	0	0	112	K85	K85-D87 IonicContact NZ-OD2 2.66Å; K85-D87 PolarHBondContact NZ-OD2 3.45Å
88	D	27.4	Very low	27.8	Very low	138 Å²	138	144.8 Å²	144.8	74%	0.738	80%	0.797	S	S	*	*			trans	89.4	101.6	159.6	-55.9	-39.8	0	0	0	123.9
89	E	25.3	Very low	27.9	Very low	173 Å²	173	140.9 Å²	140.9	81%	0.808	79%	0.792	S	S	*	*				76.4	160.3	120.2	-81.9	-76.9	102.8	0	0	121.6
90	P	38.9	Very low	28.2	Very low	109 Å²	109	144.7 Å²	144.7	71%	0.708	80%	0.798	S	S	*	*				-134.8	175.3	-114.4	45.3	-29.3	0	0	0	118.7
91	G	23.1	Very low	28.3	Very low	72 Å²	72	147.8 Å²	147.8	74%	0.742	81%	0.805	S	S	*	*			trans	117.9	164.8	160.4	0	0	0	0	0	115.6
92	P	29.8	Very low	28.9	Very low	134 Å²	134	153.5 Å²	153.5	87%	0.87	81%	0.812	S	S	*	*			cis	-116.5	-174	-4.4	41.4	-28.7	0	0	0	113.8
93	Q	29.1	Very low	29.4	Very low	190 Å²	190	161.3 Å²	161.3	89%	0.888	82%	0.816	S	S	*	*			trans	-74.5	136.7	177.9	-63.9	166.7	-37.9	0	0	112.9
94	E	27.9	Very low	29.7	Very low	189 Å²	189	154.7 Å²	154.7	88%	0.883	81%	0.806	S	S	*	*			trans	-127.3	133.8	155.8	-81.9	-158	155	0	0	112.2	G96	E94-G96 PolarHBondContact O-N 2.71Å
95	T	33	Very low	30.4	Very low	149 Å²	149	148.3 Å²	148.3	91%	0.914	81%	0.808	S	S	*	*			trans	-80.4	74.3	-175.4	49.6	0	0	0	0	112.2	G97	T95-G97 PolarHBondContact O-N 2.86Å; T95-G97 VanDerWaalsContact O-N 3.16Å
96	G	27.4	Very low	30.9	Very low	71 Å²	71	143.7 Å²	143.7	73%	0.732	81%	0.807	S	S	*	*			trans	-83.1	77.1	178.7	0	0	0	0	0	114.3	E94 R98	E94-G96 PolarHBondContact O-N 2.71Å; G96-R98 VanDerWaalsContact C-N 3.32Å; G96-R98 PolarHBondContact O-N 2.7Å
97	G	28.3	Very low	32	Very low	82 Å²	82	140.1 Å²	140.1	85%	0.845	81%	0.81	S	S	*	*			trans	-64	77.8	178	0	0	0	0	0	114.7	T95 G99	T95-G97 PolarHBondContact O-N 2.86Å; T95-G97 VanDerWaalsContact O-N 3.16Å; G97-G99 PolarHBondContact O-N 2.76Å
98	R	29.5	Very low	33.4	Very low	245 Å²	245	144.8 Å²	144.8	93%	0.925	83%	0.826	S	S	*	*			trans	-75.9	72.4	176.9	-115.9	-178.6	-177.6	177.3	2.7	111.7	G96 K100	G96-R98 VanDerWaalsContact C-N 3.32Å; G96-R98 PolarHBondContact O-N 2.7Å; R98-K100 PolarHBondContact O-N 2.71Å
99	G	27.4	Very low	34.9	Very low	66 Å²	66	148 Å²	148	68%	0.68	83%	0.833	S	S	*	*			trans	-54.3	112.9	167.4	0	0	0	0	0	110.3	G97 K101	G97-G99 PolarHBondContact O-N 2.76Å; G99-K101 VanDerWaalsContact C-N 3.3Å; G99-K101 PolarHBondContact O-N 2.82Å
100	K	30.9	Very low	36.9	Very low	204 Å²	204	143.8 Å²	143.8	89%	0.887	82%	0.816	S	S	*	*			trans	-64.1	92.1	171.2	-79.6	177.4	176.2	170.7	0	108.4	R98 R102	R98-K100 PolarHBondContact O-N 2.71Å; K100-R102 PolarHBondContact O-N 3.18Å
101	K	29.7	Very low	38.5	Very low	199 Å²	199	147.7 Å²	147.7	87%	0.865	82%	0.816	S	S	*	*			trans	-49.2	112.5	167.4	-86.2	-174.1	174.1	179.7	0	107.7	G99 R103	G99-K101 VanDerWaalsContact C-N 3.3Å; G99-K101 PolarHBondContact O-N 2.82Å; K101-R103 PolarHBondContact O-N 2.89Å
102	R	37.7	Very low	40.1	Very low	245 Å²	245	150.9 Å²	150.9	93%	0.925	82%	0.824	S	S	*	*			trans	-58.2	109.8	170.7	-66.6	170.9	85.6	172.2	4.2	105.7	K100 G104	K100-R102 PolarHBondContact O-N 3.18Å; R102-G104 PolarHBondContact O-N 2.75Å; R102-G104 VanDerWaalsContact O-N 3.14Å
103	R	37.7	Very low	41.9	Very low	246 Å²	246	147.5 Å²	147.5	93%	0.928	81%	0.813	S	S	*	*			trans	-60.2	118.5	171.5	-85.2	179.8	153	175	-7.7	106.8	K101	K101-R103 PolarHBondContact O-N 2.89Å
104	G	32.8	Very low	44	Very low	65 Å²	65	143.2 Å²	143.2	67%	0.67	79%	0.793	S	S	*	*			trans	-62.8	174.2	174.7	0	0	0	0	0	111.8	R102 G106	R102-G104 PolarHBondContact O-N 2.75Å; R102-G104 VanDerWaalsContact O-N 3.14Å; G104-G106 PolarHBondContact O-N 2.81Å
105	A	40.8	Very low	46.4	Very low	120 Å²	120	138.1 Å²	138.1	99%	0.992	77%	0.766	S	S	*	*	S	Bend	trans	-68.5	66.6	-173.2	0	0	0	0	0	113.9
106	G	38.1	Very low	48.7	Very low	68 Å²	68	136.2 Å²	136.2	70%	0.701	74%	0.743	S	S	*	*			trans	-100.5	99.7	163.3	0	0	0	0	0	109.2	G104 K108	G104-G106 PolarHBondContact O-N 2.81Å; G106-K108 PolarHBondContact O-N 2.83Å
107	G	50.8	Low	51.1	Low	74 Å²	74	135.2 Å²	135.2	76%	0.763	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-55.5	137.1	171.9	0	0	0	0	0	110.4	K109	G107-K109 PolarHBondContact O-N 3.26Å
108	K	55.3	Low	53.3	Low	202 Å²	202	131.8 Å²	131.8	88%	0.878	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-58.8	125.3	170.3	-74.4	179.5	177.1	177	0	107.6	G106 L110	G106-K108 PolarHBondContact O-N 2.83Å; K108-L110 PolarHBondContact O-N 2.81Å; K108-L110 VanDerWaalsContact O-N 3.1Å
109	K	59.4	Low	55.5	Low	204 Å²	204	124.6 Å²	124.6	89%	0.887	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-58	117.9	164.9	-73	-171.2	175.4	-173.5	0	107.4	G107	G107-K109 PolarHBondContact O-N 3.26Å
110	L	68.1	Low	57.6	Low	85 Å²	85	126.6 Å²	126.6	45%	0.445	67%	0.671	S	S	.	*	P	Polyproline II helix	trans	-60	144.5	177.2	-64.9	164.3	0	0	0	109.3	K108 E114	K108-L110 PolarHBondContact O-N 2.81Å; K108-L110 VanDerWaalsContact O-N 3.1Å; L110-E114 HydrophobicContact CB-CB 4.35Å; L110-E114 HydrophobicContact CD2-CG 4.05Å
111	R	70.8	Confident	59.4	Low	191 Å²	191	125.4 Å²	125.4	72%	0.721	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-69	152.6	171.7	-63.8	172.6	175.9	-172.4	-2	109.6	G113 E114	R111-G113 PolarHBondContact O-N 2.86Å; R111-G113 VanDerWaalsContact O-N 3.13Å; R111-E114 HydrophobicContact CB-CB 4.09Å; R111-E114 WeakPolarHBondContact CB-OE2 3.33Å; R111-E114 WeakPolarHBondContact CG-OE2 3.44Å; R111-E114 PolarHBondContact N-OE2 2.98Å; R111-E114 VanDerWaalsContact O-CB 3.26Å; R111-E114 WeakPolarHBondContact O-CB 3.27Å; R111-E114 PolarHBondContact O-N 2.88Å
112	P	56.8	Low	60.8	Low	139 Å²	139	125.6 Å²	125.6	90%	0.903	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	122.1	170.8	-26.8	35.5	0	0	0	111.1
113	G	69.1	Low	61.8	Low	63 Å²	63	123.7 Å²	123.7	65%	0.649	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.7	-8.6	-177.2	0	0	0	0	0	116.6	R111 R208	R111-G113 PolarHBondContact O-N 2.86Å; R111-G113 VanDerWaalsContact O-N 3.13Å; G113-R208 PolarHBondContact O-NH1 3.37Å
114	E	71.9	Confident	62.7	Low	100 Å²	100	117.6 Å²	117.6	47%	0.467	65%	0.648	S	S	.	*	P	Polyproline II helix	trans	-79.8	123	174.8	-169.1	176.1	-159.1	0	0	110.1	L110 R111	L110-E114 HydrophobicContact CB-CB 4.35Å; L110-E114 HydrophobicContact CD2-CG 4.05Å; R111-E114 HydrophobicContact CB-CB 4.09Å; R111-E114 WeakPolarHBondContact CB-OE2 3.33Å; R111-E114 WeakPolarHBondContact CG-OE2 3.44Å; R111-E114 PolarHBondContact N-OE2 2.98Å; R111-E114 VanDerWaalsContact O-CB 3.26Å; R111-E114 WeakPolarHBondContact O-CB 3.27Å; R111-E114 PolarHBondContact O-N 2.88Å
115	R	79.1	Confident	63.5	Low	83 Å²	83	119.5 Å²	119.5	31%	0.313	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-80	141.8	171.4	-71	-177.9	177	158.2	-1.6	108.9	V206 D211	R115-V206 PolarHBondContact NH1-O 3.34Å; R115-D211 IonicContact NH1-OD2 2.94Å; R115-D211 PolarHBondContact NH1-OD2 3.22Å
116	Y	81.1	Confident	64.2	Low	109 Å²	109	115.2 Å²	115.2	43%	0.427	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-57.3	149.1	162.4	178.1	-117.2	0	0	0	109.3	P118 N196 E197	Y116-P118 HydrophobicContact CE1-CB 4.3Å; Y116-N196 WeakPolarHBondContact O-CB 3.47Å; Y116-N196 PolarHBondContact O-ND2 2.99Å; Y116-N196 VanDerWaalsContact O-ND2 3.15Å; Y116-N196 PolarHBondContact O-OD1 3.36Å; Y116-E197 HydrophobicContact CE1-CG 4.44Å; Y116-E197 WeakPolarHBondContact CE1-OE2 3.15Å
117	V	76.9	Confident	65.4	Low	50 Å²	50	114.3 Å²	114.3	30%	0.303	60%	0.597	S	S	.	*			trans	-140	125.4	169.2	173.8	0	0	0	0	107	Y158 N210	V117-Y158 HydrophobicContact CG1-CE1 4.31Å; V117-N210 HydrophobicContact CG1-CB 4.17Å; V117-N210 WeakPolarHBondContact CG1-O 3.42Å
118	P	76.2	Confident	66.3	Low	10 Å²	10	113 Å²	113	7%	0.065	58%	0.577	C	S	.	*	P	Polyproline II helix	trans	-64.5	143.4	177.1	27.2	-34.5	0	0	0	110.9	Y116 Y158 E197 H212	Y116-P118 HydrophobicContact CE1-CB 4.3Å; P118-Y158 PolarHBondContact O-OH 3.24Å; P118-E197 HydrophobicContact CB-CG 4.46Å; P118-E197 HydrophobicContact CG-CG 4.29Å; P118-H212 HydrophobicContact CG-CB 3.53Å
119	P	73.9	Confident	67.6	Low	94 Å²	94	105.2 Å²	105.2	61%	0.61	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-70	144.3	-176.2	27.8	-34.5	0	0	0	112.3	Q121 Y158	P119-Q121 PolarHBondContact O-N 2.89Å; P119-Y158 PolarHBondContact O-OH 3.39Å
120	P	72.8	Confident	68.9	Low	107 Å²	107	97.7 Å²	97.7	70%	0.695	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-63.4	122.9	178.8	25.1	-33.7	0	0	0	111.7	Y158	P120-Y158 WeakPolarHBondContact CA-OH 3.4Å
121	Q	68.8	Low	69.8	Low	180 Å²	180	99.3 Å²	99.3	84%	0.841	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-71.6	137.9	174.3	-66.3	-179.7	-16.2	0	0	110.4	P119 R123	P119-Q121 PolarHBondContact O-N 2.89Å; Q121-R123 PolarHBondContact O-N 3.03Å
122	K	59.8	Low	70.7	Confident	203 Å²	203	97.6 Å²	97.6	88%	0.883	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-66.2	129.6	173.7	-72	-174.5	176.1	-176.4	0	109.6
123	R	57.6	Low	72.3	Confident	205 Å²	205	94.2 Å²	94.2	77%	0.774	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-80.1	131.3	170.7	-63.7	-177.1	-179.7	-177.5	0.5	109.5	Q121	Q121-R123 PolarHBondContact O-N 3.03Å
124	N	56.9	Low	73.3	Confident	118 Å²	118	92.4 Å²	92.4	63%	0.631	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-78.7	143.7	170.5	-69	-19.1	0	0	0	110
125	P	49.6	Very low	74.3	Confident	105 Å²	105	92.9 Å²	92.9	68%	0.682	47%	0.473	S	S	*	.	S	Bend	trans	-73.1	125	168.6	29.3	-31.7	0	0	0	110.1
126	G	55.7	Low	74.8	Confident	30 Å²	30	91 Å²	91	31%	0.309	47%	0.468	S	S	.	.	S	Bend	trans	105.6	155.1	-177.3	0	0	0	0	0	113.1	S128	G126-S128 PolarHBondContact O-N 3.46Å
127	V	62.8	Low	75.5	Confident	48 Å²	48	86.1 Å²	86.1	29%	0.291	45%	0.45	S	S	.	.	B	Isolated β-bridge	trans	-83.1	105.6	173.4	-176.1	0	0	0	0	107.6	F129 I261 L273	V127-F129 HydrophobicContact CG1-CE2 4.05Å; V127-F129 HydrophobicContact CG1-CZ 3.92Å; V127-I261 HydrophobicContact CB-CD1 4.16Å; V127-I261 HydrophobicContact CB-CG2 4.13Å; V127-I261 HydrophobicContact CG1-CD1 4.27Å; V127-I261 HydrophobicContact CG1-CG2 3.79Å; V127-I261 HydrophobicContact CG2-CD1 4.24Å; V127-L273 PolarHBondContact N-O 3.37Å
128	S	69.2	Low	76.3	Confident	48 Å²	48	86.5 Å²	86.5	34%	0.336	46%	0.455	S	S	.	.			trans	-129	124.9	176.3	60.8	0	0	0	0	109.9	G126	G126-S128 PolarHBondContact O-N 3.46Å
129	F	83.9	Confident	77.2	Confident	37 Å²	37	89.5 Å²	89.5	16%	0.162	47%	0.465	C	S	.	.			trans	-90.2	144.6	171.8	-59	-70.1	0	0	0	109.8	V127 H133 F134 P251 I261 F262	V127-F129 HydrophobicContact CG1-CE2 4.05Å; V127-F129 HydrophobicContact CG1-CZ 3.92Å; F129-H133 HydrophobicContact CB-CB 4.01Å; F129-H133 HydrophobicContact CD1-CB 4.24Å; F129-H133 AromaticContact CD1-ND1 3.82Å; F129-F134 HydrophobicContact CB-CD1 4.27Å; F129-F134 HydrophobicContact CB-CE1 3.63Å; F129-F134 HydrophobicContact CB-CE2 4.23Å; F129-F134 HydrophobicContact CB-CZ 3.61Å; F129-F134 HydrophobicContact CD2-CE1 4.07Å; F129-F134 HydrophobicContact CD2-CZ 4.4Å; F129-F134 HydrophobicContact CG-CE1 4.16Å; F129-F134 HydrophobicContact CG-CZ 4.46Å; F129-P251 HydrophobicContact CE1-CG 4.1Å; F129-P251 HydrophobicContact CZ-CG 3.69Å; F129-I261 HydrophobicContact CE2-CB 4.4Å; F129-I261 HydrophobicContact CE2-CG2 3.91Å; F129-F262 AromaticContact CD1-CD2 3.93Å; F129-F262 HydrophobicContact CD1-CD2 3.93Å; F129-F262 HydrophobicContact CD1-CE2 4.23Å; F129-F262 HydrophobicContact CD2-CB 4.41Å; F129-F262 AromaticContact CD2-CD2 3.77Å; F129-F262 HydrophobicContact CD2-CD2 3.77Å; F129-F262 HydrophobicContact CD2-CG 4.43Å; F129-F262 AromaticContact CE1-CD2 3.89Å; F129-F262 HydrophobicContact CE1-CD2 3.89Å; F129-F262 HydrophobicContact CE2-CB 3.81Å; F129-F262 AromaticContact CE2-CD2 3.72Å; F129-F262 HydrophobicContact CE2-CD2 3.72Å; F129-F262 HydrophobicContact CE2-CG 4.2Å; F129-F262 AromaticContact CG-CD2 3.89Å; F129-F262 HydrophobicContact CG-CD2 3.89Å; F129-F262 HydrophobicContact CG-CE2 4.24Å; F129-F262 HydrophobicContact CZ-CB 4.18Å; F129-F262 AromaticContact CZ-CD2 3.79Å; F129-F262 HydrophobicContact CZ-CD2 3.79Å; F129-F262 HydrophobicContact CZ-CG 4.49Å
130	S	86.6	Confident	78.3	Confident	47 Å²	47	88.8 Å²	88.8	33%	0.329	45%	0.453	S	S	.	.			trans	-83.7	165.9	169.3	53.8	0	0	0	0	109.9	E132 H133 F134	S130-E132 PolarHBondContact O-N 3.38Å; S130-H133 PolarHBondContact N-ND1 2.99Å; S130-H133 WeakPolarHBondContact O-CB 3.5Å; S130-H133 PolarHBondContact O-N 2.91Å; S130-H133 PolarHBondContact OG-N 3.42Å; S130-H133 PolarHBondContact OG-ND1 2.79Å; S130-F134 PolarHBondContact O-N 3.19Å
131	Q	87.1	Confident	79.4	Confident	118 Å²	118	89.3 Å²	89.3	55%	0.551	44%	0.444	S	S	*	.	H	α-helix	trans	-55.1	-41	172.3	-167.7	57.4	44.4	0	0	111.6	H133 F134 D135	Q131-H133 PolarHBondContact O-N 2.8Å; Q131-H133 VanDerWaalsContact O-N 3.16Å; Q131-F134 PolarHBondContact O-N 2.97Å; Q131-D135 WeakPolarHBondContact CG-OD2 3.46Å; Q131-D135 PolarHBondContact NE2-OD1 3.24Å; Q131-D135 PolarHBondContact NE2-OD2 3.27Å; Q131-D135 VanDerWaalsContact O-CG 3.32Å; Q131-D135 PolarHBondContact O-N 3.04Å
132	E	88.8	Confident	80.6	Confident	155 Å²	155	85.7 Å²	85.7	72%	0.724	43%	0.427	S	S	*	.	H	α-helix	trans	-55.4	-31.9	173.7	-60.6	177.5	174.9	0	0	114.2	S130 E136	S130-E132 PolarHBondContact O-N 3.38Å; E132-E136 PolarHBondContact O-N 3.04Å
133	H	90.4	Very high	82.1	Confident	68 Å²	68	79.7 Å²	79.7	32%	0.315	42%	0.423	S	S	.	.	H	α-helix	trans	-76.6	-33.5	175.5	-64.5	156.8	0	0	0	112	F129 S130 Q131 H257 F262	F129-H133 HydrophobicContact CB-CB 4.01Å; F129-H133 HydrophobicContact CD1-CB 4.24Å; F129-H133 AromaticContact CD1-ND1 3.82Å; S130-H133 PolarHBondContact N-ND1 2.99Å; S130-H133 WeakPolarHBondContact O-CB 3.5Å; S130-H133 PolarHBondContact O-N 2.91Å; S130-H133 PolarHBondContact OG-N 3.42Å; S130-H133 PolarHBondContact OG-ND1 2.79Å; Q131-H133 PolarHBondContact O-N 2.8Å; Q131-H133 VanDerWaalsContact O-N 3.16Å; H133-H257 PolarHBondContact O-CE1 2.73Å; H133-F262 HydrophobicContact CB-CE2 4.49Å; H133-F262 WeakPolarHBondContact O-CZ 3.33Å
134	F	91.4	Very high	83.8	Confident	26 Å²	26	72.9 Å²	72.9	11%	0.114	42%	0.417	C	S	.	.	H	α-helix	trans	-72.2	-35.9	175.7	-61.9	-47.1	0	0	0	111.7	F129 S130 Q131 E136 F262 K266	F129-F134 HydrophobicContact CB-CD1 4.27Å; F129-F134 HydrophobicContact CB-CE1 3.63Å; F129-F134 HydrophobicContact CB-CE2 4.23Å; F129-F134 HydrophobicContact CB-CZ 3.61Å; F129-F134 HydrophobicContact CD2-CE1 4.07Å; F129-F134 HydrophobicContact CD2-CZ 4.4Å; F129-F134 HydrophobicContact CG-CE1 4.16Å; F129-F134 HydrophobicContact CG-CZ 4.46Å; S130-F134 PolarHBondContact O-N 3.19Å; Q131-F134 PolarHBondContact O-N 2.97Å; F134-E136 VanDerWaalsContact C-N 3.31Å; F134-E136 PolarHBondContact O-N 3.07Å; F134-F262 HydrophobicContact CD1-CD2 4.46Å; F134-F262 HydrophobicContact CD1-CE1 4.12Å; F134-F262 AromaticContact CD1-CE2 3.9Å; F134-F262 HydrophobicContact CD1-CE2 3.9Å; F134-F262 AromaticContact CD1-CZ 3.71Å; F134-F262 HydrophobicContact CD1-CZ 3.71Å; F134-F262 HydrophobicContact CE1-CD2 4.4Å; F134-F262 HydrophobicContact CE1-CE2 4.25Å; F134-F262 HydrophobicContact CE1-CZ 4.4Å; F134-K266 HydrophobicContact CB-CD 4.35Å; F134-K266 HydrophobicContact CB-CG 4.38Å; F134-K266 HydrophobicContact CD1-CB 3.68Å; F134-K266 HydrophobicContact CD1-CD 4.35Å; F134-K266 HydrophobicContact CD1-CG 4.17Å; F134-K266 HydrophobicContact CE1-CB 3.97Å; F134-K266 HydrophobicContact CG-CB 4.35Å; F134-K266 HydrophobicContact CG-CG 4.47Å; F134-K266 WeakPolarHBondContact O-CE 3.28Å; F134-K266 PolarHBondContact O-NZ 2.82Å
135	D	90.9	Very high	85.6	Confident	109 Å²	109	67.7 Å²	67.7	58%	0.583	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-0.2	-178.7	-57.8	-18.3	0	0	0	113.5	Q131 T137	Q131-D135 WeakPolarHBondContact CG-OD2 3.46Å; Q131-D135 PolarHBondContact NE2-OD1 3.24Å; Q131-D135 PolarHBondContact NE2-OD2 3.27Å; Q131-D135 VanDerWaalsContact O-CG 3.32Å; Q131-D135 PolarHBondContact O-N 3.04Å; D135-T137 VanDerWaalsContact C-N 3.3Å; D135-T137 PolarHBondContact O-N 2.94Å
136	E	91.3	Very high	87.9	Confident	44 Å²	44	63.3 Å²	63.3	21%	0.206	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-33	-177.3	-169.7	-171.6	-106.3	0	0	113.1	E132 F134 Y151 R256 H257	E132-E136 PolarHBondContact O-N 3.04Å; F134-E136 VanDerWaalsContact C-N 3.31Å; F134-E136 PolarHBondContact O-N 3.07Å; E136-Y151 HydrophobicContact CG-CD2 4.24Å; E136-Y151 WeakPolarHBondContact OE2-CD2 3.19Å; E136-Y151 WeakPolarHBondContact OE2-CE2 3.43Å; E136-R256 VanDerWaalsContact CD-NH2 3.29Å; E136-R256 IonicContact OE1-CZ 3.36Å; E136-R256 VanDerWaalsContact OE1-CZ 3.24Å; E136-R256 IonicContact OE1-NH1 2.68Å; E136-R256 PolarHBondContact OE1-NH1 3.07Å; E136-R256 IonicContact OE1-NH2 3.61Å; E136-R256 PolarHBondContact OE1-NH2 2.96Å; E136-R256 IonicContact OE2-CZ 3.72Å; E136-R256 IonicContact OE2-NH1 2.75Å; E136-R256 PolarHBondContact OE2-NH1 3.02Å; E136-R256 IonicContact OE2-NH2 3.83Å; E136-R256 PolarHBondContact OE2-NH2 3.48Å; E136-H257 IonicContact OE2-CD2 2.74Å; E136-H257 IonicContact OE2-CE1 2.92Å; E136-H257 IonicContact OE2-NE2 3.64Å; E136-H257 PolarHBondContact OE2-NE2 3.32Å
137	T	94.7	Very high	89.7	Confident	7 Å²	7	63.1 Å²	63.1	4%	0.043	35%	0.349	C	S	.	.			trans	-159.6	166.2	173.9	-171.8	0	0	0	0	112.1	D135 V148 C149 Y151 H257 K266	D135-T137 VanDerWaalsContact C-N 3.3Å; D135-T137 PolarHBondContact O-N 2.94Å; T137-V148 HydrophobicContact CG2-CG1 3.58Å; T137-C149 WeakPolarHBondContact OG1-CB 3.5Å; T137-C149 PolarHBondContact OG1-O 3.11Å; T137-Y151 HydrophobicContact CG2-CD1 3.58Å; T137-Y151 HydrophobicContact CG2-CE1 4.1Å; T137-Y151 HydrophobicContact CG2-CG 3.91Å; T137-H257 VanDerWaalsContact CG2-CE1 3.4Å; T137-H257 WeakPolarHBondContact CG2-CE1 3.41Å; T137-K266 PolarHBondContact O-NZ 3.41Å
138	S	94.1	Very high	91.3	Very high	58 Å²	58	61.3 Å²	61.3	41%	0.406	34%	0.338	S	S	.	.			trans	-93.5	157.8	173.1	45	0	0	0	0	112.3	C149	S138-C149 PolarHBondContact O-N 2.82Å; S138-C149 PolarHBondContact OG-SG 3.34Å
139	Y	95.3	Very high	92.6	Very high	72 Å²	72	60 Å²	60	28%	0.282	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	157.9	165.5	67.9	-92.1	0	0	0	109.1	F141 R146 K147 K266 E267	Y139-F141 HydrophobicContact CD2-CE2 4.19Å; Y139-F141 HydrophobicContact CD2-CZ 4.45Å; Y139-F141 AromaticContact CE2-CE2 3.78Å; Y139-F141 HydrophobicContact CE2-CE2 3.78Å; Y139-F141 HydrophobicContact CE2-CZ 4.11Å; Y139-R146 HydrophobicContact CD2-CG 4.46Å; Y139-K147 CarbonylContact C-O 3.57Å; Y139-K147 WeakPolarHBondContact CA-O 3.3Å; Y139-K147 VanDerWaalsContact CB-O 3.27Å; Y139-K147 WeakPolarHBondContact CB-O 3.44Å; Y139-K266 HydrophobicContact CD1-CD 4.34Å; Y139-K266 HydrophobicContact CE1-CD 4.09Å; Y139-E267 VanDerWaalsContact OH-CD 3.3Å; Y139-E267 VanDerWaalsContact OH-CG 3.25Å; Y139-E267 WeakPolarHBondContact OH-CG 3.39Å; Y139-E267 PolarHBondContact OH-OE1 2.88Å
140	F	95.8	Very high	93.1	Very high	80 Å²	80	59.2 Å²	59.2	35%	0.351	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	166.5	179	62.5	-80.9	0	0	0	110.3	E142 K147	F140-E142 HydrophobicContact CD2-CB 4.26Å; F140-E142 HydrophobicContact CE2-CB 4.19Å; F140-K147 HydrophobicContact CD1-CB 4.12Å; F140-K147 HydrophobicContact CD2-CB 4.2Å; F140-K147 HydrophobicContact CE1-CB 3.68Å; F140-K147 HydrophobicContact CE2-CB 3.78Å; F140-K147 HydrophobicContact CE2-CD 3.76Å; F140-K147 HydrophobicContact CE2-CG 4.22Å; F140-K147 HydrophobicContact CG-CB 4.36Å; F140-K147 HydrophobicContact CZ-CB 3.51Å; F140-K147 HydrophobicContact CZ-CD 3.87Å; F140-K147 HydrophobicContact CZ-CG 4.27Å; F140-K147 PolarHBondContact N-O 3.09Å; F140-K147 PolarHBondContact O-N 3.29Å
141	F	95.9	Very high	93.5	Very high	117 Å²	117	57.3 Å²	57.3	51%	0.513	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.5	176.8	-62.6	-86.7	0	0	0	110.3	Y139 L145 R146 G226	Y139-F141 HydrophobicContact CD2-CE2 4.19Å; Y139-F141 HydrophobicContact CD2-CZ 4.45Å; Y139-F141 AromaticContact CE2-CE2 3.78Å; Y139-F141 HydrophobicContact CE2-CE2 3.78Å; Y139-F141 HydrophobicContact CE2-CZ 4.11Å; F141-L145 CarbonylContact C-O 3.59Å; F141-L145 VanDerWaalsContact CA-O 3.24Å; F141-L145 WeakPolarHBondContact CA-O 3.23Å; F141-R146 HydrophobicContact CD1-CB 3.95Å; F141-R146 HydrophobicContact CD1-CG 4.49Å; F141-R146 HydrophobicContact CE1-CB 3.75Å; F141-R146 HydrophobicContact CE1-CG 4.04Å; F141-R146 HydrophobicContact CZ-CG 4.5Å; F141-G226 WeakPolarHBondContact CE1-O 3.39Å
142	E	94.6	Very high	93.8	Very high	104 Å²	104	55 Å²	55	49%	0.486	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	132.8	-178.3	-177.9	174.5	-122.7	0	0	108.6	F140 G144 L145 K147	F140-E142 HydrophobicContact CD2-CB 4.26Å; F140-E142 HydrophobicContact CE2-CB 4.19Å; E142-G144 PolarHBondContact O-N 3.24Å; E142-L145 PolarHBondContact N-O 3.07Å; E142-L145 WeakPolarHBondContact O-CA 3.48Å; E142-L145 WeakPolarHBondContact O-CB 3.39Å; E142-L145 PolarHBondContact O-N 3.29Å; E142-K147 HydrophobicContact CB-CD 4.33Å; E142-K147 WeakPolarHBondContact OE2-CE 3.42Å; E142-K147 IonicContact OE2-NZ 3.86Å; E142-K147 PolarHBondContact OE2-NZ 2.92Å
143	G	91.9	Very high	94	Very high	78 Å²	78	49.7 Å²	49.7	80%	0.804	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	27.5	178.6	0	0	0	0	0	115.2	L145	G143-L145 PolarHBondContact O-N 3.28Å
144	G	92.7	Very high	94.1	Very high	61 Å²	61	48.3 Å²	48.3	63%	0.629	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	-1.7	-173	0	0	0	0	0	114.6	E142 G226	E142-G144 PolarHBondContact O-N 3.24Å; G144-G226 VanDerWaalsContact O-CA 3.28Å; G144-G226 WeakPolarHBondContact O-CA 3.46Å; G144-G226 PolarHBondContact O-N 3.38Å
145	L	95.6	Very high	94.1	Very high	10 Å²	10	52 Å²	52	5%	0.052	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	148.7	178.8	-57.5	175.4	0	0	0	111.6	F141 E142 G143 P223 V224 D505 L511	F141-L145 CarbonylContact C-O 3.59Å; F141-L145 VanDerWaalsContact CA-O 3.24Å; F141-L145 WeakPolarHBondContact CA-O 3.23Å; E142-L145 PolarHBondContact N-O 3.07Å; E142-L145 WeakPolarHBondContact O-CA 3.48Å; E142-L145 WeakPolarHBondContact O-CB 3.39Å; E142-L145 PolarHBondContact O-N 3.29Å; G143-L145 PolarHBondContact O-N 3.28Å; L145-P223 HydrophobicContact CB-CB 4.23Å; L145-P223 HydrophobicContact CD1-CB 4.04Å; L145-P223 HydrophobicContact CD1-CG 4.36Å; L145-V224 CarbonylContact C-O 3.57Å; L145-V224 WeakPolarHBondContact CA-O 3.32Å; L145-D505 HydrophobicContact CD1-CB 3.73Å; L145-L511 HydrophobicContact CD2-CD1 3.5Å
146	R	96.4	Very high	94.1	Very high	12 Å²	12	52.1 Å²	52.1	5%	0.045	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.7	167.6	177.4	-174.1	179	120.8	11.8	109.5	Y139 F141 V224 N258 E267	Y139-R146 HydrophobicContact CD2-CG 4.46Å; F141-R146 HydrophobicContact CD1-CB 3.95Å; F141-R146 HydrophobicContact CD1-CG 4.49Å; F141-R146 HydrophobicContact CE1-CB 3.75Å; F141-R146 HydrophobicContact CE1-CG 4.04Å; F141-R146 HydrophobicContact CZ-CG 4.5Å; R146-V224 HydrophobicContact CB-CG2 3.83Å; R146-V224 HydrophobicContact CG-CG2 4.24Å; R146-V224 PolarHBondContact N-O 3.19Å; R146-V224 PolarHBondContact O-N 2.86Å; R146-N258 WeakPolarHBondContact CD-OD1 3.34Å; R146-N258 PolarHBondContact NE-OD1 2.68Å; R146-N258 PolarHBondContact O-ND2 2.94Å; R146-E267 IonicContact CZ-OE1 2.87Å; R146-E267 IonicContact NH1-OE1 3.54Å; R146-E267 PolarHBondContact NH1-OE1 3.3Å; R146-E267 IonicContact NH1-OE2 2.63Å; R146-E267 PolarHBondContact NH1-OE2 2.96Å; R146-E267 IonicContact NH2-OE1 2.69Å; R146-E267 PolarHBondContact NH2-OE1 2.91Å
147	K	95.4	Very high	94.2	Very high	26 Å²	26	52.1 Å²	52.1	11%	0.113	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	150.7	-178.9	-57.4	-169.7	-177	-177.6	0	110.6	Y139 F140 E142 P223 D505	Y139-K147 CarbonylContact C-O 3.57Å; Y139-K147 WeakPolarHBondContact CA-O 3.3Å; Y139-K147 VanDerWaalsContact CB-O 3.27Å; Y139-K147 WeakPolarHBondContact CB-O 3.44Å; F140-K147 HydrophobicContact CD1-CB 4.12Å; F140-K147 HydrophobicContact CD2-CB 4.2Å; F140-K147 HydrophobicContact CE1-CB 3.68Å; F140-K147 HydrophobicContact CE2-CB 3.78Å; F140-K147 HydrophobicContact CE2-CD 3.76Å; F140-K147 HydrophobicContact CE2-CG 4.22Å; F140-K147 HydrophobicContact CG-CB 4.36Å; F140-K147 HydrophobicContact CZ-CB 3.51Å; F140-K147 HydrophobicContact CZ-CD 3.87Å; F140-K147 HydrophobicContact CZ-CG 4.27Å; F140-K147 PolarHBondContact N-O 3.09Å; F140-K147 PolarHBondContact O-N 3.29Å; E142-K147 HydrophobicContact CB-CD 4.33Å; E142-K147 WeakPolarHBondContact OE2-CE 3.42Å; E142-K147 IonicContact OE2-NZ 3.86Å; E142-K147 PolarHBondContact OE2-NZ 2.92Å; K147-P223 HydrophobicContact CG-CB 4.21Å; K147-D505 WeakPolarHBondContact CE-OD1 3.45Å; K147-D505 IonicContact NZ-OD1 2.87Å; K147-D505 PolarHBondContact NZ-OD1 2.89Å; K147-D505 IonicContact NZ-OD2 3.57Å; K147-D505 PolarHBondContact NZ-OD2 3.41Å
148	V	95.6	Very high	94	Very high	10 Å²	10	55.4 Å²	55.4	6%	0.061	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129	177.9	176.6	0	0	0	0	108.1	T137 P150 Y151 E221 H257 N258	T137-V148 HydrophobicContact CG2-CG1 3.58Å; V148-P150 WeakPolarHBondContact O-CD 3.4Å; V148-Y151 HydrophobicContact CG1-CD1 4.19Å; V148-Y151 HydrophobicContact CG1-CE1 4.09Å; V148-E221 HydrophobicContact CB-CB 4.42Å; V148-H257 HydrophobicContact CG1-CB 3.97Å; V148-H257 HydrophobicContact CG2-CB 3.84Å; V148-N258 HydrophobicContact CG2-CB 4.49Å; V148-N258 WeakPolarHBondContact CG2-OD1 3.42Å
149	C	95.3	Very high	94	Very high	21 Å²	21	53.3 Å²	53.3	14%	0.142	28%	0.281	C	S	.	.			trans	-62.4	128.9	176.7	-66.4	0	0	0	0	109.5	T137 S138 P489	T137-C149 WeakPolarHBondContact OG1-CB 3.5Å; T137-C149 PolarHBondContact OG1-O 3.11Å; S138-C149 PolarHBondContact O-N 2.82Å; S138-C149 PolarHBondContact OG-SG 3.34Å; C149-P489 HydrophobicContact CB-CB 4.08Å
150	P	94.8	Very high	93.8	Very high	20 Å²	20	53 Å²	53	13%	0.13	28%	0.282	C	S	.	.			trans	-51.3	142.3	177.5	-31	34.9	0	0	0	113.4	V148 H218 R219 G490	V148-P150 WeakPolarHBondContact O-CD 3.4Å; P150-H218 WeakPolarHBondContact CB-CE1 3.25Å; P150-R219 WeakPolarHBondContact CA-O 3.46Å; P150-G490 PolarHBondContact O-N 2.69Å
151	Y	94.8	Very high	93.6	Very high	7 Å²	7	52 Å²	52	3%	0.027	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	154.7	-168.2	66.6	-88	0	0	0	112.7	E136 T137 V148 F153 R219 E221 H257	E136-Y151 HydrophobicContact CG-CD2 4.24Å; E136-Y151 WeakPolarHBondContact OE2-CD2 3.19Å; E136-Y151 WeakPolarHBondContact OE2-CE2 3.43Å; T137-Y151 HydrophobicContact CG2-CD1 3.58Å; T137-Y151 HydrophobicContact CG2-CE1 4.1Å; T137-Y151 HydrophobicContact CG2-CG 3.91Å; V148-Y151 HydrophobicContact CG1-CD1 4.19Å; V148-Y151 HydrophobicContact CG1-CE1 4.09Å; Y151-F153 HydrophobicContact CD2-CB 4.36Å; Y151-F153 HydrophobicContact CE2-CB 4.01Å; Y151-R219 HydrophobicContact CE1-CB 4.25Å; Y151-R219 HydrophobicContact CE2-CB 4.26Å; Y151-R219 PolarHBondContact N-O 3.15Å; Y151-R219 PolarHBondContact O-N 3.37Å; Y151-E221 HydrophobicContact CE1-CG 4.05Å; Y151-E221 WeakPolarHBondContact CE1-OE1 3.36Å; Y151-E221 PolarHBondContact OH-OE1 2.98Å; Y151-H257 AromaticContact CE1-CD2 3.74Å; Y151-H257 AromaticContact CZ-CD2 3.57Å; Y151-H257 AromaticContact CZ-NE2 3.84Å; Y151-H257 PolarHBondContact OH-CD2 2.89Å
152	Y	93.5	Very high	93.5	Very high	69 Å²	69	51.8 Å²	51.8	27%	0.271	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	136.3	174.8	-72.2	-89.8	0	0	0	111.6	T216 V217 H218 S487 D493	Y152-T216 HydrophobicContact CD1-CG2 4.25Å; Y152-V217 CarbonylContact C-O 3.54Å; Y152-V217 WeakPolarHBondContact CA-O 3.41Å; Y152-H218 HydrophobicContact CD1-CB 4.29Å; Y152-H218 AromaticContact CD2-CD2 3.85Å; Y152-H218 HydrophobicContact CE1-CB 4.01Å; Y152-H218 AromaticContact CE2-CD2 3.6Å; Y152-H218 AromaticContact CZ-CD2 3.75Å; Y152-S487 WeakPolarHBondContact CE2-OG 3.3Å; Y152-D493 PolarHBondContact OH-OD2 2.81Å
153	F	92.7	Very high	93.5	Very high	44 Å²	44	47 Å²	47	19%	0.193	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.5	-179.2	-178.9	-112.3	0	0	0	112.2	Y151 F155 T216 V217 R219	Y151-F153 HydrophobicContact CD2-CB 4.36Å; Y151-F153 HydrophobicContact CE2-CB 4.01Å; F153-F155 HydrophobicContact CD1-CD1 4.27Å; F153-F155 HydrophobicContact CD1-CD2 4.17Å; F153-F155 HydrophobicContact CD1-CE1 4.25Å; F153-F155 HydrophobicContact CD1-CE2 4.17Å; F153-F155 HydrophobicContact CD1-CG 4.23Å; F153-F155 HydrophobicContact CD1-CZ 4.21Å; F153-F155 AromaticContact CE1-CD1 3.69Å; F153-F155 HydrophobicContact CE1-CD1 3.69Å; F153-F155 HydrophobicContact CE1-CD2 4.4Å; F153-F155 AromaticContact CE1-CE1 3.76Å; F153-F155 HydrophobicContact CE1-CE1 3.76Å; F153-F155 HydrophobicContact CE1-CE2 4.48Å; F153-F155 HydrophobicContact CE1-CG 4.03Å; F153-F155 HydrophobicContact CE1-CZ 4.18Å; F153-T216 WeakPolarHBondContact O-CA 3.38Å; F153-V217 HydrophobicContact CB-CG2 4.42Å; F153-V217 PolarHBondContact N-O 2.93Å; F153-V217 PolarHBondContact O-N 3Å; F153-R219 VanDerWaalsContact CB-CD 3.43Å; F153-R219 HydrophobicContact CB-CG 3.9Å
154	D	92.6	Very high	93.6	Very high	40 Å²	40	47 Å²	47	21%	0.214	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	108.9	174	-77.8	-15.2	0	0	0	111.4	K156 R214 T216	D154-K156 HydrophobicContact CB-CD 4.26Å; D154-K156 HydrophobicContact CB-CG 4.06Å; D154-K156 VanDerWaalsContact CG-CE 3.49Å; D154-K156 PolarHBondContact O-N 2.7Å; D154-K156 WeakPolarHBondContact OD2-CE 3.46Å; D154-K156 IonicContact OD2-NZ 2.95Å; D154-K156 PolarHBondContact OD2-NZ 2.89Å; D154-R214 HydrophobicContact CB-CG 4.02Å; D154-R214 WeakPolarHBondContact OD2-CD 3.46Å; D154-R214 IonicContact OD2-CZ 3.67Å; D154-R214 IonicContact OD2-NE 3.64Å; D154-R214 IonicContact OD2-NH1 3.98Å; D154-R214 PolarHBondContact OD2-NH1 2.77Å; D154-T216 PolarHBondContact OD1-OG1 3.31Å
155	F	91.4	Very high	93.7	Very high	102 Å²	102	46.7 Å²	46.7	45%	0.447	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	117.7	159.3	-73.7	-73.2	0	0	0	109.5	F153 R214 N215 V217	F153-F155 HydrophobicContact CD1-CD1 4.27Å; F153-F155 HydrophobicContact CD1-CD2 4.17Å; F153-F155 HydrophobicContact CD1-CE1 4.25Å; F153-F155 HydrophobicContact CD1-CE2 4.17Å; F153-F155 HydrophobicContact CD1-CG 4.23Å; F153-F155 HydrophobicContact CD1-CZ 4.21Å; F153-F155 AromaticContact CE1-CD1 3.69Å; F153-F155 HydrophobicContact CE1-CD1 3.69Å; F153-F155 HydrophobicContact CE1-CD2 4.4Å; F153-F155 AromaticContact CE1-CE1 3.76Å; F153-F155 HydrophobicContact CE1-CE1 3.76Å; F153-F155 HydrophobicContact CE1-CE2 4.48Å; F153-F155 HydrophobicContact CE1-CG 4.03Å; F153-F155 HydrophobicContact CE1-CZ 4.18Å; F155-R214 CarbonylContact O-C 3.59Å; F155-R214 VanDerWaalsContact O-CA 3.29Å; F155-R214 WeakPolarHBondContact O-CA 3.39Å; F155-N215 HydrophobicContact CB-CB 4.48Å; F155-N215 PolarHBondContact N-O 3.18Å; F155-N215 PolarHBondContact O-N 3.01Å; F155-V217 HydrophobicContact CD2-CG1 4.2Å; F155-V217 HydrophobicContact CD2-CG2 3.74Å; F155-V217 HydrophobicContact CE2-CG1 4.41Å; F155-V217 HydrophobicContact CE2-CG2 3.56Å
156	K	92.3	Very high	93.7	Very high	113 Å²	113	50.2 Å²	50.2	49%	0.491	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.2	-178.4	-63.7	176.5	-164.3	179.5	0	111.1	D154 M213 R214	D154-K156 HydrophobicContact CB-CD 4.26Å; D154-K156 HydrophobicContact CB-CG 4.06Å; D154-K156 VanDerWaalsContact CG-CE 3.49Å; D154-K156 PolarHBondContact O-N 2.7Å; D154-K156 WeakPolarHBondContact OD2-CE 3.46Å; D154-K156 IonicContact OD2-NZ 2.95Å; D154-K156 PolarHBondContact OD2-NZ 2.89Å; K156-M213 WeakPolarHBondContact CA-O 2.96Å; K156-R214 HydrophobicContact CG-CB 4.43Å; K156-R214 HydrophobicContact CG-CG 4.11Å
157	T	91.9	Very high	93.7	Very high	43 Å²	43	50.3 Å²	50.3	26%	0.264	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	146.9	176.3	-165.8	0	0	0	0	112	W163 M213	T157-W163 HydrophobicContact CG2-CH2 3.87Å; T157-W163 HydrophobicContact CG2-CZ3 3.85Å; T157-M213 HydrophobicContact CG2-CB 4.27Å; T157-M213 HydrophobicContact CG2-CE 3.59Å; T157-M213 PolarHBondContact N-O 3.24Å; T157-M213 PolarHBondContact O-N 3.37Å
158	Y	92.3	Very high	93.7	Very high	76 Å²	76	49 Å²	49	30%	0.298	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	150.6	169.4	-70	-89.7	0	0	0	110	V117 P118 P119 P120 K160 D211 H212	V117-Y158 HydrophobicContact CG1-CE1 4.31Å; P118-Y158 PolarHBondContact O-OH 3.24Å; P119-Y158 PolarHBondContact O-OH 3.39Å; P120-Y158 WeakPolarHBondContact CA-OH 3.4Å; Y158-K160 PolarHBondContact O-N 2.93Å; Y158-D211 CarbonylContact C-O 3.35Å; Y158-H212 HydrophobicContact CD1-CB 4.12Å; Y158-H212 AromaticContact CD1-CD2 3.98Å; Y158-H212 AromaticContact CD2-CD2 3.94Å; Y158-H212 HydrophobicContact CE1-CB 3.99Å; Y158-H212 AromaticContact CE1-CD2 3.7Å; Y158-H212 AromaticContact CE2-CD2 3.63Å; Y158-H212 AromaticContact CZ-CD2 3.48Å; Y158-H212 VanDerWaalsContact CZ-CD2 3.48Å
159	C	92.3	Very high	93.6	Very high	14 Å²	14	50.8 Å²	50.8	10%	0.095	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-57.7	123.8	176.1	-176.8	0	0	0	0	110.5	R208 D211	C159-R208 WeakPolarHBondContact CB-O 3.28Å; C159-R208 PolarHBondContact SG-O 2.96Å; C159-R208 VanDerWaalsContact SG-O 3.36Å; C159-D211 HydrophobicContact CB-CB 4.11Å; C159-D211 VanDerWaalsContact CB-O 3.29Å; C159-D211 WeakPolarHBondContact CB-O 3.48Å; C159-D211 PolarHBondContact N-O 2.66Å
160	K	91	Very high	93.6	Very high	66 Å²	66	54.4 Å²	54.4	29%	0.287	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-81.6	153.5	176.1	-57.2	179.1	-165.1	160.8	0	109.9	Y158 R162 W163 E175	Y158-K160 PolarHBondContact O-N 2.93Å; K160-R162 VanDerWaalsContact C-N 3.26Å; K160-R162 HydrophobicContact CB-CG 4.36Å; K160-R162 VanDerWaalsContact NZ-NH2 3.11Å; K160-R162 PolarHBondContact O-N 3.13Å; K160-R162 VanDerWaalsContact O-N 3.16Å; K160-W163 HydrophobicContact CB-CD2 3.9Å; K160-W163 HydrophobicContact CB-CE3 4.23Å; K160-W163 HydrophobicContact CB-CG 4.2Å; K160-W163 HydrophobicContact CB-CZ2 4.5Å; K160-W163 HydrophobicContact CD-CD2 4.41Å; K160-W163 HydrophobicContact CD-CH2 3.89Å; K160-W163 HydrophobicContact CD-CZ2 3.51Å; K160-W163 VanDerWaalsContact CE-CH2 3.48Å; K160-W163 HydrophobicContact CG-CD2 4.13Å; K160-W163 HydrophobicContact CG-CE3 4.19Å; K160-W163 HydrophobicContact CG-CH2 3.93Å; K160-W163 HydrophobicContact CG-CZ2 3.93Å; K160-W163 HydrophobicContact CG-CZ3 4.06Å; K160-W163 WeakPolarHBondContact O-CB 3.35Å; K160-W163 PolarHBondContact O-N 2.88Å; K160-E175 IonicContact NZ-OE2 2.9Å; K160-E175 PolarHBondContact NZ-OE2 2.83Å
161	G	91.9	Very high	93.5	Very high	58 Å²	58	53.5 Å²	53.5	60%	0.598	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-51.1	-43.1	-179.2	0	0	0	0	0	114	W163 I164	G161-W163 PolarHBondContact O-N 3.06Å; G161-W163 VanDerWaalsContact O-N 3.17Å; G161-I164 WeakPolarHBondContact O-CB 3.44Å; G161-I164 WeakPolarHBondContact O-CG1 3.29Å; G161-I164 PolarHBondContact O-N 3.16Å
162	R	94.3	Very high	93.4	Very high	114 Å²	114	53.2 Å²	53.2	43%	0.43	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-70	-2.8	178.1	71.1	-169.2	-177.5	-130.1	9.4	116.3	K160 K166 E175	K160-R162 VanDerWaalsContact C-N 3.26Å; K160-R162 HydrophobicContact CB-CG 4.36Å; K160-R162 VanDerWaalsContact NZ-NH2 3.11Å; K160-R162 PolarHBondContact O-N 3.13Å; K160-R162 VanDerWaalsContact O-N 3.16Å; R162-K166 WeakPolarHBondContact O-CE 3.49Å; R162-K166 PolarHBondContact O-NZ 3.33Å; R162-E175 IonicContact CZ-OE1 3.45Å; R162-E175 IonicContact CZ-OE2 3.56Å; R162-E175 IonicContact NE-OE1 2.74Å; R162-E175 PolarHBondContact NE-OE1 3.32Å; R162-E175 IonicContact NE-OE2 2.73Å; R162-E175 IonicContact NH2-OE1 3.59Å; R162-E175 PolarHBondContact NH2-OE1 2.83Å; R162-E175 IonicContact NH2-OE2 3.66Å; R162-E175 PolarHBondContact NH2-OE2 3.02Å
163	W	95.1	Very high	93.3	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.011	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-103.2	-15.4	174.2	-58	-14.2	0	0	0	112.5	T157 K160 G161 G165 K166 V171 E175 F176 L207	T157-W163 HydrophobicContact CG2-CH2 3.87Å; T157-W163 HydrophobicContact CG2-CZ3 3.85Å; K160-W163 HydrophobicContact CB-CD2 3.9Å; K160-W163 HydrophobicContact CB-CE3 4.23Å; K160-W163 HydrophobicContact CB-CG 4.2Å; K160-W163 HydrophobicContact CB-CZ2 4.5Å; K160-W163 HydrophobicContact CD-CD2 4.41Å; K160-W163 HydrophobicContact CD-CH2 3.89Å; K160-W163 HydrophobicContact CD-CZ2 3.51Å; K160-W163 VanDerWaalsContact CE-CH2 3.48Å; K160-W163 HydrophobicContact CG-CD2 4.13Å; K160-W163 HydrophobicContact CG-CE3 4.19Å; K160-W163 HydrophobicContact CG-CH2 3.93Å; K160-W163 HydrophobicContact CG-CZ2 3.93Å; K160-W163 HydrophobicContact CG-CZ3 4.06Å; K160-W163 WeakPolarHBondContact O-CB 3.35Å; K160-W163 PolarHBondContact O-N 2.88Å; G161-W163 PolarHBondContact O-N 3.06Å; G161-W163 VanDerWaalsContact O-N 3.17Å; W163-G165 PolarHBondContact O-N 3.15Å; W163-K166 WeakPolarHBondContact O-CB 3.41Å; W163-K166 PolarHBondContact O-N 2.93Å; W163-V171 HydrophobicContact CB-CG2 3.93Å; W163-V171 HydrophobicContact CD2-CG1 3.94Å; W163-V171 HydrophobicContact CD2-CG2 4.32Å; W163-V171 HydrophobicContact CE3-CG1 4.36Å; W163-V171 HydrophobicContact CG-CG1 4.24Å; W163-V171 HydrophobicContact CG-CG2 3.77Å; W163-V171 HydrophobicContact CZ2-CG1 4.18Å; W163-E175 WeakPolarHBondContact CZ2-OE2 3.42Å; W163-E175 PolarHBondContact NE1-OE1 3.45Å; W163-E175 PolarHBondContact NE1-OE2 3.25Å; W163-F176 AromaticContact CH2-CE2 3.8Å; W163-F176 HydrophobicContact CH2-CE2 3.8Å; W163-F176 AromaticContact CH2-CZ 3.72Å; W163-F176 HydrophobicContact CH2-CZ 3.72Å; W163-F176 AromaticContact CZ2-CE2 3.75Å; W163-F176 HydrophobicContact CZ2-CE2 3.75Å; W163-F176 AromaticContact CZ2-CZ 3.93Å; W163-F176 HydrophobicContact CZ2-CZ 3.93Å; W163-L207 HydrophobicContact CB-CD1 3.9Å; W163-L207 HydrophobicContact CE3-CD1 4.33Å
164	I	94.6	Very high	93	Very high	78 Å²	78	56.2 Å²	56.2	40%	0.4	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	128.9	-178.9	-60.3	172.1	0	0	0	108.5	G161 K166 N209	G161-I164 WeakPolarHBondContact O-CB 3.44Å; G161-I164 WeakPolarHBondContact O-CG1 3.29Å; G161-I164 PolarHBondContact O-N 3.16Å; I164-K166 VanDerWaalsContact C-N 3.28Å; I164-K166 PolarHBondContact O-N 2.78Å; I164-N209 HydrophobicContact CD1-CB 3.81Å; I164-N209 HydrophobicContact CG1-CB 4.44Å
165	G	94.3	Very high	92.7	Very high	55 Å²	55	57.4 Å²	57.4	57%	0.567	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-6.1	-177.1	0	0	0	0	0	115	W163 L207	W163-G165 PolarHBondContact O-N 3.15Å; G165-L207 PolarHBondContact N-O 3.04Å
166	K	95.9	Very high	92.5	Very high	83 Å²	83	55.4 Å²	55.4	36%	0.361	29%	0.29	S	S	.	.			trans	-92.2	152.3	171	-62.4	-176.1	179.4	170.7	0	111.3	R162 W163 I164 E170 V171 V206 L207	R162-K166 WeakPolarHBondContact O-CE 3.49Å; R162-K166 PolarHBondContact O-NZ 3.33Å; W163-K166 WeakPolarHBondContact O-CB 3.41Å; W163-K166 PolarHBondContact O-N 2.93Å; I164-K166 VanDerWaalsContact C-N 3.28Å; I164-K166 PolarHBondContact O-N 2.78Å; K166-E170 HydrophobicContact CB-CB 4.35Å; K166-V171 HydrophobicContact CB-CG2 4.17Å; K166-V206 WeakPolarHBondContact O-CA 3.42Å; K166-L207 PolarHBondContact O-N 2.77Å
167	S	96.4	Very high	92	Very high	14 Å²	14	57.5 Å²	57.5	10%	0.098	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-71	158.1	168.5	61.9	0	0	0	0	112.1	L169 E170 V171 S204 V205	S167-L169 PolarHBondContact O-N 3.29Å; S167-E170 WeakPolarHBondContact CB-OE2 3.34Å; S167-E170 PolarHBondContact N-OE2 2.96Å; S167-E170 PolarHBondContact O-N 3.35Å; S167-E170 VanDerWaalsContact OG-CG 3.27Å; S167-E170 WeakPolarHBondContact OG-CG 3.45Å; S167-E170 PolarHBondContact OG-N 3.45Å; S167-E170 PolarHBondContact OG-OE2 2.94Å; S167-V171 PolarHBondContact O-N 2.74Å; S167-S204 WeakPolarHBondContact CB-O 3.46Å; S167-V205 WeakPolarHBondContact CA-O 3.47Å
168	L	94.1	Very high	91.3	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57	-37.7	168.3	-84.2	-179.1	0	0	0	111.7	E170 V171 F172 I193 V200 L203 V205 L207 M213	L168-E170 PolarHBondContact O-N 2.85Å; L168-V171 PolarHBondContact O-N 2.8Å; L168-F172 HydrophobicContact CB-CD2 4.44Å; L168-F172 HydrophobicContact CB-CE2 4.19Å; L168-F172 HydrophobicContact CD2-CE2 4.35Å; L168-F172 HydrophobicContact CD2-CZ 4.19Å; L168-F172 WeakPolarHBondContact O-CD2 3.25Å; L168-F172 WeakPolarHBondContact O-CG 3.48Å; L168-F172 PolarHBondContact O-N 2.83Å; L168-I193 HydrophobicContact CD1-CG2 4.17Å; L168-V200 HydrophobicContact CD1-CG1 4.14Å; L168-V200 HydrophobicContact CD1-CG2 4.05Å; L168-L203 HydrophobicContact CB-CD2 4.24Å; L168-L203 WeakPolarHBondContact CB-O 3.46Å; L168-L203 PolarHBondContact N-O 2.83Å; L168-V205 HydrophobicContact CB-CG1 4.23Å; L168-V205 HydrophobicContact CD1-CG1 3.45Å; L168-V205 VanDerWaalsContact CD1-CG1 3.45Å; L168-V205 HydrophobicContact CG-CG1 3.76Å; L168-V205 PolarHBondContact N-O 3.43Å; L168-V205 VanDerWaalsContact N-O 3.11Å; L168-L207 HydrophobicContact CD2-CD1 4.19Å; L168-L207 HydrophobicContact CD2-CD2 3.86Å; L168-L207 HydrophobicContact CD2-CG 4.29Å; L168-L207 HydrophobicContact CG-CD2 4.21Å; L168-M213 HydrophobicContact CD2-CG 4.42Å; L168-M213 HydrophobicContact CD2-SD 3.5Å; L168-M213 WeakPolarHBondContact CD2-SD 2.97Å
169	L	94.6	Very high	91	Very high	47 Å²	47	56.6 Å²	56.6	25%	0.246	30%	0.295	C	S	.	.	H	α-helix	trans	-56.4	-48.8	177.5	-177.5	60.6	0	0	0	112.5	S167 V171 F172 K173 I181 L203	S167-L169 PolarHBondContact O-N 3.29Å; L169-V171 VanDerWaalsContact C-N 3.34Å; L169-V171 PolarHBondContact O-N 3.42Å; L169-F172 PolarHBondContact O-N 3.01Å; L169-K173 HydrophobicContact CD1-CD 4.37Å; L169-K173 HydrophobicContact CG-CD 4.35Å; L169-K173 WeakPolarHBondContact O-CB 3.34Å; L169-K173 WeakPolarHBondContact O-CG 3.25Å; L169-K173 PolarHBondContact O-N 2.86Å; L169-I181 HydrophobicContact CD1-CG2 3.48Å; L169-I181 VanDerWaalsContact CD1-CG2 3.48Å; L169-L203 HydrophobicContact CB-CB 3.9Å; L169-L203 HydrophobicContact CD1-CB 4.45Å; L169-L203 HydrophobicContact CD1-CD1 4.05Å; L169-L203 PolarHBondContact N-O 2.9Å
170	E	93.9	Very high	90.9	Very high	97 Å²	97	58.2 Å²	58.2	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-65.5	-37.2	178.4	-71.1	163	115.9	0	0	112.1	K166 S167 L168 S174	K166-E170 HydrophobicContact CB-CB 4.35Å; S167-E170 WeakPolarHBondContact CB-OE2 3.34Å; S167-E170 PolarHBondContact N-OE2 2.96Å; S167-E170 PolarHBondContact O-N 3.35Å; S167-E170 VanDerWaalsContact OG-CG 3.27Å; S167-E170 WeakPolarHBondContact OG-CG 3.45Å; S167-E170 PolarHBondContact OG-N 3.45Å; S167-E170 PolarHBondContact OG-OE2 2.94Å; L168-E170 PolarHBondContact O-N 2.85Å; E170-S174 WeakPolarHBondContact O-CB 3.46Å; E170-S174 PolarHBondContact O-N 3.49Å; E170-S174 PolarHBondContact O-OG 2.82Å
171	V	94	Very high	90.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70.2	-40.9	178.2	171.5	0	0	0	0	111.5	W163 K166 S167 L168 L169 S174 E175 F176 L207	W163-V171 HydrophobicContact CB-CG2 3.93Å; W163-V171 HydrophobicContact CD2-CG1 3.94Å; W163-V171 HydrophobicContact CD2-CG2 4.32Å; W163-V171 HydrophobicContact CE3-CG1 4.36Å; W163-V171 HydrophobicContact CG-CG1 4.24Å; W163-V171 HydrophobicContact CG-CG2 3.77Å; W163-V171 HydrophobicContact CZ2-CG1 4.18Å; K166-V171 HydrophobicContact CB-CG2 4.17Å; S167-V171 PolarHBondContact O-N 2.74Å; L168-V171 PolarHBondContact O-N 2.8Å; L169-V171 VanDerWaalsContact C-N 3.34Å; L169-V171 PolarHBondContact O-N 3.42Å; V171-S174 PolarHBondContact O-N 3.07Å; V171-E175 PolarHBondContact O-N 3.19Å; V171-F176 HydrophobicContact CG1-CD2 3.92Å; V171-F176 HydrophobicContact CG1-CE2 3.72Å; V171-L207 HydrophobicContact CB-CD1 4.38Å; V171-L207 HydrophobicContact CG2-CD1 3.79Å
172	F	93	Very high	90.9	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.009	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-46.1	173.4	-67.6	-36.1	0	0	0	111.7	L168 L169 S174 F176 I181 Y184 I193 L203 M213	L168-F172 HydrophobicContact CB-CD2 4.44Å; L168-F172 HydrophobicContact CB-CE2 4.19Å; L168-F172 HydrophobicContact CD2-CE2 4.35Å; L168-F172 HydrophobicContact CD2-CZ 4.19Å; L168-F172 WeakPolarHBondContact O-CD2 3.25Å; L168-F172 WeakPolarHBondContact O-CG 3.48Å; L168-F172 PolarHBondContact O-N 2.83Å; L169-F172 PolarHBondContact O-N 3.01Å; F172-S174 VanDerWaalsContact C-N 3.3Å; F172-S174 PolarHBondContact O-N 3.03Å; F172-F176 HydrophobicContact CD1-CB 3.91Å; F172-F176 AromaticContact CD1-CD2 3.82Å; F172-F176 HydrophobicContact CD1-CD2 3.82Å; F172-F176 HydrophobicContact CD1-CG 4.12Å; F172-F176 HydrophobicContact CE1-CD2 4.27Å; F172-F176 CarbonylContact O-C 3.27Å; F172-F176 VanDerWaalsContact O-C 3.27Å; F172-F176 PolarHBondContact O-N 3.02Å; F172-I181 HydrophobicContact CB-CD1 4.38Å; F172-Y184 HydrophobicContact CB-CD2 3.88Å; F172-Y184 HydrophobicContact CB-CE2 3.99Å; F172-Y184 HydrophobicContact CB-CG 4.35Å; F172-Y184 HydrophobicContact CD1-CD1 4.37Å; F172-Y184 HydrophobicContact CD1-CE1 4.16Å; F172-Y184 HydrophobicContact CD1-CE2 4.47Å; F172-Y184 HydrophobicContact CD2-CD1 4.02Å; F172-Y184 HydrophobicContact CD2-CD2 4.24Å; F172-Y184 AromaticContact CD2-CG 3.83Å; F172-Y184 HydrophobicContact CD2-CG 3.83Å; F172-Y184 HydrophobicContact CE1-CD1 4.4Å; F172-Y184 HydrophobicContact CE1-CE1 4.23Å; F172-Y184 HydrophobicContact CE2-CD1 4.06Å; F172-Y184 HydrophobicContact CE2-CG 4.27Å; F172-Y184 HydrophobicContact CG-CD1 4.2Å; F172-Y184 HydrophobicContact CG-CD2 4.06Å; F172-Y184 HydrophobicContact CG-CE1 4.36Å; F172-Y184 HydrophobicContact CG-CE2 4.2Å; F172-Y184 HydrophobicContact CG-CG 4.05Å; F172-Y184 HydrophobicContact CZ-CD1 4.25Å; F172-Y184 HydrophobicContact CZ-CE1 4.49Å; F172-I193 HydrophobicContact CE2-CD1 3.6Å; F172-I193 HydrophobicContact CE2-CG2 4.26Å; F172-I193 HydrophobicContact CZ-CD1 3.86Å; F172-I193 HydrophobicContact CZ-CG2 4.02Å; F172-L203 HydrophobicContact CD2-CD1 4.48Å; F172-L203 HydrophobicContact CD2-CD2 3.83Å; F172-L203 HydrophobicContact CE2-CD2 3.6Å; F172-M213 HydrophobicContact CE1-CE 4.14Å; F172-M213 HydrophobicContact CE1-SD 3.74Å; F172-M213 HydrophobicContact CZ-SD 3.82Å
173	K	90.4	Very high	90.8	Very high	120 Å²	120	54.1 Å²	54.1	52%	0.522	28%	0.278	S	S	.	.	H	α-helix	trans	-56.9	-37.1	175.3	-78.8	-178.2	175.6	-178.5	0	113.9	L169 R177 I181	L169-K173 HydrophobicContact CD1-CD 4.37Å; L169-K173 HydrophobicContact CG-CD 4.35Å; L169-K173 WeakPolarHBondContact O-CB 3.34Å; L169-K173 WeakPolarHBondContact O-CG 3.25Å; L169-K173 PolarHBondContact O-N 2.86Å; K173-R177 WeakPolarHBondContact O-CD 3.49Å; K173-R177 WeakPolarHBondContact O-CG 3.47Å; K173-I181 HydrophobicContact CB-CD1 4.39Å; K173-I181 HydrophobicContact CG-CD1 3.44Å; K173-I181 VanDerWaalsContact CG-CD1 3.44Å; K173-I181 HydrophobicContact CG-CG1 3.8Å
174	S	87	Confident	90.8	Very high	55 Å²	55	54.3 Å²	54.3	39%	0.385	28%	0.279	S	S	.	.	H	α-helix	trans	-93.3	-46.1	-174.1	55.4	0	0	0	0	114.1	E170 V171 F172 R177	E170-S174 WeakPolarHBondContact O-CB 3.46Å; E170-S174 PolarHBondContact O-N 3.49Å; E170-S174 PolarHBondContact O-OG 2.82Å; V171-S174 PolarHBondContact O-N 3.07Å; F172-S174 VanDerWaalsContact C-N 3.3Å; F172-S174 PolarHBondContact O-N 3.03Å; S174-R177 PolarHBondContact O-NE 2.97Å
175	E	86.9	Confident	90.8	Very high	65 Å²	65	54.6 Å²	54.6	30%	0.304	28%	0.279	S	S	.	.	H	α-helix	trans	-108.3	-26.4	-170.3	-72.9	-164.9	-145.6	0	0	115.4	K160 R162 W163 V171	K160-E175 IonicContact NZ-OE2 2.9Å; K160-E175 PolarHBondContact NZ-OE2 2.83Å; R162-E175 IonicContact CZ-OE1 3.45Å; R162-E175 IonicContact CZ-OE2 3.56Å; R162-E175 IonicContact NE-OE1 2.74Å; R162-E175 PolarHBondContact NE-OE1 3.32Å; R162-E175 IonicContact NE-OE2 2.73Å; R162-E175 IonicContact NH2-OE1 3.59Å; R162-E175 PolarHBondContact NH2-OE1 2.83Å; R162-E175 IonicContact NH2-OE2 3.66Å; R162-E175 PolarHBondContact NH2-OE2 3.02Å; W163-E175 WeakPolarHBondContact CZ2-OE2 3.42Å; W163-E175 PolarHBondContact NE1-OE1 3.45Å; W163-E175 PolarHBondContact NE1-OE2 3.25Å; V171-E175 PolarHBondContact O-N 3.19Å
176	F	86.5	Confident	90.7	Very high	60 Å²	60	57.3 Å²	57.3	26%	0.263	28%	0.275	S	S	.	.			trans	-115.9	55.1	-177.3	-58.2	-83.8	0	0	0	111.3	W163 V171 F172 A178 Y184 M213	W163-F176 AromaticContact CH2-CE2 3.8Å; W163-F176 HydrophobicContact CH2-CE2 3.8Å; W163-F176 AromaticContact CH2-CZ 3.72Å; W163-F176 HydrophobicContact CH2-CZ 3.72Å; W163-F176 AromaticContact CZ2-CE2 3.75Å; W163-F176 HydrophobicContact CZ2-CE2 3.75Å; W163-F176 AromaticContact CZ2-CZ 3.93Å; W163-F176 HydrophobicContact CZ2-CZ 3.93Å; V171-F176 HydrophobicContact CG1-CD2 3.92Å; V171-F176 HydrophobicContact CG1-CE2 3.72Å; F172-F176 HydrophobicContact CD1-CB 3.91Å; F172-F176 AromaticContact CD1-CD2 3.82Å; F172-F176 HydrophobicContact CD1-CD2 3.82Å; F172-F176 HydrophobicContact CD1-CG 4.12Å; F172-F176 HydrophobicContact CE1-CD2 4.27Å; F172-F176 CarbonylContact O-C 3.27Å; F172-F176 VanDerWaalsContact O-C 3.27Å; F172-F176 PolarHBondContact O-N 3.02Å; F176-A178 PolarHBondContact O-N 3.44Å; F176-Y184 WeakPolarHBondContact O-CE2 3.43Å; F176-Y184 PolarHBondContact O-OH 3.22Å; F176-M213 HydrophobicContact CE2-CE 3.79Å; F176-M213 HydrophobicContact CZ-CE 3.82Å
177	R	82.3	Confident	90.7	Very high	158 Å²	158	53.4 Å²	53.4	60%	0.596	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	40.8	175.6	-64.2	176.7	-82.6	154.3	-10.7	112.6	K173 S174	K173-R177 WeakPolarHBondContact O-CD 3.49Å; K173-R177 WeakPolarHBondContact O-CG 3.47Å; S174-R177 PolarHBondContact O-NE 2.97Å
178	A	76.9	Confident	90.6	Very high	32 Å²	32	53 Å²	53	26%	0.264	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-30.2	180	0	0	0	0	0	112.1	F176 M437	F176-A178 PolarHBondContact O-N 3.44Å; A178-M437 HydrophobicContact CB-CE 3.31Å; A178-M437 HydrophobicContact CB-SD 3.93Å
179	E	85.7	Confident	90.6	Very high	67 Å²	67	60.9 Å²	60.9	31%	0.313	29%	0.289	S	S	.	.	S	Bend	trans	-140.8	161.1	-175	-66.2	-71.3	175.8	0	0	107.9	Y183 Y184	E179-Y183 HydrophobicContact CB-CD1 3.47Å; E179-Y183 VanDerWaalsContact CB-CD1 3.47Å; E179-Y183 HydrophobicContact CB-CE1 4.07Å; E179-Y183 HydrophobicContact CB-CG 3.83Å; E179-Y183 HydrophobicContact CG-CD1 3.75Å; E179-Y183 HydrophobicContact CG-CE1 3.84Å; E179-Y183 HydrophobicContact CG-CG 4.17Å; E179-Y184 HydrophobicContact CB-CE2 4Å; E179-Y184 WeakPolarHBondContact O-CE2 3.17Å
180	S	89.5	Confident	90.6	Very high	49 Å²	49	62.6 Å²	62.6	34%	0.343	30%	0.296	S	S	.	.			trans	-71.4	164.1	179.2	95.2	0	0	0	0	112.5	E182 Y183 Y184	S180-E182 VanDerWaalsContact C-N 3.3Å; S180-E182 WeakPolarHBondContact CB-OE2 3.36Å; S180-E182 PolarHBondContact O-N 2.79Å; S180-E182 PolarHBondContact OG-N 3.27Å; S180-E182 PolarHBondContact OG-OE2 2.96Å; S180-Y183 WeakPolarHBondContact O-CB 3.47Å; S180-Y183 PolarHBondContact O-N 3.18Å; S180-Y183 PolarHBondContact OG-N 3.01Å; S180-Y184 WeakPolarHBondContact O-CD2 3.47Å; S180-Y184 PolarHBondContact O-N 3.34Å
181	I	92.1	Very high	90.6	Very high	29 Å²	29	58.7 Å²	58.7	15%	0.149	28%	0.282	C	S	.	.	H	α-helix	trans	-68.3	-35.3	177.9	-60.6	-52.5	0	0	0	111.1	L169 F172 K173 Y183 Y184 E185	L169-I181 HydrophobicContact CD1-CG2 3.48Å; L169-I181 VanDerWaalsContact CD1-CG2 3.48Å; F172-I181 HydrophobicContact CB-CD1 4.38Å; K173-I181 HydrophobicContact CB-CD1 4.39Å; K173-I181 HydrophobicContact CG-CD1 3.44Å; K173-I181 VanDerWaalsContact CG-CD1 3.44Å; K173-I181 HydrophobicContact CG-CG1 3.8Å; I181-Y183 VanDerWaalsContact C-N 3.26Å; I181-Y183 PolarHBondContact O-N 3.25Å; I181-Y184 HydrophobicContact CD1-CD2 4.28Å; I181-Y184 PolarHBondContact O-N 3.17Å; I181-Y184 VanDerWaalsContact O-N 3.07Å; I181-E185 WeakPolarHBondContact O-CG 3.36Å; I181-E185 PolarHBondContact O-N 3.19Å
182	E	91.6	Very high	90.6	Very high	107 Å²	107	59.8 Å²	59.8	50%	0.5	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-30.9	174.7	-52.3	70.3	-151.6	0	0	111.6	S180 K186	S180-E182 VanDerWaalsContact C-N 3.3Å; S180-E182 WeakPolarHBondContact CB-OE2 3.36Å; S180-E182 PolarHBondContact O-N 2.79Å; S180-E182 PolarHBondContact OG-N 3.27Å; S180-E182 PolarHBondContact OG-OE2 2.96Å; E182-K186 WeakPolarHBondContact O-CD 3.38Å; E182-K186 VanDerWaalsContact O-CG 3.23Å; E182-K186 WeakPolarHBondContact O-CG 3.41Å; E182-K186 PolarHBondContact O-N 2.86Å
183	Y	93.1	Very high	90.8	Very high	16 Å²	16	59.7 Å²	59.7	6%	0.063	29%	0.285	C	S	.	.	H	α-helix	trans	-64.9	-50.2	168.6	170.4	-86.1	0	0	0	110.8	E179 S180 I181 E185 K186 A187 L495	E179-Y183 HydrophobicContact CB-CD1 3.47Å; E179-Y183 VanDerWaalsContact CB-CD1 3.47Å; E179-Y183 HydrophobicContact CB-CE1 4.07Å; E179-Y183 HydrophobicContact CB-CG 3.83Å; E179-Y183 HydrophobicContact CG-CD1 3.75Å; E179-Y183 HydrophobicContact CG-CE1 3.84Å; E179-Y183 HydrophobicContact CG-CG 4.17Å; S180-Y183 WeakPolarHBondContact O-CB 3.47Å; S180-Y183 PolarHBondContact O-N 3.18Å; S180-Y183 PolarHBondContact OG-N 3.01Å; I181-Y183 VanDerWaalsContact C-N 3.26Å; I181-Y183 PolarHBondContact O-N 3.25Å; Y183-E185 VanDerWaalsContact C-N 3.3Å; Y183-E185 PolarHBondContact O-N 3.49Å; Y183-K186 PolarHBondContact O-N 2.89Å; Y183-K186 VanDerWaalsContact O-N 3.14Å; Y183-A187 HydrophobicContact CD1-CB 4.48Å; Y183-A187 HydrophobicContact CE1-CB 4.11Å; Y183-A187 WeakPolarHBondContact O-CB 3.44Å; Y183-A187 PolarHBondContact O-N 3.06Å; Y183-L495 HydrophobicContact CD2-CB 4.36Å; Y183-L495 HydrophobicContact CE2-CB 3.95Å
184	Y	93.7	Very high	91	Very high	6 Å²	6	58 Å²	58	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-35	-179.2	-70.6	-61.5	0	0	0	112.8	F172 F176 E179 S180 I181 T188 I193	F172-Y184 HydrophobicContact CB-CD2 3.88Å; F172-Y184 HydrophobicContact CB-CE2 3.99Å; F172-Y184 HydrophobicContact CB-CG 4.35Å; F172-Y184 HydrophobicContact CD1-CD1 4.37Å; F172-Y184 HydrophobicContact CD1-CE1 4.16Å; F172-Y184 HydrophobicContact CD1-CE2 4.47Å; F172-Y184 HydrophobicContact CD2-CD1 4.02Å; F172-Y184 HydrophobicContact CD2-CD2 4.24Å; F172-Y184 AromaticContact CD2-CG 3.83Å; F172-Y184 HydrophobicContact CD2-CG 3.83Å; F172-Y184 HydrophobicContact CE1-CD1 4.4Å; F172-Y184 HydrophobicContact CE1-CE1 4.23Å; F172-Y184 HydrophobicContact CE2-CD1 4.06Å; F172-Y184 HydrophobicContact CE2-CG 4.27Å; F172-Y184 HydrophobicContact CG-CD1 4.2Å; F172-Y184 HydrophobicContact CG-CD2 4.06Å; F172-Y184 HydrophobicContact CG-CE1 4.36Å; F172-Y184 HydrophobicContact CG-CE2 4.2Å; F172-Y184 HydrophobicContact CG-CG 4.05Å; F172-Y184 HydrophobicContact CZ-CD1 4.25Å; F172-Y184 HydrophobicContact CZ-CE1 4.49Å; F176-Y184 WeakPolarHBondContact O-CE2 3.43Å; F176-Y184 PolarHBondContact O-OH 3.22Å; E179-Y184 HydrophobicContact CB-CE2 4Å; E179-Y184 WeakPolarHBondContact O-CE2 3.17Å; S180-Y184 WeakPolarHBondContact O-CD2 3.47Å; S180-Y184 PolarHBondContact O-N 3.34Å; I181-Y184 HydrophobicContact CD1-CD2 4.28Å; I181-Y184 PolarHBondContact O-N 3.17Å; I181-Y184 VanDerWaalsContact O-N 3.07Å; Y184-T188 VanDerWaalsContact O-CB 3.31Å; Y184-T188 WeakPolarHBondContact O-CB 3.47Å; Y184-T188 PolarHBondContact O-N 3.07Å; Y184-T188 PolarHBondContact O-OG1 2.77Å; Y184-I193 HydrophobicContact CD1-CD1 3.82Å; Y184-I193 HydrophobicContact CG-CD1 4.47Å; Y184-I193 WeakPolarHBondContact O-CD1 3.36Å
185	E	94.1	Very high	91.4	Very high	85 Å²	85	55.9 Å²	55.9	40%	0.397	26%	0.26	S	S	.	.	H	α-helix	trans	-65.2	-40.8	173	-71.7	179.4	-177.5	0	0	112.6	I181 Y183 T188 K189 L203	I181-E185 WeakPolarHBondContact O-CG 3.36Å; I181-E185 PolarHBondContact O-N 3.19Å; Y183-E185 VanDerWaalsContact C-N 3.3Å; Y183-E185 PolarHBondContact O-N 3.49Å; E185-T188 WeakPolarHBondContact O-CB 3.38Å; E185-T188 PolarHBondContact O-N 2.83Å; E185-K189 WeakPolarHBondContact O-CG 3.29Å; E185-K189 PolarHBondContact O-N 2.77Å; E185-K189 VanDerWaalsContact O-N 3.15Å; E185-L203 HydrophobicContact CG-CD1 3.76Å
186	K	93.9	Very high	91.6	Very high	112 Å²	112	53.2 Å²	53.2	49%	0.487	25%	0.248	S	C	.	.	H	α-helix	trans	-68.6	-44.9	175	-69.8	166.7	-171.6	172.6	0	111.5	E182 Y183 T188 K189 E190 L495	E182-K186 WeakPolarHBondContact O-CD 3.38Å; E182-K186 VanDerWaalsContact O-CG 3.23Å; E182-K186 WeakPolarHBondContact O-CG 3.41Å; E182-K186 PolarHBondContact O-N 2.86Å; Y183-K186 PolarHBondContact O-N 2.89Å; Y183-K186 VanDerWaalsContact O-N 3.14Å; K186-T188 PolarHBondContact O-N 3.49Å; K186-K189 PolarHBondContact O-N 3.13Å; K186-K189 VanDerWaalsContact O-N 3.14Å; K186-E190 PolarHBondContact O-N 3.29Å; K186-E190 VanDerWaalsContact O-N 3.08Å; K186-L495 HydrophobicContact CB-CD1 3.84Å; K186-L495 HydrophobicContact CB-CD2 3.8Å; K186-L495 HydrophobicContact CD-CD2 4.11Å; K186-L495 HydrophobicContact CG-CD2 4.46Å
187	A	94.2	Very high	91.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.7	-31.3	176.3	0	0	0	0	0	112.4	Y183 G191 R192 I193 L495	Y183-A187 HydrophobicContact CD1-CB 4.48Å; Y183-A187 HydrophobicContact CE1-CB 4.11Å; Y183-A187 WeakPolarHBondContact O-CB 3.44Å; Y183-A187 PolarHBondContact O-N 3.06Å; A187-G191 PolarHBondContact O-N 2.85Å; A187-R192 HydrophobicContact CB-CB 4.17Å; A187-R192 VanDerWaalsContact O-CB 3.3Å; A187-R192 WeakPolarHBondContact O-CB 3.48Å; A187-R192 PolarHBondContact O-N 2.86Å; A187-I193 HydrophobicContact CB-CD1 4.24Å; A187-I193 HydrophobicContact CB-CG1 4.13Å; A187-L495 HydrophobicContact CB-CD1 4.21Å
188	T	94.9	Very high	92.3	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.037	25%	0.25	C	C	.	.	H	α-helix	trans	-65.3	-51.5	171.1	-63.4	0	0	0	0	111.5	Y184 E185 K186 E190 G191 I193 V200 D201 L203	Y184-T188 VanDerWaalsContact O-CB 3.31Å; Y184-T188 WeakPolarHBondContact O-CB 3.47Å; Y184-T188 PolarHBondContact O-N 3.07Å; Y184-T188 PolarHBondContact O-OG1 2.77Å; E185-T188 WeakPolarHBondContact O-CB 3.38Å; E185-T188 PolarHBondContact O-N 2.83Å; K186-T188 PolarHBondContact O-N 3.49Å; T188-E190 PolarHBondContact O-N 3.39Å; T188-E190 VanDerWaalsContact O-N 3.15Å; T188-G191 PolarHBondContact O-N 2.93Å; T188-I193 WeakPolarHBondContact OG1-CD1 3.38Å; T188-V200 HydrophobicContact CG2-CG2 3.79Å; T188-V200 VanDerWaalsContact CG2-O 3.29Å; T188-V200 WeakPolarHBondContact CG2-O 3.41Å; T188-D201 WeakPolarHBondContact CG2-O 3.29Å; T188-L203 VanDerWaalsContact OG1-CD2 3.26Å; T188-L203 WeakPolarHBondContact OG1-CD2 3.42Å
189	K	94.1	Very high	93.2	Very high	166 Å²	166	52 Å²	52	72%	0.722	26%	0.259	S	S	*	.	H	α-helix	trans	-59	-26.6	177.6	-69.3	167.8	-176.2	172.9	0	113.4	E185 K186	E185-K189 WeakPolarHBondContact O-CG 3.29Å; E185-K189 PolarHBondContact O-N 2.77Å; E185-K189 VanDerWaalsContact O-N 3.15Å; K186-K189 PolarHBondContact O-N 3.13Å; K186-K189 VanDerWaalsContact O-N 3.14Å
190	E	94.4	Very high	93.6	Very high	82 Å²	82	49.4 Å²	49.4	38%	0.383	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	5.4	174.4	-70.4	177.5	-153	0	0	114.4	K186 T188 R192 H494 L495	K186-E190 PolarHBondContact O-N 3.29Å; K186-E190 VanDerWaalsContact O-N 3.08Å; T188-E190 PolarHBondContact O-N 3.39Å; T188-E190 VanDerWaalsContact O-N 3.15Å; E190-R192 HydrophobicContact CB-CG 4.1Å; E190-R192 PolarHBondContact O-N 2.72Å; E190-R192 IonicContact OE2-CZ 3.46Å; E190-R192 IonicContact OE2-NE 3.24Å; E190-R192 PolarHBondContact OE2-NE 3.13Å; E190-R192 IonicContact OE2-NH2 3.65Å; E190-R192 PolarHBondContact OE2-NH2 2.83Å; E190-H494 IonicContact OE1-CD2 3.82Å; E190-H494 IonicContact OE1-CE1 3.39Å; E190-H494 PolarHBondContact OE1-CE1 3.38Å; E190-H494 IonicContact OE1-NE2 2.7Å; E190-H494 PolarHBondContact OE1-NE2 2.81Å; E190-H494 IonicContact OE2-CE1 3.39Å; E190-H494 PolarHBondContact OE2-CE1 3.43Å; E190-H494 IonicContact OE2-NE2 3.55Å; E190-L495 WeakPolarHBondContact OE1-CD1 3.41Å; E190-L495 WeakPolarHBondContact OE1-CD2 3.37Å; E190-L495 WeakPolarHBondContact OE1-CG 3.12Å; E190-L495 WeakPolarHBondContact OE2-CD1 3.23Å
191	G	94.1	Very high	93.6	Very high	15 Å²	15	54.3 Å²	54.3	16%	0.155	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	17.7	177.4	0	0	0	0	0	115.2	A187 T188 I193 R194	A187-G191 PolarHBondContact O-N 2.85Å; T188-G191 PolarHBondContact O-N 2.93Å; G191-I193 VanDerWaalsContact C-N 3.34Å; G191-R194 PolarHBondContact O-NE 2.96Å
192	R	94.5	Very high	93.6	Very high	23 Å²	23	56.7 Å²	56.7	9%	0.087	28%	0.283	C	S	.	.			trans	-72.5	-30.3	175.1	-55.9	-175.9	-172.6	-143.2	-1.6	111.8	A187 E190 T216 D493	A187-R192 HydrophobicContact CB-CB 4.17Å; A187-R192 VanDerWaalsContact O-CB 3.3Å; A187-R192 WeakPolarHBondContact O-CB 3.48Å; A187-R192 PolarHBondContact O-N 2.86Å; E190-R192 HydrophobicContact CB-CG 4.1Å; E190-R192 PolarHBondContact O-N 2.72Å; E190-R192 IonicContact OE2-CZ 3.46Å; E190-R192 IonicContact OE2-NE 3.24Å; E190-R192 PolarHBondContact OE2-NE 3.13Å; E190-R192 IonicContact OE2-NH2 3.65Å; E190-R192 PolarHBondContact OE2-NH2 2.83Å; R192-T216 PolarHBondContact O-N 2.93Å; R192-T216 PolarHBondContact O-OG1 3.25Å; R192-D493 IonicContact CZ-OD1 2.74Å; R192-D493 IonicContact CZ-OD2 3.53Å; R192-D493 VanDerWaalsContact CZ-OD2 3.24Å; R192-D493 VanDerWaalsContact NH1-CG 3.27Å; R192-D493 IonicContact NH1-OD1 2.92Å; R192-D493 PolarHBondContact NH1-OD1 2.91Å; R192-D493 IonicContact NH1-OD2 2.9Å; R192-D493 PolarHBondContact NH1-OD2 3.13Å; R192-D493 IonicContact NH2-OD1 3.19Å; R192-D493 PolarHBondContact NH2-OD1 2.86Å; R192-D493 IonicContact NH2-OD2 2.76Å; R192-D493 PolarHBondContact NH2-OD2 3.05Å
193	I	95.9	Very high	93.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.7	173.8	-49.1	-169.1	0	0	0	108.5	L168 F172 Y184 A187 T188 G191 V200 L203 R214	L168-I193 HydrophobicContact CD1-CG2 4.17Å; F172-I193 HydrophobicContact CE2-CD1 3.6Å; F172-I193 HydrophobicContact CE2-CG2 4.26Å; F172-I193 HydrophobicContact CZ-CD1 3.86Å; F172-I193 HydrophobicContact CZ-CG2 4.02Å; Y184-I193 HydrophobicContact CD1-CD1 3.82Å; Y184-I193 HydrophobicContact CG-CD1 4.47Å; Y184-I193 WeakPolarHBondContact O-CD1 3.36Å; A187-I193 HydrophobicContact CB-CD1 4.24Å; A187-I193 HydrophobicContact CB-CG1 4.13Å; T188-I193 WeakPolarHBondContact OG1-CD1 3.38Å; G191-I193 VanDerWaalsContact C-N 3.34Å; I193-V200 HydrophobicContact CB-CG2 4.06Å; I193-V200 HydrophobicContact CG2-CG2 3.88Å; I193-V200 PolarHBondContact O-N 3.2Å; I193-L203 HydrophobicContact CD1-CD2 4.23Å; I193-R214 WeakPolarHBondContact CA-O 3.33Å
194	R	95.6	Very high	93.9	Very high	85 Å²	85	55 Å²	55	32%	0.321	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.4	-177	-55.5	-171.4	173.9	-150	5.3	111.2	G191 E197 S198 M213 R214	G191-R194 PolarHBondContact O-NE 2.96Å; R194-E197 WeakPolarHBondContact CD-O 3.38Å; R194-E197 PolarHBondContact NH1-O 2.89Å; R194-S198 CarbonylContact C-O 3.42Å; R194-S198 WeakPolarHBondContact CA-O 3.41Å; R194-S198 VanDerWaalsContact CB-O 3.25Å; R194-S198 WeakPolarHBondContact CB-O 3.47Å; R194-M213 WeakPolarHBondContact O-CA 3.44Å; R194-R214 HydrophobicContact CB-CB 4.3Å; R194-R214 PolarHBondContact N-O 2.67Å; R194-R214 PolarHBondContact O-N 3.26Å
195	L	94.4	Very high	93.9	Very high	11 Å²	11	56.1 Å²	56.1	6%	0.058	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119	173.9	-164.7	69.1	0	0	0	108.3	E197 S198 V200 V205 L207 D211 M213	L195-E197 VanDerWaalsContact C-N 3.31Å; L195-E197 PolarHBondContact O-N 3Å; L195-S198 PolarHBondContact N-O 2.75Å; L195-S198 PolarHBondContact O-N 3.37Å; L195-V200 HydrophobicContact CB-CG1 3.46Å; L195-V200 VanDerWaalsContact CB-CG1 3.46Å; L195-V205 HydrophobicContact CD2-CG2 3.97Å; L195-L207 HydrophobicContact CD1-CD2 3.6Å; L195-L207 HydrophobicContact CD2-CD2 4.27Å; L195-D211 HydrophobicContact CD1-CB 3.9Å; L195-D211 HydrophobicContact CG-CB 4.35Å; L195-M213 HydrophobicContact CD1-CB 4.44Å
196	N	92.9	Very high	94	Very high	9 Å²	9	55.5 Å²	55.5	5%	0.048	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	46.1	-175.2	-55.2	-47.7	0	0	0	113.3	Y116 S198 D211 H212	Y116-N196 WeakPolarHBondContact O-CB 3.47Å; Y116-N196 PolarHBondContact O-ND2 2.99Å; Y116-N196 VanDerWaalsContact O-ND2 3.15Å; Y116-N196 PolarHBondContact O-OD1 3.36Å; N196-S198 PolarHBondContact O-N 3.49Å; N196-D211 PolarHBondContact ND2-OD1 3.4Å; N196-H212 PolarHBondContact N-O 2.84Å; N196-H212 PolarHBondContact OD1-N 2.85Å
197	E	90.1	Very high	94	Very high	82 Å²	82	50.3 Å²	50.3	38%	0.383	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	-19.5	178	-43.7	-163.9	119.1	0	0	115.7	Y116 P118 R194 L195 R214	Y116-E197 HydrophobicContact CE1-CG 4.44Å; Y116-E197 WeakPolarHBondContact CE1-OE2 3.15Å; P118-E197 HydrophobicContact CB-CG 4.46Å; P118-E197 HydrophobicContact CG-CG 4.29Å; R194-E197 WeakPolarHBondContact CD-O 3.38Å; R194-E197 PolarHBondContact NH1-O 2.89Å; L195-E197 VanDerWaalsContact C-N 3.31Å; L195-E197 PolarHBondContact O-N 3Å; E197-R214 IonicContact OE1-NH2 3.11Å
198	S	92.9	Very high	94	Very high	74 Å²	74	56 Å²	56	52%	0.517	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	138.3	168.5	-57.8	0	0	0	0	111.8	R194 L195 N196	R194-S198 CarbonylContact C-O 3.42Å; R194-S198 WeakPolarHBondContact CA-O 3.41Å; R194-S198 VanDerWaalsContact CB-O 3.25Å; R194-S198 WeakPolarHBondContact CB-O 3.47Å; L195-S198 PolarHBondContact N-O 2.75Å; L195-S198 PolarHBondContact O-N 3.37Å; N196-S198 PolarHBondContact O-N 3.49Å
199	P	94.7	Very high	93.8	Very high	69 Å²	69	60.4 Å²	60.4	45%	0.448	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	147.9	162.3	-24.5	35.7	0	0	0	111.6
200	V	94	Very high	93.5	Very high	12 Å²	12	56.9 Å²	56.9	7%	0.073	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-96.2	143	168.5	-58.4	0	0	0	0	109.3	L168 T188 I193 L195 V205	L168-V200 HydrophobicContact CD1-CG1 4.14Å; L168-V200 HydrophobicContact CD1-CG2 4.05Å; T188-V200 HydrophobicContact CG2-CG2 3.79Å; T188-V200 VanDerWaalsContact CG2-O 3.29Å; T188-V200 WeakPolarHBondContact CG2-O 3.41Å; I193-V200 HydrophobicContact CB-CG2 4.06Å; I193-V200 HydrophobicContact CG2-CG2 3.88Å; I193-V200 PolarHBondContact O-N 3.2Å; L195-V200 HydrophobicContact CB-CG1 3.46Å; L195-V200 VanDerWaalsContact CB-CG1 3.46Å; V200-V205 HydrophobicContact CB-CG1 4.34Å; V200-V205 HydrophobicContact CG1-CG1 4.17Å
201	D	90.5	Very high	93.5	Very high	152 Å²	152	53 Å²	53	81%	0.813	29%	0.287	S	S	*	.	S	Bend	trans	-78.6	-36.2	-179.9	-53.6	-64.3	0	0	0	111.7	T188	T188-D201 WeakPolarHBondContact CG2-O 3.29Å
202	D	93	Very high	93.5	Very high	79 Å²	79	53.1 Å²	53.1	42%	0.422	28%	0.283	S	S	.	.			trans	-152.5	171.1	179.1	72.1	71.3	0	0	0	112.6	S204	D202-S204 WeakPolarHBondContact OD1-CA 3.42Å; D202-S204 WeakPolarHBondContact OD1-CB 3.46Å; D202-S204 PolarHBondContact OD1-N 2.93Å; D202-S204 PolarHBondContact OD1-OG 2.95Å
203	L	94.4	Very high	93.4	Very high	10 Å²	10	52.5 Å²	52.5	5%	0.052	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.1	-176.5	-62.7	-178.2	0	0	0	114.9	L168 L169 F172 E185 T188 I193 V205	L168-L203 HydrophobicContact CB-CD2 4.24Å; L168-L203 WeakPolarHBondContact CB-O 3.46Å; L168-L203 PolarHBondContact N-O 2.83Å; L169-L203 HydrophobicContact CB-CB 3.9Å; L169-L203 HydrophobicContact CD1-CB 4.45Å; L169-L203 HydrophobicContact CD1-CD1 4.05Å; L169-L203 PolarHBondContact N-O 2.9Å; F172-L203 HydrophobicContact CD2-CD1 4.48Å; F172-L203 HydrophobicContact CD2-CD2 3.83Å; F172-L203 HydrophobicContact CE2-CD2 3.6Å; E185-L203 HydrophobicContact CG-CD1 3.76Å; T188-L203 VanDerWaalsContact OG1-CD2 3.26Å; T188-L203 WeakPolarHBondContact OG1-CD2 3.42Å; I193-L203 HydrophobicContact CD1-CD2 4.23Å; L203-V205 PolarHBondContact O-N 2.8Å
204	S	95.2	Very high	93.4	Very high	77 Å²	77	54.9 Å²	54.9	54%	0.538	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.4	177.2	79.4	0	0	0	0	112.9	S167 D202 V206	S167-S204 WeakPolarHBondContact CB-O 3.46Å; D202-S204 WeakPolarHBondContact OD1-CA 3.42Å; D202-S204 WeakPolarHBondContact OD1-CB 3.46Å; D202-S204 PolarHBondContact OD1-N 2.93Å; D202-S204 PolarHBondContact OD1-OG 2.95Å; S204-V206 PolarHBondContact O-N 3.12Å; S204-V206 VanDerWaalsContact O-N 3.1Å
205	V	93.8	Very high	93.3	Very high	29 Å²	29	51.4 Å²	51.4	18%	0.176	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-52.2	117.7	-178.6	64	0	0	0	0	112	S167 L168 L195 V200 L203	S167-V205 WeakPolarHBondContact CA-O 3.47Å; L168-V205 HydrophobicContact CB-CG1 4.23Å; L168-V205 HydrophobicContact CD1-CG1 3.45Å; L168-V205 VanDerWaalsContact CD1-CG1 3.45Å; L168-V205 HydrophobicContact CG-CG1 3.76Å; L168-V205 PolarHBondContact N-O 3.43Å; L168-V205 VanDerWaalsContact N-O 3.11Å; L195-V205 HydrophobicContact CD2-CG2 3.97Å; V200-V205 HydrophobicContact CB-CG1 4.34Å; V200-V205 HydrophobicContact CG1-CG1 4.17Å; L203-V205 PolarHBondContact O-N 2.8Å
206	V	95.6	Very high	93.3	Very high	72 Å²	72	52.2 Å²	52.2	44%	0.436	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-75.2	130.2	179.4	179.8	0	0	0	0	110.4	R115 K166 S204	R115-V206 PolarHBondContact NH1-O 3.34Å; K166-V206 WeakPolarHBondContact O-CA 3.42Å; S204-V206 PolarHBondContact O-N 3.12Å; S204-V206 VanDerWaalsContact O-N 3.1Å
207	L	94.6	Very high	93.3	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-78.7	136	178.9	-67.2	174	0	0	0	111.8	W163 G165 K166 L168 V171 L195	W163-L207 HydrophobicContact CB-CD1 3.9Å; W163-L207 HydrophobicContact CE3-CD1 4.33Å; G165-L207 PolarHBondContact N-O 3.04Å; K166-L207 PolarHBondContact O-N 2.77Å; L168-L207 HydrophobicContact CD2-CD1 4.19Å; L168-L207 HydrophobicContact CD2-CD2 3.86Å; L168-L207 HydrophobicContact CD2-CG 4.29Å; L168-L207 HydrophobicContact CG-CD2 4.21Å; V171-L207 HydrophobicContact CB-CD1 4.38Å; V171-L207 HydrophobicContact CG2-CD1 3.79Å; L195-L207 HydrophobicContact CD1-CD2 3.6Å; L195-L207 HydrophobicContact CD2-CD2 4.27Å
208	R	93.6	Very high	93.5	Very high	118 Å²	118	49.1 Å²	49.1	45%	0.445	27%	0.27	S	S	.	.			trans	-111.3	162.8	178	-58.3	179	-179.8	-177	-1.1	110.7	G113 C159 N210 D211	G113-R208 PolarHBondContact O-NH1 3.37Å; C159-R208 WeakPolarHBondContact CB-O 3.28Å; C159-R208 PolarHBondContact SG-O 2.96Å; C159-R208 VanDerWaalsContact SG-O 3.36Å; R208-N210 PolarHBondContact O-N 3.43Å; R208-D211 WeakPolarHBondContact CB-OD2 3.42Å; R208-D211 PolarHBondContact N-OD2 2.87Å; R208-D211 WeakPolarHBondContact O-CB 3.31Å; R208-D211 PolarHBondContact O-N 2.69Å; R208-D211 VanDerWaalsContact O-N 3.1Å
209	N	91	Very high	93.4	Very high	100 Å²	100	47 Å²	47	54%	0.535	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	136.9	175.3	-169.9	22.3	0	0	0	111.3	I164 D211	I164-N209 HydrophobicContact CD1-CB 3.81Å; I164-N209 HydrophobicContact CG1-CB 4.44Å; N209-D211 PolarHBondContact O-N 3.45Å
210	N	88.8	Confident	93.3	Very high	91 Å²	91	46.7 Å²	46.7	49%	0.487	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-0.8	-174.2	-49.7	-66.3	0	0	0	117.3	V117 R208 H212	V117-N210 HydrophobicContact CG1-CB 4.17Å; V117-N210 WeakPolarHBondContact CG1-O 3.42Å; R208-N210 PolarHBondContact O-N 3.43Å; N210-H212 PolarHBondContact O-N 3.23Å
211	D	93.5	Very high	93.3	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.011	24%	0.242	C	C	.	.			trans	-53.1	131.8	176.2	-87.2	-17.8	0	0	0	110.5	R115 Y158 C159 L195 N196 R208 N209	R115-D211 IonicContact NH1-OD2 2.94Å; R115-D211 PolarHBondContact NH1-OD2 3.22Å; Y158-D211 CarbonylContact C-O 3.35Å; C159-D211 HydrophobicContact CB-CB 4.11Å; C159-D211 VanDerWaalsContact CB-O 3.29Å; C159-D211 WeakPolarHBondContact CB-O 3.48Å; C159-D211 PolarHBondContact N-O 2.66Å; L195-D211 HydrophobicContact CD1-CB 3.9Å; L195-D211 HydrophobicContact CG-CB 4.35Å; N196-D211 PolarHBondContact ND2-OD1 3.4Å; R208-D211 WeakPolarHBondContact CB-OD2 3.42Å; R208-D211 PolarHBondContact N-OD2 2.87Å; R208-D211 WeakPolarHBondContact O-CB 3.31Å; R208-D211 PolarHBondContact O-N 2.69Å; R208-D211 VanDerWaalsContact O-N 3.1Å; N209-D211 PolarHBondContact O-N 3.45Å
212	H	93.6	Very high	93.4	Very high	16 Å²	16	39.9 Å²	39.9	7%	0.074	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	107.4	-176.6	179.7	-88.4	0	0	0	111.1	P118 Y158 N196 N210	P118-H212 HydrophobicContact CG-CB 3.53Å; Y158-H212 HydrophobicContact CD1-CB 4.12Å; Y158-H212 AromaticContact CD1-CD2 3.98Å; Y158-H212 AromaticContact CD2-CD2 3.94Å; Y158-H212 HydrophobicContact CE1-CB 3.99Å; Y158-H212 AromaticContact CE1-CD2 3.7Å; Y158-H212 AromaticContact CE2-CD2 3.63Å; Y158-H212 AromaticContact CZ-CD2 3.48Å; Y158-H212 VanDerWaalsContact CZ-CD2 3.48Å; N196-H212 PolarHBondContact N-O 2.84Å; N196-H212 PolarHBondContact OD1-N 2.85Å; N210-H212 PolarHBondContact O-N 3.23Å
213	M	93.6	Very high	93.4	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.049	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	138.6	178.1	-173.9	177	67.8	0	0	111.3	K156 T157 L168 F172 F176 R194 L195	K156-M213 WeakPolarHBondContact CA-O 2.96Å; T157-M213 HydrophobicContact CG2-CB 4.27Å; T157-M213 HydrophobicContact CG2-CE 3.59Å; T157-M213 PolarHBondContact N-O 3.24Å; T157-M213 PolarHBondContact O-N 3.37Å; L168-M213 HydrophobicContact CD2-CG 4.42Å; L168-M213 HydrophobicContact CD2-SD 3.5Å; L168-M213 WeakPolarHBondContact CD2-SD 2.97Å; F172-M213 HydrophobicContact CE1-CE 4.14Å; F172-M213 HydrophobicContact CE1-SD 3.74Å; F172-M213 HydrophobicContact CZ-SD 3.82Å; F176-M213 HydrophobicContact CE2-CE 3.79Å; F176-M213 HydrophobicContact CZ-CE 3.82Å; R194-M213 WeakPolarHBondContact O-CA 3.44Å; L195-M213 HydrophobicContact CD1-CB 4.44Å
214	R	95.3	Very high	93.5	Very high	50 Å²	50	36.7 Å²	36.7	19%	0.189	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.4	167.9	-178.8	-168.3	-57.6	-150.9	18.7	108.9	D154 F155 K156 I193 R194 E197	D154-R214 HydrophobicContact CB-CG 4.02Å; D154-R214 WeakPolarHBondContact OD2-CD 3.46Å; D154-R214 IonicContact OD2-CZ 3.67Å; D154-R214 IonicContact OD2-NE 3.64Å; D154-R214 IonicContact OD2-NH1 3.98Å; D154-R214 PolarHBondContact OD2-NH1 2.77Å; F155-R214 CarbonylContact O-C 3.59Å; F155-R214 VanDerWaalsContact O-CA 3.29Å; F155-R214 WeakPolarHBondContact O-CA 3.39Å; K156-R214 HydrophobicContact CG-CB 4.43Å; K156-R214 HydrophobicContact CG-CG 4.11Å; I193-R214 WeakPolarHBondContact CA-O 3.33Å; R194-R214 HydrophobicContact CB-CB 4.3Å; R194-R214 PolarHBondContact N-O 2.67Å; R194-R214 PolarHBondContact O-N 3.26Å; E197-R214 IonicContact OE1-NH2 3.11Å
215	N	94.4	Very high	93.5	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.064	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	115.2	169.8	177.8	24.7	0	0	0	108.9	F155 V217	F155-N215 HydrophobicContact CB-CB 4.48Å; F155-N215 PolarHBondContact N-O 3.18Å; F155-N215 PolarHBondContact O-N 3.01Å; N215-V217 WeakPolarHBondContact ND2-CG1 3.21Å
216	T	94.8	Very high	93.5	Very high	28 Å²	28	33.3 Å²	33.3	17%	0.172	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	111.7	179.1	-52.3	0	0	0	0	110.1	Y152 F153 D154 R192	Y152-T216 HydrophobicContact CD1-CG2 4.25Å; F153-T216 WeakPolarHBondContact O-CA 3.38Å; D154-T216 PolarHBondContact OD1-OG1 3.31Å; R192-T216 PolarHBondContact O-N 2.93Å; R192-T216 PolarHBondContact O-OG1 3.25Å
217	V	92.6	Very high	93.3	Very high	14 Å²	14	32.2 Å²	32.2	9%	0.085	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	156.2	-178.8	-60.3	0	0	0	0	111.2	Y152 F153 F155 N215 R219	Y152-V217 CarbonylContact C-O 3.54Å; Y152-V217 WeakPolarHBondContact CA-O 3.41Å; F153-V217 HydrophobicContact CB-CG2 4.42Å; F153-V217 PolarHBondContact N-O 2.93Å; F153-V217 PolarHBondContact O-N 3Å; F155-V217 HydrophobicContact CD2-CG1 4.2Å; F155-V217 HydrophobicContact CD2-CG2 3.74Å; F155-V217 HydrophobicContact CE2-CG1 4.41Å; F155-V217 HydrophobicContact CE2-CG2 3.56Å; N215-V217 WeakPolarHBondContact ND2-CG1 3.21Å; V217-R219 HydrophobicContact CG2-CG 3.87Å
218	H	93.9	Very high	93.2	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.056	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.3	168.7	-170.7	-110.8	0	0	0	109.3	P150 Y152 H220 S491 D493 C496 C499	P150-H218 WeakPolarHBondContact CB-CE1 3.25Å; Y152-H218 HydrophobicContact CD1-CB 4.29Å; Y152-H218 AromaticContact CD2-CD2 3.85Å; Y152-H218 HydrophobicContact CE1-CB 4.01Å; Y152-H218 AromaticContact CE2-CD2 3.6Å; Y152-H218 AromaticContact CZ-CD2 3.75Å; H218-H220 AromaticContact ND1-CD2 3.87Å; H218-S491 PolarHBondContact CE1-O 2.74Å; H218-S491 PolarHBondContact NE2-O 2.7Å; H218-S491 VanDerWaalsContact NE2-O 3.09Å; H218-D493 HydrophobicContact CB-CB 3.75Å; H218-C496 HydrophobicContact CB-CB 4.04Å; H218-C499 PolarHBondContact CE1-SG 3.01Å; H218-C499 PolarHBondContact ND1-SG 2.95Å
219	R	91.6	Very high	93.2	Very high	31 Å²	31	32.5 Å²	32.5	12%	0.117	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141	-171.4	-72.2	-171	65.7	124.2	0.8	112.9	P150 Y151 F153 V217 G253 R254	P150-R219 WeakPolarHBondContact CA-O 3.46Å; Y151-R219 HydrophobicContact CE1-CB 4.25Å; Y151-R219 HydrophobicContact CE2-CB 4.26Å; Y151-R219 PolarHBondContact N-O 3.15Å; Y151-R219 PolarHBondContact O-N 3.37Å; F153-R219 VanDerWaalsContact CB-CD 3.43Å; F153-R219 HydrophobicContact CB-CG 3.9Å; V217-R219 HydrophobicContact CG2-CG 3.87Å; R219-G253 PolarHBondContact NH2-O 3.05Å; R219-R254 PolarHBondContact NH2-O 3.46Å
220	H	91.9	Very high	93.4	Very high	62 Å²	62	33.4 Å²	33.4	29%	0.287	18%	0.184	S	C	.	.			trans	-122	116.2	168.2	-67.2	-117.6	0	0	0	108.9	H218 R254 E498 C499	H218-H220 AromaticContact ND1-CD2 3.87Å; H220-R254 PolarHBondContact O-NH2 2.93Å; H220-R254 VanDerWaalsContact O-NH2 3.07Å; H220-E498 HydrophobicContact CB-CB 4.1Å; H220-E498 HydrophobicContact CB-CG 4.43Å; H220-C499 PolarHBondContact NE2-SG 3.36Å; H220-C499 VanDerWaalsContact NE2-SG 3.39Å
221	E	93.4	Very high	93.8	Very high	13 Å²	13	31.7 Å²	31.7	6%	0.061	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-84.6	136.9	171.4	-51.8	-158.5	-170.9	0	0	109.4	V148 Y151 R254 R256 H257 N258	V148-E221 HydrophobicContact CB-CB 4.42Å; Y151-E221 HydrophobicContact CE1-CG 4.05Å; Y151-E221 WeakPolarHBondContact CE1-OE1 3.36Å; Y151-E221 PolarHBondContact OH-OE1 2.98Å; E221-R254 WeakPolarHBondContact CG-O 3.42Å; E221-R256 VanDerWaalsContact CD-N 3.27Å; E221-R256 WeakPolarHBondContact OE1-CB 3.33Å; E221-R256 PolarHBondContact OE1-N 3Å; E221-R256 PolarHBondContact OE2-N 3.29Å; E221-H257 VanDerWaalsContact CD-N 3.32Å; E221-H257 IonicContact OE1-CD2 3.56Å; E221-H257 PolarHBondContact OE1-CD2 3.38Å; E221-H257 IonicContact OE1-CG 3.52Å; E221-H257 PolarHBondContact OE1-N 3.45Å; E221-H257 PolarHBondContact OE2-N 2.95Å; E221-N258 PolarHBondContact OE2-N 3.03Å
222	P	92.4	Very high	94	Very high	7 Å²	7	34.1 Å²	34.1	5%	0.045	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-58.3	146.5	172.3	-22.9	33.1	0	0	0	111.1	R254 F255 N258	P222-R254 HydrophobicContact CG-CB 4.09Å; P222-F255 HydrophobicContact CB-CE1 3.81Å; P222-F255 HydrophobicContact CB-CZ 3.74Å; P222-F255 HydrophobicContact CG-CE1 3.96Å; P222-F255 HydrophobicContact CG-CE2 4.23Å; P222-F255 HydrophobicContact CG-CZ 3.65Å; P222-N258 PolarHBondContact O-ND2 3.06Å; P222-N258 VanDerWaalsContact O-ND2 3.14Å
223	P	93.9	Very high	94.2	Very high	23 Å²	23	35.4 Å²	35.4	15%	0.149	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-61.8	154.4	171.1	28.7	-35.1	0	0	0	110.6	L145 K147 P506	L145-P223 HydrophobicContact CB-CB 4.23Å; L145-P223 HydrophobicContact CD1-CB 4.04Å; L145-P223 HydrophobicContact CD1-CG 4.36Å; K147-P223 HydrophobicContact CG-CB 4.21Å; P223-P506 HydrophobicContact CG-CG 3.69Å
224	V	95.6	Very high	94.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	163.5	177.9	-60.4	0	0	0	0	109	L145 R146 G226 S246 I247 F255 N258	L145-V224 CarbonylContact C-O 3.57Å; L145-V224 WeakPolarHBondContact CA-O 3.32Å; R146-V224 HydrophobicContact CB-CG2 3.83Å; R146-V224 HydrophobicContact CG-CG2 4.24Å; R146-V224 PolarHBondContact N-O 3.19Å; R146-V224 PolarHBondContact O-N 2.86Å; V224-G226 PolarHBondContact O-N 2.82Å; V224-S246 WeakPolarHBondContact CB-OG 3.24Å; V224-I247 HydrophobicContact CB-CG2 3.63Å; V224-I247 HydrophobicContact CG1-CG2 3.95Å; V224-I247 HydrophobicContact CG2-CG2 3.59Å; V224-F255 HydrophobicContact CG1-CD1 4.19Å; V224-F255 HydrophobicContact CG1-CE1 3.7Å; V224-N258 HydrophobicContact CG1-CB 3.96Å; V224-N258 HydrophobicContact CG2-CB 4.03Å
225	I	95	Very high	94.1	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.082	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	132	177.9	-61.7	166.1	0	0	0	109.3	A227 A245 S246 L511 I512	I225-A227 HydrophobicContact CG2-CB 3.85Å; I225-A227 PolarHBondContact O-N 3.26Å; I225-A245 HydrophobicContact CD1-CB 3.96Å; I225-S246 PolarHBondContact N-OG 2.94Å; I225-L511 HydrophobicContact CD1-CB 3.87Å; I225-L511 HydrophobicContact CG1-CB 3.74Å; I225-L511 HydrophobicContact CG1-CD1 3.92Å; I225-I512 HydrophobicContact CD1-CD1 4.12Å; I225-I512 HydrophobicContact CD1-CG1 3.51Å
226	G	94.4	Very high	94	Very high	19 Å²	19	41.7 Å²	41.7	20%	0.196	24%	0.244	C	C	.	.			trans	-77	4	-176.6	0	0	0	0	0	115.4	F141 G144 V224	F141-G226 WeakPolarHBondContact CE1-O 3.39Å; G144-G226 VanDerWaalsContact O-CA 3.28Å; G144-G226 WeakPolarHBondContact O-CA 3.46Å; G144-G226 PolarHBondContact O-N 3.38Å; V224-G226 PolarHBondContact O-N 2.82Å
227	A	91.4	Very high	93.8	Very high	49 Å²	49	45.5 Å²	45.5	41%	0.405	26%	0.26	S	S	.	.			trans	-60.1	136	179.2	0	0	0	0	0	111.4	I225 P244	I225-A227 HydrophobicContact CG2-CB 3.85Å; I225-A227 PolarHBondContact O-N 3.26Å; A227-P244 HydrophobicContact CB-CB 4.3Å
228	P	91.5	Very high	94	Very high	117 Å²	117	45 Å²	45	76%	0.76	26%	0.256	S	S	*	.			trans	-66.6	139.3	-179	27.8	-34.8	0	0	0	111.2	K230	P228-K230 PolarHBondContact O-N 3.18Å
229	L	94.4	Very high	94.1	Very high	11 Å²	11	44.4 Å²	44.4	6%	0.058	25%	0.254	C	S	.	.			trans	-73.2	110.4	174.8	-179.1	70.4	0	0	0	109.8	V241 I247 V260 I263 L264	L229-V241 HydrophobicContact CD1-CB 4.15Å; L229-V241 HydrophobicContact CD1-CG2 4.11Å; L229-V241 HydrophobicContact CG-CB 4.45Å; L229-I247 HydrophobicContact CD1-CD1 4.39Å; L229-V260 HydrophobicContact CD1-CG1 4.27Å; L229-V260 HydrophobicContact CD2-CG1 3.8Å; L229-I263 HydrophobicContact CB-CG2 4.16Å; L229-I263 HydrophobicContact CD2-CB 4.48Å; L229-I263 HydrophobicContact CD2-CG2 4.06Å; L229-L264 HydrophobicContact CD2-CD1 4.12Å; L229-L264 HydrophobicContact CD2-CD2 3.57Å; L229-L264 HydrophobicContact CD2-CG 3.48Å; L229-L264 VanDerWaalsContact CD2-CG 3.48Å
230	K	96.1	Very high	94.4	Very high	119 Å²	119	42.9 Å²	42.9	52%	0.517	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.5	-176.9	-177.5	-177.3	-180	-175.6	0	111.1	P228 L232 V241 D242	P228-K230 PolarHBondContact O-N 3.18Å; K230-L232 HydrophobicContact CD-CD2 4.04Å; K230-L232 HydrophobicContact CG-CD2 4.23Å; K230-V241 CarbonylContact O-C 3.58Å; K230-V241 VanDerWaalsContact O-CA 3.3Å; K230-V241 WeakPolarHBondContact O-CA 3.44Å; K230-D242 HydrophobicContact CB-CB 4.25Å; K230-D242 PolarHBondContact O-N 2.96Å
231	I	97.3	Very high	94.7	Very high	54 Å²	54	40 Å²	40	28%	0.277	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	127.5	166.5	-60.4	173.2	0	0	0	108.2	D234 L239 V241 L264 H268	I231-D234 HydrophobicContact CG2-CB 4.36Å; I231-L239 HydrophobicContact CD1-CD1 4.23Å; I231-L239 HydrophobicContact CG1-CD1 4.25Å; I231-L239 HydrophobicContact CG2-CD1 3.68Å; I231-V241 HydrophobicContact CG1-CG1 4.25Å; I231-L264 HydrophobicContact CD1-CD2 4.25Å; I231-L264 HydrophobicContact CG1-CD2 4.2Å; I231-H268 HydrophobicContact CD1-CB 4.35Å
232	L	97.3	Very high	94.9	Very high	53 Å²	53	41.1 Å²	41.1	28%	0.277	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-39.9	175.5	-59.3	179	0	0	0	111.1	K230 V240 D242 T529	K230-L232 HydrophobicContact CD-CD2 4.04Å; K230-L232 HydrophobicContact CG-CD2 4.23Å; L232-V240 HydrophobicContact CB-CB 4.38Å; L232-V240 HydrophobicContact CB-CG1 4.42Å; L232-V240 HydrophobicContact CD1-CG1 4.25Å; L232-V240 PolarHBondContact N-O 2.79Å; L232-D242 HydrophobicContact CD1-CB 4.18Å; L232-D242 HydrophobicContact CD2-CB 4.18Å; L232-D242 HydrophobicContact CG-CB 4.22Å; L232-T529 HydrophobicContact CD1-CG2 3.92Å
233	V	96.8	Very high	95.1	Very high	43 Å²	43	40.8 Å²	40.8	26%	0.261	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	134.5	179.7	180	0	0	0	0	108.9	D235 L239 V240 Y527	V233-D235 HydrophobicContact CG1-CB 4.2Å; V233-L239 CarbonylContact O-C 3.55Å; V233-L239 WeakPolarHBondContact O-CA 3.38Å; V233-L239 WeakPolarHBondContact O-CD1 3.28Å; V233-V240 HydrophobicContact CB-CB 4.13Å; V233-V240 HydrophobicContact CB-CG2 4.05Å; V233-V240 HydrophobicContact CG2-CG2 4.49Å; V233-V240 PolarHBondContact N-O 3.32Å; V233-V240 PolarHBondContact O-N 3.43Å; V233-Y527 HydrophobicContact CB-CE1 4.48Å; V233-Y527 HydrophobicContact CG2-CD1 3.99Å; V233-Y527 HydrophobicContact CG2-CE1 3.88Å
234	D	95.3	Very high	95.2	Very high	70 Å²	70	40.7 Å²	40.7	37%	0.374	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	99.6	157.8	-168.7	3.7	0	0	0	106.7	I231 L239 R291	I231-D234 HydrophobicContact CG2-CB 4.36Å; D234-L239 HydrophobicContact CB-CD1 3.64Å; D234-R291 IonicContact OD1-CZ 3.62Å; D234-R291 IonicContact OD1-NE 2.77Å; D234-R291 PolarHBondContact OD1-NE 2.77Å; D234-R291 IonicContact OD1-NH2 3.32Å; D234-R291 IonicContact OD2-CZ 3.07Å; D234-R291 IonicContact OD2-NE 3.66Å; D234-R291 IonicContact OD2-NH2 3.97Å; D234-R291 PolarHBondContact OD2-NH2 3.01Å
235	D	93	Very high	95.2	Very high	90 Å²	90	41 Å²	41	48%	0.481	24%	0.241	S	C	.	.			trans	-100.1	0.1	-176.9	62.1	26	0	0	0	113	V233 E237 V238	V233-D235 HydrophobicContact CG1-CB 4.2Å; D235-E237 WeakPolarHBondContact OD1-CA 3.38Å; D235-E237 PolarHBondContact OD1-N 2.83Å; D235-V238 PolarHBondContact N-O 3.17Å; D235-V238 PolarHBondContact OD1-N 3.42Å
236	G	90.5	Very high	95.2	Very high	45 Å²	45	40.2 Å²	40.2	46%	0.464	24%	0.237	S	C	.	.	S	Bend	trans	91.1	-16.8	-176	0	0	0	0	0	115	R291	G236-R291 WeakPolarHBondContact O-CB 3.3Å
237	E	92.6	Very high	95.2	Very high	108 Å²	108	39.5 Å²	39.5	51%	0.505	23%	0.229	S	C	.	.	S	Bend	trans	-105.5	-38	171.3	-62.5	-152.6	104.3	0	0	112.3	D235 R291 M295	D235-E237 WeakPolarHBondContact OD1-CA 3.38Å; D235-E237 PolarHBondContact OD1-N 2.83Å; E237-R291 WeakPolarHBondContact O-CB 3.47Å; E237-R291 PolarHBondContact O-N 3.14Å; E237-M295 HydrophobicContact CB-CB 4.47Å; E237-M295 HydrophobicContact CB-CG 4.23Å
238	V	95.1	Very high	95.4	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.8	-179.6	-173.5	0	0	0	0	109.6	D235 V240 L288 F289 M295 L299 Y527	D235-V238 PolarHBondContact N-O 3.17Å; D235-V238 PolarHBondContact OD1-N 3.42Å; V238-V240 HydrophobicContact CG1-CG2 3.7Å; V238-L288 HydrophobicContact CG1-CD2 4.48Å; V238-F289 WeakPolarHBondContact CA-O 2.91Å; V238-M295 HydrophobicContact CG2-CE 3.28Å; V238-M295 HydrophobicContact CG2-CG 3.75Å; V238-M295 HydrophobicContact CG2-SD 4.37Å; V238-L299 HydrophobicContact CG2-CD1 4.26Å; V238-Y527 HydrophobicContact CG1-CE2 4.49Å
239	L	96.9	Very high	95.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.4	164	174.1	80.1	0	0	0	108.3	I231 V233 D234 V241 L264 V270 L273 F289 R291	I231-L239 HydrophobicContact CD1-CD1 4.23Å; I231-L239 HydrophobicContact CG1-CD1 4.25Å; I231-L239 HydrophobicContact CG2-CD1 3.68Å; V233-L239 CarbonylContact O-C 3.55Å; V233-L239 WeakPolarHBondContact O-CA 3.38Å; V233-L239 WeakPolarHBondContact O-CD1 3.28Å; D234-L239 HydrophobicContact CB-CD1 3.64Å; L239-V241 HydrophobicContact CD2-CG1 4.43Å; L239-V241 HydrophobicContact CG-CG1 4.23Å; L239-L264 HydrophobicContact CD2-CD1 3.75Å; L239-L264 HydrophobicContact CD2-CD2 4.25Å; L239-V270 HydrophobicContact CD2-CG1 3.71Å; L239-L273 HydrophobicContact CB-CD2 4.39Å; L239-L273 HydrophobicContact CD2-CD1 3.89Å; L239-L273 HydrophobicContact CD2-CD2 3.78Å; L239-F289 HydrophobicContact CB-CB 4.39Å; L239-F289 HydrophobicContact CD2-CD2 4.23Å; L239-F289 PolarHBondContact N-O 3.24Å; L239-F289 PolarHBondContact O-N 3.12Å; L239-R291 HydrophobicContact CB-CG 4.47Å
240	V	97.6	Very high	95.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.9	176.8	-167.3	0	0	0	0	108.6	L232 V233 V238 V286 L287 L288 Y527	L232-V240 HydrophobicContact CB-CB 4.38Å; L232-V240 HydrophobicContact CB-CG1 4.42Å; L232-V240 HydrophobicContact CD1-CG1 4.25Å; L232-V240 PolarHBondContact N-O 2.79Å; V233-V240 HydrophobicContact CB-CB 4.13Å; V233-V240 HydrophobicContact CB-CG2 4.05Å; V233-V240 HydrophobicContact CG2-CG2 4.49Å; V233-V240 PolarHBondContact N-O 3.32Å; V233-V240 PolarHBondContact O-N 3.43Å; V238-V240 HydrophobicContact CG1-CG2 3.7Å; V240-V286 HydrophobicContact CG1-CG1 3.89Å; V240-L287 WeakPolarHBondContact CA-O 3.29Å; V240-L288 HydrophobicContact CG1-CG 4.43Å; V240-L288 HydrophobicContact CG2-CG 4.22Å; V240-Y527 HydrophobicContact CG1-CD2 4.42Å; V240-Y527 HydrophobicContact CG1-CG 4.21Å; V240-Y527 HydrophobicContact CG2-CD1 4.09Å; V240-Y527 HydrophobicContact CG2-CD2 3.72Å; V240-Y527 HydrophobicContact CG2-CE1 4.09Å; V240-Y527 HydrophobicContact CG2-CE2 3.71Å; V240-Y527 HydrophobicContact CG2-CG 3.91Å
241	V	97.8	Very high	95.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.5	177.4	-56.4	0	0	0	0	111.2	L229 K230 I231 L239 V260 L264 L287 F289	L229-V241 HydrophobicContact CD1-CB 4.15Å; L229-V241 HydrophobicContact CD1-CG2 4.11Å; L229-V241 HydrophobicContact CG-CB 4.45Å; K230-V241 CarbonylContact O-C 3.58Å; K230-V241 VanDerWaalsContact O-CA 3.3Å; K230-V241 WeakPolarHBondContact O-CA 3.44Å; I231-V241 HydrophobicContact CG1-CG1 4.25Å; L239-V241 HydrophobicContact CD2-CG1 4.43Å; L239-V241 HydrophobicContact CG-CG1 4.23Å; V241-V260 HydrophobicContact CG2-CG1 4.17Å; V241-L264 HydrophobicContact CG1-CD1 4.21Å; V241-L264 HydrophobicContact CG1-CD2 4.14Å; V241-L287 HydrophobicContact CG2-CB 3.89Å; V241-L287 HydrophobicContact CG2-CD2 4.13Å; V241-L287 HydrophobicContact CG2-CG 4.28Å; V241-L287 PolarHBondContact N-O 2.99Å; V241-L287 PolarHBondContact O-N 3.25Å; V241-F289 HydrophobicContact CG2-CE2 4.02Å
242	D	97.8	Very high	94.8	Very high	38 Å²	38	29.8 Å²	29.8	20%	0.203	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	103.8	162	-170.8	-5.6	0	0	0	107.5	K230 L232 P244 G285 H516 T529	K230-D242 HydrophobicContact CB-CB 4.25Å; K230-D242 PolarHBondContact O-N 2.96Å; L232-D242 HydrophobicContact CD1-CB 4.18Å; L232-D242 HydrophobicContact CD2-CB 4.18Å; L232-D242 HydrophobicContact CG-CB 4.22Å; D242-P244 WeakPolarHBondContact O-CD 3.16Å; D242-G285 WeakPolarHBondContact OD1-CA 3.06Å; D242-H516 IonicContact OD1-CE1 3.63Å; D242-T529 HydrophobicContact CB-CG2 3.8Å; D242-T529 WeakPolarHBondContact OD1-CG2 3.43Å; D242-T529 WeakPolarHBondContact OD2-CG2 3.35Å
243	K	97.2	Very high	94.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	120	-178.6	-162.5	-168	73.2	69.8	0	109	I247 V249 V260 L279 R281 T283 S284 G285 L287	K243-I247 HydrophobicContact CD-CG1 4.24Å; K243-I247 HydrophobicContact CG-CD1 4.1Å; K243-I247 HydrophobicContact CG-CG1 3.93Å; K243-I247 PolarHBondContact NZ-O 3.06Å; K243-V249 HydrophobicContact CD-CG2 4.3Å; K243-V260 HydrophobicContact CD-CG2 3.66Å; K243-V260 HydrophobicContact CG-CG2 3.61Å; K243-L279 HydrophobicContact CB-CD1 4.43Å; K243-R281 PolarHBondContact NZ-O 2.84Å; K243-T283 WeakPolarHBondContact CE-O 3.4Å; K243-T283 PolarHBondContact NZ-O 2.95Å; K243-S284 CarbonylContact O-C 3.45Å; K243-S284 WeakPolarHBondContact O-CA 3.36Å; K243-S284 VanDerWaalsContact O-CB 3.29Å; K243-S284 WeakPolarHBondContact O-CB 3.27Å; K243-G285 WeakPolarHBondContact CB-O 3.36Å; K243-G285 PolarHBondContact N-O 2.87Å; K243-G285 PolarHBondContact O-N 2.86Å; K243-L287 HydrophobicContact CB-CB 4.45Å; K243-L287 HydrophobicContact CB-CD2 4.45Å; K243-L287 HydrophobicContact CD-CD2 4.13Å; K243-L287 HydrophobicContact CG-CD2 4.44Å
244	P	95.8	Very high	93.9	Very high	20 Å²	20	30.4 Å²	30.4	13%	0.13	19%	0.187	C	C	.	.			trans	-61.6	162.1	166.4	26.8	-33.7	0	0	0	110.5	A227 D242 I247	A227-P244 HydrophobicContact CB-CB 4.3Å; D242-P244 WeakPolarHBondContact O-CD 3.16Å; P244-I247 HydrophobicContact CG-CD1 3.68Å; P244-I247 HydrophobicContact CG-CG1 4.12Å
245	A	94.6	Very high	93.8	Very high	7 Å²	7	27.2 Å²	27.2	6%	0.058	17%	0.17	C	C	.	.	S	Bend	trans	-63.3	-178	170.5	0	0	0	0	0	111	I225 I247 L282 L511 I512	I225-A245 HydrophobicContact CD1-CB 3.96Å; A245-I247 PolarHBondContact O-N 2.98Å; A245-L282 WeakPolarHBondContact CB-O 3.36Å; A245-L511 WeakPolarHBondContact CB-O 3.36Å; A245-I512 HydrophobicContact CB-CB 4.45Å; A245-I512 HydrophobicContact CB-CG1 4.07Å
246	S	95.1	Very high	93.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	62.9	-25.7	179.6	79.8	0	0	0	0	119.6	V224 I225 R281 L511	V224-S246 WeakPolarHBondContact CB-OG 3.24Å; I225-S246 PolarHBondContact N-OG 2.94Å; S246-R281 CarbonylContact C-O 3.59Å; S246-R281 WeakPolarHBondContact CA-O 3.32Å; S246-R281 PolarHBondContact N-O 3.16Å; S246-R281 VanDerWaalsContact N-O 3.12Å; S246-R281 WeakPolarHBondContact O-CD 3.33Å; S246-R281 WeakPolarHBondContact O-CG 3.28Å; S246-L511 PolarHBondContact N-O 3.36Å
247	I	95.3	Very high	94.1	Very high	4 Å²	4	22 Å²	22	2%	0.021	13%	0.13	C	C	.	.			trans	-94.7	132.3	-177.1	62.5	173.3	0	0	0	113.7	V224 L229 K243 P244 A245 V260 I263 R281	V224-I247 HydrophobicContact CB-CG2 3.63Å; V224-I247 HydrophobicContact CG1-CG2 3.95Å; V224-I247 HydrophobicContact CG2-CG2 3.59Å; L229-I247 HydrophobicContact CD1-CD1 4.39Å; K243-I247 HydrophobicContact CD-CG1 4.24Å; K243-I247 HydrophobicContact CG-CD1 4.1Å; K243-I247 HydrophobicContact CG-CG1 3.93Å; K243-I247 PolarHBondContact NZ-O 3.06Å; P244-I247 HydrophobicContact CG-CD1 3.68Å; P244-I247 HydrophobicContact CG-CG1 4.12Å; A245-I247 PolarHBondContact O-N 2.98Å; I247-V260 HydrophobicContact CD1-CG2 3.6Å; I247-V260 HydrophobicContact CG1-CG2 3.98Å; I247-I263 HydrophobicContact CD1-CD1 4.3Å; I247-R281 PolarHBondContact N-O 3.43Å
248	P	95.4	Very high	94.3	Very high	5 Å²	5	16.8 Å²	16.8	3%	0.032	11%	0.106	C	C	.	.			trans	-72.3	154.2	168.2	-19	33.1	0	0	0	113.2	H250 C252 F255 N258 T259 V260 R281	P248-H250 PolarHBondContact O-N 2.87Å; P248-C252 VanDerWaalsContact CB-SG 3.58Å; P248-F255 HydrophobicContact CG-CB 3.83Å; P248-F255 HydrophobicContact CG-CD1 4.28Å; P248-F255 HydrophobicContact CG-CD2 3.66Å; P248-F255 HydrophobicContact CG-CE2 4.31Å; P248-F255 HydrophobicContact CG-CG 3.65Å; P248-N258 WeakPolarHBondContact CD-O 3.48Å; P248-T259 HydrophobicContact CB-CG2 4.23Å; P248-T259 CarbonylContact O-C 3.49Å; P248-T259 VanDerWaalsContact O-CA 3.27Å; P248-T259 WeakPolarHBondContact O-CA 3.4Å; P248-T259 WeakPolarHBondContact O-CB 3.48Å; P248-V260 PolarHBondContact O-N 3.48Å; P248-R281 HydrophobicContact CG-CB 4.34Å; P248-R281 HydrophobicContact CG-CG 3.84Å
249	V	95.3	Very high	94.3	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.012	11%	0.105	C	C	.	.	S	Bend	trans	-64.6	-36.5	179	175.8	0	0	0	0	113.2	K243 I261 T275 R278 L287 F289	K243-V249 HydrophobicContact CD-CG2 4.3Å; V249-I261 VanDerWaalsContact O-CG1 3.28Å; V249-I261 WeakPolarHBondContact O-CG1 3.4Å; V249-I261 PolarHBondContact O-N 3.34Å; V249-T275 HydrophobicContact CG1-CG2 4.08Å; V249-R278 HydrophobicContact CG2-CB 4.25Å; V249-L287 HydrophobicContact CB-CD2 4.43Å; V249-L287 HydrophobicContact CG1-CD1 4.47Å; V249-L287 HydrophobicContact CG1-CD2 4.06Å; V249-L287 HydrophobicContact CG2-CD1 4.19Å; V249-L287 HydrophobicContact CG2-CD2 3.75Å; V249-F289 HydrophobicContact CG1-CE1 3.93Å; V249-F289 HydrophobicContact CG1-CZ 4.01Å
250	H	92.3	Very high	94.3	Very high	46 Å²	46	16.7 Å²	16.7	21%	0.213	11%	0.105	C	C	.	.	S	Bend	trans	-149.9	159	-169.1	63	-48.3	0	0	0	108.6	P248 C252 I261 R278	P248-H250 PolarHBondContact O-N 2.87Å; H250-C252 PolarHBondContact O-N 3.11Å; H250-C252 VanDerWaalsContact O-N 3.16Å; H250-C252 PolarHBondContact O-SG 3.01Å; H250-I261 HydrophobicContact CB-CD1 3.82Å; H250-R278 WeakPolarHBondContact CE1-CD 3.44Å; H250-R278 PolarHBondContact CE1-NH1 3.07Å; H250-R278 PolarHBondContact NE2-NH1 3.24Å
251	P	91.9	Very high	94.2	Very high	48 Å²	48	16.8 Å²	16.8	31%	0.312	11%	0.106	S	C	.	.			trans	-53.4	119.3	179.8	-29.2	36.2	0	0	0	113.2	F129 F255 R256	F129-P251 HydrophobicContact CE1-CG 4.1Å; F129-P251 HydrophobicContact CZ-CG 3.69Å; P251-F255 WeakPolarHBondContact CA-O 3.36Å; P251-R256 HydrophobicContact CB-CB 4.17Å; P251-R256 HydrophobicContact CB-CG 4.17Å; P251-R256 HydrophobicContact CG-CB 4.47Å; P251-R256 HydrophobicContact CG-CG 4.12Å
252	C	87.7	Confident	94.1	Very high	44 Å²	44	16.9 Å²	16.9	30%	0.297	11%	0.106	S	C	.	.	B	Isolated β-bridge	trans	-154.5	141.3	179	60.9	0	0	0	0	110.8	P248 H250 R254 F255	P248-C252 VanDerWaalsContact CB-SG 3.58Å; H250-C252 PolarHBondContact O-N 3.11Å; H250-C252 VanDerWaalsContact O-N 3.16Å; H250-C252 PolarHBondContact O-SG 3.01Å; C252-R254 PolarHBondContact O-N 3.14Å; C252-F255 PolarHBondContact N-O 3.23Å; C252-F255 PolarHBondContact O-N 3.39Å
253	G	86.5	Confident	94	Very high	62 Å²	62	15.3 Å²	15.3	64%	0.639	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	-122.7	-179.1	0	0	0	0	0	112.3	R219	R219-G253 PolarHBondContact NH2-O 3.05Å
254	R	88.8	Confident	93.9	Very high	48 Å²	48	15.3 Å²	15.3	18%	0.181	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-19.7	179.7	-61.2	-174.3	59.6	156	-1.8	113.9	R219 H220 E221 P222 C252 E498	R219-R254 PolarHBondContact NH2-O 3.46Å; H220-R254 PolarHBondContact O-NH2 2.93Å; H220-R254 VanDerWaalsContact O-NH2 3.07Å; E221-R254 WeakPolarHBondContact CG-O 3.42Å; P222-R254 HydrophobicContact CG-CB 4.09Å; C252-R254 PolarHBondContact O-N 3.14Å; R254-E498 IonicContact CZ-OE2 2.9Å; R254-E498 IonicContact NH1-OE1 2.74Å; R254-E498 IonicContact NH1-OE2 3.24Å; R254-E498 PolarHBondContact NH1-OE2 3.29Å; R254-E498 VanDerWaalsContact NH1-OE2 3.15Å; R254-E498 IonicContact NH2-OE2 3.2Å; R254-E498 PolarHBondContact NH2-OE2 3.32Å
255	F	93.3	Very high	93.8	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.009	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-94	137.6	-174.1	-56.4	-89	0	0	0	113.1	P222 V224 P248 P251 C252 N258 T259 R281 D435	P222-F255 HydrophobicContact CB-CE1 3.81Å; P222-F255 HydrophobicContact CB-CZ 3.74Å; P222-F255 HydrophobicContact CG-CE1 3.96Å; P222-F255 HydrophobicContact CG-CE2 4.23Å; P222-F255 HydrophobicContact CG-CZ 3.65Å; V224-F255 HydrophobicContact CG1-CD1 4.19Å; V224-F255 HydrophobicContact CG1-CE1 3.7Å; P248-F255 HydrophobicContact CG-CB 3.83Å; P248-F255 HydrophobicContact CG-CD1 4.28Å; P248-F255 HydrophobicContact CG-CD2 3.66Å; P248-F255 HydrophobicContact CG-CE2 4.31Å; P248-F255 HydrophobicContact CG-CG 3.65Å; P251-F255 WeakPolarHBondContact CA-O 3.36Å; C252-F255 PolarHBondContact N-O 3.23Å; C252-F255 PolarHBondContact O-N 3.39Å; F255-N258 HydrophobicContact CD1-CB 4.07Å; F255-T259 HydrophobicContact CB-CG2 3.79Å; F255-R281 VanDerWaalsContact CE2-CD 3.47Å; F255-D435 WeakPolarHBondContact CE2-OD1 3.44Å
256	R	93.9	Very high	93.7	Very high	20 Å²	20	17.3 Å²	17.3	8%	0.075	11%	0.105	C	C	.	.	S	Bend	trans	-146.6	-56.9	171	172.8	-180	166.4	-146.1	-3.4	111.4	E136 E221 P251 T259 F262	E136-R256 VanDerWaalsContact CD-NH2 3.29Å; E136-R256 IonicContact OE1-CZ 3.36Å; E136-R256 VanDerWaalsContact OE1-CZ 3.24Å; E136-R256 IonicContact OE1-NH1 2.68Å; E136-R256 PolarHBondContact OE1-NH1 3.07Å; E136-R256 IonicContact OE1-NH2 3.61Å; E136-R256 PolarHBondContact OE1-NH2 2.96Å; E136-R256 IonicContact OE2-CZ 3.72Å; E136-R256 IonicContact OE2-NH1 2.75Å; E136-R256 PolarHBondContact OE2-NH1 3.02Å; E136-R256 IonicContact OE2-NH2 3.83Å; E136-R256 PolarHBondContact OE2-NH2 3.48Å; E221-R256 VanDerWaalsContact CD-N 3.27Å; E221-R256 WeakPolarHBondContact OE1-CB 3.33Å; E221-R256 PolarHBondContact OE1-N 3Å; E221-R256 PolarHBondContact OE2-N 3.29Å; P251-R256 HydrophobicContact CB-CB 4.17Å; P251-R256 HydrophobicContact CB-CG 4.17Å; P251-R256 HydrophobicContact CG-CB 4.47Å; P251-R256 HydrophobicContact CG-CG 4.12Å; R256-T259 PolarHBondContact O-OG1 2.95Å; R256-F262 VanDerWaalsContact O-CB 3.3Å; R256-F262 WeakPolarHBondContact O-CB 3.46Å
257	H	95.4	Very high	93.6	Very high	5 Å²	5	20.6 Å²	20.6	2%	0.023	12%	0.12	C	C	.	.	S	Bend	trans	-72	-39.7	175.5	-72.5	-105.2	0	0	0	110.9	H133 E136 T137 V148 Y151 E221 T259 F262	H133-H257 PolarHBondContact O-CE1 2.73Å; E136-H257 IonicContact OE2-CD2 2.74Å; E136-H257 IonicContact OE2-CE1 2.92Å; E136-H257 IonicContact OE2-NE2 3.64Å; E136-H257 PolarHBondContact OE2-NE2 3.32Å; T137-H257 VanDerWaalsContact CG2-CE1 3.4Å; T137-H257 WeakPolarHBondContact CG2-CE1 3.41Å; V148-H257 HydrophobicContact CG1-CB 3.97Å; V148-H257 HydrophobicContact CG2-CB 3.84Å; Y151-H257 AromaticContact CE1-CD2 3.74Å; Y151-H257 AromaticContact CZ-CD2 3.57Å; Y151-H257 AromaticContact CZ-NE2 3.84Å; Y151-H257 PolarHBondContact OH-CD2 2.89Å; E221-H257 VanDerWaalsContact CD-N 3.32Å; E221-H257 IonicContact OE1-CD2 3.56Å; E221-H257 PolarHBondContact OE1-CD2 3.38Å; E221-H257 IonicContact OE1-CG 3.52Å; E221-H257 PolarHBondContact OE1-N 3.45Å; E221-H257 PolarHBondContact OE2-N 2.95Å; H257-T259 PolarHBondContact O-N 2.92Å; H257-F262 HydrophobicContact CB-CD1 4.18Å; H257-F262 HydrophobicContact CB-CE1 4Å; H257-F262 HydrophobicContact CB-CZ 4.44Å; H257-F262 AromaticContact CE1-CE1 3.99Å; H257-F262 AromaticContact CE1-CZ 3.36Å; H257-F262 WeakPolarHBondContact CE1-CZ 3.31Å; H257-F262 AromaticContact CG-CE1 3.78Å; H257-F262 AromaticContact CG-CZ 3.77Å; H257-F262 AromaticContact ND1-CE1 3.2Å; H257-F262 WeakPolarHBondContact ND1-CE1 3.44Å; H257-F262 AromaticContact ND1-CE2 3.94Å; H257-F262 AromaticContact ND1-CZ 3.05Å; H257-F262 WeakPolarHBondContact ND1-CZ 3.3Å; H257-F262 VanDerWaalsContact O-CD1 3.31Å; H257-F262 WeakPolarHBondContact O-CD1 3.4Å
258	N	96.3	Very high	93.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-81.1	59	172.1	-83.9	-10.3	0	0	0	111.5	R146 V148 E221 P222 V224 P248 F255	R146-N258 WeakPolarHBondContact CD-OD1 3.34Å; R146-N258 PolarHBondContact NE-OD1 2.68Å; R146-N258 PolarHBondContact O-ND2 2.94Å; V148-N258 HydrophobicContact CG2-CB 4.49Å; V148-N258 WeakPolarHBondContact CG2-OD1 3.42Å; E221-N258 PolarHBondContact OE2-N 3.03Å; P222-N258 PolarHBondContact O-ND2 3.06Å; P222-N258 VanDerWaalsContact O-ND2 3.14Å; V224-N258 HydrophobicContact CG1-CB 3.96Å; V224-N258 HydrophobicContact CG2-CB 4.03Å; P248-N258 WeakPolarHBondContact CD-O 3.48Å; F255-N258 HydrophobicContact CD1-CB 4.07Å
259	T	96.1	Very high	93.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-139.5	149.2	175.3	68.5	0	0	0	0	113	P248 F255 R256 H257 I261 F262 I263	P248-T259 HydrophobicContact CB-CG2 4.23Å; P248-T259 CarbonylContact O-C 3.49Å; P248-T259 VanDerWaalsContact O-CA 3.27Å; P248-T259 WeakPolarHBondContact O-CA 3.4Å; P248-T259 WeakPolarHBondContact O-CB 3.48Å; F255-T259 HydrophobicContact CB-CG2 3.79Å; R256-T259 PolarHBondContact O-OG1 2.95Å; H257-T259 PolarHBondContact O-N 2.92Å; T259-I261 PolarHBondContact O-N 3Å; T259-F262 PolarHBondContact O-N 3.3Å; T259-F262 WeakPolarHBondContact OG1-CB 3.42Å; T259-I263 WeakPolarHBondContact O-CG1 3.39Å; T259-I263 PolarHBondContact O-N 2.85Å
260	V	96.9	Very high	93.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-51.5	-51.8	-173.5	-178.9	0	0	0	0	112.6	L229 V241 K243 I247 P248 F262 I263 L264 L287 F289	L229-V260 HydrophobicContact CD1-CG1 4.27Å; L229-V260 HydrophobicContact CD2-CG1 3.8Å; V241-V260 HydrophobicContact CG2-CG1 4.17Å; K243-V260 HydrophobicContact CD-CG2 3.66Å; K243-V260 HydrophobicContact CG-CG2 3.61Å; I247-V260 HydrophobicContact CD1-CG2 3.6Å; I247-V260 HydrophobicContact CG1-CG2 3.98Å; P248-V260 PolarHBondContact O-N 3.48Å; V260-F262 VanDerWaalsContact C-N 3.28Å; V260-F262 PolarHBondContact O-N 3.22Å; V260-I263 PolarHBondContact O-N 3.3Å; V260-L264 HydrophobicContact CG1-CD1 3.77Å; V260-L264 HydrophobicContact CG1-CG 4.39Å; V260-L264 WeakPolarHBondContact O-CB 3.12Å; V260-L264 VanDerWaalsContact O-CG 3.29Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 2.84Å; V260-L287 HydrophobicContact CG1-CD2 4.07Å; V260-L287 HydrophobicContact CG2-CD2 4.26Å; V260-F289 HydrophobicContact CB-CZ 4.32Å; V260-F289 HydrophobicContact CG1-CE2 3.8Å; V260-F289 HydrophobicContact CG1-CZ 3.63Å
261	I	95.3	Very high	92.7	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-33.3	-178.8	-60.6	163.9	0	0	0	111.7	V127 F129 V249 H250 T259 G265 L273 T275 F289	V127-I261 HydrophobicContact CB-CD1 4.16Å; V127-I261 HydrophobicContact CB-CG2 4.13Å; V127-I261 HydrophobicContact CG1-CD1 4.27Å; V127-I261 HydrophobicContact CG1-CG2 3.79Å; V127-I261 HydrophobicContact CG2-CD1 4.24Å; F129-I261 HydrophobicContact CE2-CB 4.4Å; F129-I261 HydrophobicContact CE2-CG2 3.91Å; V249-I261 VanDerWaalsContact O-CG1 3.28Å; V249-I261 WeakPolarHBondContact O-CG1 3.4Å; V249-I261 PolarHBondContact O-N 3.34Å; H250-I261 HydrophobicContact CB-CD1 3.82Å; T259-I261 PolarHBondContact O-N 3Å; I261-G265 PolarHBondContact O-N 3.05Å; I261-L273 HydrophobicContact CG1-CD1 4.46Å; I261-L273 HydrophobicContact CG2-CD1 4.39Å; I261-T275 HydrophobicContact CD1-CG2 3.69Å; I261-F289 HydrophobicContact CD1-CE1 3.91Å; I261-F289 HydrophobicContact CG1-CD1 4.37Å; I261-F289 HydrophobicContact CG1-CE1 3.5Å; I261-F289 VanDerWaalsContact CG1-CE1 3.5Å; I261-F289 HydrophobicContact CG1-CZ 3.93Å
262	F	95.1	Very high	92.5	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-72.2	-42.6	178.9	-168.2	-83.5	0	0	0	111.5	F129 H133 F134 R256 H257 T259 V260 G265 K266	F129-F262 AromaticContact CD1-CD2 3.93Å; F129-F262 HydrophobicContact CD1-CD2 3.93Å; F129-F262 HydrophobicContact CD1-CE2 4.23Å; F129-F262 HydrophobicContact CD2-CB 4.41Å; F129-F262 AromaticContact CD2-CD2 3.77Å; F129-F262 HydrophobicContact CD2-CD2 3.77Å; F129-F262 HydrophobicContact CD2-CG 4.43Å; F129-F262 AromaticContact CE1-CD2 3.89Å; F129-F262 HydrophobicContact CE1-CD2 3.89Å; F129-F262 HydrophobicContact CE2-CB 3.81Å; F129-F262 AromaticContact CE2-CD2 3.72Å; F129-F262 HydrophobicContact CE2-CD2 3.72Å; F129-F262 HydrophobicContact CE2-CG 4.2Å; F129-F262 AromaticContact CG-CD2 3.89Å; F129-F262 HydrophobicContact CG-CD2 3.89Å; F129-F262 HydrophobicContact CG-CE2 4.24Å; F129-F262 HydrophobicContact CZ-CB 4.18Å; F129-F262 AromaticContact CZ-CD2 3.79Å; F129-F262 HydrophobicContact CZ-CD2 3.79Å; F129-F262 HydrophobicContact CZ-CG 4.49Å; H133-F262 HydrophobicContact CB-CE2 4.49Å; H133-F262 WeakPolarHBondContact O-CZ 3.33Å; F134-F262 HydrophobicContact CD1-CD2 4.46Å; F134-F262 HydrophobicContact CD1-CE1 4.12Å; F134-F262 AromaticContact CD1-CE2 3.9Å; F134-F262 HydrophobicContact CD1-CE2 3.9Å; F134-F262 AromaticContact CD1-CZ 3.71Å; F134-F262 HydrophobicContact CD1-CZ 3.71Å; F134-F262 HydrophobicContact CE1-CD2 4.4Å; F134-F262 HydrophobicContact CE1-CE2 4.25Å; F134-F262 HydrophobicContact CE1-CZ 4.4Å; R256-F262 VanDerWaalsContact O-CB 3.3Å; R256-F262 WeakPolarHBondContact O-CB 3.46Å; H257-F262 HydrophobicContact CB-CD1 4.18Å; H257-F262 HydrophobicContact CB-CE1 4Å; H257-F262 HydrophobicContact CB-CZ 4.44Å; H257-F262 AromaticContact CE1-CE1 3.99Å; H257-F262 AromaticContact CE1-CZ 3.36Å; H257-F262 WeakPolarHBondContact CE1-CZ 3.31Å; H257-F262 AromaticContact CG-CE1 3.78Å; H257-F262 AromaticContact CG-CZ 3.77Å; H257-F262 AromaticContact ND1-CE1 3.2Å; H257-F262 WeakPolarHBondContact ND1-CE1 3.44Å; H257-F262 AromaticContact ND1-CE2 3.94Å; H257-F262 AromaticContact ND1-CZ 3.05Å; H257-F262 WeakPolarHBondContact ND1-CZ 3.3Å; H257-F262 VanDerWaalsContact O-CD1 3.31Å; H257-F262 WeakPolarHBondContact O-CD1 3.4Å; T259-F262 PolarHBondContact O-N 3.3Å; T259-F262 WeakPolarHBondContact OG1-CB 3.42Å; V260-F262 VanDerWaalsContact C-N 3.28Å; V260-F262 PolarHBondContact O-N 3.22Å; F262-G265 PolarHBondContact O-N 3.33Å; F262-K266 HydrophobicContact CD1-CB 4.41Å; F262-K266 HydrophobicContact CD1-CD 4.48Å; F262-K266 HydrophobicContact CE1-CB 4.23Å; F262-K266 HydrophobicContact CE1-CD 3.63Å; F262-K266 HydrophobicContact CZ-CD 4.3Å; F262-K266 WeakPolarHBondContact O-CB 3.42Å; F262-K266 PolarHBondContact O-N 3.06Å
263	I	95.9	Very high	92.6	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-50.8	174.7	-66.2	172	0	0	0	110.1	L229 I247 T259 V260 G265 K266 E267	L229-I263 HydrophobicContact CB-CG2 4.16Å; L229-I263 HydrophobicContact CD2-CB 4.48Å; L229-I263 HydrophobicContact CD2-CG2 4.06Å; I247-I263 HydrophobicContact CD1-CD1 4.3Å; T259-I263 WeakPolarHBondContact O-CG1 3.39Å; T259-I263 PolarHBondContact O-N 2.85Å; V260-I263 PolarHBondContact O-N 3.3Å; I263-G265 VanDerWaalsContact C-N 3.29Å; I263-G265 PolarHBondContact O-N 3.07Å; I263-K266 PolarHBondContact O-N 3.35Å; I263-E267 WeakPolarHBondContact O-CB 3.29Å; I263-E267 PolarHBondContact O-N 2.82Å
264	L	95.3	Very high	92.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-56.2	-41.6	174.7	-72.8	170.2	0	0	0	112.6	L229 I231 L239 V241 V260 H268 G269 V270 L273 F289	L229-L264 HydrophobicContact CD2-CD1 4.12Å; L229-L264 HydrophobicContact CD2-CD2 3.57Å; L229-L264 HydrophobicContact CD2-CG 3.48Å; L229-L264 VanDerWaalsContact CD2-CG 3.48Å; I231-L264 HydrophobicContact CD1-CD2 4.25Å; I231-L264 HydrophobicContact CG1-CD2 4.2Å; L239-L264 HydrophobicContact CD2-CD1 3.75Å; L239-L264 HydrophobicContact CD2-CD2 4.25Å; V241-L264 HydrophobicContact CG1-CD1 4.21Å; V241-L264 HydrophobicContact CG1-CD2 4.14Å; V260-L264 HydrophobicContact CG1-CD1 3.77Å; V260-L264 HydrophobicContact CG1-CG 4.39Å; V260-L264 WeakPolarHBondContact O-CB 3.12Å; V260-L264 VanDerWaalsContact O-CG 3.29Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 2.84Å; L264-H268 CarbonylContact O-C 3.55Å; L264-H268 WeakPolarHBondContact O-CA 3.39Å; L264-H268 WeakPolarHBondContact O-CB 3.46Å; L264-H268 PolarHBondContact O-N 3.3Å; L264-G269 PolarHBondContact O-N 3.41Å; L264-V270 HydrophobicContact CB-CB 4.11Å; L264-V270 HydrophobicContact CB-CG1 4.38Å; L264-V270 WeakPolarHBondContact O-CB 3.4Å; L264-V270 PolarHBondContact O-N 2.73Å; L264-L273 HydrophobicContact CB-CD1 4.27Å; L264-L273 HydrophobicContact CD1-CD1 3.62Å; L264-F289 HydrophobicContact CD1-CD2 4.36Å; L264-F289 HydrophobicContact CD1-CE2 3.87Å; L264-F289 HydrophobicContact CD1-CZ 4.35Å
265	G	93.5	Very high	93	Very high	8 Å²	8	29.4 Å²	29.4	8%	0.082	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-47.3	176.3	0	0	0	0	0	113.6	I261 F262 I263 G269 V270	I261-G265 PolarHBondContact O-N 3.05Å; F262-G265 PolarHBondContact O-N 3.33Å; I263-G265 VanDerWaalsContact C-N 3.29Å; I263-G265 PolarHBondContact O-N 3.07Å; G265-G269 WeakPolarHBondContact O-CA 3.38Å; G265-G269 PolarHBondContact O-N 3.16Å; G265-V270 WeakPolarHBondContact CA-O 3.22Å
266	K	93.1	Very high	92.8	Very high	61 Å²	61	30.2 Å²	30.2	27%	0.265	17%	0.168	S	C	.	.	H	α-helix	trans	-79.2	-39.4	-172.5	-172.4	162.7	178.7	164.1	0	113.4	F134 T137 Y139 F262 I263	F134-K266 HydrophobicContact CB-CD 4.35Å; F134-K266 HydrophobicContact CB-CG 4.38Å; F134-K266 HydrophobicContact CD1-CB 3.68Å; F134-K266 HydrophobicContact CD1-CD 4.35Å; F134-K266 HydrophobicContact CD1-CG 4.17Å; F134-K266 HydrophobicContact CE1-CB 3.97Å; F134-K266 HydrophobicContact CG-CB 4.35Å; F134-K266 HydrophobicContact CG-CG 4.47Å; F134-K266 WeakPolarHBondContact O-CE 3.28Å; F134-K266 PolarHBondContact O-NZ 2.82Å; T137-K266 PolarHBondContact O-NZ 3.41Å; Y139-K266 HydrophobicContact CD1-CD 4.34Å; Y139-K266 HydrophobicContact CE1-CD 4.09Å; F262-K266 HydrophobicContact CD1-CB 4.41Å; F262-K266 HydrophobicContact CD1-CD 4.48Å; F262-K266 HydrophobicContact CE1-CB 4.23Å; F262-K266 HydrophobicContact CE1-CD 3.63Å; F262-K266 HydrophobicContact CZ-CD 4.3Å; F262-K266 WeakPolarHBondContact O-CB 3.42Å; F262-K266 PolarHBondContact O-N 3.06Å; I263-K266 PolarHBondContact O-N 3.35Å
267	E	93.7	Very high	92.7	Very high	70 Å²	70	30.8 Å²	30.8	33%	0.327	17%	0.172	S	C	.	.	H	α-helix	trans	-99	-30.1	-173.4	-75	152.3	-118.6	0	0	113.3	Y139 R146 I263	Y139-E267 VanDerWaalsContact OH-CD 3.3Å; Y139-E267 VanDerWaalsContact OH-CG 3.25Å; Y139-E267 WeakPolarHBondContact OH-CG 3.39Å; Y139-E267 PolarHBondContact OH-OE1 2.88Å; R146-E267 IonicContact CZ-OE1 2.87Å; R146-E267 IonicContact NH1-OE1 3.54Å; R146-E267 PolarHBondContact NH1-OE1 3.3Å; R146-E267 IonicContact NH1-OE2 2.63Å; R146-E267 PolarHBondContact NH1-OE2 2.96Å; R146-E267 IonicContact NH2-OE1 2.69Å; R146-E267 PolarHBondContact NH2-OE1 2.91Å; I263-E267 WeakPolarHBondContact O-CB 3.29Å; I263-E267 PolarHBondContact O-N 2.82Å
268	H	92.6	Very high	92.5	Very high	88 Å²	88	38.2 Å²	38.2	41%	0.407	20%	0.199	S	C	.	.	H	α-helix	trans	-112.6	-0	-177.3	-56	-93.4	0	0	0	113.5	I231 L264 V270	I231-H268 HydrophobicContact CD1-CB 4.35Å; L264-H268 CarbonylContact O-C 3.55Å; L264-H268 WeakPolarHBondContact O-CA 3.39Å; L264-H268 WeakPolarHBondContact O-CB 3.46Å; L264-H268 PolarHBondContact O-N 3.3Å; H268-V270 HydrophobicContact CB-CG2 3.76Å; H268-V270 PolarHBondContact O-N 2.83Å
269	G	91.3	Very high	92.5	Very high	62 Å²	62	38.8 Å²	38.8	64%	0.639	20%	0.202	S	C	*	.			trans	66.6	11.9	-177.3	0	0	0	0	0	114.3	L264 G265 S271	L264-G269 PolarHBondContact O-N 3.41Å; G265-G269 WeakPolarHBondContact O-CA 3.38Å; G265-G269 PolarHBondContact O-N 3.16Å; G269-S271 PolarHBondContact O-N 2.97Å
270	V	90.2	Very high	92.3	Very high	9 Å²	9	40.9 Å²	40.9	6%	0.055	21%	0.214	C	C	.	.			trans	-81.2	107.7	-171.8	174	0	0	0	0	109.9	L239 L264 G265 H268 L273	L239-V270 HydrophobicContact CD2-CG1 3.71Å; L264-V270 HydrophobicContact CB-CB 4.11Å; L264-V270 HydrophobicContact CB-CG1 4.38Å; L264-V270 WeakPolarHBondContact O-CB 3.4Å; L264-V270 PolarHBondContact O-N 2.73Å; G265-V270 WeakPolarHBondContact CA-O 3.22Å; H268-V270 HydrophobicContact CB-CG2 3.76Å; H268-V270 PolarHBondContact O-N 2.83Å; V270-L273 HydrophobicContact CG1-CD1 3.79Å; V270-L273 HydrophobicContact CG1-CD2 3.65Å; V270-L273 HydrophobicContact CG1-CG 3.85Å
271	S	85.2	Confident	92.2	Very high	60 Å²	60	42 Å²	42	42%	0.42	22%	0.218	S	C	.	.			trans	-112.2	169.2	178.7	65.7	0	0	0	0	113.1	G269 L273 R291	G269-S271 PolarHBondContact O-N 2.97Å; S271-L273 PolarHBondContact O-N 3.5Å; S271-R291 PolarHBondContact O-NH1 3.48Å; S271-R291 VanDerWaalsContact O-NH1 3.15Å
272	K	85.7	Confident	92.2	Very high	140 Å²	140	42.3 Å²	42.3	61%	0.609	22%	0.22	S	C	*	.			trans	60.8	39.2	176.3	-53.9	173.6	-175.4	168.6	0	114.3	H274	K272-H274 PolarHBondContact O-CD2 3.22Å
273	L	90.9	Very high	92.2	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-75.3	136.5	175.4	-63.5	-179.4	0	0	0	111.6	V127 L239 I261 L264 V270 S271 F289	V127-L273 PolarHBondContact N-O 3.37Å; L239-L273 HydrophobicContact CB-CD2 4.39Å; L239-L273 HydrophobicContact CD2-CD1 3.89Å; L239-L273 HydrophobicContact CD2-CD2 3.78Å; I261-L273 HydrophobicContact CG1-CD1 4.46Å; I261-L273 HydrophobicContact CG2-CD1 4.39Å; L264-L273 HydrophobicContact CB-CD1 4.27Å; L264-L273 HydrophobicContact CD1-CD1 3.62Å; V270-L273 HydrophobicContact CG1-CD1 3.79Å; V270-L273 HydrophobicContact CG1-CD2 3.65Å; V270-L273 HydrophobicContact CG1-CG 3.85Å; S271-L273 PolarHBondContact O-N 3.5Å; L273-F289 HydrophobicContact CB-CB 4.29Å; L273-F289 HydrophobicContact CB-CD1 4.01Å; L273-F289 HydrophobicContact CB-CG 4.33Å; L273-F289 HydrophobicContact CD1-CB 4.46Å; L273-F289 HydrophobicContact CD1-CD1 4.17Å; L273-F289 HydrophobicContact CD1-CD2 4.31Å; L273-F289 HydrophobicContact CD1-CE1 4.47Å; L273-F289 HydrophobicContact CD1-CG 4.07Å; L273-F289 HydrophobicContact CD2-CB 3.94Å; L273-F289 HydrophobicContact CD2-CG 4.44Å; L273-F289 HydrophobicContact CG-CB 4.46Å
274	H	91.7	Very high	92.3	Very high	28 Å²	28	42.9 Å²	42.9	13%	0.13	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.4	171.2	-65.8	-95.7	0	0	0	109	K272 V276 F289 A290	K272-H274 PolarHBondContact O-CD2 3.22Å; H274-V276 PolarHBondContact O-N 2.87Å; H274-F289 WeakPolarHBondContact O-CA 3.41Å; H274-A290 HydrophobicContact CB-CB 4.12Å; H274-A290 WeakPolarHBondContact CB-O 3.31Å; H274-A290 PolarHBondContact N-O 3.23Å; H274-A290 PolarHBondContact O-N 3.3Å
275	T	91.3	Very high	92.5	Very high	56 Å²	56	42.9 Å²	42.9	34%	0.344	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	113.1	177.3	49.5	0	0	0	0	110.7	V249 I261 F289	V249-T275 HydrophobicContact CG1-CG2 4.08Å; I261-T275 HydrophobicContact CD1-CG2 3.69Å; T275-F289 HydrophobicContact CG2-CD1 4.17Å; T275-F289 HydrophobicContact CG2-CE1 3.93Å
276	V	90.3	Very high	92.7	Very high	18 Å²	18	42.5 Å²	42.5	11%	0.109	22%	0.22	C	C	.	.	S	Bend	trans	-79	-42.9	175.7	176.9	0	0	0	0	110.6	H274 A290 L299 V303	H274-V276 PolarHBondContact O-N 2.87Å; V276-A290 HydrophobicContact CG2-CB 4.21Å; V276-L299 HydrophobicContact CB-CB 4.46Å; V276-L299 HydrophobicContact CG1-CB 3.65Å; V276-L299 HydrophobicContact CG1-CD1 4.5Å; V276-L299 HydrophobicContact CG2-CB 3.91Å; V276-L299 HydrophobicContact CG2-CD1 3.64Å; V276-L299 HydrophobicContact CG2-CG 4.43Å; V276-V303 HydrophobicContact CG1-CG2 4.4Å
277	H	90.8	Very high	92.9	Very high	32 Å²	32	39.6 Å²	39.6	15%	0.148	21%	0.207	C	C	.	.			trans	-144.5	-177.3	175.5	65.5	98.7	0	0	0	109.4	L288 Y520	H277-L288 WeakPolarHBondContact NE2-CD1 3.2Å; H277-L288 PolarHBondContact NE2-N 3.37Å; H277-L288 VanDerWaalsContact NE2-N 3.13Å; H277-Y520 AromaticContact CD2-CE2 3.9Å; H277-Y520 AromaticContact CE1-CE2 3.25Å; H277-Y520 WeakPolarHBondContact CE1-CE2 3.47Å; H277-Y520 AromaticContact CE1-CZ 3.52Å; H277-Y520 PolarHBondContact CE1-OH 3.15Å; H277-Y520 VanDerWaalsContact CE1-OH 3.29Å; H277-Y520 AromaticContact ND1-CE2 3.77Å; H277-Y520 AromaticContact ND1-CZ 3.96Å; H277-Y520 PolarHBondContact ND1-OH 3.34Å; H277-Y520 AromaticContact NE2-CD2 3.96Å; H277-Y520 AromaticContact NE2-CE2 3.34Å; H277-Y520 VanDerWaalsContact NE2-CE2 3.34Å; H277-Y520 WeakPolarHBondContact NE2-CE2 3.38Å
278	R	92.6	Very high	93	Very high	161 Å²	161	36.3 Å²	36.3	61%	0.608	19%	0.192	S	C	*	.			trans	-134	149.5	173.5	-54.7	-171.8	-59.7	-172.2	6.2	109.3	V249 H250	V249-R278 HydrophobicContact CG2-CB 4.25Å; H250-R278 WeakPolarHBondContact CE1-CD 3.44Å; H250-R278 PolarHBondContact CE1-NH1 3.07Å; H250-R278 PolarHBondContact NE2-NH1 3.24Å
279	L	94.7	Very high	93.2	Very high	12 Å²	12	32.1 Å²	32.1	6%	0.063	17%	0.173	C	C	.	.			trans	-101.2	153.9	161.4	-63.5	179.1	0	0	0	108.4	K243 T283 L287 Y312 A517	K243-L279 HydrophobicContact CB-CD1 4.43Å; L279-T283 HydrophobicContact CB-CG2 4.31Å; L279-T283 HydrophobicContact CD1-CG2 4.44Å; L279-T283 HydrophobicContact CD2-CG2 4.23Å; L279-L287 HydrophobicContact CD1-CB 4.31Å; L279-Y312 HydrophobicContact CD2-CE1 4.13Å; L279-A517 HydrophobicContact CD1-CB 4.01Å; L279-A517 HydrophobicContact CD2-CB 3.97Å
280	D	93.4	Very high	93.4	Very high	45 Å²	45	29.2 Å²	29.2	24%	0.241	14%	0.142	C	C	.	.			trans	-61.4	157.1	171.1	-56.5	-12.8	0	0	0	110	L282 T283 H376 R379	D280-L282 VanDerWaalsContact C-N 3.33Å; D280-L282 PolarHBondContact O-N 3.35Å; D280-T283 PolarHBondContact O-N 3Å; D280-H376 IonicContact OD1-CD2 2.72Å; D280-H376 IonicContact OD1-NE2 3.19Å; D280-H376 IonicContact OD2-CD2 2.97Å; D280-H376 PolarHBondContact OD2-CD2 2.8Å; D280-H376 IonicContact OD2-NE2 3.64Å; D280-R379 WeakPolarHBondContact OD2-CD 3.4Å; D280-R379 IonicContact OD2-CZ 3.55Å; D280-R379 IonicContact OD2-NH1 2.79Å; D280-R379 PolarHBondContact OD2-NH1 3.38Å
281	R	94.1	Very high	93.5	Very high	23 Å²	23	31.8 Å²	31.8	9%	0.087	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-49.8	-179	-177.5	174.1	70	70.9	8.5	112.4	K243 S246 I247 P248 F255 L433 D435	K243-R281 PolarHBondContact NZ-O 2.84Å; S246-R281 CarbonylContact C-O 3.59Å; S246-R281 WeakPolarHBondContact CA-O 3.32Å; S246-R281 PolarHBondContact N-O 3.16Å; S246-R281 VanDerWaalsContact N-O 3.12Å; S246-R281 WeakPolarHBondContact O-CD 3.33Å; S246-R281 WeakPolarHBondContact O-CG 3.28Å; I247-R281 PolarHBondContact N-O 3.43Å; P248-R281 HydrophobicContact CG-CB 4.34Å; P248-R281 HydrophobicContact CG-CG 3.84Å; F255-R281 VanDerWaalsContact CE2-CD 3.47Å; R281-L433 VanDerWaalsContact NH2-CA 3.29Å; R281-L433 PolarHBondContact NH2-O 3.49Å; R281-D435 IonicContact NE-OD1 3.22Å
282	L	94.8	Very high	93.8	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.047	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.7	-177.7	-63.2	173.5	0	0	0	114.5	A245 D280 P393 L511 M513	A245-L282 WeakPolarHBondContact CB-O 3.36Å; D280-L282 VanDerWaalsContact C-N 3.33Å; D280-L282 PolarHBondContact O-N 3.35Å; L282-P393 HydrophobicContact CD1-CG 3.55Å; L282-L511 VanDerWaalsContact CD2-O 3.27Å; L282-L511 WeakPolarHBondContact CD2-O 3.45Å; L282-M513 HydrophobicContact CB-CB 3.78Å; L282-M513 HydrophobicContact CB-CE 4.13Å
283	T	96.4	Very high	94	Very high	4 Å²	4	28.9 Å²	28.9	3%	0.025	14%	0.139	C	C	.	.			trans	-74.5	138.9	175.6	-62.1	0	0	0	0	110	K243 L279 D280 Y312 M513 L515	K243-T283 WeakPolarHBondContact CE-O 3.4Å; K243-T283 PolarHBondContact NZ-O 2.95Å; L279-T283 HydrophobicContact CB-CG2 4.31Å; L279-T283 HydrophobicContact CD1-CG2 4.44Å; L279-T283 HydrophobicContact CD2-CG2 4.23Å; D280-T283 PolarHBondContact O-N 3Å; T283-Y312 HydrophobicContact CG2-CE1 4.43Å; T283-M513 VanDerWaalsContact OG1-CE 3.24Å; T283-M513 WeakPolarHBondContact OG1-CE 3.41Å; T283-L515 HydrophobicContact CG2-CD2 4.34Å; T283-L515 HydrophobicContact CG2-CG 4.1Å
284	S	97.7	Very high	94.1	Very high	13 Å²	13	36.2 Å²	36.2	9%	0.091	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	174.5	176.2	53.2	0	0	0	0	112.5	K243 L515 H516 A517	K243-S284 CarbonylContact O-C 3.45Å; K243-S284 WeakPolarHBondContact O-CA 3.36Å; K243-S284 VanDerWaalsContact O-CB 3.29Å; K243-S284 WeakPolarHBondContact O-CB 3.27Å; S284-L515 PolarHBondContact N-O 3.36Å; S284-L515 VanDerWaalsContact N-O 3.14Å; S284-L515 PolarHBondContact OG-O 3.28Å; S284-H516 WeakPolarHBondContact CB-ND1 3.38Å; S284-H516 CarbonylContact O-C 3.39Å; S284-H516 WeakPolarHBondContact O-CA 3.42Å; S284-H516 PolarHBondContact OG-ND1 2.95Å; S284-A517 PolarHBondContact O-N 2.77Å
285	G	97.9	Very high	94.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.8	-161.5	169.2	0	0	0	0	0	116.2	D242 K243 L287 H516 A517	D242-G285 WeakPolarHBondContact OD1-CA 3.06Å; K243-G285 WeakPolarHBondContact CB-O 3.36Å; K243-G285 PolarHBondContact N-O 2.87Å; K243-G285 PolarHBondContact O-N 2.86Å; G285-L287 PolarHBondContact O-N 2.87Å; G285-H516 WeakPolarHBondContact CA-CE1 3.02Å; G285-H516 PolarHBondContact N-CE1 2.97Å; G285-H516 PolarHBondContact N-ND1 2.67Å; G285-A517 CarbonylContact C-O 3.58Å; G285-A517 WeakPolarHBondContact CA-O 3.35Å
286	V	98.1	Very high	94.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	121.4	-169.9	179.5	0	0	0	0	112.7	V240 L288 A517 Y520 T529	V240-V286 HydrophobicContact CG1-CG1 3.89Å; V286-L288 HydrophobicContact CG1-CD1 3.78Å; V286-A517 WeakPolarHBondContact CG2-O 3.05Å; V286-A517 PolarHBondContact N-O 2.83Å; V286-Y520 HydrophobicContact CB-CD1 4.09Å; V286-Y520 HydrophobicContact CG1-CD1 4.05Å; V286-Y520 HydrophobicContact CG1-CG 4.02Å; V286-T529 HydrophobicContact CG2-CG2 3.75Å
287	L	97.5	Very high	94.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.9	174.9	174.7	65.1	0	0	0	110.8	V240 V241 K243 V249 V260 L279 G285 F289	V240-L287 WeakPolarHBondContact CA-O 3.29Å; V241-L287 HydrophobicContact CG2-CB 3.89Å; V241-L287 HydrophobicContact CG2-CD2 4.13Å; V241-L287 HydrophobicContact CG2-CG 4.28Å; V241-L287 PolarHBondContact N-O 2.99Å; V241-L287 PolarHBondContact O-N 3.25Å; K243-L287 HydrophobicContact CB-CB 4.45Å; K243-L287 HydrophobicContact CB-CD2 4.45Å; K243-L287 HydrophobicContact CD-CD2 4.13Å; K243-L287 HydrophobicContact CG-CD2 4.44Å; V249-L287 HydrophobicContact CB-CD2 4.43Å; V249-L287 HydrophobicContact CG1-CD1 4.47Å; V249-L287 HydrophobicContact CG1-CD2 4.06Å; V249-L287 HydrophobicContact CG2-CD1 4.19Å; V249-L287 HydrophobicContact CG2-CD2 3.75Å; V260-L287 HydrophobicContact CG1-CD2 4.07Å; V260-L287 HydrophobicContact CG2-CD2 4.26Å; L279-L287 HydrophobicContact CD1-CB 4.31Å; G285-L287 PolarHBondContact O-N 2.87Å; L287-F289 HydrophobicContact CD2-CE2 3.78Å; L287-F289 HydrophobicContact CD2-CZ 3.66Å; L287-F289 HydrophobicContact CG-CE2 3.89Å; L287-F289 HydrophobicContact CG-CZ 4.06Å
288	L	96.3	Very high	94.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.7	-179.4	-65.4	80.7	0	0	0	112	V238 V240 H277 V286 Y520 F525 Y527	V238-L288 HydrophobicContact CG1-CD2 4.48Å; V240-L288 HydrophobicContact CG1-CG 4.43Å; V240-L288 HydrophobicContact CG2-CG 4.22Å; H277-L288 WeakPolarHBondContact NE2-CD1 3.2Å; H277-L288 PolarHBondContact NE2-N 3.37Å; H277-L288 VanDerWaalsContact NE2-N 3.13Å; V286-L288 HydrophobicContact CG1-CD1 3.78Å; L288-Y520 HydrophobicContact CD1-CD2 3.4Å; L288-Y520 VanDerWaalsContact CD1-CD2 3.4Å; L288-Y520 HydrophobicContact CD1-CE2 4.06Å; L288-Y520 HydrophobicContact CD1-CG 3.89Å; L288-F525 HydrophobicContact CD2-CE2 4.04Å; L288-F525 HydrophobicContact CD2-CZ 4.36Å; L288-Y527 HydrophobicContact CD2-CD2 3.87Å; L288-Y527 HydrophobicContact CD2-CE2 3.87Å; L288-Y527 HydrophobicContact CG-CD2 4.31Å
289	F	95.9	Very high	94.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.7	165	-58.3	-87.6	0	0	0	109.7	V238 L239 V241 V249 V260 I261 L264 L273 H274 T275 L287	V238-F289 WeakPolarHBondContact CA-O 2.91Å; L239-F289 HydrophobicContact CB-CB 4.39Å; L239-F289 HydrophobicContact CD2-CD2 4.23Å; L239-F289 PolarHBondContact N-O 3.24Å; L239-F289 PolarHBondContact O-N 3.12Å; V241-F289 HydrophobicContact CG2-CE2 4.02Å; V249-F289 HydrophobicContact CG1-CE1 3.93Å; V249-F289 HydrophobicContact CG1-CZ 4.01Å; V260-F289 HydrophobicContact CB-CZ 4.32Å; V260-F289 HydrophobicContact CG1-CE2 3.8Å; V260-F289 HydrophobicContact CG1-CZ 3.63Å; I261-F289 HydrophobicContact CD1-CE1 3.91Å; I261-F289 HydrophobicContact CG1-CD1 4.37Å; I261-F289 HydrophobicContact CG1-CE1 3.5Å; I261-F289 VanDerWaalsContact CG1-CE1 3.5Å; I261-F289 HydrophobicContact CG1-CZ 3.93Å; L264-F289 HydrophobicContact CD1-CD2 4.36Å; L264-F289 HydrophobicContact CD1-CE2 3.87Å; L264-F289 HydrophobicContact CD1-CZ 4.35Å; L273-F289 HydrophobicContact CB-CB 4.29Å; L273-F289 HydrophobicContact CB-CD1 4.01Å; L273-F289 HydrophobicContact CB-CG 4.33Å; L273-F289 HydrophobicContact CD1-CB 4.46Å; L273-F289 HydrophobicContact CD1-CD1 4.17Å; L273-F289 HydrophobicContact CD1-CD2 4.31Å; L273-F289 HydrophobicContact CD1-CE1 4.47Å; L273-F289 HydrophobicContact CD1-CG 4.07Å; L273-F289 HydrophobicContact CD2-CB 3.94Å; L273-F289 HydrophobicContact CD2-CG 4.44Å; L273-F289 HydrophobicContact CG-CB 4.46Å; H274-F289 WeakPolarHBondContact O-CA 3.41Å; T275-F289 HydrophobicContact CG2-CD1 4.17Å; T275-F289 HydrophobicContact CG2-CE1 3.93Å; L287-F289 HydrophobicContact CD2-CE2 3.78Å; L287-F289 HydrophobicContact CD2-CZ 3.66Å; L287-F289 HydrophobicContact CG-CE2 3.89Å; L287-F289 HydrophobicContact CG-CZ 4.06Å
290	A	95.4	Very high	94.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	138.9	164.4	0	0	0	0	0	110.2	H274 V276 M295 S296 L299	H274-A290 HydrophobicContact CB-CB 4.12Å; H274-A290 WeakPolarHBondContact CB-O 3.31Å; H274-A290 PolarHBondContact N-O 3.23Å; H274-A290 PolarHBondContact O-N 3.3Å; V276-A290 HydrophobicContact CG2-CB 4.21Å; A290-M295 HydrophobicContact CB-CB 4.1Å; A290-M295 HydrophobicContact CB-CG 4.26Å; A290-S296 VanDerWaalsContact CB-CA 3.5Å; A290-L299 HydrophobicContact CB-CD1 4.39Å
291	R	92.9	Very high	94.7	Very high	63 Å²	63	38 Å²	38	24%	0.238	18%	0.182	C	C	.	.	S	Bend	trans	-84.2	-20.4	174.6	-57.8	-67.2	-104.2	133.3	-4.8	112.2	D234 G236 E237 L239 S271	D234-R291 IonicContact OD1-CZ 3.62Å; D234-R291 IonicContact OD1-NE 2.77Å; D234-R291 PolarHBondContact OD1-NE 2.77Å; D234-R291 IonicContact OD1-NH2 3.32Å; D234-R291 IonicContact OD2-CZ 3.07Å; D234-R291 IonicContact OD2-NE 3.66Å; D234-R291 IonicContact OD2-NH2 3.97Å; D234-R291 PolarHBondContact OD2-NH2 3.01Å; G236-R291 WeakPolarHBondContact O-CB 3.3Å; E237-R291 WeakPolarHBondContact O-CB 3.47Å; E237-R291 PolarHBondContact O-N 3.14Å; L239-R291 HydrophobicContact CB-CG 4.47Å; S271-R291 PolarHBondContact O-NH1 3.48Å; S271-R291 VanDerWaalsContact O-NH1 3.15Å
292	T	91.4	Very high	94.7	Very high	50 Å²	50	37.6 Å²	37.6	31%	0.307	18%	0.181	S	C	.	.	S	Bend	trans	-125.8	153.9	179.3	75	0	0	0	0	111.7	E294 M295 S296	T292-E294 PolarHBondContact O-N 3.09Å; T292-M295 PolarHBondContact O-N 2.95Å; T292-M295 WeakPolarHBondContact OG1-CB 3.47Å; T292-M295 PolarHBondContact OG1-N 3.26Å; T292-S296 WeakPolarHBondContact O-CB 3.37Å; T292-S296 PolarHBondContact O-N 3.44Å
293	L	90.8	Very high	94.5	Very high	89 Å²	89	40.3 Å²	40.3	47%	0.466	20%	0.198	S	C	.	.	H	α-helix	trans	-65.5	-27.1	174.2	179.8	61.6	0	0	0	112.3	K297	L293-K297 WeakPolarHBondContact O-CG 3.27Å; L293-K297 PolarHBondContact O-N 3.14Å
294	E	93.1	Very high	94.2	Very high	156 Å²	156	47.1 Å²	47.1	73%	0.729	22%	0.223	S	C	*	.	H	α-helix	trans	-70	-50.6	176.1	-178	162.1	-166	0	0	111.1	T292 S296 K297 K298	T292-E294 PolarHBondContact O-N 3.09Å; E294-S296 VanDerWaalsContact C-N 3.28Å; E294-S296 PolarHBondContact O-N 3.3Å; E294-K297 WeakPolarHBondContact O-CB 3.06Å; E294-K297 PolarHBondContact O-N 3.2Å; E294-K298 PolarHBondContact O-N 2.99Å
295	M	94.4	Very high	94	Very high	16 Å²	16	50.6 Å²	50.6	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-33.8	176.6	-169.9	50.3	164.5	0	0	111.9	E237 V238 A290 T292 K297 K298 L299	E237-M295 HydrophobicContact CB-CB 4.47Å; E237-M295 HydrophobicContact CB-CG 4.23Å; V238-M295 HydrophobicContact CG2-CE 3.28Å; V238-M295 HydrophobicContact CG2-CG 3.75Å; V238-M295 HydrophobicContact CG2-SD 4.37Å; A290-M295 HydrophobicContact CB-CB 4.1Å; A290-M295 HydrophobicContact CB-CG 4.26Å; T292-M295 PolarHBondContact O-N 2.95Å; T292-M295 WeakPolarHBondContact OG1-CB 3.47Å; T292-M295 PolarHBondContact OG1-N 3.26Å; M295-K297 VanDerWaalsContact C-N 3.31Å; M295-K297 PolarHBondContact O-N 2.9Å; M295-K298 HydrophobicContact CE-CD 4.48Å; M295-K298 PolarHBondContact O-N 3.14Å; M295-K298 HydrophobicContact SD-CB 3.97Å; M295-K298 HydrophobicContact SD-CD 3.81Å; M295-K298 HydrophobicContact SD-CG 4.27Å; M295-L299 HydrophobicContact CE-CD1 4.19Å; M295-L299 HydrophobicContact CE-CD2 3.9Å; M295-L299 HydrophobicContact CE-CG 4Å; M295-L299 HydrophobicContact CG-CD1 4.09Å; M295-L299 HydrophobicContact CG-CG 4.27Å; M295-L299 WeakPolarHBondContact O-CB 3.41Å; M295-L299 WeakPolarHBondContact O-CG 3.5Å; M295-L299 PolarHBondContact O-N 3.16Å; M295-L299 HydrophobicContact SD-CD1 4.44Å; M295-L299 HydrophobicContact SD-CD2 4.49Å; M295-L299 HydrophobicContact SD-CG 4.05Å
296	S	94.3	Very high	93.7	Very high	11 Å²	11	59.5 Å²	59.5	8%	0.077	27%	0.274	C	S	.	.	H	α-helix	trans	-56.9	-44.6	170.6	-172.9	0	0	0	0	111.6	A290 T292 E294 D300	A290-S296 VanDerWaalsContact CB-CA 3.5Å; T292-S296 WeakPolarHBondContact O-CB 3.37Å; T292-S296 PolarHBondContact O-N 3.44Å; E294-S296 VanDerWaalsContact C-N 3.28Å; E294-S296 PolarHBondContact O-N 3.3Å; S296-D300 VanDerWaalsContact O-CB 3.25Å; S296-D300 WeakPolarHBondContact O-CB 3.27Å; S296-D300 PolarHBondContact O-N 2.95Å
297	K	93.7	Very high	93.5	Very high	129 Å²	129	64.1 Å²	64.1	56%	0.561	30%	0.296	S	S	*	.	H	α-helix	trans	-68.8	-38.1	177.4	-71.2	168.7	-179	176.9	0	112.5	L293 E294 M295 Q301	L293-K297 WeakPolarHBondContact O-CG 3.27Å; L293-K297 PolarHBondContact O-N 3.14Å; E294-K297 WeakPolarHBondContact O-CB 3.06Å; E294-K297 PolarHBondContact O-N 3.2Å; M295-K297 VanDerWaalsContact C-N 3.31Å; M295-K297 PolarHBondContact O-N 2.9Å; K297-Q301 WeakPolarHBondContact O-CB 3.36Å; K297-Q301 PolarHBondContact O-N 3.25Å
298	K	94.8	Very high	93.3	Very high	96 Å²	96	65.1 Å²	65.1	42%	0.417	30%	0.301	S	S	.	.	H	α-helix	trans	-60.8	-53	175.3	-175.6	-178.9	175.5	-171.9	0	110	E294 M295 Q301 L302 D524	E294-K298 PolarHBondContact O-N 2.99Å; M295-K298 HydrophobicContact CE-CD 4.48Å; M295-K298 PolarHBondContact O-N 3.14Å; M295-K298 HydrophobicContact SD-CB 3.97Å; M295-K298 HydrophobicContact SD-CD 3.81Å; M295-K298 HydrophobicContact SD-CG 4.27Å; K298-Q301 WeakPolarHBondContact O-CB 2.98Å; K298-Q301 PolarHBondContact O-N 3.12Å; K298-Q301 VanDerWaalsContact O-N 3.11Å; K298-L302 PolarHBondContact O-N 3.41Å; K298-D524 IonicContact NZ-OD2 2.82Å; K298-D524 PolarHBondContact NZ-OD2 3.3Å
299	L	94	Very high	93.3	Very high	6 Å²	6	71.1 Å²	71.1	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-65.1	-41.4	-179.3	-65.9	177	0	0	0	112.4	V238 V276 A290 M295 Q301 L302 V303 F525	V238-L299 HydrophobicContact CG2-CD1 4.26Å; V276-L299 HydrophobicContact CB-CB 4.46Å; V276-L299 HydrophobicContact CG1-CB 3.65Å; V276-L299 HydrophobicContact CG1-CD1 4.5Å; V276-L299 HydrophobicContact CG2-CB 3.91Å; V276-L299 HydrophobicContact CG2-CD1 3.64Å; V276-L299 HydrophobicContact CG2-CG 4.43Å; A290-L299 HydrophobicContact CB-CD1 4.39Å; M295-L299 HydrophobicContact CE-CD1 4.19Å; M295-L299 HydrophobicContact CE-CD2 3.9Å; M295-L299 HydrophobicContact CE-CG 4Å; M295-L299 HydrophobicContact CG-CD1 4.09Å; M295-L299 HydrophobicContact CG-CG 4.27Å; M295-L299 WeakPolarHBondContact O-CB 3.41Å; M295-L299 WeakPolarHBondContact O-CG 3.5Å; M295-L299 PolarHBondContact O-N 3.16Å; M295-L299 HydrophobicContact SD-CD1 4.44Å; M295-L299 HydrophobicContact SD-CD2 4.49Å; M295-L299 HydrophobicContact SD-CG 4.05Å; L299-Q301 PolarHBondContact O-N 3.45Å; L299-L302 HydrophobicContact CD2-CD1 4.13Å; L299-L302 PolarHBondContact O-N 2.74Å; L299-V303 WeakPolarHBondContact O-CG2 3.46Å; L299-V303 PolarHBondContact O-N 3.03Å; L299-F525 HydrophobicContact CD2-CE1 3.74Å; L299-F525 HydrophobicContact CD2-CZ 3.88Å
300	D	92.6	Very high	93.4	Very high	52 Å²	52	73.1 Å²	73.1	28%	0.278	34%	0.338	S	S	.	.	H	α-helix	trans	-56.9	-36.1	172.1	-79.8	-2.4	0	0	0	112.4	S296 R304	S296-D300 VanDerWaalsContact O-CB 3.25Å; S296-D300 WeakPolarHBondContact O-CB 3.27Å; S296-D300 PolarHBondContact O-N 2.95Å; D300-R304 WeakPolarHBondContact O-CG 3.21Å; D300-R304 PolarHBondContact O-N 3.11Å
301	Q	93.6	Very high	93.5	Very high	79 Å²	79	74.1 Å²	74.1	37%	0.369	34%	0.343	S	S	.	.	H	α-helix	trans	-71.4	-44.2	178.3	-169.2	59.6	30.3	0	0	111.4	K297 K298 L299 V303 R304 D305	K297-Q301 WeakPolarHBondContact O-CB 3.36Å; K297-Q301 PolarHBondContact O-N 3.25Å; K298-Q301 WeakPolarHBondContact O-CB 2.98Å; K298-Q301 PolarHBondContact O-N 3.12Å; K298-Q301 VanDerWaalsContact O-N 3.11Å; L299-Q301 PolarHBondContact O-N 3.45Å; Q301-V303 PolarHBondContact O-N 3.29Å; Q301-R304 PolarHBondContact O-N 2.66Å; Q301-R304 VanDerWaalsContact O-N 3.09Å; Q301-R304 VanDerWaalsContact OE1-CZ 3.3Å; Q301-D305 WeakPolarHBondContact CG-OD2 3.28Å; Q301-D305 PolarHBondContact NE2-OD1 2.74Å; Q301-D305 PolarHBondContact NE2-OD2 3.05Å; Q301-D305 WeakPolarHBondContact O-CB 3.13Å; Q301-D305 PolarHBondContact O-N 3.46Å
302	L	93.6	Very high	93.8	Very high	15 Å²	15	72.4 Å²	72.4	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-57.7	-37.6	173.7	-62	179.8	0	0	0	112.2	K298 L299 R306 Q307 L308 P523 F525	K298-L302 PolarHBondContact O-N 3.41Å; L299-L302 HydrophobicContact CD2-CD1 4.13Å; L299-L302 PolarHBondContact O-N 2.74Å; L302-R306 PolarHBondContact O-N 2.91Å; L302-Q307 HydrophobicContact CB-CB 4.38Å; L302-Q307 HydrophobicContact CD2-CB 4.06Å; L302-Q307 PolarHBondContact O-N 3.15Å; L302-L308 PolarHBondContact O-N 3.39Å; L302-P523 HydrophobicContact CD2-CG 4.07Å; L302-F525 HydrophobicContact CD1-CE1 3.78Å; L302-F525 HydrophobicContact CD1-CZ 4.36Å
303	V	90.8	Very high	94.2	Very high	66 Å²	66	70 Å²	70	40%	0.4	32%	0.322	S	S	.	.	H	α-helix	trans	-66.7	-43.9	174.7	174.1	0	0	0	0	111.6	V276 L299 Q301 R306 L308	V276-V303 HydrophobicContact CG1-CG2 4.4Å; L299-V303 WeakPolarHBondContact O-CG2 3.46Å; L299-V303 PolarHBondContact O-N 3.03Å; Q301-V303 PolarHBondContact O-N 3.29Å; V303-R306 PolarHBondContact O-N 3.24Å; V303-L308 HydrophobicContact CG2-CB 4.28Å; V303-L308 HydrophobicContact CG2-CD2 3.64Å
304	R	89.8	Confident	94.5	Very high	146 Å²	146	65.8 Å²	65.8	55%	0.551	30%	0.3	S	S	*	.	H	α-helix	trans	-63.4	-43.1	177.3	-78.5	-172.7	-69.3	-90.1	-2.5	112.3	D300 Q301 R306	D300-R304 WeakPolarHBondContact O-CG 3.21Å; D300-R304 PolarHBondContact O-N 3.11Å; Q301-R304 PolarHBondContact O-N 2.66Å; Q301-R304 VanDerWaalsContact O-N 3.09Å; Q301-R304 VanDerWaalsContact OE1-CZ 3.3Å; R304-R306 PolarHBondContact O-N 3.29Å
305	D	93	Very high	94.7	Very high	87 Å²	87	58.4 Å²	58.4	47%	0.465	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	4.4	-177	-62.4	-17.4	0	0	0	112.8	Q301 Q307	Q301-D305 WeakPolarHBondContact CG-OD2 3.28Å; Q301-D305 PolarHBondContact NE2-OD1 2.74Å; Q301-D305 PolarHBondContact NE2-OD2 3.05Å; Q301-D305 WeakPolarHBondContact O-CB 3.13Å; Q301-D305 PolarHBondContact O-N 3.46Å; D305-Q307 HydrophobicContact CB-CG 4.14Å; D305-Q307 PolarHBondContact O-N 3.15Å
306	R	90.8	Very high	94.9	Very high	187 Å²	187	57.6 Å²	57.6	71%	0.706	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	29.6	-178.6	-50.5	-175.3	-172.8	-177.1	2.2	113.8	L302 V303 R304	L302-R306 PolarHBondContact O-N 2.91Å; V303-R306 PolarHBondContact O-N 3.24Å; R304-R306 PolarHBondContact O-N 3.29Å
307	Q	93.9	Very high	94.9	Very high	96 Å²	96	61.4 Å²	61.4	45%	0.449	28%	0.278	S	S	.	.			trans	-90.4	-4.9	176	-64.4	-175.8	-34	0	0	113.2	L302 D305 P523	L302-Q307 HydrophobicContact CB-CB 4.38Å; L302-Q307 HydrophobicContact CD2-CB 4.06Å; L302-Q307 PolarHBondContact O-N 3.15Å; D305-Q307 HydrophobicContact CB-CG 4.14Å; D305-Q307 PolarHBondContact O-N 3.15Å; Q307-P523 HydrophobicContact CB-CG 4.28Å
308	L	94.8	Very high	94.9	Very high	21 Å²	21	56.5 Å²	56.5	11%	0.11	26%	0.264	C	S	.	.			trans	-92.9	101.1	168.1	-177	69.3	0	0	0	110	L302 V303 K310 Y520 K521 F525	L302-L308 PolarHBondContact O-N 3.39Å; V303-L308 HydrophobicContact CG2-CB 4.28Å; V303-L308 HydrophobicContact CG2-CD2 3.64Å; L308-K310 HydrophobicContact CD2-CG 4.33Å; L308-K310 HydrophobicContact CG-CG 4.22Å; L308-Y520 HydrophobicContact CD1-CD2 4.19Å; L308-Y520 HydrophobicContact CD2-CD2 3.93Å; L308-Y520 HydrophobicContact CD2-CE2 4.17Å; L308-Y520 HydrophobicContact CG-CD2 4.34Å; L308-K521 CarbonylContact C-O 3.59Å; L308-K521 WeakPolarHBondContact CA-O 3.45Å; L308-F525 HydrophobicContact CD1-CE2 3.94Å; L308-F525 HydrophobicContact CD1-CZ 3.84Å
309	E	96.4	Very high	95	Very high	128 Å²	128	57.1 Å²	57.1	60%	0.598	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.7	166.1	-67.8	175.5	-159.4	0	0	109.5	Y520 K521	E309-Y520 WeakPolarHBondContact O-CA 3.29Å; E309-K521 HydrophobicContact CB-CB 4.21Å; E309-K521 PolarHBondContact N-O 3.14Å; E309-K521 PolarHBondContact O-N 3.15Å
310	K	97.3	Very high	95.2	Very high	42 Å²	42	56.9 Å²	56.9	18%	0.183	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.8	176.4	-54.5	162.4	-73.2	160.9	0	108.3	L308 Y312 P370 T372 Y520	L308-K310 HydrophobicContact CD2-CG 4.33Å; L308-K310 HydrophobicContact CG-CG 4.22Å; K310-Y312 HydrophobicContact CB-CD2 4.46Å; K310-Y312 HydrophobicContact CB-CE2 3.82Å; K310-P370 HydrophobicContact CB-CG 4.46Å; K310-P370 WeakPolarHBondContact CE-O 3.44Å; K310-P370 PolarHBondContact NZ-O 3.15Å; K310-P370 WeakPolarHBondContact O-CD 3.45Å; K310-T372 PolarHBondContact NZ-O 3.38Å; K310-Y520 HydrophobicContact CB-CD1 4.38Å; K310-Y520 HydrophobicContact CB-CE1 4.12Å; K310-Y520 HydrophobicContact CD-CE2 4.28Å; K310-Y520 HydrophobicContact CG-CD1 4.41Å; K310-Y520 HydrophobicContact CG-CD2 4.17Å; K310-Y520 HydrophobicContact CG-CE1 4.14Å; K310-Y520 HydrophobicContact CG-CE2 3.92Å; K310-Y520 HydrophobicContact CG-CG 4.41Å
311	E	98.4	Very high	95.4	Very high	22 Å²	22	56.9 Å²	56.9	10%	0.103	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.6	179.7	179.1	167.5	165.9	0	0	109.7	R367 L369 L518 R519	E311-R367 VanDerWaalsContact CD-NE 3.27Å; E311-R367 VanDerWaalsContact CD-NH2 3.32Å; E311-R367 HydrophobicContact CG-CG 4.35Å; E311-R367 IonicContact OE1-CZ 2.7Å; E311-R367 IonicContact OE1-NE 3.66Å; E311-R367 PolarHBondContact OE1-NE 2.91Å; E311-R367 IonicContact OE1-NH2 2.71Å; E311-R367 PolarHBondContact OE1-NH2 3.48Å; E311-R367 IonicContact OE2-CZ 2.71Å; E311-R367 IonicContact OE2-NE 2.82Å; E311-R367 IonicContact OE2-NH2 3.48Å; E311-R367 PolarHBondContact OE2-NH2 3.3Å; E311-L369 HydrophobicContact CB-CD2 3.75Å; E311-L369 HydrophobicContact CG-CD2 3.81Å; E311-L518 PolarHBondContact O-N 3.21Å; E311-R519 HydrophobicContact CB-CB 4.23Å; E311-R519 PolarHBondContact N-O 3.39Å; E311-R519 PolarHBondContact O-N 2.7Å; E311-R519 IonicContact OE2-CZ 2.84Å; E311-R519 IonicContact OE2-NE 3.62Å; E311-R519 PolarHBondContact OE2-NE 2.73Å; E311-R519 IonicContact OE2-NH2 3.79Å; E311-R519 PolarHBondContact OE2-NH2 2.87Å
312	Y	98.8	Very high	95.5	Very high	26 Å²	26	60.6 Å²	60.6	10%	0.102	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	155.3	178.8	-65.1	-106.1	0	0	0	109.6	L279 T283 K310 C368 P370 I378 L515 H516 A517 Y520	L279-Y312 HydrophobicContact CD2-CE1 4.13Å; T283-Y312 HydrophobicContact CG2-CE1 4.43Å; K310-Y312 HydrophobicContact CB-CD2 4.46Å; K310-Y312 HydrophobicContact CB-CE2 3.82Å; Y312-C368 PolarHBondContact N-O 2.98Å; Y312-C368 PolarHBondContact O-N 2.88Å; Y312-P370 HydrophobicContact CD2-CG 3.86Å; Y312-P370 HydrophobicContact CE2-CG 3.68Å; Y312-I378 HydrophobicContact CD1-CD1 3.96Å; Y312-I378 HydrophobicContact CD2-CD1 3.5Å; Y312-I378 HydrophobicContact CE1-CD1 4.41Å; Y312-I378 HydrophobicContact CE2-CD1 4Å; Y312-I378 HydrophobicContact CG-CD1 3.48Å; Y312-I378 VanDerWaalsContact CG-CD1 3.48Å; Y312-L515 HydrophobicContact CD1-CD1 4.01Å; Y312-L515 HydrophobicContact CD1-CG 4.48Å; Y312-L515 HydrophobicContact CG-CD1 4.43Å; Y312-H516 CarbonylContact C-O 3.4Å; Y312-H516 WeakPolarHBondContact CA-O 3.49Å; Y312-H516 WeakPolarHBondContact CB-O 3.43Å; Y312-A517 HydrophobicContact CD1-CB 3.94Å; Y312-A517 HydrophobicContact CE1-CB 3.63Å; Y312-Y520 PolarHBondContact OH-OH 3.08Å
313	V	98.6	Very high	95.5	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.6	163.5	65.2	0	0	0	0	108.8	L357 V365 V366 H516 L518 L531 W534 A535	V313-L357 HydrophobicContact CG2-CD1 4.33Å; V313-V365 HydrophobicContact CG2-CG1 3.39Å; V313-V366 WeakPolarHBondContact CA-O 3.4Å; V313-H516 HydrophobicContact CG1-CB 3.95Å; V313-H516 PolarHBondContact N-O 3.04Å; V313-H516 PolarHBondContact O-N 3.49Å; V313-L518 HydrophobicContact CG1-CB 4.47Å; V313-L531 HydrophobicContact CB-CD1 4.39Å; V313-L531 HydrophobicContact CG1-CD1 3.96Å; V313-L531 HydrophobicContact CG2-CD1 4.29Å; V313-W534 HydrophobicContact CG1-CH2 4.2Å; V313-A535 HydrophobicContact CG1-CB 4.41Å; V313-A535 HydrophobicContact CG2-CB 3.98Å
314	C	98.3	Very high	95.8	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	159.1	171.3	63.4	0	0	0	0	111.4	V365 V366 C368 L382 I389 Y514 L515	C314-V365 WeakPolarHBondContact O-CA 3.49Å; C314-V366 PolarHBondContact N-O 2.92Å; C314-V366 PolarHBondContact O-N 2.71Å; C314-C368 PolarHBondContact SG-SG 2.93Å; C314-L382 WeakPolarHBondContact SG-CD1 3.37Å; C314-I389 HydrophobicContact CB-CD1 4.06Å; C314-I389 HydrophobicContact CB-CG1 4.34Å; C314-I389 HydrophobicContact CB-CG2 4.29Å; C314-Y514 CarbonylContact C-O 3.58Å; C314-Y514 WeakPolarHBondContact CA-O 3.37Å; C314-Y514 WeakPolarHBondContact CB-O 3.36Å; C314-L515 HydrophobicContact CB-CB 4.38Å; C314-L515 HydrophobicContact CB-CD1 3.85Å
315	R	98	Very high	96.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.1	167.1	-170.9	177.2	-74.4	-99.4	-1.5	109.7	N360 T363 S364 V365 L390 Y514 W534 E536	R315-N360 PolarHBondContact NH1-ND2 2.93Å; R315-N360 VanDerWaalsContact NH1-ND2 3.18Å; R315-T363 PolarHBondContact NH1-OG1 3.07Å; R315-S364 WeakPolarHBondContact CA-O 3.3Å; R315-V365 VanDerWaalsContact NH2-CG2 3.3Å; R315-L390 HydrophobicContact CB-CD1 4.26Å; R315-L390 HydrophobicContact CG-CD1 3.63Å; R315-L390 HydrophobicContact CG-CG 4.49Å; R315-L390 PolarHBondContact O-N 3.27Å; R315-Y514 HydrophobicContact CB-CD2 4.35Å; R315-Y514 PolarHBondContact N-O 3.5Å; R315-W534 HydrophobicContact CB-CE3 4.11Å; R315-W534 HydrophobicContact CB-CZ3 4.28Å; R315-W534 PolarHBondContact NE-O 3.36Å; R315-W534 PolarHBondContact NH2-O 3.22Å; R315-E536 PolarHBondContact NH2-O 2.57Å
316	V	97.6	Very high	96.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	154.5	-177.1	-58	0	0	0	0	111.2	F320 T363 S364 V366 L382 F387 P388 I389	V316-F320 HydrophobicContact CG2-CB 4.22Å; V316-F320 HydrophobicContact CG2-CD2 4.27Å; V316-T363 WeakPolarHBondContact O-CA 3.3Å; V316-T363 WeakPolarHBondContact O-CB 3.3Å; V316-S364 PolarHBondContact N-O 3.35Å; V316-S364 PolarHBondContact O-N 2.92Å; V316-V366 HydrophobicContact CG1-CG2 4.37Å; V316-V366 HydrophobicContact CG2-CG2 3.72Å; V316-L382 HydrophobicContact CG1-CD1 3.88Å; V316-L382 HydrophobicContact CG1-CD2 4.21Å; V316-F387 HydrophobicContact CB-CB 4.11Å; V316-F387 WeakPolarHBondContact CB-O 3.14Å; V316-F387 WeakPolarHBondContact CG1-O 2.99Å; V316-F387 HydrophobicContact CG2-CB 4.05Å; V316-P388 WeakPolarHBondContact CA-O 3.43Å; V316-I389 HydrophobicContact CG1-CG1 4.43Å
317	E	94.4	Very high	96.8	Very high	90 Å²	90	50.7 Å²	50.7	42%	0.421	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	139.3	174	-167.8	172.1	131.1	0	0	111.7	F387 P388 L390 R404	E317-F387 WeakPolarHBondContact O-CD1 3.35Å; E317-P388 PolarHBondContact N-O 3.39Å; E317-P388 VanDerWaalsContact N-O 3.14Å; E317-L390 HydrophobicContact CB-CD2 3.89Å; E317-L390 HydrophobicContact CG-CD2 4.48Å; E317-R404 VanDerWaalsContact CD-NH1 3.33Å; E317-R404 IonicContact OE1-NH1 2.62Å; E317-R404 PolarHBondContact OE1-NH1 2.8Å; E317-R404 IonicContact OE2-CZ 3.33Å; E317-R404 IonicContact OE2-NH1 3.84Å; E317-R404 PolarHBondContact OE2-NH1 3.18Å; E317-R404 IonicContact OE2-NH2 3.4Å
318	G	94.4	Very high	97.1	Very high	26 Å²	26	51.7 Å²	51.7	27%	0.268	27%	0.268	S	S	.	.	S	Bend	trans	79.2	-173.1	175.7	0	0	0	0	0	114.5	F320 K362 T363 S364	G318-F320 PolarHBondContact O-N 2.88Å; G318-K362 WeakPolarHBondContact CA-O 3.49Å; G318-K362 PolarHBondContact N-O 2.79Å; G318-T363 CarbonylContact O-C 3.56Å; G318-S364 PolarHBondContact O-N 2.95Å; G318-S364 PolarHBondContact O-OG 3.23Å
319	E	96.9	Very high	97.2	Very high	110 Å²	110	53.8 Å²	53.8	51%	0.514	28%	0.277	S	S	.	.			trans	-89.5	99.5	-179.3	-168	172.1	-169.3	0	0	111	R356 F359 F387	E319-R356 IonicContact OE1-CZ 3.64Å; E319-R356 IonicContact OE1-NH1 3.6Å; E319-R356 PolarHBondContact OE1-NH1 3.24Å; E319-R356 IonicContact OE1-NH2 2.8Å; E319-F359 HydrophobicContact CB-CD1 4.5Å; E319-F359 HydrophobicContact CB-CD2 4.14Å; E319-F359 HydrophobicContact CB-CE1 4.03Å; E319-F359 HydrophobicContact CB-CE2 3.65Å; E319-F359 HydrophobicContact CB-CZ 3.59Å; E319-F359 HydrophobicContact CG-CD1 3.84Å; E319-F359 HydrophobicContact CG-CD2 4.06Å; E319-F359 HydrophobicContact CG-CE1 3.75Å; E319-F359 HydrophobicContact CG-CE2 4Å; E319-F359 HydrophobicContact CG-CG 4Å; E319-F359 HydrophobicContact CG-CZ 3.84Å; E319-F387 WeakPolarHBondContact O-CE1 3.44Å
320	F	98.1	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-64.3	144.2	173.5	-162.9	-93.5	0	0	0	110.3	V316 G318 L325 F354 R356 S364 V366 L382 L385 F387	V316-F320 HydrophobicContact CG2-CB 4.22Å; V316-F320 HydrophobicContact CG2-CD2 4.27Å; G318-F320 PolarHBondContact O-N 2.88Å; F320-L325 HydrophobicContact CE1-CB 4.18Å; F320-L325 HydrophobicContact CE1-CD1 4.34Å; F320-L325 HydrophobicContact CZ-CB 4.25Å; F320-L325 HydrophobicContact CZ-CD1 4.01Å; F320-L325 HydrophobicContact CZ-CD2 4.49Å; F320-L325 HydrophobicContact CZ-CG 4.49Å; F320-F354 HydrophobicContact CE1-CB 3.86Å; F320-F354 HydrophobicContact CZ-CB 3.57Å; F320-F354 HydrophobicContact CZ-CG 4.1Å; F320-R356 HydrophobicContact CD1-CB 4.23Å; F320-R356 VanDerWaalsContact O-CD 3.31Å; F320-R356 WeakPolarHBondContact O-CD 3.43Å; F320-R356 PolarHBondContact O-NH1 3.3Å; F320-S364 PolarHBondContact N-OG 2.97Å; F320-V366 HydrophobicContact CB-CG2 3.83Å; F320-V366 HydrophobicContact CD1-CG1 4.37Å; F320-V366 HydrophobicContact CD1-CG2 4Å; F320-V366 HydrophobicContact CD2-CG2 3.97Å; F320-V366 HydrophobicContact CE1-CG1 4.23Å; F320-V366 HydrophobicContact CG-CG2 3.65Å; F320-V366 HydrophobicContact CZ-CG1 4.35Å; F320-L382 HydrophobicContact CD2-CD2 4.43Å; F320-L382 HydrophobicContact CE2-CD2 3.74Å; F320-L382 HydrophobicContact CZ-CD2 4.42Å; F320-L385 HydrophobicContact CE2-CD1 4.37Å; F320-L385 HydrophobicContact CZ-CD1 4.45Å; F320-F387 HydrophobicContact CD2-CB 3.88Å; F320-F387 HydrophobicContact CD2-CD1 4.25Å; F320-F387 AromaticContact CD2-CD2 3.68Å; F320-F387 HydrophobicContact CD2-CD2 3.68Å; F320-F387 HydrophobicContact CD2-CE2 4.28Å; F320-F387 AromaticContact CD2-CG 3.67Å; F320-F387 HydrophobicContact CD2-CG 3.67Å; F320-F387 HydrophobicContact CE2-CB 4.33Å; F320-F387 AromaticContact CE2-CD2 3.89Å; F320-F387 HydrophobicContact CE2-CD2 3.89Å; F320-F387 HydrophobicContact CE2-CG 4.24Å
321	P	97.3	Very high	97.3	Very high	53 Å²	53	47.3 Å²	47.3	34%	0.344	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-59.6	152.6	-178.8	-27.2	36.8	0	0	0	114.3	L325 F387	P321-L325 HydrophobicContact CB-CD1 4.4Å; P321-L325 HydrophobicContact CG-CD1 3.99Å; P321-F387 HydrophobicContact CG-CE2 4.28Å; P321-F387 HydrophobicContact CG-CZ 4.28Å
322	E	94.3	Very high	97.2	Very high	157 Å²	157	48.6 Å²	48.6	73%	0.734	26%	0.257	S	S	*	.	S	Bend	trans	-74.5	154.8	170.6	-63.3	-160.2	146.4	0	0	112.7	R356	E322-R356 VanDerWaalsContact CG-NH2 3.27Å; E322-R356 IonicContact OE1-CZ 3.42Å; E322-R356 IonicContact OE1-NH2 3.49Å; E322-R356 PolarHBondContact OE1-NH2 2.71Å
323	G	94.6	Very high	96.9	Very high	46 Å²	46	49.7 Å²	49.7	47%	0.474	27%	0.266	S	S	.	.	S	Bend	trans	84	-163.5	-178.9	0	0	0	0	0	113.6
324	E	97.1	Very high	96.5	Very high	126 Å²	126	51.3 Å²	51.3	59%	0.589	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.7	175.5	-173	177.7	118.7	0	0	109.9	I326 V353 F354	E324-I326 HydrophobicContact CG-CG1 4.43Å; E324-V353 HydrophobicContact CG-CG1 3.31Å; E324-V353 WeakPolarHBondContact OE1-CG1 3.33Å; E324-F354 WeakPolarHBondContact CA-O 3.16Å
325	L	98.2	Very high	95.9	Very high	40 Å²	40	52.3 Å²	52.3	21%	0.209	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.4	175.6	-171.8	161.5	0	0	0	109.2	F320 P321 F354 L385	F320-L325 HydrophobicContact CE1-CB 4.18Å; F320-L325 HydrophobicContact CE1-CD1 4.34Å; F320-L325 HydrophobicContact CZ-CB 4.25Å; F320-L325 HydrophobicContact CZ-CD1 4.01Å; F320-L325 HydrophobicContact CZ-CD2 4.49Å; F320-L325 HydrophobicContact CZ-CG 4.49Å; P321-L325 HydrophobicContact CB-CD1 4.4Å; P321-L325 HydrophobicContact CG-CD1 3.99Å; L325-F354 HydrophobicContact CB-CB 4.47Å; L325-F354 HydrophobicContact CD2-CD2 4.23Å; L325-F354 PolarHBondContact N-O 3.33Å; L325-F354 WeakPolarHBondContact O-CB 3.42Å; L325-F354 PolarHBondContact O-N 3.41Å; L325-L385 HydrophobicContact CD1-CD2 4.46Å; L325-L385 HydrophobicContact CD2-CD1 3.46Å; L325-L385 VanDerWaalsContact CD2-CD1 3.46Å; L325-L385 HydrophobicContact CD2-CD2 3.78Å; L325-L385 HydrophobicContact CD2-CG 4.27Å
326	I	98.6	Very high	95	Very high	74 Å²	74	59.8 Å²	59.8	38%	0.379	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.6	179.5	-51.5	171.2	0	0	0	108.7	E324 E328 R351 V353	E324-I326 HydrophobicContact CG-CG1 4.43Å; I326-E328 HydrophobicContact CG2-CG 3.85Å; I326-R351 HydrophobicContact CG2-CG 4.01Å; I326-V353 HydrophobicContact CG1-CG1 4.47Å; I326-V353 HydrophobicContact CG1-CG2 4.34Å
327	C	98.3	Very high	93.8	Very high	6 Å²	6	67.8 Å²	67.8	4%	0.041	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.4	171.3	-176	0	0	0	0	109.5	R351 T352 F354 H381 L385	C327-R351 WeakPolarHBondContact O-CA 3.4Å; C327-T352 PolarHBondContact N-O 3.14Å; C327-T352 PolarHBondContact O-N 2.82Å; C327-F354 HydrophobicContact CB-CD2 4.47Å; C327-F354 HydrophobicContact CB-CE2 3.99Å; C327-H381 VanDerWaalsContact C-CE1 3.44Å; C327-H381 HydrophobicContact CB-CB 4.27Å; C327-H381 WeakPolarHBondContact CB-CE1 3.27Å; C327-H381 PolarHBondContact O-CE1 2.82Å; C327-H381 PolarHBondContact O-ND1 3.07Å; C327-H381 PolarHBondContact O-NE2 3.1Å; C327-H381 PolarHBondContact SG-CE1 2.96Å; C327-L385 HydrophobicContact CB-CD1 4.26Å
328	E	98.3	Very high	92.8	Very high	117 Å²	117	64.3 Å²	64.3	55%	0.547	34%	0.335	S	S	.	.			trans	-114	12	-176.8	-59.2	-166.9	130.8	0	0	113.2	I326 C350 R351	I326-E328 HydrophobicContact CG2-CG 3.85Å; E328-C350 CarbonylContact C-O 3.54Å; E328-C350 WeakPolarHBondContact CA-O 3.49Å; E328-R351 HydrophobicContact CG-CB 4.26Å; E328-R351 HydrophobicContact CG-CG 4Å; E328-R351 WeakPolarHBondContact OE1-CD 3.38Å; E328-R351 IonicContact OE1-CZ 3.51Å; E328-R351 IonicContact OE1-NE 3.38Å; E328-R351 IonicContact OE1-NH1 2.89Å; E328-R351 PolarHBondContact OE1-NH1 2.9Å
329	E	98.1	Very high	92.2	Very high	66 Å²	66	63.9 Å²	63.9	31%	0.308	33%	0.331	S	S	.	.			trans	-62.2	132.3	-175.8	-68.6	-62.7	159.1	0	0	112.6	V343 C350 Y384	E329-V343 HydrophobicContact CB-CB 4.4Å; E329-V343 HydrophobicContact CB-CG1 3.74Å; E329-V343 HydrophobicContact CB-CG2 3.73Å; E329-V343 HydrophobicContact CG-CG1 4.14Å; E329-V343 HydrophobicContact CG-CG2 4.44Å; E329-C350 PolarHBondContact O-SG 3.34Å; E329-Y384 HydrophobicContact CG-CD1 3.98Å; E329-Y384 HydrophobicContact CG-CE1 3.58Å; E329-Y384 HydrophobicContact CG-CE2 4.18Å; E329-Y384 HydrophobicContact CG-CG 4.48Å; E329-Y384 PolarHBondContact OE1-OH 2.83Å; E329-Y384 VanDerWaalsContact OE1-OH 3.06Å
330	P	97.8	Very high	91.9	Very high	27 Å²	27	58.7 Å²	58.7	18%	0.175	31%	0.306	C	S	.	.			trans	-70.5	139.1	178.9	-16.4	30.1	0	0	0	112.5	V343 D344	P330-V343 WeakPolarHBondContact O-CA 3.27Å; P330-D344 PolarHBondContact O-N 3.06Å
331	I	97.5	Very high	91.7	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.036	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.4	-179.6	-66.3	174.9	0	0	0	111.6	C341 R342 G347 K348 C350 R374 Q377 V380	I331-C341 HydrophobicContact CG2-CB 3.69Å; I331-R342 WeakPolarHBondContact CA-O 3.4Å; I331-G347 CarbonylContact O-C 3.57Å; I331-G347 VanDerWaalsContact O-CA 3.29Å; I331-G347 WeakPolarHBondContact O-CA 3.42Å; I331-K348 PolarHBondContact N-O 2.81Å; I331-K348 VanDerWaalsContact N-O 3.07Å; I331-K348 PolarHBondContact O-N 3.39Å; I331-C350 VanDerWaalsContact CG1-SG 3.54Å; I331-R374 HydrophobicContact CD1-CB 4.46Å; I331-Q377 HydrophobicContact CD1-CB 4.16Å; I331-Q377 HydrophobicContact CD1-CG 3.98Å; I331-V380 HydrophobicContact CD1-CB 3.91Å; I331-V380 HydrophobicContact CD1-CG1 3.95Å; I331-V380 HydrophobicContact CD1-CG2 4.5Å; I331-V380 HydrophobicContact CG1-CB 4.42Å; I331-V380 HydrophobicContact CG1-CG1 3.92Å
332	L	95.5	Very high	91.6	Very high	49 Å²	49	58.6 Å²	58.6	26%	0.257	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	140.2	171.2	-179.4	64.9	0	0	0	110.5	C341 R342 D344	L332-C341 CarbonylContact O-C 3.52Å; L332-C341 WeakPolarHBondContact O-CA 3.45Å; L332-C341 WeakPolarHBondContact O-CB 3.27Å; L332-R342 PolarHBondContact N-O 3.18Å; L332-R342 PolarHBondContact O-N 3.24Å; L332-D344 HydrophobicContact CB-CB 3.67Å; L332-D344 HydrophobicContact CD2-CB 3.93Å; L332-D344 HydrophobicContact CG-CB 4.46Å
333	V	94.2	Very high	91.7	Very high	48 Å²	48	52 Å²	52	29%	0.291	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116	168.7	-176.4	0	0	0	0	107.8	F336	V333-F336 HydrophobicContact CB-CE1 4.25Å; V333-F336 HydrophobicContact CB-CZ 4.27Å; V333-F336 HydrophobicContact CG1-CD1 3.86Å; V333-F336 HydrophobicContact CG1-CD2 4.47Å; V333-F336 HydrophobicContact CG1-CE1 3.8Å; V333-F336 HydrophobicContact CG1-CE2 4.41Å; V333-F336 HydrophobicContact CG1-CG 4.21Å; V333-F336 HydrophobicContact CG1-CZ 4.08Å
334	V	90.4	Very high	91.7	Very high	36 Å²	36	50.8 Å²	50.8	22%	0.218	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-50.2	-179.1	177.9	0	0	0	0	110.4	L340 R342 D414	V334-L340 HydrophobicContact CB-CD2 4.21Å; V334-L340 HydrophobicContact CB-CG 4.14Å; V334-L340 HydrophobicContact CG1-CD2 4.1Å; V334-L340 PolarHBondContact N-O 3.33Å; V334-R342 HydrophobicContact CG2-CB 4.37Å; V334-R342 HydrophobicContact CG2-CG 3.78Å; V334-D414 HydrophobicContact CG1-CB 3.61Å; V334-D414 VanDerWaalsContact CG1-CG 3.45Å; V334-D414 WeakPolarHBondContact CG1-OD1 3.39Å
335	S	85.4	Confident	91.5	Very high	20 Å²	20	50.7 Å²	50.7	14%	0.14	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	112.6	-179.4	-179.6	0	0	0	0	111.6	K337 G339 L340	S335-K337 PolarHBondContact O-N 3.22Å; S335-K337 PolarHBondContact OG-N 2.89Å; S335-G339 CarbonylContact O-C 3.58Å; S335-G339 WeakPolarHBondContact O-CA 3.33Å; S335-G339 PolarHBondContact O-N 2.85Å; S335-L340 PolarHBondContact N-O 3.19Å; S335-L340 PolarHBondContact O-N 2.9Å; S335-L340 VanDerWaalsContact O-N 3.13Å
336	F	78	Confident	91.4	Very high	158 Å²	158	57.4 Å²	57.4	69%	0.693	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.2	173.9	-65.6	-81.8	0	0	0	113.4	V333	V333-F336 HydrophobicContact CB-CE1 4.25Å; V333-F336 HydrophobicContact CB-CZ 4.27Å; V333-F336 HydrophobicContact CG1-CD1 3.86Å; V333-F336 HydrophobicContact CG1-CD2 4.47Å; V333-F336 HydrophobicContact CG1-CE1 3.8Å; V333-F336 HydrophobicContact CG1-CE2 4.41Å; V333-F336 HydrophobicContact CG1-CG 4.21Å; V333-F336 HydrophobicContact CG1-CZ 4.08Å
337	K	72.6	Confident	91.2	Very high	167 Å²	167	54.6 Å²	54.6	73%	0.726	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-42.7	-179.9	-72	-176.2	174.7	-177	0	112.1	S335	S335-K337 PolarHBondContact O-N 3.22Å; S335-K337 PolarHBondContact OG-N 2.89Å
338	I	73.3	Confident	91.1	Very high	17 Å²	17	61 Å²	61	9%	0.087	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	3.3	-177.8	60.3	156.7	0	0	0	113.6	L340 L418 F436	I338-L340 HydrophobicContact CD1-CB 3.57Å; I338-L340 HydrophobicContact CD1-CD2 4.13Å; I338-L340 HydrophobicContact CD1-CG 4.36Å; I338-L340 HydrophobicContact CG1-CB 3.69Å; I338-L340 PolarHBondContact O-N 2.92Å; I338-L418 HydrophobicContact CD1-CD1 3.32Å; I338-L418 HydrophobicContact CG1-CD1 3.9Å; I338-F436 HydrophobicContact CG2-CD1 3.9Å; I338-F436 HydrophobicContact CG2-CE1 3.26Å; I338-F436 HydrophobicContact CG2-CZ 3.74Å
339	G	82.5	Confident	91.1	Very high	18 Å²	18	63 Å²	63	19%	0.186	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	15.8	-175.2	0	0	0	0	0	114.6	S335 C341 H376	S335-G339 CarbonylContact O-C 3.58Å; S335-G339 WeakPolarHBondContact O-CA 3.33Å; S335-G339 PolarHBondContact O-N 2.85Å; G339-C341 PolarHBondContact O-N 2.97Å; G339-C341 PolarHBondContact O-SG 3.32Å; G339-H376 PolarHBondContact O-CE1 2.72Å; G339-H376 PolarHBondContact O-ND1 2.87Å
340	L	90.7	Very high	91.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	125.1	-179.1	-179.9	65	0	0	0	110.2	V334 S335 I338 I394 Y395 W400 L417 L421	V334-L340 HydrophobicContact CB-CD2 4.21Å; V334-L340 HydrophobicContact CB-CG 4.14Å; V334-L340 HydrophobicContact CG1-CD2 4.1Å; V334-L340 PolarHBondContact N-O 3.33Å; S335-L340 PolarHBondContact N-O 3.19Å; S335-L340 PolarHBondContact O-N 2.9Å; S335-L340 VanDerWaalsContact O-N 3.13Å; I338-L340 HydrophobicContact CD1-CB 3.57Å; I338-L340 HydrophobicContact CD1-CD2 4.13Å; I338-L340 HydrophobicContact CD1-CG 4.36Å; I338-L340 HydrophobicContact CG1-CB 3.69Å; I338-L340 PolarHBondContact O-N 2.92Å; L340-I394 HydrophobicContact CD1-CG2 3.78Å; L340-Y395 HydrophobicContact CD1-CE1 4.39Å; L340-W400 HydrophobicContact CD1-CH2 3.79Å; L340-W400 HydrophobicContact CD1-CZ2 3.44Å; L340-W400 VanDerWaalsContact CD1-CZ2 3.44Å; L340-L417 HydrophobicContact CD2-CD2 4.09Å; L340-L417 HydrophobicContact CD2-CG 4.46Å; L340-L421 HydrophobicContact CD1-CD1 3.98Å; L340-L421 HydrophobicContact CD2-CD1 4.14Å
341	C	94.3	Very high	91.1	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	156.4	176.7	-56.8	0	0	0	0	109	I331 L332 G339 V380 Y395	I331-C341 HydrophobicContact CG2-CB 3.69Å; L332-C341 CarbonylContact O-C 3.52Å; L332-C341 WeakPolarHBondContact O-CA 3.45Å; L332-C341 WeakPolarHBondContact O-CB 3.27Å; G339-C341 PolarHBondContact O-N 2.97Å; G339-C341 PolarHBondContact O-SG 3.32Å; C341-V380 HydrophobicContact CB-CG2 3.94Å; C341-Y395 PolarHBondContact N-OH 3.49Å; C341-Y395 VanDerWaalsContact N-OH 3.15Å; C341-Y395 VanDerWaalsContact O-CE1 3.3Å; C341-Y395 WeakPolarHBondContact O-CE1 3.16Å; C341-Y395 PolarHBondContact O-OH 3.33Å
342	R	94.3	Very high	91.1	Very high	52 Å²	52	62.8 Å²	62.8	20%	0.196	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	164.9	171.3	71.6	167.8	-176.3	-135.4	-13.1	111	I331 L332 V334 D344 W400 D414	I331-R342 WeakPolarHBondContact CA-O 3.4Å; L332-R342 PolarHBondContact N-O 3.18Å; L332-R342 PolarHBondContact O-N 3.24Å; V334-R342 HydrophobicContact CG2-CB 4.37Å; V334-R342 HydrophobicContact CG2-CG 3.78Å; R342-D344 HydrophobicContact CG-CB 4.24Å; R342-D344 IonicContact CZ-OD2 3.15Å; R342-D344 VanDerWaalsContact CZ-OD2 3.32Å; R342-D344 IonicContact NE-OD2 3.53Å; R342-D344 PolarHBondContact NE-OD2 3.29Å; R342-D344 IonicContact NH2-OD2 3.96Å; R342-D344 PolarHBondContact NH2-OD2 2.76Å; R342-W400 HydrophobicContact CB-CH2 4.3Å; R342-W400 HydrophobicContact CB-CZ3 4.37Å; R342-D414 IonicContact CZ-OD1 3.63Å; R342-D414 IonicContact CZ-OD2 2.67Å; R342-D414 IonicContact NH1-OD1 3.56Å; R342-D414 PolarHBondContact NH1-OD1 2.89Å; R342-D414 IonicContact NH1-OD2 2.77Å; R342-D414 IonicContact NH2-OD1 2.75Å; R342-D414 IonicContact NH2-OD2 3.17Å
343	V	95.7	Very high	91.3	Very high	19 Å²	19	61 Å²	61	12%	0.115	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.4	160.5	169.9	0	0	0	0	109	E329 P330 V380 Y384	E329-V343 HydrophobicContact CB-CB 4.4Å; E329-V343 HydrophobicContact CB-CG1 3.74Å; E329-V343 HydrophobicContact CB-CG2 3.73Å; E329-V343 HydrophobicContact CG-CG1 4.14Å; E329-V343 HydrophobicContact CG-CG2 4.44Å; P330-V343 WeakPolarHBondContact O-CA 3.27Å; V343-V380 HydrophobicContact CG2-CG1 3.97Å; V343-Y384 HydrophobicContact CB-CD2 3.65Å; V343-Y384 HydrophobicContact CB-CE2 4.13Å; V343-Y384 HydrophobicContact CB-CG 4.36Å; V343-Y384 HydrophobicContact CG1-CD2 3.74Å; V343-Y384 HydrophobicContact CG1-CE2 3.68Å; V343-Y384 HydrophobicContact CG2-CD2 3.59Å; V343-Y384 HydrophobicContact CG2-CE2 4.34Å; V343-Y384 HydrophobicContact CG2-CG 3.79Å
344	D	94.3	Very high	91.5	Very high	19 Å²	19	58.8 Å²	58.8	10%	0.102	29%	0.287	C	S	.	.			trans	-158.1	136.3	178.1	-169.3	-59.9	0	0	0	108.5	P330 L332 R342 K346 G347	P330-D344 PolarHBondContact O-N 3.06Å; L332-D344 HydrophobicContact CB-CB 3.67Å; L332-D344 HydrophobicContact CD2-CB 3.93Å; L332-D344 HydrophobicContact CG-CB 4.46Å; R342-D344 HydrophobicContact CG-CB 4.24Å; R342-D344 IonicContact CZ-OD2 3.15Å; R342-D344 VanDerWaalsContact CZ-OD2 3.32Å; R342-D344 IonicContact NE-OD2 3.53Å; R342-D344 PolarHBondContact NE-OD2 3.29Å; R342-D344 IonicContact NH2-OD2 3.96Å; R342-D344 PolarHBondContact NH2-OD2 2.76Å; D344-K346 PolarHBondContact O-N 2.75Å; D344-K346 WeakPolarHBondContact OD1-CB 3.24Å; D344-K346 PolarHBondContact OD1-N 3.03Å; D344-G347 WeakPolarHBondContact O-CA 3.4Å; D344-G347 PolarHBondContact O-N 3.19Å
345	P	94.1	Very high	91.9	Very high	125 Å²	125	60.8 Å²	60.8	81%	0.812	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.7	176.8	-26.9	35.9	0	0	0	115.1	G347	P345-G347 VanDerWaalsContact C-N 3.26Å
346	K	94.8	Very high	92.5	Very high	180 Å²	180	62 Å²	62	78%	0.783	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.7	173	-58.7	171.8	-176.5	171.6	0	113.1	D344	D344-K346 PolarHBondContact O-N 2.75Å; D344-K346 WeakPolarHBondContact OD1-CB 3.24Å; D344-K346 PolarHBondContact OD1-N 3.03Å
347	G	95.7	Very high	93.4	Very high	16 Å²	16	59 Å²	59	17%	0.165	29%	0.286	C	S	.	.	S	Bend	trans	-69.1	175	178.2	0	0	0	0	0	113.4	I331 D344 P345	I331-G347 CarbonylContact O-C 3.57Å; I331-G347 VanDerWaalsContact O-CA 3.29Å; I331-G347 WeakPolarHBondContact O-CA 3.42Å; D344-G347 WeakPolarHBondContact O-CA 3.4Å; D344-G347 PolarHBondContact O-N 3.19Å; P345-G347 VanDerWaalsContact C-N 3.26Å
348	K	96.8	Very high	94.6	Very high	140 Å²	140	52 Å²	52	61%	0.609	26%	0.258	S	S	*	.	B	Isolated β-bridge	trans	-90.1	128.1	173	-64.8	-178.5	179.6	178.3	0	109.1	I331 C350	I331-K348 PolarHBondContact N-O 2.81Å; I331-K348 VanDerWaalsContact N-O 3.07Å; I331-K348 PolarHBondContact O-N 3.39Å; K348-C350 PolarHBondContact O-N 2.82Å; K348-C350 PolarHBondContact O-SG 2.66Å
349	E	97.4	Very high	95.7	Very high	158 Å²	158	54.2 Å²	54.2	74%	0.738	27%	0.267	S	S	*	.			trans	-47.6	136.2	174.3	-64	177.9	167.1	0	0	112	R374	E349-R374 PolarHBondContact O-NE 3.12Å; E349-R374 PolarHBondContact O-NH2 3.48Å
350	C	97.3	Very high	96.3	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.041	27%	0.27	C	S	.	.			trans	-155.9	151.8	175.4	39.7	0	0	0	0	110.7	E328 E329 I331 K348 T372 R374 Q377 H381	E328-C350 CarbonylContact C-O 3.54Å; E328-C350 WeakPolarHBondContact CA-O 3.49Å; E329-C350 PolarHBondContact O-SG 3.34Å; I331-C350 VanDerWaalsContact CG1-SG 3.54Å; K348-C350 PolarHBondContact O-N 2.82Å; K348-C350 PolarHBondContact O-SG 2.66Å; C350-T372 WeakPolarHBondContact CA-OG1 3.15Å; C350-T372 WeakPolarHBondContact CB-OG1 3.33Å; C350-R374 HydrophobicContact CB-CG 3.55Å; C350-Q377 HydrophobicContact CB-CG 4.24Å; C350-H381 PolarHBondContact O-NE2 3.46Å
351	R	97.9	Very high	96.4	Very high	91 Å²	91	58.4 Å²	58.4	34%	0.343	30%	0.299	S	S	.	.			trans	-130.3	131.7	-179.5	176.6	176.6	178.3	146.9	-12.4	110.2	I326 C327 E328 L371 T372 Q377	I326-R351 HydrophobicContact CG2-CG 4.01Å; C327-R351 WeakPolarHBondContact O-CA 3.4Å; E328-R351 HydrophobicContact CG-CB 4.26Å; E328-R351 HydrophobicContact CG-CG 4Å; E328-R351 WeakPolarHBondContact OE1-CD 3.38Å; E328-R351 IonicContact OE1-CZ 3.51Å; E328-R351 IonicContact OE1-NE 3.38Å; E328-R351 IonicContact OE1-NH1 2.89Å; E328-R351 PolarHBondContact OE1-NH1 2.9Å; R351-L371 HydrophobicContact CG-CD1 4.16Å; R351-L371 PolarHBondContact O-N 3.13Å; R351-T372 PolarHBondContact N-OG1 2.95Å; R351-T372 PolarHBondContact O-OG1 2.63Å; R351-Q377 PolarHBondContact O-NE2 2.96Å
352	T	98.6	Very high	96.4	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.2	171.7	-46.6	0	0	0	0	108.7	C327 F354 C368 P370 Q377 I378 H381	C327-T352 PolarHBondContact N-O 3.14Å; C327-T352 PolarHBondContact O-N 2.82Å; T352-F354 HydrophobicContact CG2-CD1 4.25Å; T352-F354 HydrophobicContact CG2-CD2 4.29Å; T352-F354 HydrophobicContact CG2-CE1 3.63Å; T352-F354 HydrophobicContact CG2-CE2 3.7Å; T352-F354 HydrophobicContact CG2-CZ 3.33Å; T352-C368 HydrophobicContact CG2-CB 4.5Å; T352-P370 HydrophobicContact CG2-CB 4.36Å; T352-Q377 PolarHBondContact OG1-NE2 3.07Å; T352-I378 HydrophobicContact CG2-CG1 4.32Å; T352-H381 WeakPolarHBondContact CB-CE1 3.1Å; T352-H381 PolarHBondContact N-CE1 3.26Å; T352-H381 PolarHBondContact OG1-CE1 2.63Å; T352-H381 PolarHBondContact OG1-ND1 3.37Å; T352-H381 VanDerWaalsContact OG1-ND1 3.12Å
353	V	98.7	Very high	96.5	Very high	12 Å²	12	63.3 Å²	63.3	7%	0.073	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.8	171.8	-176.1	0	0	0	0	108.4	E324 I326 C368 L369 L371	E324-V353 HydrophobicContact CG-CG1 3.31Å; E324-V353 WeakPolarHBondContact OE1-CG1 3.33Å; I326-V353 HydrophobicContact CG1-CG1 4.47Å; I326-V353 HydrophobicContact CG1-CG2 4.34Å; V353-C368 WeakPolarHBondContact O-CA 3.37Å; V353-L369 HydrophobicContact CB-CB 4.25Å; V353-L369 PolarHBondContact N-O 2.82Å; V353-L369 PolarHBondContact O-N 3.18Å; V353-L371 HydrophobicContact CG2-CD1 4.06Å; V353-L371 HydrophobicContact CG2-CG 4.45Å
354	F	98.8	Very high	96.6	Very high	1 Å²	1	62.4 Å²	62.4	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.8	-178.3	-62.4	-77	0	0	0	110.6	F320 E324 L325 C327 T352 V366 R367 C368 I378 H381 L382 L385	F320-F354 HydrophobicContact CE1-CB 3.86Å; F320-F354 HydrophobicContact CZ-CB 3.57Å; F320-F354 HydrophobicContact CZ-CG 4.1Å; E324-F354 WeakPolarHBondContact CA-O 3.16Å; L325-F354 HydrophobicContact CB-CB 4.47Å; L325-F354 HydrophobicContact CD2-CD2 4.23Å; L325-F354 PolarHBondContact N-O 3.33Å; L325-F354 WeakPolarHBondContact O-CB 3.42Å; L325-F354 PolarHBondContact O-N 3.41Å; C327-F354 HydrophobicContact CB-CD2 4.47Å; C327-F354 HydrophobicContact CB-CE2 3.99Å; T352-F354 HydrophobicContact CG2-CD1 4.25Å; T352-F354 HydrophobicContact CG2-CD2 4.29Å; T352-F354 HydrophobicContact CG2-CE1 3.63Å; T352-F354 HydrophobicContact CG2-CE2 3.7Å; T352-F354 HydrophobicContact CG2-CZ 3.33Å; F354-V366 HydrophobicContact CB-CG1 4.04Å; F354-V366 HydrophobicContact CD1-CG1 3.95Å; F354-V366 HydrophobicContact CG-CG1 4.47Å; F354-R367 WeakPolarHBondContact CA-O 3.36Å; F354-C368 HydrophobicContact CD1-CB 3.99Å; F354-C368 VanDerWaalsContact CD1-SG 3.57Å; F354-C368 HydrophobicContact CE1-CB 3.95Å; F354-I378 HydrophobicContact CE1-CG2 4.26Å; F354-H381 HydrophobicContact CE2-CB 3.86Å; F354-H381 AromaticContact CE2-CE1 3.69Å; F354-H381 HydrophobicContact CZ-CB 3.72Å; F354-L382 HydrophobicContact CD1-CD2 3.75Å; F354-L382 HydrophobicContact CD1-CG 4.24Å; F354-L382 HydrophobicContact CE1-CD1 3.95Å; F354-L382 HydrophobicContact CE1-CD2 3.52Å; F354-L382 HydrophobicContact CE1-CG 3.51Å; F354-L382 HydrophobicContact CG-CD2 4.36Å; F354-L382 HydrophobicContact CZ-CD2 3.95Å; F354-L382 HydrophobicContact CZ-CG 3.8Å; F354-L385 HydrophobicContact CD2-CD1 4.03Å; F354-L385 HydrophobicContact CE2-CD1 3.98Å
355	Q	98.4	Very high	96.8	Very high	78 Å²	78	61.5 Å²	61.5	36%	0.364	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	127.4	175	-174.2	179.1	20	0	0	109.5	L357 V366 R367	Q355-L357 PolarHBondContact O-N 3.25Å; Q355-V366 WeakPolarHBondContact O-CA 3.36Å; Q355-R367 HydrophobicContact CB-CB 4.45Å; Q355-R367 PolarHBondContact N-O 2.97Å; Q355-R367 PolarHBondContact O-N 3.43Å
356	R	98.3	Very high	97	Very high	45 Å²	45	55.6 Å²	55.6	17%	0.17	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	130.6	171.1	-179	167	81.6	167.6	8.5	109.9	E319 F320 E322 S358	E319-R356 IonicContact OE1-CZ 3.64Å; E319-R356 IonicContact OE1-NH1 3.6Å; E319-R356 PolarHBondContact OE1-NH1 3.24Å; E319-R356 IonicContact OE1-NH2 2.8Å; F320-R356 HydrophobicContact CD1-CB 4.23Å; F320-R356 VanDerWaalsContact O-CD 3.31Å; F320-R356 WeakPolarHBondContact O-CD 3.43Å; F320-R356 PolarHBondContact O-NH1 3.3Å; E322-R356 VanDerWaalsContact CG-NH2 3.27Å; E322-R356 IonicContact OE1-CZ 3.42Å; E322-R356 IonicContact OE1-NH2 3.49Å; E322-R356 PolarHBondContact OE1-NH2 2.71Å; R356-S358 WeakPolarHBondContact CG-O 3.48Å
357	L	97.3	Very high	97.2	Very high	94 Å²	94	50 Å²	50	49%	0.492	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-42	171.2	-62.1	-176	0	0	0	111.5	V313 Q355 V365 R367	V313-L357 HydrophobicContact CG2-CD1 4.33Å; Q355-L357 PolarHBondContact O-N 3.25Å; L357-V365 HydrophobicContact CB-CB 4.43Å; L357-V365 HydrophobicContact CB-CG1 4.34Å; L357-V365 HydrophobicContact CD1-CG1 4.23Å; L357-V365 PolarHBondContact N-O 2.73Å; L357-R367 HydrophobicContact CD1-CB 4.05Å; L357-R367 HydrophobicContact CD2-CB 3.93Å; L357-R367 HydrophobicContact CG-CB 3.93Å
358	S	97.2	Very high	97.3	Very high	20 Å²	20	49.2 Å²	49.2	14%	0.14	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	165.5	179.6	63.8	0	0	0	0	111.6	R356 S364 V365	R356-S358 WeakPolarHBondContact CG-O 3.48Å; S358-S364 VanDerWaalsContact O-CA 3.28Å; S358-S364 WeakPolarHBondContact O-CA 3.38Å; S358-V365 PolarHBondContact N-O 3.03Å; S358-V365 PolarHBondContact O-N 3.24Å; S358-V365 WeakPolarHBondContact OG-CB 3.45Å; S358-V365 VanDerWaalsContact OG-CG2 3.29Å; S358-V365 WeakPolarHBondContact OG-CG2 3.36Å
359	F	96.6	Very high	97.4	Very high	65 Å²	65	44.6 Å²	44.6	29%	0.285	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	128.2	172	173.4	-120.6	0	0	0	108.8	E319 G361 T363 S364	E319-F359 HydrophobicContact CB-CD1 4.5Å; E319-F359 HydrophobicContact CB-CD2 4.14Å; E319-F359 HydrophobicContact CB-CE1 4.03Å; E319-F359 HydrophobicContact CB-CE2 3.65Å; E319-F359 HydrophobicContact CB-CZ 3.59Å; E319-F359 HydrophobicContact CG-CD1 3.84Å; E319-F359 HydrophobicContact CG-CD2 4.06Å; E319-F359 HydrophobicContact CG-CE1 3.75Å; E319-F359 HydrophobicContact CG-CE2 4Å; E319-F359 HydrophobicContact CG-CG 4Å; E319-F359 HydrophobicContact CG-CZ 3.84Å; F359-G361 VanDerWaalsContact CE1-CA 3.48Å; F359-G361 WeakPolarHBondContact CZ-O 3.43Å; F359-T363 WeakPolarHBondContact CA-O 3.45Å; F359-T363 VanDerWaalsContact CD2-O 3.27Å; F359-T363 WeakPolarHBondContact CD2-O 3.39Å; F359-S364 WeakPolarHBondContact CD2-OG 3.4Å
360	N	94.6	Very high	97.4	Very high	46 Å²	46	37.4 Å²	37.4	25%	0.246	19%	0.189	C	C	.	.			trans	-100.9	19.5	-177.1	71.8	-7.5	0	0	0	113.4	R315 K362 T363 W539	R315-N360 PolarHBondContact NH1-ND2 2.93Å; R315-N360 VanDerWaalsContact NH1-ND2 3.18Å; N360-K362 VanDerWaalsContact C-N 3.28Å; N360-K362 PolarHBondContact O-N 3.47Å; N360-K362 PolarHBondContact OD1-N 3.35Å; N360-K362 VanDerWaalsContact OD1-N 3.16Å; N360-T363 PolarHBondContact N-O 3.04Å; N360-T363 VanDerWaalsContact N-O 3.13Å; N360-T363 PolarHBondContact ND2-OG1 2.83Å; N360-T363 PolarHBondContact OD1-N 3.46Å; N360-T363 PolarHBondContact OD1-O 3.25Å; N360-T363 VanDerWaalsContact OD1-O 3.06Å; N360-T363 PolarHBondContact OD1-OG1 3.27Å; N360-W539 PolarHBondContact ND2-O 2.89Å
361	G	93	Very high	97.3	Very high	59 Å²	59	41.2 Å²	41.2	61%	0.608	21%	0.209	S	C	*	.	S	Bend	trans	86.4	-20	-174.9	0	0	0	0	0	115	F359	F359-G361 VanDerWaalsContact CE1-CA 3.48Å; F359-G361 WeakPolarHBondContact CZ-O 3.43Å
362	K	93.8	Very high	97.1	Very high	147 Å²	147	37.9 Å²	37.9	64%	0.639	20%	0.198	S	C	*	.	S	Bend	trans	-119.4	-34.8	177.7	-170	-174.4	177.7	-173.9	0	113.2	G318 N360	G318-K362 WeakPolarHBondContact CA-O 3.49Å; G318-K362 PolarHBondContact N-O 2.79Å; N360-K362 VanDerWaalsContact C-N 3.28Å; N360-K362 PolarHBondContact O-N 3.47Å; N360-K362 PolarHBondContact OD1-N 3.35Å; N360-K362 VanDerWaalsContact OD1-N 3.16Å
363	T	96.7	Very high	96.8	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.049	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	146.9	-167.3	62.1	0	0	0	0	110.8	R315 V316 G318 F359 N360 L390	R315-T363 PolarHBondContact NH1-OG1 3.07Å; V316-T363 WeakPolarHBondContact O-CA 3.3Å; V316-T363 WeakPolarHBondContact O-CB 3.3Å; G318-T363 CarbonylContact O-C 3.56Å; F359-T363 WeakPolarHBondContact CA-O 3.45Å; F359-T363 VanDerWaalsContact CD2-O 3.27Å; F359-T363 WeakPolarHBondContact CD2-O 3.39Å; N360-T363 PolarHBondContact N-O 3.04Å; N360-T363 VanDerWaalsContact N-O 3.13Å; N360-T363 PolarHBondContact ND2-OG1 2.83Å; N360-T363 PolarHBondContact OD1-N 3.46Å; N360-T363 PolarHBondContact OD1-O 3.25Å; N360-T363 VanDerWaalsContact OD1-O 3.06Å; N360-T363 PolarHBondContact OD1-OG1 3.27Å; T363-L390 HydrophobicContact CG2-CD1 3.72Å
364	S	97.8	Very high	96.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.5	177.1	-76.3	0	0	0	0	112.1	R315 V316 G318 F320 S358 F359	R315-S364 WeakPolarHBondContact CA-O 3.3Å; V316-S364 PolarHBondContact N-O 3.35Å; V316-S364 PolarHBondContact O-N 2.92Å; G318-S364 PolarHBondContact O-N 2.95Å; G318-S364 PolarHBondContact O-OG 3.23Å; F320-S364 PolarHBondContact N-OG 2.97Å; S358-S364 VanDerWaalsContact O-CA 3.28Å; S358-S364 WeakPolarHBondContact O-CA 3.38Å; F359-S364 WeakPolarHBondContact CD2-OG 3.4Å
365	V	98.3	Very high	96.3	Very high	1 Å²	1	48 Å²	48	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.6	163.6	-176	0	0	0	0	108	V313 C314 R315 L357 S358 A535	V313-V365 HydrophobicContact CG2-CG1 3.39Å; C314-V365 WeakPolarHBondContact O-CA 3.49Å; R315-V365 VanDerWaalsContact NH2-CG2 3.3Å; L357-V365 HydrophobicContact CB-CB 4.43Å; L357-V365 HydrophobicContact CB-CG1 4.34Å; L357-V365 HydrophobicContact CD1-CG1 4.23Å; L357-V365 PolarHBondContact N-O 2.73Å; S358-V365 PolarHBondContact N-O 3.03Å; S358-V365 PolarHBondContact O-N 3.24Å; S358-V365 WeakPolarHBondContact OG-CB 3.45Å; S358-V365 VanDerWaalsContact OG-CG2 3.29Å; S358-V365 WeakPolarHBondContact OG-CG2 3.36Å; V365-A535 HydrophobicContact CG1-CB 4Å
366	V	98.6	Very high	96.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.2	-173.5	-177.3	0	0	0	0	109.9	V313 C314 V316 F320 F354 Q355	V313-V366 WeakPolarHBondContact CA-O 3.4Å; C314-V366 PolarHBondContact N-O 2.92Å; C314-V366 PolarHBondContact O-N 2.71Å; V316-V366 HydrophobicContact CG1-CG2 4.37Å; V316-V366 HydrophobicContact CG2-CG2 3.72Å; F320-V366 HydrophobicContact CB-CG2 3.83Å; F320-V366 HydrophobicContact CD1-CG1 4.37Å; F320-V366 HydrophobicContact CD1-CG2 4Å; F320-V366 HydrophobicContact CD2-CG2 3.97Å; F320-V366 HydrophobicContact CE1-CG1 4.23Å; F320-V366 HydrophobicContact CG-CG2 3.65Å; F320-V366 HydrophobicContact CZ-CG1 4.35Å; F354-V366 HydrophobicContact CB-CG1 4.04Å; F354-V366 HydrophobicContact CD1-CG1 3.95Å; F354-V366 HydrophobicContact CG-CG1 4.47Å; Q355-V366 WeakPolarHBondContact O-CA 3.36Å
367	R	98.6	Very high	96.1	Very high	62 Å²	62	43.7 Å²	43.7	23%	0.234	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.1	168.4	-175	-179.4	-176.6	-127.5	-7.5	109.1	E311 F354 Q355 L357	E311-R367 VanDerWaalsContact CD-NE 3.27Å; E311-R367 VanDerWaalsContact CD-NH2 3.32Å; E311-R367 HydrophobicContact CG-CG 4.35Å; E311-R367 IonicContact OE1-CZ 2.7Å; E311-R367 IonicContact OE1-NE 3.66Å; E311-R367 PolarHBondContact OE1-NE 2.91Å; E311-R367 IonicContact OE1-NH2 2.71Å; E311-R367 PolarHBondContact OE1-NH2 3.48Å; E311-R367 IonicContact OE2-CZ 2.71Å; E311-R367 IonicContact OE2-NE 2.82Å; E311-R367 IonicContact OE2-NH2 3.48Å; E311-R367 PolarHBondContact OE2-NH2 3.3Å; F354-R367 WeakPolarHBondContact CA-O 3.36Å; Q355-R367 HydrophobicContact CB-CB 4.45Å; Q355-R367 PolarHBondContact N-O 2.97Å; Q355-R367 PolarHBondContact O-N 3.43Å; L357-R367 HydrophobicContact CD1-CB 4.05Å; L357-R367 HydrophobicContact CD2-CB 3.93Å; L357-R367 HydrophobicContact CG-CB 3.93Å
368	C	98.6	Very high	96.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.7	-176.7	-43.8	0	0	0	0	111.2	Y312 C314 T352 V353 F354 P370 I378	Y312-C368 PolarHBondContact N-O 2.98Å; Y312-C368 PolarHBondContact O-N 2.88Å; C314-C368 PolarHBondContact SG-SG 2.93Å; T352-C368 HydrophobicContact CG2-CB 4.5Å; V353-C368 WeakPolarHBondContact O-CA 3.37Å; F354-C368 HydrophobicContact CD1-CB 3.99Å; F354-C368 VanDerWaalsContact CD1-SG 3.57Å; F354-C368 HydrophobicContact CE1-CB 3.95Å; C368-P370 WeakPolarHBondContact O-CD 3.44Å; C368-I378 HydrophobicContact CB-CD1 3.98Å; C368-I378 HydrophobicContact CB-CG1 4.25Å; C368-I378 HydrophobicContact CB-CG2 4.18Å
369	L	98.3	Very high	96.2	Very high	43 Å²	43	39.3 Å²	39.3	23%	0.225	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	88.6	177.5	-57.5	173.4	0	0	0	109.4	E311 V353 L371	E311-L369 HydrophobicContact CB-CD2 3.75Å; E311-L369 HydrophobicContact CG-CD2 3.81Å; V353-L369 HydrophobicContact CB-CB 4.25Å; V353-L369 PolarHBondContact N-O 2.82Å; V353-L369 PolarHBondContact O-N 3.18Å; L369-L371 PolarHBondContact O-N 3.5Å
370	P	97.4	Very high	96.2	Very high	7 Å²	7	36.2 Å²	36.2	5%	0.045	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	101.9	175.4	31	-36.6	0	0	0	110.9	K310 Y312 T352 C368 T372 I378	K310-P370 HydrophobicContact CB-CG 4.46Å; K310-P370 WeakPolarHBondContact CE-O 3.44Å; K310-P370 PolarHBondContact NZ-O 3.15Å; K310-P370 WeakPolarHBondContact O-CD 3.45Å; Y312-P370 HydrophobicContact CD2-CG 3.86Å; Y312-P370 HydrophobicContact CE2-CG 3.68Å; T352-P370 HydrophobicContact CG2-CB 4.36Å; C368-P370 WeakPolarHBondContact O-CD 3.44Å; P370-T372 PolarHBondContact O-N 3.26Å; P370-I378 HydrophobicContact CB-CG1 4.33Å; P370-I378 HydrophobicContact CG-CD1 4.02Å; P370-I378 HydrophobicContact CG-CG1 4.34Å
371	L	95.7	Very high	96.4	Very high	87 Å²	87	34 Å²	34	46%	0.455	19%	0.192	S	C	.	.	S	Bend	trans	-73.1	4.7	178.7	-55.6	-175.7	0	0	0	113.7	R351 V353 L369	R351-L371 HydrophobicContact CG-CD1 4.16Å; R351-L371 PolarHBondContact O-N 3.13Å; V353-L371 HydrophobicContact CG2-CD1 4.06Å; V353-L371 HydrophobicContact CG2-CG 4.45Å; L369-L371 PolarHBondContact O-N 3.5Å
372	T	94.1	Very high	96.7	Very high	21 Å²	21	31.2 Å²	31.2	13%	0.129	16%	0.163	C	C	.	.	S	Bend	trans	-141.4	-179.7	179.5	37.9	0	0	0	0	109.3	K310 C350 R351 P370 Q377	K310-T372 PolarHBondContact NZ-O 3.38Å; C350-T372 WeakPolarHBondContact CA-OG1 3.15Å; C350-T372 WeakPolarHBondContact CB-OG1 3.33Å; R351-T372 PolarHBondContact N-OG1 2.95Å; R351-T372 PolarHBondContact O-OG1 2.63Å; P370-T372 PolarHBondContact O-N 3.26Å; T372-Q377 PolarHBondContact O-OE1 3.15Å; T372-Q377 PolarHBondContact OG1-NE2 2.79Å; T372-Q377 PolarHBondContact OG1-OE1 2.97Å
373	G	91.1	Very high	96.8	Very high	57 Å²	57	24.5 Å²	24.5	59%	0.588	13%	0.134	S	C	*	.			trans	-135.6	91.3	177.5	0	0	0	0	0	111.4
374	R	93.8	Very high	96.9	Very high	96 Å²	96	26.7 Å²	26.7	36%	0.362	14%	0.142	S	C	.	.			trans	-111.3	153.6	166.9	-50.2	-58.9	178.8	-152.6	3.3	110.3	I331 E349 C350 H376 Q377	I331-R374 HydrophobicContact CD1-CB 4.46Å; E349-R374 PolarHBondContact O-NE 3.12Å; E349-R374 PolarHBondContact O-NH2 3.48Å; C350-R374 HydrophobicContact CB-CG 3.55Å; R374-H376 PolarHBondContact O-N 2.77Å; R374-Q377 HydrophobicContact CB-CB 4.11Å; R374-Q377 HydrophobicContact CB-CG 4.44Å; R374-Q377 WeakPolarHBondContact O-CB 3.33Å; R374-Q377 PolarHBondContact O-N 3.13Å
375	T	92.9	Very high	96.9	Very high	73 Å²	73	28.2 Å²	28.2	45%	0.448	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	132.1	172	-52.8	0	0	0	0	109.5	Q377	T375-Q377 PolarHBondContact O-N 2.83Å
376	H	95.4	Very high	96.8	Very high	24 Å²	24	29.2 Å²	29.2	11%	0.111	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	20.5	177.6	-56.1	165.6	0	0	0	115.3	D280 G339 R374 I378 R379 V380 Y395	D280-H376 IonicContact OD1-CD2 2.72Å; D280-H376 IonicContact OD1-NE2 3.19Å; D280-H376 IonicContact OD2-CD2 2.97Å; D280-H376 PolarHBondContact OD2-CD2 2.8Å; D280-H376 IonicContact OD2-NE2 3.64Å; G339-H376 PolarHBondContact O-CE1 2.72Å; G339-H376 PolarHBondContact O-ND1 2.87Å; R374-H376 PolarHBondContact O-N 2.77Å; H376-I378 PolarHBondContact O-N 2.86Å; H376-R379 HydrophobicContact CB-CB 4.43Å; H376-R379 PolarHBondContact CD2-NH1 2.69Å; H376-R379 PolarHBondContact NE2-NH1 2.8Å; H376-R379 VanDerWaalsContact NE2-NH1 3.15Å; H376-R379 WeakPolarHBondContact O-CB 3.4Å; H376-R379 PolarHBondContact O-N 3.07Å; H376-V380 HydrophobicContact CB-CG2 4.03Å; H376-V380 WeakPolarHBondContact O-CG2 2.93Å; H376-V380 PolarHBondContact O-N 2.63Å; H376-Y395 HydrophobicContact CB-CE2 3.71Å; H376-Y395 WeakPolarHBondContact CB-OH 3.46Å; H376-Y395 AromaticContact CG-CE2 3.85Å; H376-Y395 AromaticContact ND1-CE2 3.61Å; H376-Y395 AromaticContact ND1-CZ 3.78Å; H376-Y395 PolarHBondContact ND1-OH 3.24Å
377	Q	97.6	Very high	96.7	Very high	8 Å²	8	30.7 Å²	30.7	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-52.1	-49.5	-167.9	-174.6	178.1	-40.2	0	0	114.8	I331 C350 R351 T352 T372 R374 T375 H381	I331-Q377 HydrophobicContact CD1-CB 4.16Å; I331-Q377 HydrophobicContact CD1-CG 3.98Å; C350-Q377 HydrophobicContact CB-CG 4.24Å; R351-Q377 PolarHBondContact O-NE2 2.96Å; T352-Q377 PolarHBondContact OG1-NE2 3.07Å; T372-Q377 PolarHBondContact O-OE1 3.15Å; T372-Q377 PolarHBondContact OG1-NE2 2.79Å; T372-Q377 PolarHBondContact OG1-OE1 2.97Å; R374-Q377 HydrophobicContact CB-CB 4.11Å; R374-Q377 HydrophobicContact CB-CG 4.44Å; R374-Q377 WeakPolarHBondContact O-CB 3.33Å; R374-Q377 PolarHBondContact O-N 3.13Å; T375-Q377 PolarHBondContact O-N 2.83Å; Q377-H381 WeakPolarHBondContact O-CB 3.26Å; Q377-H381 PolarHBondContact O-N 2.95Å
378	I	98.4	Very high	96.6	Very high	11 Å²	11	28 Å²	28	6%	0.056	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-46.6	179.1	-67.4	172.3	0	0	0	110.3	Y312 T352 F354 C368 P370 H376 H381 L382 I389 L515	Y312-I378 HydrophobicContact CD1-CD1 3.96Å; Y312-I378 HydrophobicContact CD2-CD1 3.5Å; Y312-I378 HydrophobicContact CE1-CD1 4.41Å; Y312-I378 HydrophobicContact CE2-CD1 4Å; Y312-I378 HydrophobicContact CG-CD1 3.48Å; Y312-I378 VanDerWaalsContact CG-CD1 3.48Å; T352-I378 HydrophobicContact CG2-CG1 4.32Å; F354-I378 HydrophobicContact CE1-CG2 4.26Å; C368-I378 HydrophobicContact CB-CD1 3.98Å; C368-I378 HydrophobicContact CB-CG1 4.25Å; C368-I378 HydrophobicContact CB-CG2 4.18Å; P370-I378 HydrophobicContact CB-CG1 4.33Å; P370-I378 HydrophobicContact CG-CD1 4.02Å; P370-I378 HydrophobicContact CG-CG1 4.34Å; H376-I378 PolarHBondContact O-N 2.86Å; I378-H381 PolarHBondContact O-N 3.37Å; I378-L382 HydrophobicContact CG2-CD1 3.66Å; I378-L382 HydrophobicContact CG2-CG 4.43Å; I378-L382 VanDerWaalsContact O-CB 3.31Å; I378-L382 WeakPolarHBondContact O-CB 3.38Å; I378-L382 VanDerWaalsContact O-CG 3.3Å; I378-L382 WeakPolarHBondContact O-CG 3.26Å; I378-L382 PolarHBondContact O-N 2.8Å; I378-I389 HydrophobicContact CG2-CD1 4.15Å; I378-L515 HydrophobicContact CD1-CD1 4.29Å; I378-L515 HydrophobicContact CG2-CD1 4.02Å
379	R	98	Very high	96.6	Very high	10 Å²	10	28.2 Å²	28.2	4%	0.038	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-48.5	-176.4	-57.9	161.9	66.5	-172.4	-3.3	111.5	D280 H376 L382 Q383 I389 D392 Y395 M513 L515	D280-R379 WeakPolarHBondContact OD2-CD 3.4Å; D280-R379 IonicContact OD2-CZ 3.55Å; D280-R379 IonicContact OD2-NH1 2.79Å; D280-R379 PolarHBondContact OD2-NH1 3.38Å; H376-R379 HydrophobicContact CB-CB 4.43Å; H376-R379 PolarHBondContact CD2-NH1 2.69Å; H376-R379 PolarHBondContact NE2-NH1 2.8Å; H376-R379 VanDerWaalsContact NE2-NH1 3.15Å; H376-R379 WeakPolarHBondContact O-CB 3.4Å; H376-R379 PolarHBondContact O-N 3.07Å; R379-L382 PolarHBondContact O-N 3.22Å; R379-Q383 WeakPolarHBondContact O-CB 3.29Å; R379-Q383 PolarHBondContact O-N 3.2Å; R379-I389 HydrophobicContact CB-CD1 4.45Å; R379-I389 HydrophobicContact CG-CD1 3.82Å; R379-D392 WeakPolarHBondContact CB-OD2 3.45Å; R379-D392 WeakPolarHBondContact CG-OD2 3.47Å; R379-D392 IonicContact CZ-OD1 3.45Å; R379-D392 IonicContact CZ-OD2 2.68Å; R379-D392 IonicContact NE-OD1 2.71Å; R379-D392 IonicContact NE-OD2 3.66Å; R379-D392 PolarHBondContact NE-OD2 2.81Å; R379-D392 IonicContact NH2-OD1 3.4Å; R379-D392 PolarHBondContact NH2-OD1 2.95Å; R379-D392 IonicContact NH2-OD2 2.73Å; R379-D392 PolarHBondContact NH2-OD2 3.48Å; R379-Y395 HydrophobicContact CB-CD2 3.58Å; R379-Y395 HydrophobicContact CB-CE2 3.91Å; R379-Y395 HydrophobicContact CB-CG 4.35Å; R379-M513 HydrophobicContact CG-SD 4.24Å; R379-M513 PolarHBondContact NE-SD 3.23Å; R379-M513 VanDerWaalsContact NE-SD 3.41Å; R379-L515 HydrophobicContact CG-CD2 3.99Å
380	V	97.6	Very high	96.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-44.4	178.4	176.3	0	0	0	0	111.8	I331 C341 V343 H376 Q383 Y384 Y395	I331-V380 HydrophobicContact CD1-CB 3.91Å; I331-V380 HydrophobicContact CD1-CG1 3.95Å; I331-V380 HydrophobicContact CD1-CG2 4.5Å; I331-V380 HydrophobicContact CG1-CB 4.42Å; I331-V380 HydrophobicContact CG1-CG1 3.92Å; C341-V380 HydrophobicContact CB-CG2 3.94Å; V343-V380 HydrophobicContact CG2-CG1 3.97Å; H376-V380 HydrophobicContact CB-CG2 4.03Å; H376-V380 WeakPolarHBondContact O-CG2 2.93Å; H376-V380 PolarHBondContact O-N 2.63Å; V380-Q383 PolarHBondContact O-N 3.46Å; V380-Y384 WeakPolarHBondContact O-CB 3.27Å; V380-Y384 PolarHBondContact O-N 3.21Å; V380-Y395 HydrophobicContact CG2-CD1 4.39Å; V380-Y395 HydrophobicContact CG2-CE1 3.65Å; V380-Y395 HydrophobicContact CG2-CE2 4.15Å; V380-Y395 VanDerWaalsContact CG2-CZ 3.47Å; V380-Y395 WeakPolarHBondContact CG2-OH 3.38Å
381	H	98.5	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-42.9	178	-79	-159.2	0	0	0	111.7	C327 C350 T352 F354 Q377 I378 Y384 L385	C327-H381 VanDerWaalsContact C-CE1 3.44Å; C327-H381 HydrophobicContact CB-CB 4.27Å; C327-H381 WeakPolarHBondContact CB-CE1 3.27Å; C327-H381 PolarHBondContact O-CE1 2.82Å; C327-H381 PolarHBondContact O-ND1 3.07Å; C327-H381 PolarHBondContact O-NE2 3.1Å; C327-H381 PolarHBondContact SG-CE1 2.96Å; C350-H381 PolarHBondContact O-NE2 3.46Å; T352-H381 WeakPolarHBondContact CB-CE1 3.1Å; T352-H381 PolarHBondContact N-CE1 3.26Å; T352-H381 PolarHBondContact OG1-CE1 2.63Å; T352-H381 PolarHBondContact OG1-ND1 3.37Å; T352-H381 VanDerWaalsContact OG1-ND1 3.12Å; F354-H381 HydrophobicContact CE2-CB 3.86Å; F354-H381 AromaticContact CE2-CE1 3.69Å; F354-H381 HydrophobicContact CZ-CB 3.72Å; Q377-H381 WeakPolarHBondContact O-CB 3.26Å; Q377-H381 PolarHBondContact O-N 2.95Å; I378-H381 PolarHBondContact O-N 3.37Å; H381-Y384 PolarHBondContact O-N 2.88Å; H381-L385 VanDerWaalsContact O-CG 3.22Å; H381-L385 WeakPolarHBondContact O-CG 3.26Å; H381-L385 PolarHBondContact O-N 3.07Å
382	L	98.4	Very high	96.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.3	-41.9	177.9	-77.4	174.2	0	0	0	112.2	C314 V316 F320 F354 I378 R379 L385 G386 F387 I389	C314-L382 WeakPolarHBondContact SG-CD1 3.37Å; V316-L382 HydrophobicContact CG1-CD1 3.88Å; V316-L382 HydrophobicContact CG1-CD2 4.21Å; F320-L382 HydrophobicContact CD2-CD2 4.43Å; F320-L382 HydrophobicContact CE2-CD2 3.74Å; F320-L382 HydrophobicContact CZ-CD2 4.42Å; F354-L382 HydrophobicContact CD1-CD2 3.75Å; F354-L382 HydrophobicContact CD1-CG 4.24Å; F354-L382 HydrophobicContact CE1-CD1 3.95Å; F354-L382 HydrophobicContact CE1-CD2 3.52Å; F354-L382 HydrophobicContact CE1-CG 3.51Å; F354-L382 HydrophobicContact CG-CD2 4.36Å; F354-L382 HydrophobicContact CZ-CD2 3.95Å; F354-L382 HydrophobicContact CZ-CG 3.8Å; I378-L382 HydrophobicContact CG2-CD1 3.66Å; I378-L382 HydrophobicContact CG2-CG 4.43Å; I378-L382 VanDerWaalsContact O-CB 3.31Å; I378-L382 WeakPolarHBondContact O-CB 3.38Å; I378-L382 VanDerWaalsContact O-CG 3.3Å; I378-L382 WeakPolarHBondContact O-CG 3.26Å; I378-L382 PolarHBondContact O-N 2.8Å; R379-L382 PolarHBondContact O-N 3.22Å; L382-L385 PolarHBondContact O-N 3.15Å; L382-G386 PolarHBondContact O-N 2.73Å; L382-F387 CarbonylContact C-O 3.2Å; L382-F387 WeakPolarHBondContact CB-O 3.38Å; L382-F387 CarbonylContact O-C 3.5Å; L382-F387 PolarHBondContact O-N 3.07Å; L382-I389 HydrophobicContact CD1-CD1 3.92Å; L382-I389 HydrophobicContact CD1-CG1 3.66Å
383	Q	97.6	Very high	96	Very high	6 Å²	6	25 Å²	25	3%	0.028	14%	0.142	C	C	.	.	H	α-helix	trans	-58.1	-49.6	170.5	-175.2	-168.4	56.6	0	0	111.9	R379 V380 L385 G386 Y395 W400 R404	R379-Q383 WeakPolarHBondContact O-CB 3.29Å; R379-Q383 PolarHBondContact O-N 3.2Å; V380-Q383 PolarHBondContact O-N 3.46Å; Q383-L385 VanDerWaalsContact C-N 3.27Å; Q383-L385 PolarHBondContact O-N 2.86Å; Q383-G386 WeakPolarHBondContact O-CA 3.29Å; Q383-G386 PolarHBondContact O-N 3.26Å; Q383-Y395 PolarHBondContact NE2-O 3.31Å; Q383-W400 VanDerWaalsContact NE2-CD2 3.26Å; Q383-W400 VanDerWaalsContact NE2-CG 3.32Å; Q383-R404 WeakPolarHBondContact CG-O 3.47Å; Q383-R404 PolarHBondContact NE2-O 3.29Å
384	Y	97.6	Very high	96.1	Very high	53 Å²	53	22.8 Å²	22.8	21%	0.208	12%	0.117	C	C	.	.	H	α-helix	trans	-58.1	-38.6	179.1	173.1	-86.8	0	0	0	112.3	E329 V343 V380 H381 G386 K406 G407 G408	E329-Y384 HydrophobicContact CG-CD1 3.98Å; E329-Y384 HydrophobicContact CG-CE1 3.58Å; E329-Y384 HydrophobicContact CG-CE2 4.18Å; E329-Y384 HydrophobicContact CG-CG 4.48Å; E329-Y384 PolarHBondContact OE1-OH 2.83Å; E329-Y384 VanDerWaalsContact OE1-OH 3.06Å; V343-Y384 HydrophobicContact CB-CD2 3.65Å; V343-Y384 HydrophobicContact CB-CE2 4.13Å; V343-Y384 HydrophobicContact CB-CG 4.36Å; V343-Y384 HydrophobicContact CG1-CD2 3.74Å; V343-Y384 HydrophobicContact CG1-CE2 3.68Å; V343-Y384 HydrophobicContact CG2-CD2 3.59Å; V343-Y384 HydrophobicContact CG2-CE2 4.34Å; V343-Y384 HydrophobicContact CG2-CG 3.79Å; V380-Y384 WeakPolarHBondContact O-CB 3.27Å; V380-Y384 PolarHBondContact O-N 3.21Å; H381-Y384 PolarHBondContact O-N 2.88Å; Y384-G386 PolarHBondContact O-N 2.92Å; Y384-K406 CarbonylContact O-C 3.51Å; Y384-K406 WeakPolarHBondContact O-CA 3.49Å; Y384-G407 PolarHBondContact O-N 3.09Å; Y384-G408 VanDerWaalsContact CD2-N 3.32Å
385	L	97.5	Very high	96.1	Very high	32 Å²	32	18.2 Å²	18.2	17%	0.168	10%	0.1	C	C	.	.	H	α-helix	trans	-69.9	-15.1	175	-65.6	167.8	0	0	0	113	F320 L325 C327 F354 H381 L382 Q383 F387 K406	F320-L385 HydrophobicContact CE2-CD1 4.37Å; F320-L385 HydrophobicContact CZ-CD1 4.45Å; L325-L385 HydrophobicContact CD1-CD2 4.46Å; L325-L385 HydrophobicContact CD2-CD1 3.46Å; L325-L385 VanDerWaalsContact CD2-CD1 3.46Å; L325-L385 HydrophobicContact CD2-CD2 3.78Å; L325-L385 HydrophobicContact CD2-CG 4.27Å; C327-L385 HydrophobicContact CB-CD1 4.26Å; F354-L385 HydrophobicContact CD2-CD1 4.03Å; F354-L385 HydrophobicContact CE2-CD1 3.98Å; H381-L385 VanDerWaalsContact O-CG 3.22Å; H381-L385 WeakPolarHBondContact O-CG 3.26Å; H381-L385 PolarHBondContact O-N 3.07Å; L382-L385 PolarHBondContact O-N 3.15Å; Q383-L385 VanDerWaalsContact C-N 3.27Å; Q383-L385 PolarHBondContact O-N 2.86Å; L385-F387 HydrophobicContact CB-CD2 3.92Å; L385-F387 HydrophobicContact CB-CE2 4.48Å; L385-F387 WeakPolarHBondContact O-CD2 3.3Å; L385-F387 WeakPolarHBondContact O-CE2 3.37Å; L385-K406 VanDerWaalsContact O-CE 3.28Å; L385-K406 WeakPolarHBondContact O-CE 3.38Å
386	G	96.7	Very high	96	Very high	23 Å²	23	15.5 Å²	15.5	24%	0.237	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	18.2	-179.2	0	0	0	0	0	114.5	L382 Q383 Y384 P388	L382-G386 PolarHBondContact O-N 2.73Å; Q383-G386 WeakPolarHBondContact O-CA 3.29Å; Q383-G386 PolarHBondContact O-N 3.26Å; Y384-G386 PolarHBondContact O-N 2.92Å; G386-P388 VanDerWaalsContact C-CD 3.49Å
387	F	97.3	Very high	95.8	Very high	31 Å²	31	14.6 Å²	14.6	14%	0.136	8%	0.082	C	C	.	.			trans	-126.9	63.2	-177.8	-56.6	-79.5	0	0	0	109.8	V316 E317 E319 F320 P321 L382 L385	V316-F387 HydrophobicContact CB-CB 4.11Å; V316-F387 WeakPolarHBondContact CB-O 3.14Å; V316-F387 WeakPolarHBondContact CG1-O 2.99Å; V316-F387 HydrophobicContact CG2-CB 4.05Å; E317-F387 WeakPolarHBondContact O-CD1 3.35Å; E319-F387 WeakPolarHBondContact O-CE1 3.44Å; F320-F387 HydrophobicContact CD2-CB 3.88Å; F320-F387 HydrophobicContact CD2-CD1 4.25Å; F320-F387 AromaticContact CD2-CD2 3.68Å; F320-F387 HydrophobicContact CD2-CD2 3.68Å; F320-F387 HydrophobicContact CD2-CE2 4.28Å; F320-F387 AromaticContact CD2-CG 3.67Å; F320-F387 HydrophobicContact CD2-CG 3.67Å; F320-F387 HydrophobicContact CE2-CB 4.33Å; F320-F387 AromaticContact CE2-CD2 3.89Å; F320-F387 HydrophobicContact CE2-CD2 3.89Å; F320-F387 HydrophobicContact CE2-CG 4.24Å; P321-F387 HydrophobicContact CG-CE2 4.28Å; P321-F387 HydrophobicContact CG-CZ 4.28Å; L382-F387 CarbonylContact C-O 3.2Å; L382-F387 WeakPolarHBondContact CB-O 3.38Å; L382-F387 CarbonylContact O-C 3.5Å; L382-F387 PolarHBondContact O-N 3.07Å; L385-F387 HydrophobicContact CB-CD2 3.92Å; L385-F387 HydrophobicContact CB-CE2 4.48Å; L385-F387 WeakPolarHBondContact O-CD2 3.3Å; L385-F387 WeakPolarHBondContact O-CE2 3.37Å
388	P	96.9	Very high	95.5	Very high	6 Å²	6	19.9 Å²	19.9	4%	0.039	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-58.7	150.6	-178.4	27.1	-35.1	0	0	0	111.5	V316 E317 G386	V316-P388 WeakPolarHBondContact CA-O 3.43Å; E317-P388 PolarHBondContact N-O 3.39Å; E317-P388 VanDerWaalsContact N-O 3.14Å; G386-P388 VanDerWaalsContact C-CD 3.49Å
389	I	97.8	Very high	95.1	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.015	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-67.7	136.6	175.3	-53.4	-176.4	0	0	0	108.7	C314 V316 I378 R379 L382 D392 M513 Y514 L515	C314-I389 HydrophobicContact CB-CD1 4.06Å; C314-I389 HydrophobicContact CB-CG1 4.34Å; C314-I389 HydrophobicContact CB-CG2 4.29Å; V316-I389 HydrophobicContact CG1-CG1 4.43Å; I378-I389 HydrophobicContact CG2-CD1 4.15Å; R379-I389 HydrophobicContact CB-CD1 4.45Å; R379-I389 HydrophobicContact CG-CD1 3.82Å; L382-I389 HydrophobicContact CD1-CD1 3.92Å; L382-I389 HydrophobicContact CD1-CG1 3.66Å; I389-D392 HydrophobicContact CB-CB 4.24Å; I389-D392 VanDerWaalsContact O-CB 3.28Å; I389-D392 WeakPolarHBondContact O-CB 3.16Å; I389-D392 PolarHBondContact O-N 3.1Å; I389-M513 HydrophobicContact CG2-CG 3.94Å; I389-Y514 VanDerWaalsContact CG2-O 3.29Å; I389-Y514 WeakPolarHBondContact CG2-O 3.21Å; I389-L515 HydrophobicContact CD1-CB 4Å; I389-L515 HydrophobicContact CD1-CD1 4.17Å; I389-L515 HydrophobicContact CD1-CD2 3.94Å; I389-L515 HydrophobicContact CD1-CG 4.26Å; I389-L515 HydrophobicContact CG2-CB 4.39Å
390	L	95	Very high	94.8	Very high	21 Å²	21	19.2 Å²	19.2	11%	0.11	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	142.3	175.9	-64.5	178.6	0	0	0	111.2	R315 E317 T363 D392 Y514	R315-L390 HydrophobicContact CB-CD1 4.26Å; R315-L390 HydrophobicContact CG-CD1 3.63Å; R315-L390 HydrophobicContact CG-CG 4.49Å; R315-L390 PolarHBondContact O-N 3.27Å; E317-L390 HydrophobicContact CB-CD2 3.89Å; E317-L390 HydrophobicContact CG-CD2 4.48Å; T363-L390 HydrophobicContact CG2-CD1 3.72Å; L390-D392 PolarHBondContact O-N 3.26Å; L390-Y514 HydrophobicContact CB-CD2 3.55Å; L390-Y514 HydrophobicContact CB-CE2 4.1Å; L390-Y514 HydrophobicContact CB-CG 4.45Å; L390-Y514 HydrophobicContact CD1-CD2 4.04Å; L390-Y514 HydrophobicContact CD1-CE2 4.38Å; L390-Y514 HydrophobicContact CG-CD2 4.44Å; L390-Y514 PolarHBondContact O-N 3.24Å
391	N	92.7	Very high	94.4	Very high	47 Å²	47	20 Å²	20	25%	0.251	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	26.9	-173.8	-53.1	-17.2	0	0	0	113.8	P393 K509 I512 Y514	N391-P393 WeakPolarHBondContact O-CD 3.33Å; N391-K509 WeakPolarHBondContact ND2-CG 3.42Å; N391-K509 WeakPolarHBondContact OD1-CE 3.45Å; N391-I512 WeakPolarHBondContact CB-O 3.47Å; N391-Y514 VanDerWaalsContact ND2-CZ 3.29Å; N391-Y514 PolarHBondContact ND2-OH 3.47Å
392	D	94.5	Very high	93.8	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.021	15%	0.15	C	C	.	.			trans	-80.5	107.1	167.6	-170.5	-36.1	0	0	0	109.9	R379 I389 L390 I394 Y395 G396 M513	R379-D392 WeakPolarHBondContact CB-OD2 3.45Å; R379-D392 WeakPolarHBondContact CG-OD2 3.47Å; R379-D392 IonicContact CZ-OD1 3.45Å; R379-D392 IonicContact CZ-OD2 2.68Å; R379-D392 IonicContact NE-OD1 2.71Å; R379-D392 IonicContact NE-OD2 3.66Å; R379-D392 PolarHBondContact NE-OD2 2.81Å; R379-D392 IonicContact NH2-OD1 3.4Å; R379-D392 PolarHBondContact NH2-OD1 2.95Å; R379-D392 IonicContact NH2-OD2 2.73Å; R379-D392 PolarHBondContact NH2-OD2 3.48Å; I389-D392 HydrophobicContact CB-CB 4.24Å; I389-D392 VanDerWaalsContact O-CB 3.28Å; I389-D392 WeakPolarHBondContact O-CB 3.16Å; I389-D392 PolarHBondContact O-N 3.1Å; L390-D392 PolarHBondContact O-N 3.26Å; D392-I394 PolarHBondContact O-N 3.39Å; D392-I394 PolarHBondContact OD1-N 3.27Å; D392-Y395 PolarHBondContact OD1-N 3.19Å; D392-Y395 WeakPolarHBondContact OD2-CD2 3.42Å; D392-G396 WeakPolarHBondContact O-CA 3.47Å; D392-G396 PolarHBondContact O-N 3.4Å; D392-M513 HydrophobicContact CB-CG 4.24Å; D392-M513 HydrophobicContact CB-SD 3.91Å
393	P	91.1	Very high	93.3	Very high	20 Å²	20	32 Å²	32	13%	0.13	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.8	-174.9	26.3	-35.5	0	0	0	112.5	L282 N391 H425 L433 L434	L282-P393 HydrophobicContact CD1-CG 3.55Å; N391-P393 WeakPolarHBondContact O-CD 3.33Å; P393-H425 VanDerWaalsContact CB-NE2 3.3Å; P393-H425 WeakPolarHBondContact CB-NE2 3.31Å; P393-H425 PolarHBondContact O-CE1 2.72Å; P393-H425 PolarHBondContact O-NE2 3.28Å; P393-L433 HydrophobicContact CB-CD1 4.47Å; P393-L434 HydrophobicContact CB-CD2 4.37Å
394	I	92	Very high	92.9	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.051	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-53.8	-179.8	-61	174.4	0	0	0	109.4	L340 D392 S397 W400 L434	L340-I394 HydrophobicContact CD1-CG2 3.78Å; D392-I394 PolarHBondContact O-N 3.39Å; D392-I394 PolarHBondContact OD1-N 3.27Å; I394-S397 WeakPolarHBondContact O-CB 3.36Å; I394-W400 HydrophobicContact CG2-CZ2 4.44Å; I394-W400 PolarHBondContact O-NE1 2.96Å; I394-L434 HydrophobicContact CD1-CD2 4.12Å; I394-L434 HydrophobicContact CG1-CD2 3.38Å
395	Y	94.1	Very high	92.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-16.3	-163.2	-58.6	-71.4	0	0	0	114.7	L340 C341 H376 R379 V380 Q383 D392 S397 W400	L340-Y395 HydrophobicContact CD1-CE1 4.39Å; C341-Y395 PolarHBondContact N-OH 3.49Å; C341-Y395 VanDerWaalsContact N-OH 3.15Å; C341-Y395 VanDerWaalsContact O-CE1 3.3Å; C341-Y395 WeakPolarHBondContact O-CE1 3.16Å; C341-Y395 PolarHBondContact O-OH 3.33Å; H376-Y395 HydrophobicContact CB-CE2 3.71Å; H376-Y395 WeakPolarHBondContact CB-OH 3.46Å; H376-Y395 AromaticContact CG-CE2 3.85Å; H376-Y395 AromaticContact ND1-CE2 3.61Å; H376-Y395 AromaticContact ND1-CZ 3.78Å; H376-Y395 PolarHBondContact ND1-OH 3.24Å; R379-Y395 HydrophobicContact CB-CD2 3.58Å; R379-Y395 HydrophobicContact CB-CE2 3.91Å; R379-Y395 HydrophobicContact CB-CG 4.35Å; V380-Y395 HydrophobicContact CG2-CD1 4.39Å; V380-Y395 HydrophobicContact CG2-CE1 3.65Å; V380-Y395 HydrophobicContact CG2-CE2 4.15Å; V380-Y395 VanDerWaalsContact CG2-CZ 3.47Å; V380-Y395 WeakPolarHBondContact CG2-OH 3.38Å; Q383-Y395 PolarHBondContact NE2-O 3.31Å; D392-Y395 PolarHBondContact OD1-N 3.19Å; D392-Y395 WeakPolarHBondContact OD2-CD2 3.42Å; Y395-S397 VanDerWaalsContact C-N 3.34Å; Y395-W400 HydrophobicContact CD1-CH2 4.29Å; Y395-W400 AromaticContact CD1-CZ2 3.62Å; Y395-W400 HydrophobicContact CD1-CZ2 3.62Å; Y395-W400 HydrophobicContact CE1-CH2 4.13Å; Y395-W400 AromaticContact CE1-CZ2 3.69Å; Y395-W400 HydrophobicContact CE1-CZ2 3.69Å
396	G	91.6	Very high	92.5	Very high	15 Å²	15	34.9 Å²	34.9	16%	0.155	19%	0.191	C	C	.	.	S	Bend	trans	-82.5	-10.9	167.3	0	0	0	0	0	113.8	D392 R404	D392-G396 WeakPolarHBondContact O-CA 3.47Å; D392-G396 PolarHBondContact O-N 3.4Å; G396-R404 WeakPolarHBondContact O-CD 3.47Å; G396-R404 VanDerWaalsContact O-CZ 3.25Å; G396-R404 PolarHBondContact O-NE 2.76Å
397	S	91	Very high	92.4	Very high	5 Å²	5	35.6 Å²	35.6	4%	0.035	20%	0.198	C	C	.	.			trans	-60.7	145.3	-176.2	171.3	0	0	0	0	114	I394 Y395 A399 L421 E424	I394-S397 WeakPolarHBondContact O-CB 3.36Å; Y395-S397 VanDerWaalsContact C-N 3.34Å; S397-A399 PolarHBondContact O-N 3.16Å; S397-A399 VanDerWaalsContact OG-CB 3.26Å; S397-A399 WeakPolarHBondContact OG-CB 3.46Å; S397-A399 PolarHBondContact OG-N 2.92Å; S397-A399 VanDerWaalsContact OG-N 3.15Å; S397-L421 WeakPolarHBondContact OG-CD2 3.42Å; S397-E424 VanDerWaalsContact CA-OE1 3.26Å; S397-E424 WeakPolarHBondContact CA-OE1 3.35Å; S397-E424 VanDerWaalsContact CB-OE1 3.27Å; S397-E424 WeakPolarHBondContact CB-OE1 3.39Å; S397-E424 PolarHBondContact OG-OE1 2.94Å; S397-E424 PolarHBondContact OG-OE2 2.71Å; S397-E424 VanDerWaalsContact OG-OE2 3.07Å
398	H	90.4	Very high	91.9	Very high	119 Å²	119	35.9 Å²	35.9	55%	0.551	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-75	-13.2	175.3	-71.3	-90	0	0	0	113.1	W400 G401 R404 E424	H398-W400 PolarHBondContact O-N 3.33Å; H398-W400 VanDerWaalsContact O-N 3.07Å; H398-G401 PolarHBondContact O-N 2.62Å; H398-R404 PolarHBondContact CE1-NH2 2.97Å; H398-R404 PolarHBondContact NE2-NH2 3.29Å; H398-E424 PolarHBondContact N-OE1 3.27Å; H398-E424 PolarHBondContact N-OE2 3.37Å
399	A	90.7	Very high	91.4	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.033	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-52.6	-27.5	171.3	0	0	0	0	0	113.4	S397 G401 K412 L417 A420 L421 E424	S397-A399 PolarHBondContact O-N 3.16Å; S397-A399 VanDerWaalsContact OG-CB 3.26Å; S397-A399 WeakPolarHBondContact OG-CB 3.46Å; S397-A399 PolarHBondContact OG-N 2.92Å; S397-A399 VanDerWaalsContact OG-N 3.15Å; A399-G401 PolarHBondContact O-N 3.37Å; A399-K412 PolarHBondContact O-NZ 2.95Å; A399-L417 HydrophobicContact CB-CD1 4.36Å; A399-A420 HydrophobicContact CB-CB 3.79Å; A399-L421 HydrophobicContact CB-CD2 3.76Å; A399-L421 HydrophobicContact CB-CG 3.84Å; A399-E424 PolarHBondContact N-OE2 2.97Å
400	W	91.4	Very high	90.8	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.011	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-78.4	5.8	175.7	-63.5	91.7	0	0	0	115	L340 R342 Q383 I394 Y395 H398 G405 V410 L417	L340-W400 HydrophobicContact CD1-CH2 3.79Å; L340-W400 HydrophobicContact CD1-CZ2 3.44Å; L340-W400 VanDerWaalsContact CD1-CZ2 3.44Å; R342-W400 HydrophobicContact CB-CH2 4.3Å; R342-W400 HydrophobicContact CB-CZ3 4.37Å; Q383-W400 VanDerWaalsContact NE2-CD2 3.26Å; Q383-W400 VanDerWaalsContact NE2-CG 3.32Å; I394-W400 HydrophobicContact CG2-CZ2 4.44Å; I394-W400 PolarHBondContact O-NE1 2.96Å; Y395-W400 HydrophobicContact CD1-CH2 4.29Å; Y395-W400 AromaticContact CD1-CZ2 3.62Å; Y395-W400 HydrophobicContact CD1-CZ2 3.62Å; Y395-W400 HydrophobicContact CE1-CH2 4.13Å; Y395-W400 AromaticContact CE1-CZ2 3.69Å; Y395-W400 HydrophobicContact CE1-CZ2 3.69Å; H398-W400 PolarHBondContact O-N 3.33Å; H398-W400 VanDerWaalsContact O-N 3.07Å; W400-G405 PolarHBondContact O-N 2.88Å; W400-V410 HydrophobicContact CE3-CG1 4.04Å; W400-V410 HydrophobicContact CE3-CG2 3.78Å; W400-V410 HydrophobicContact CZ3-CG2 3.88Å; W400-L417 HydrophobicContact CD2-CD1 3.88Å; W400-L417 HydrophobicContact CD2-CD2 4.2Å; W400-L417 HydrophobicContact CE3-CD1 4.12Å; W400-L417 HydrophobicContact CE3-CD2 3.81Å; W400-L417 HydrophobicContact CG-CD1 4.17Å; W400-L417 HydrophobicContact CH2-CD2 3.72Å; W400-L417 HydrophobicContact CZ2-CD2 4.09Å; W400-L417 HydrophobicContact CZ3-CD2 3.55Å
401	G	89.5	Confident	90.2	Very high	17 Å²	17	45.8 Å²	45.8	18%	0.175	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	87	-177.8	178.1	0	0	0	0	0	114.2	H398 A399 H403 R404	H398-G401 PolarHBondContact O-N 2.62Å; A399-G401 PolarHBondContact O-N 3.37Å; G401-H403 PolarHBondContact O-N 3.39Å; G401-H403 VanDerWaalsContact O-N 3.13Å; G401-R404 PolarHBondContact O-N 3.23Å
402	P	86.8	Confident	90	Very high	123 Å²	123	47.3 Å²	47.3	80%	0.799	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.5	-168.9	27.2	-36.4	0	0	0	114.4
403	H	88.1	Confident	89.8	Confident	131 Å²	131	49.8 Å²	49.8	61%	0.606	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	13.4	175.5	-55.7	-47.1	0	0	0	112.7	G401 G405 K406	G401-H403 PolarHBondContact O-N 3.39Å; G401-H403 VanDerWaalsContact O-N 3.13Å; H403-G405 VanDerWaalsContact C-N 3.28Å; H403-G405 PolarHBondContact O-N 3.31Å; H403-G405 VanDerWaalsContact O-N 3.15Å; H403-K406 HydrophobicContact CB-CB 4.19Å; H403-K406 VanDerWaalsContact O-CB 3.27Å; H403-K406 WeakPolarHBondContact O-CB 3.31Å; H403-K406 PolarHBondContact O-N 2.86Å
404	R	89.4	Confident	89.6	Confident	44 Å²	44	51.6 Å²	51.6	17%	0.166	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	42.7	48.3	179.9	-64	-177.7	177	161.1	-5.7	113.8	E317 Q383 G396 H398 G401 K406	E317-R404 VanDerWaalsContact CD-NH1 3.33Å; E317-R404 IonicContact OE1-NH1 2.62Å; E317-R404 PolarHBondContact OE1-NH1 2.8Å; E317-R404 IonicContact OE2-CZ 3.33Å; E317-R404 IonicContact OE2-NH1 3.84Å; E317-R404 PolarHBondContact OE2-NH1 3.18Å; E317-R404 IonicContact OE2-NH2 3.4Å; Q383-R404 WeakPolarHBondContact CG-O 3.47Å; Q383-R404 PolarHBondContact NE2-O 3.29Å; G396-R404 WeakPolarHBondContact O-CD 3.47Å; G396-R404 VanDerWaalsContact O-CZ 3.25Å; G396-R404 PolarHBondContact O-NE 2.76Å; H398-R404 PolarHBondContact CE1-NH2 2.97Å; H398-R404 PolarHBondContact NE2-NH2 3.29Å; G401-R404 PolarHBondContact O-N 3.23Å; R404-K406 VanDerWaalsContact C-N 3.34Å; R404-K406 PolarHBondContact O-N 3Å
405	G	90.6	Very high	89.4	Confident	3 Å²	3	57.9 Å²	57.9	3%	0.031	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	8.9	177.4	0	0	0	0	0	116.6	W400 H403 G407 G408	W400-G405 PolarHBondContact O-N 2.88Å; H403-G405 VanDerWaalsContact C-N 3.28Å; H403-G405 PolarHBondContact O-N 3.31Å; H403-G405 VanDerWaalsContact O-N 3.15Å; G405-G407 PolarHBondContact O-N 3.14Å; G405-G408 WeakPolarHBondContact O-CA 3.47Å; G405-G408 PolarHBondContact O-N 3.46Å
406	K	94.9	Very high	89.3	Confident	103 Å²	103	63.2 Å²	63.2	45%	0.448	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-51.2	133.2	175.5	-174.4	174.2	-170.2	159.6	0	111.7	Y384 L385 H403 R404 G408 L409	Y384-K406 CarbonylContact O-C 3.51Å; Y384-K406 WeakPolarHBondContact O-CA 3.49Å; L385-K406 VanDerWaalsContact O-CE 3.28Å; L385-K406 WeakPolarHBondContact O-CE 3.38Å; H403-K406 HydrophobicContact CB-CB 4.19Å; H403-K406 VanDerWaalsContact O-CB 3.27Å; H403-K406 WeakPolarHBondContact O-CB 3.31Å; H403-K406 PolarHBondContact O-N 2.86Å; R404-K406 VanDerWaalsContact C-N 3.34Å; R404-K406 PolarHBondContact O-N 3Å; K406-G408 PolarHBondContact O-N 3.39Å; K406-L409 WeakPolarHBondContact O-CB 3.49Å; K406-L409 PolarHBondContact O-N 3.28Å
407	G	94	Very high	89.2	Confident	39 Å²	39	62.6 Å²	62.6	40%	0.402	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	65.7	14.7	-176.2	0	0	0	0	0	114.6	Y384 G405 L409	Y384-G407 PolarHBondContact O-N 3.09Å; G405-G407 PolarHBondContact O-N 3.14Å; G407-L409 VanDerWaalsContact C-N 3.26Å; G407-L409 PolarHBondContact O-N 2.81Å
408	G	88.3	Confident	89.1	Confident	36 Å²	36	64 Å²	64	37%	0.371	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	77	9.6	-173.1	0	0	0	0	0	113.8	Y384 G405 K406 V410	Y384-G408 VanDerWaalsContact CD2-N 3.32Å; G405-G408 WeakPolarHBondContact O-CA 3.47Å; G405-G408 PolarHBondContact O-N 3.46Å; K406-G408 PolarHBondContact O-N 3.39Å; G408-V410 PolarHBondContact O-N 2.68Å; G408-V410 VanDerWaalsContact O-N 3.12Å
409	L	86.3	Confident	88.9	Confident	127 Å²	127	63.5 Å²	63.5	67%	0.665	37%	0.366	S	S	*	.			trans	-82.5	90	-176.8	-59.4	177	0	0	0	110.9	K406 G407	K406-L409 WeakPolarHBondContact O-CB 3.49Å; K406-L409 PolarHBondContact O-N 3.28Å; G407-L409 VanDerWaalsContact C-N 3.26Å; G407-L409 PolarHBondContact O-N 2.81Å
410	V	84	Confident	88.9	Confident	22 Å²	22	64.6 Å²	64.6	13%	0.133	38%	0.375	C	S	.	.			trans	-93.8	-36.9	178	-168.2	0	0	0	0	112.5	W400 G408 K412 L417	W400-V410 HydrophobicContact CE3-CG1 4.04Å; W400-V410 HydrophobicContact CE3-CG2 3.78Å; W400-V410 HydrophobicContact CZ3-CG2 3.88Å; G408-V410 PolarHBondContact O-N 2.68Å; G408-V410 VanDerWaalsContact O-N 3.12Å; V410-K412 HydrophobicContact CG1-CB 4.16Å; V410-K412 PolarHBondContact O-N 3.15Å; V410-L417 HydrophobicContact CG1-CD1 4.1Å; V410-L417 HydrophobicContact CG1-CD2 4.1Å; V410-L417 HydrophobicContact CG1-CG 4.48Å
411	G	83.5	Confident	88.7	Confident	89 Å²	89	64.5 Å²	64.5	92%	0.918	38%	0.375	S	S	*	.			trans	67.1	12	-177.7	0	0	0	0	0	115.5
412	K	87.5	Confident	88.5	Confident	79 Å²	79	64.7 Å²	64.7	34%	0.343	37%	0.373	S	S	.	.	S	Bend	trans	-132.5	154.7	179.5	-63.9	178	-179	175	0	110.1	A399 V410 E416	A399-K412 PolarHBondContact O-NZ 2.95Å; V410-K412 HydrophobicContact CG1-CB 4.16Å; V410-K412 PolarHBondContact O-N 3.15Å; K412-E416 HydrophobicContact CB-CB 4.06Å
413	S	90.1	Very high	88.4	Confident	57 Å²	57	63.2 Å²	63.2	40%	0.399	36%	0.355	S	S	.	.			trans	-70	166.7	164.3	67	0	0	0	0	111.9	E415 E416 L417	S413-E415 VanDerWaalsContact C-N 3.3Å; S413-E415 PolarHBondContact O-N 3.33Å; S413-E416 VanDerWaalsContact CB-OE2 3.25Å; S413-E416 WeakPolarHBondContact CB-OE2 3.48Å; S413-E416 PolarHBondContact N-OE2 2.73Å; S413-E416 PolarHBondContact O-N 2.68Å; S413-E416 VanDerWaalsContact OG-CD 3.23Å; S413-E416 VanDerWaalsContact OG-CG 3.27Å; S413-E416 WeakPolarHBondContact OG-CG 3.25Å; S413-E416 PolarHBondContact OG-N 2.93Å; S413-E416 PolarHBondContact OG-OE2 2.75Å; S413-L417 WeakPolarHBondContact O-CB 3.44Å; S413-L417 PolarHBondContact O-N 3.48Å
414	D	88.3	Confident	88.2	Confident	57 Å²	57	58.6 Å²	58.6	31%	0.305	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-38	-179.7	-70.1	-39.1	0	0	0	112.8	V334 R342 L418	V334-D414 HydrophobicContact CG1-CB 3.61Å; V334-D414 VanDerWaalsContact CG1-CG 3.45Å; V334-D414 WeakPolarHBondContact CG1-OD1 3.39Å; R342-D414 IonicContact CZ-OD1 3.63Å; R342-D414 IonicContact CZ-OD2 2.67Å; R342-D414 IonicContact NH1-OD1 3.56Å; R342-D414 PolarHBondContact NH1-OD1 2.89Å; R342-D414 IonicContact NH1-OD2 2.77Å; R342-D414 IonicContact NH2-OD1 2.75Å; R342-D414 IonicContact NH2-OD2 3.17Å; D414-L418 VanDerWaalsContact O-CB 3.3Å; D414-L418 WeakPolarHBondContact O-CB 3.03Å; D414-L418 PolarHBondContact O-N 2.91Å
415	E	87.9	Confident	87.8	Confident	142 Å²	142	56.6 Å²	56.6	66%	0.664	33%	0.326	S	S	*	.	H	α-helix	trans	-74	-38.7	-180	-148	70.7	-165.3	0	0	111.5	S413 L418 Q419	S413-E415 VanDerWaalsContact C-N 3.3Å; S413-E415 PolarHBondContact O-N 3.33Å; E415-L418 PolarHBondContact O-N 2.92Å; E415-Q419 WeakPolarHBondContact O-CB 3.5Å; E415-Q419 PolarHBondContact O-N 3.18Å
416	E	91.3	Very high	87.2	Confident	112 Å²	112	60.7 Å²	60.7	52%	0.523	34%	0.341	S	S	.	.	H	α-helix	trans	-67.3	-38.2	174.7	-71.3	165.9	133.5	0	0	112.2	K412 S413 A420	K412-E416 HydrophobicContact CB-CB 4.06Å; S413-E416 VanDerWaalsContact CB-OE2 3.25Å; S413-E416 WeakPolarHBondContact CB-OE2 3.48Å; S413-E416 PolarHBondContact N-OE2 2.73Å; S413-E416 PolarHBondContact O-N 2.68Å; S413-E416 VanDerWaalsContact OG-CD 3.23Å; S413-E416 VanDerWaalsContact OG-CG 3.27Å; S413-E416 WeakPolarHBondContact OG-CG 3.25Å; S413-E416 PolarHBondContact OG-N 2.93Å; S413-E416 PolarHBondContact OG-OE2 2.75Å; E416-A420 VanDerWaalsContact O-CB 3.28Å; E416-A420 WeakPolarHBondContact O-CB 3.43Å; E416-A420 PolarHBondContact O-N 3.21Å
417	L	90	Very high	86	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-45.2	173	176.2	64.4	0	0	0	110.9	L340 A399 W400 V410 S413 Q419 A420 L421	L340-L417 HydrophobicContact CD2-CD2 4.09Å; L340-L417 HydrophobicContact CD2-CG 4.46Å; A399-L417 HydrophobicContact CB-CD1 4.36Å; W400-L417 HydrophobicContact CD2-CD1 3.88Å; W400-L417 HydrophobicContact CD2-CD2 4.2Å; W400-L417 HydrophobicContact CE3-CD1 4.12Å; W400-L417 HydrophobicContact CE3-CD2 3.81Å; W400-L417 HydrophobicContact CG-CD1 4.17Å; W400-L417 HydrophobicContact CH2-CD2 3.72Å; W400-L417 HydrophobicContact CZ2-CD2 4.09Å; W400-L417 HydrophobicContact CZ3-CD2 3.55Å; V410-L417 HydrophobicContact CG1-CD1 4.1Å; V410-L417 HydrophobicContact CG1-CD2 4.1Å; V410-L417 HydrophobicContact CG1-CG 4.48Å; S413-L417 WeakPolarHBondContact O-CB 3.44Å; S413-L417 PolarHBondContact O-N 3.48Å; L417-Q419 PolarHBondContact O-N 3.46Å; L417-A420 PolarHBondContact O-N 3.16Å; L417-L421 HydrophobicContact CD1-CD1 4.22Å; L417-L421 HydrophobicContact CD1-CG 4.34Å; L417-L421 HydrophobicContact CG-CD1 4.07Å; L417-L421 WeakPolarHBondContact O-CG 3.42Å; L417-L421 PolarHBondContact O-N 3.4Å
418	L	87.6	Confident	84.9	Confident	36 Å²	36	63.6 Å²	63.6	19%	0.188	36%	0.356	C	S	.	.	H	α-helix	trans	-57.3	-49.3	176	179.7	66.5	0	0	0	111	I338 D414 E415 A420 L421 V422	I338-L418 HydrophobicContact CD1-CD1 3.32Å; I338-L418 HydrophobicContact CG1-CD1 3.9Å; D414-L418 VanDerWaalsContact O-CB 3.3Å; D414-L418 WeakPolarHBondContact O-CB 3.03Å; D414-L418 PolarHBondContact O-N 2.91Å; E415-L418 PolarHBondContact O-N 2.92Å; L418-A420 PolarHBondContact O-N 3.39Å; L418-L421 PolarHBondContact O-N 3.05Å; L418-V422 VanDerWaalsContact O-CG2 3.28Å; L418-V422 WeakPolarHBondContact O-CG2 3.44Å; L418-V422 PolarHBondContact O-N 3.4Å
419	Q	87.9	Confident	83.8	Confident	108 Å²	108	68.1 Å²	68.1	51%	0.505	37%	0.367	S	S	.	.	H	α-helix	trans	-64.1	-39.5	179.2	-172.7	60.9	36.5	0	0	112.2	E415 L417 V422 E423	E415-Q419 WeakPolarHBondContact O-CB 3.5Å; E415-Q419 PolarHBondContact O-N 3.18Å; L417-Q419 PolarHBondContact O-N 3.46Å; Q419-V422 PolarHBondContact O-N 3.41Å; Q419-E423 WeakPolarHBondContact O-CB 3.28Å; Q419-E423 PolarHBondContact O-N 2.84Å
420	A	89.2	Confident	82.8	Confident	26 Å²	26	62 Å²	62	22%	0.215	34%	0.336	C	S	.	.	H	α-helix	trans	-65	-39.5	176	0	0	0	0	0	112.3	A399 E416 L417 L418 E423 E424	A399-A420 HydrophobicContact CB-CB 3.79Å; E416-A420 VanDerWaalsContact O-CB 3.28Å; E416-A420 WeakPolarHBondContact O-CB 3.43Å; E416-A420 PolarHBondContact O-N 3.21Å; L417-A420 PolarHBondContact O-N 3.16Å; L418-A420 PolarHBondContact O-N 3.39Å; A420-E423 PolarHBondContact O-N 2.85Å; A420-E424 WeakPolarHBondContact O-CB 3.39Å; A420-E424 PolarHBondContact O-N 2.9Å
421	L	88	Confident	81.7	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-42.9	174.4	-74.9	165.9	0	0	0	112	L340 S397 A399 L417 L418 E423 H425 L434	L340-L421 HydrophobicContact CD1-CD1 3.98Å; L340-L421 HydrophobicContact CD2-CD1 4.14Å; S397-L421 WeakPolarHBondContact OG-CD2 3.42Å; A399-L421 HydrophobicContact CB-CD2 3.76Å; A399-L421 HydrophobicContact CB-CG 3.84Å; L417-L421 HydrophobicContact CD1-CD1 4.22Å; L417-L421 HydrophobicContact CD1-CG 4.34Å; L417-L421 HydrophobicContact CG-CD1 4.07Å; L417-L421 WeakPolarHBondContact O-CG 3.42Å; L417-L421 PolarHBondContact O-N 3.4Å; L418-L421 PolarHBondContact O-N 3.05Å; L421-E423 VanDerWaalsContact C-N 3.35Å; L421-H425 PolarHBondContact O-N 3.42Å; L421-H425 PolarHBondContact O-ND1 3.49Å; L421-L434 HydrophobicContact CB-CD1 4.46Å
422	V	85	Confident	80.7	Confident	21 Å²	21	58.6 Å²	58.6	13%	0.127	29%	0.294	C	S	.	.	H	α-helix	trans	-57	-49.4	173.8	174	0	0	0	0	110.5	L418 Q419 H425 R426 L431 F436	L418-V422 VanDerWaalsContact O-CG2 3.28Å; L418-V422 WeakPolarHBondContact O-CG2 3.44Å; L418-V422 PolarHBondContact O-N 3.4Å; Q419-V422 PolarHBondContact O-N 3.41Å; V422-H425 PolarHBondContact O-N 2.83Å; V422-R426 WeakPolarHBondContact O-CB 3.26Å; V422-R426 PolarHBondContact O-N 3.28Å; V422-L431 HydrophobicContact CG1-CD2 4.41Å; V422-F436 HydrophobicContact CB-CE2 4.23Å; V422-F436 HydrophobicContact CB-CZ 4.17Å; V422-F436 HydrophobicContact CG2-CE1 3.69Å; V422-F436 HydrophobicContact CG2-CE2 3.75Å; V422-F436 HydrophobicContact CG2-CZ 3.22Å
423	E	85	Confident	79.6	Confident	92 Å²	92	55.6 Å²	55.6	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-70.8	-36.4	-172.7	-162.2	61.4	-162.8	0	0	112.5	Q419 A420 L421 H425 R426 S427	Q419-E423 WeakPolarHBondContact O-CB 3.28Å; Q419-E423 PolarHBondContact O-N 2.84Å; A420-E423 PolarHBondContact O-N 2.85Å; L421-E423 VanDerWaalsContact C-N 3.35Å; E423-H425 PolarHBondContact O-N 3.5Å; E423-R426 PolarHBondContact O-N 3.15Å; E423-R426 IonicContact OE2-NH1 2.81Å; E423-R426 PolarHBondContact OE2-NH1 2.77Å; E423-S427 PolarHBondContact O-N 3.36Å; E423-S427 PolarHBondContact O-OG 2.86Å
424	E	83.7	Confident	78.2	Confident	35 Å²	35	53.2 Å²	53.2	16%	0.164	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-39.8	174.2	-167.4	170.2	125.5	0	0	112	S397 H398 A399 A420 S427 Q428	S397-E424 VanDerWaalsContact CA-OE1 3.26Å; S397-E424 WeakPolarHBondContact CA-OE1 3.35Å; S397-E424 VanDerWaalsContact CB-OE1 3.27Å; S397-E424 WeakPolarHBondContact CB-OE1 3.39Å; S397-E424 PolarHBondContact OG-OE1 2.94Å; S397-E424 PolarHBondContact OG-OE2 2.71Å; S397-E424 VanDerWaalsContact OG-OE2 3.07Å; H398-E424 PolarHBondContact N-OE1 3.27Å; H398-E424 PolarHBondContact N-OE2 3.37Å; A399-E424 PolarHBondContact N-OE2 2.97Å; A420-E424 WeakPolarHBondContact O-CB 3.39Å; A420-E424 PolarHBondContact O-N 2.9Å; E424-S427 PolarHBondContact O-N 2.8Å; E424-S427 PolarHBondContact O-OG 2.99Å; E424-Q428 VanDerWaalsContact O-CG 3.31Å; E424-Q428 WeakPolarHBondContact O-CG 3.45Å; E424-Q428 PolarHBondContact O-N 3.41Å
425	H	80.8	Confident	76.7	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-78.2	-24.3	176.7	-68.9	71.3	0	0	0	112.9	P393 L421 V422 E423 E429 S430 L431 L434	P393-H425 VanDerWaalsContact CB-NE2 3.3Å; P393-H425 WeakPolarHBondContact CB-NE2 3.31Å; P393-H425 PolarHBondContact O-CE1 2.72Å; P393-H425 PolarHBondContact O-NE2 3.28Å; L421-H425 PolarHBondContact O-N 3.42Å; L421-H425 PolarHBondContact O-ND1 3.49Å; V422-H425 PolarHBondContact O-N 2.83Å; E423-H425 PolarHBondContact O-N 3.5Å; H425-E429 PolarHBondContact O-N 2.93Å; H425-S430 PolarHBondContact CD2-OG 2.84Å; H425-S430 CarbonylContact O-C 3.55Å; H425-S430 PolarHBondContact O-N 3.01Å; H425-S430 PolarHBondContact O-OG 3.3Å; H425-L431 HydrophobicContact CB-CD2 4.13Å; H425-L431 PolarHBondContact O-N 2.84Å; H425-L431 VanDerWaalsContact O-N 3.16Å; H425-L434 HydrophobicContact CB-CD1 4.19Å; H425-L434 VanDerWaalsContact CE1-CD1 3.47Å; H425-L434 WeakPolarHBondContact CE1-CD1 3.44Å; H425-L434 VanDerWaalsContact CG-CD1 3.48Å; H425-L434 VanDerWaalsContact ND1-CD1 3.27Å; H425-L434 WeakPolarHBondContact ND1-CD1 3.28Å
426	R	78.9	Confident	75	Confident	89 Å²	89	48.4 Å²	48.4	34%	0.336	24%	0.242	S	C	.	.	H	α-helix	trans	-68.4	-44.5	169.7	-177.6	176.7	-76.4	136.6	-7.5	111	V422 E423 Q428 E429 L431	V422-R426 WeakPolarHBondContact O-CB 3.26Å; V422-R426 PolarHBondContact O-N 3.28Å; E423-R426 PolarHBondContact O-N 3.15Å; E423-R426 IonicContact OE2-NH1 2.81Å; E423-R426 PolarHBondContact OE2-NH1 2.77Å; R426-Q428 VanDerWaalsContact C-N 3.26Å; R426-Q428 PolarHBondContact O-N 3.39Å; R426-E429 PolarHBondContact O-N 2.99Å; R426-L431 HydrophobicContact CB-CD1 3.98Å; R426-L431 HydrophobicContact CB-CD2 4.17Å; R426-L431 HydrophobicContact CB-CG 4.12Å; R426-L431 HydrophobicContact CG-CD1 4.12Å
427	S	69.5	Low	72.6	Confident	93 Å²	93	49 Å²	49	65%	0.65	25%	0.246	S	C	*	.	H	α-helix	trans	-69.8	-23.1	-179.8	69	0	0	0	0	113.7	E423 E424	E423-S427 PolarHBondContact O-N 3.36Å; E423-S427 PolarHBondContact O-OG 2.86Å; E424-S427 PolarHBondContact O-N 2.8Å; E424-S427 PolarHBondContact O-OG 2.99Å
428	Q	69.9	Low	70.2	Confident	109 Å²	109	51.7 Å²	51.7	51%	0.509	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	5.7	173.4	-67.5	174.2	-0.3	0	0	113.9	E424 R426 S430	E424-Q428 VanDerWaalsContact O-CG 3.31Å; E424-Q428 WeakPolarHBondContact O-CG 3.45Å; E424-Q428 PolarHBondContact O-N 3.41Å; R426-Q428 VanDerWaalsContact C-N 3.26Å; R426-Q428 PolarHBondContact O-N 3.39Å; Q428-S430 PolarHBondContact O-N 2.94Å
429	E	64.8	Low	67.6	Low	131 Å²	131	55.1 Å²	55.1	61%	0.612	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	7.3	-172.3	-54.8	-167.5	172.2	0	0	115.2	H425 R426 L431 P504	H425-E429 PolarHBondContact O-N 2.93Å; R426-E429 PolarHBondContact O-N 2.99Å; E429-L431 PolarHBondContact O-N 2.9Å; E429-P504 WeakPolarHBondContact OE2-CD 3.45Å; E429-P504 WeakPolarHBondContact OE2-CG 3.12Å
430	S	67.1	Low	65	Low	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.285	C	S	.	.			trans	-95.3	15.9	-169.3	71.7	0	0	0	0	114.1	H425 Q428 H432 L433	H425-S430 PolarHBondContact CD2-OG 2.84Å; H425-S430 CarbonylContact O-C 3.55Å; H425-S430 PolarHBondContact O-N 3.01Å; H425-S430 PolarHBondContact O-OG 3.3Å; Q428-S430 PolarHBondContact O-N 2.94Å; S430-H432 PolarHBondContact O-N 3.36Å; S430-L433 VanDerWaalsContact O-CB 3.26Å; S430-L433 WeakPolarHBondContact O-CB 3.42Å; S430-L433 WeakPolarHBondContact O-CG 3.47Å; S430-L433 PolarHBondContact O-N 2.73Å
431	L	59.1	Low	62	Low	17 Å²	17	57.6 Å²	57.6	9%	0.089	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-48.3	-30.8	-179.9	-81.6	171.2	0	0	0	115	V422 H425 R426 E429 L433 L434 F436	V422-L431 HydrophobicContact CG1-CD2 4.41Å; H425-L431 HydrophobicContact CB-CD2 4.13Å; H425-L431 PolarHBondContact O-N 2.84Å; H425-L431 VanDerWaalsContact O-N 3.16Å; R426-L431 HydrophobicContact CB-CD1 3.98Å; R426-L431 HydrophobicContact CB-CD2 4.17Å; R426-L431 HydrophobicContact CB-CG 4.12Å; R426-L431 HydrophobicContact CG-CD1 4.12Å; E429-L431 PolarHBondContact O-N 2.9Å; L431-L433 PolarHBondContact O-N 3.21Å; L431-L434 PolarHBondContact O-N 3.06Å; L431-F436 HydrophobicContact CD2-CD2 3.71Å; L431-F436 HydrophobicContact CD2-CE2 4.26Å
432	H	64	Low	59	Low	21 Å²	21	61.8 Å²	61.8	10%	0.097	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-62.7	-18.6	176.6	74.7	-85.2	0	0	0	113.2	S430	S430-H432 PolarHBondContact O-N 3.36Å
433	L	63.4	Low	56.3	Low	17 Å²	17	66.6 Å²	66.6	9%	0.089	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-73	-32.5	179.6	-65.6	-178.7	0	0	0	113.7	R281 P393 S430 L431 D435 E510 L511	R281-L433 VanDerWaalsContact NH2-CA 3.29Å; R281-L433 PolarHBondContact NH2-O 3.49Å; P393-L433 HydrophobicContact CB-CD1 4.47Å; S430-L433 VanDerWaalsContact O-CB 3.26Å; S430-L433 WeakPolarHBondContact O-CB 3.42Å; S430-L433 WeakPolarHBondContact O-CG 3.47Å; S430-L433 PolarHBondContact O-N 2.73Å; L431-L433 PolarHBondContact O-N 3.21Å; L433-D435 VanDerWaalsContact C-N 3.27Å; L433-D435 PolarHBondContact O-N 2.92Å; L433-E510 HydrophobicContact CD1-CB 4.19Å; L433-E510 VanDerWaalsContact CD2-O 3.3Å; L433-E510 WeakPolarHBondContact CD2-O 3.43Å; L433-L511 HydrophobicContact CD2-CD2 4.29Å
434	L	60.6	Low	53.4	Low	7 Å²	7	72 Å²	72	4%	0.037	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-89.7	14.5	-179.5	-69.1	-173.7	0	0	0	113.5	P393 I394 L421 H425 L431 F436	P393-L434 HydrophobicContact CB-CD2 4.37Å; I394-L434 HydrophobicContact CD1-CD2 4.12Å; I394-L434 HydrophobicContact CG1-CD2 3.38Å; L421-L434 HydrophobicContact CB-CD1 4.46Å; H425-L434 HydrophobicContact CB-CD1 4.19Å; H425-L434 VanDerWaalsContact CE1-CD1 3.47Å; H425-L434 WeakPolarHBondContact CE1-CD1 3.44Å; H425-L434 VanDerWaalsContact CG-CD1 3.48Å; H425-L434 VanDerWaalsContact ND1-CD1 3.27Å; H425-L434 WeakPolarHBondContact ND1-CD1 3.28Å; L431-L434 PolarHBondContact O-N 3.06Å; L434-F436 HydrophobicContact CB-CD2 3.5Å; L434-F436 VanDerWaalsContact CB-CD2 3.5Å; L434-F436 HydrophobicContact CB-CE2 3.43Å; L434-F436 VanDerWaalsContact CB-CE2 3.43Å; L434-F436 HydrophobicContact CB-CG 4.26Å; L434-F436 HydrophobicContact CB-CZ 4.11Å; L434-F436 HydrophobicContact CD1-CD2 4.22Å; L434-F436 HydrophobicContact CD1-CE2 3.36Å; L434-F436 HydrophobicContact CD1-CZ 3.96Å; L434-F436 HydrophobicContact CG-CD2 4.44Å; L434-F436 HydrophobicContact CG-CE2 4.01Å; L434-F436 PolarHBondContact O-N 2.89Å; L434-F436 VanDerWaalsContact O-N 3.07Å
435	D	57.1	Low	50.6	Low	61 Å²	61	78.3 Å²	78.3	33%	0.326	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	24.6	-176.3	-67.9	-26.4	0	0	0	113.5	F255 R281 L433	F255-D435 WeakPolarHBondContact CE2-OD1 3.44Å; R281-D435 IonicContact NE-OD1 3.22Å; L433-D435 VanDerWaalsContact C-N 3.27Å; L433-D435 PolarHBondContact O-N 2.92Å
436	F	51.3	Low	48	Very low	36 Å²	36	83.2 Å²	83.2	16%	0.158	46%	0.463	C	S	.	.			trans	-63.9	145.7	179.9	-76.5	-56.2	0	0	0	112.4	I338 V422 L431 L434	I338-F436 HydrophobicContact CG2-CD1 3.9Å; I338-F436 HydrophobicContact CG2-CE1 3.26Å; I338-F436 HydrophobicContact CG2-CZ 3.74Å; V422-F436 HydrophobicContact CB-CE2 4.23Å; V422-F436 HydrophobicContact CB-CZ 4.17Å; V422-F436 HydrophobicContact CG2-CE1 3.69Å; V422-F436 HydrophobicContact CG2-CE2 3.75Å; V422-F436 HydrophobicContact CG2-CZ 3.22Å; L431-F436 HydrophobicContact CD2-CD2 3.71Å; L431-F436 HydrophobicContact CD2-CE2 4.26Å; L434-F436 HydrophobicContact CB-CD2 3.5Å; L434-F436 VanDerWaalsContact CB-CD2 3.5Å; L434-F436 HydrophobicContact CB-CE2 3.43Å; L434-F436 VanDerWaalsContact CB-CE2 3.43Å; L434-F436 HydrophobicContact CB-CG 4.26Å; L434-F436 HydrophobicContact CB-CZ 4.11Å; L434-F436 HydrophobicContact CD1-CD2 4.22Å; L434-F436 HydrophobicContact CD1-CE2 3.36Å; L434-F436 HydrophobicContact CD1-CZ 3.96Å; L434-F436 HydrophobicContact CG-CD2 4.44Å; L434-F436 HydrophobicContact CG-CE2 4.01Å; L434-F436 PolarHBondContact O-N 2.89Å; L434-F436 VanDerWaalsContact O-N 3.07Å
437	M	41.6	Very low	45.5	Very low	125 Å²	125	85.7 Å²	85.7	62%	0.616	48%	0.479	S	S	*	.			trans	-88.1	136.8	157.6	-49.3	-163.3	75.2	0	0	106.8	A178 D439	A178-M437 HydrophobicContact CB-CE 3.31Å; A178-M437 HydrophobicContact CB-SD 3.93Å; M437-D439 VanDerWaalsContact C-N 3.32Å; M437-D439 PolarHBondContact O-N 3.48Å
438	D	40.3	Very low	43.4	Very low	58 Å²	58	89.2 Å²	89.2	31%	0.31	48%	0.483	S	S	.	.			trans	-76.7	83.4	-173.4	-142.8	-22.6	0	0	0	109.8	S440 R503	D438-S440 PolarHBondContact O-N 3.17Å; D438-R503 IonicContact OD2-CZ 3.66Å; D438-R503 IonicContact OD2-NH1 2.66Å; D438-R503 IonicContact OD2-NH2 3.79Å; D438-R503 PolarHBondContact OD2-NH2 2.85Å
439	D	33.5	Very low	41.2	Very low	109 Å²	109	90.6 Å²	90.6	58%	0.583	50%	0.499	S	S	*	.			trans	-76.3	59.7	174.1	-160.1	-6.6	0	0	0	109.8	M437 S441	M437-D439 VanDerWaalsContact C-N 3.32Å; M437-D439 PolarHBondContact O-N 3.48Å; D439-S441 VanDerWaalsContact C-N 3.26Å; D439-S441 PolarHBondContact O-N 2.96Å; D439-S441 PolarHBondContact OD1-OG 3.46Å
440	S	31.9	Very low	39.3	Very low	88 Å²	88	92.3 Å²	92.3	62%	0.615	51%	0.512	S	S	*	.			trans	-91.1	50.5	-178.8	74.8	0	0	0	0	111.3	D438	D438-S440 PolarHBondContact O-N 3.17Å
441	S	27.2	Very low	37.1	Very low	97 Å²	97	97.1 Å²	97.1	68%	0.678	54%	0.541	S	S	*	.			trans	-102.2	47.8	163	58.6	0	0	0	0	111.6	D439	D439-S441 VanDerWaalsContact C-N 3.26Å; D439-S441 PolarHBondContact O-N 2.96Å; D439-S441 PolarHBondContact OD1-OG 3.46Å
442	A	25.1	Very low	35.4	Very low	90 Å²	90	105.3 Å²	105.3	74%	0.744	58%	0.577	S	S	*	*			trans	-110.2	88.8	169.7	0	0	0	0	0	109.4	K444	A442-K444 PolarHBondContact O-N 2.99Å
443	V	27.3	Very low	33.5	Very low	122 Å²	122	109.8 Å²	109.8	74%	0.739	61%	0.608	S	S	*	*			trans	-65.3	124.5	173.6	179.1	0	0	0	0	109.5	E445	V443-E445 HydrophobicContact CG1-CG 4.08Å
444	K	24.3	Very low	31.5	Very low	204 Å²	204	113.5 Å²	113.5	89%	0.887	64%	0.641	S	S	*	*			trans	-132.8	106.4	148.6	-77.6	-166.9	176.5	179.5	0	109.1	A442 A446	A442-K444 PolarHBondContact O-N 2.99Å; K444-A446 PolarHBondContact O-N 3.3Å
445	E	25.7	Very low	29.8	Very low	168 Å²	168	122.3 Å²	122.3	79%	0.785	68%	0.681	S	S	*	*			trans	-63	124.2	167.9	-65.8	167.5	131.8	0	0	108.8	V443 E447	V443-E445 HydrophobicContact CG1-CG 4.08Å; E445-E447 PolarHBondContact O-N 3.17Å
446	A	24.9	Very low	28.1	Very low	105 Å²	105	125.6 Å²	125.6	87%	0.868	70%	0.704	S	S	*	*			trans	-93.7	79.2	165.8	0	0	0	0	0	108.4	K444 K448	K444-A446 PolarHBondContact O-N 3.3Å; A446-K448 PolarHBondContact O-N 3.28Å
447	E	26.5	Very low	26.8	Very low	142 Å²	142	133.2 Å²	133.2	66%	0.664	74%	0.74	S	S	*	*			trans	-69.8	116.5	169.6	-81.1	-147.2	106.2	0	0	111.1	E445	E445-E447 PolarHBondContact O-N 3.17Å
448	K	26.4	Very low	25.7	Very low	167 Å²	167	134 Å²	134	73%	0.726	75%	0.747	S	S	*	*			trans	40.6	106.2	142.1	-59.3	168.7	-168.4	131.8	0	118.1	A446	A446-K448 PolarHBondContact O-N 3.28Å
449	T	23.1	Very low	24.9	Very low	138 Å²	138	140.6 Å²	140.6	85%	0.847	77%	0.773	S	S	*	*			trans	-132.6	99.1	139.9	16.1	0	0	0	0	110.1
450	N	24.2	Very low	24.4	Very low	166 Å²	166	140 Å²	140	89%	0.888	78%	0.777	S	S	*	*			trans	-86.6	110.8	171.1	-98.2	-2.7	0	0	0	110.2
451	T	21	Very low	23.9	Very low	102 Å²	102	144.5 Å²	144.5	63%	0.626	79%	0.789	S	S	*	*			trans	-174.9	116.4	166.2	15.5	0	0	0	0	106
452	F	23.3	Very low	23.7	Very low	188 Å²	188	149.9 Å²	149.9	83%	0.825	80%	0.8	S	S	*	*			cis	-166.6	-165.3	37.5	-82.6	-82.1	0	0	0	107.5
453	P	24.9	Very low	23.5	Very low	116 Å²	116	154.6 Å²	154.6	75%	0.753	81%	0.807	S	S	*	*				-116.2	177.1	-60.5	35.3	-21.5	0	0	0	111
454	A	21.8	Very low	23.3	Very low	94 Å²	94	156.5 Å²	156.5	78%	0.777	81%	0.813	S	S	*	*			trans	-66.8	135.9	175.8	0	0	0	0	0	113
455	Q	23.8	Very low	23.2	Very low	192 Å²	192	150.8 Å²	150.8	90%	0.897	80%	0.799	S	S	*	*			trans	-130	117.8	145.3	-74	-167.1	-22.8	0	0	108.8
456	T	21.5	Very low	23.1	Very low	131 Å²	131	148.3 Å²	148.3	80%	0.804	80%	0.8	S	S	*	*			trans	-66.7	137.7	167.7	46.1	0	0	0	0	110
457	E	24	Very low	23	Very low	195 Å²	195	151.8 Å²	151.8	91%	0.911	80%	0.798	S	S	*	*				-140.5	143.8	125.9	-77.2	-143.9	157.8	0	0	109.7
458	D	19.6	Very low	22.9	Very low	143 Å²	143	151.2 Å²	151.2	77%	0.765	80%	0.804	S	S	*	*			trans	-85	149.5	-174.5	-147	-24.3	0	0	0	109.7
459	F	23.1	Very low	22.9	Very low	195 Å²	195	148.9 Å²	148.9	86%	0.855	81%	0.806	S	S	*	*			trans	-171.9	93.3	143.7	-107.5	-65.7	0	0	0	113.2
460	S	22.5	Very low	23	Very low	96 Å²	96	147.6 Å²	147.6	67%	0.671	80%	0.8	S	S	*	*			trans	45.1	122	143.1	68.9	0	0	0	0	121.2
461	E	21.3	Very low	22.9	Very low	183 Å²	183	147.5 Å²	147.5	86%	0.855	79%	0.794	S	S	*	*			trans	-51.2	151.8	164.3	-55.5	161.4	143.2	0	0	114.5
462	K	22.9	Very low	22.9	Very low	211 Å²	211	151.1 Å²	151.1	92%	0.917	80%	0.804	S	S	*	*			trans	-154.5	111.4	137.1	-113.9	167.5	-168.9	173.7	0	111
463	E	21.3	Very low	22.9	Very low	188 Å²	188	150.3 Å²	150.3	88%	0.879	80%	0.802	S	S	*	*			trans	-63.9	146.8	168.3	-55.2	177.7	121.2	0	0	110.6
464	N	23.5	Very low	22.8	Very low	163 Å²	163	153.1 Å²	153.1	87%	0.872	81%	0.805	S	S	*	*				-150.3	140.7	124.8	-155.1	4.9	0	0	0	111.9
465	S	21.1	Very low	22.8	Very low	84 Å²	84	154 Å²	154	59%	0.587	81%	0.806	S	S	*	*			trans	-81.2	150.9	178.8	176.1	0	0	0	0	111.8
466	S	24.1	Very low	22.8	Very low	116 Å²	116	151.9 Å²	151.9	81%	0.811	81%	0.806	S	S	*	*			trans	-168.9	89	139.4	-82.6	0	0	0	0	113
467	Q	23.6	Very low	22.8	Very low	177 Å²	177	149.5 Å²	149.5	83%	0.827	81%	0.808	S	S	*	*			trans	40.2	119.8	132.6	-64.3	179.4	-15.9	0	0	121.7
468	V	25	Very low	22.8	Very low	131 Å²	131	146 Å²	146	79%	0.794	81%	0.805	S	S	*	*			trans	-74.6	151.4	154.8	173.2	0	0	0	0	110.7
469	P	25.2	Very low	22.9	Very low	117 Å²	117	146 Å²	146	76%	0.76	81%	0.811	S	S	*	*			trans	-115.6	153.4	140.2	-3	23.6	0	0	0	113
470	P	24.5	Very low	23	Very low	112 Å²	112	140.8 Å²	140.8	73%	0.727	81%	0.812	S	S	*	*			trans	-102.4	165.3	-159.7	39.8	-36.8	0	0	0	116.3
471	E	23.2	Very low	23.1	Very low	163 Å²	163	141.1 Å²	141.1	76%	0.762	82%	0.82	S	S	*	*			trans	21.7	129.4	145.2	-58.9	-178.9	177.9	0	0	121.3
472	E	21.1	Very low	23.5	Very low	178 Å²	178	141.6 Å²	141.6	83%	0.832	82%	0.822	S	S	*	*			trans	-131.7	119.7	132.1	-78.3	-159.3	158.6	0	0	111.1
473	H	23.3	Very low	23.9	Very low	171 Å²	171	136.5 Å²	136.5	79%	0.792	81%	0.813	S	S	*	*			trans	-84.3	123.8	165	-91.8	-76.5	0	0	0	109.9
474	Q	23.2	Very low	24.6	Very low	175 Å²	175	130.6 Å²	130.6	82%	0.818	80%	0.802	S	S	*	*			trans	-131.9	123.9	156.8	-70.4	-166.6	13.2	0	0	111.2
475	S	21.7	Very low	25.4	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	80%	0.801	S	S	*	*			trans	-114.8	117.6	178.4	48.1	0	0	0	0	110
476	T	22.3	Very low	26.7	Very low	147 Å²	147	136.7 Å²	136.7	90%	0.902	81%	0.813	S	S	*	*			trans	-149.4	139.4	163.3	48.3	0	0	0	0	112.6
477	G	22.6	Very low	28.2	Very low	82 Å²	82	133.3 Å²	133.3	85%	0.845	79%	0.79	S	S	*	*			trans	84.3	93.7	142.8	0	0	0	0	0	118.4
478	S	23.2	Very low	30	Very low	120 Å²	120	129.4 Å²	129.4	84%	0.839	78%	0.78	S	S	*	*			trans	-81.4	135.6	161.7	55.5	0	0	0	0	112
479	T	22.3	Very low	31.8	Very low	145 Å²	145	126.5 Å²	126.5	89%	0.89	76%	0.764	S	S	*	*			trans	-146.1	138.9	143.7	39.5	0	0	0	0	108.4
480	G	24.5	Very low	33.8	Very low	85 Å²	85	122.8 Å²	122.8	88%	0.876	75%	0.747	S	S	*	*			trans	-81.7	153	-165.1	0	0	0	0	0	115
481	A	24.6	Very low	36.6	Very low	102 Å²	102	118.7 Å²	118.7	84%	0.843	72%	0.721	S	S	*	*			trans	-147.9	154.5	162.4	0	0	0	0	0	110.3
482	E	31.3	Very low	39.7	Very low	193 Å²	193	119.7 Å²	119.7	90%	0.902	72%	0.718	S	S	*	*			trans	-74.7	131	-176.3	-58.6	164.9	123.7	0	0	111.9
483	S	31.3	Very low	43.1	Very low	105 Å²	105	111.5 Å²	111.5	73%	0.734	68%	0.68	S	S	*	*			trans	180	139.6	136.8	40.4	0	0	0	0	109.8	Q485	S483-Q485 PolarHBondContact O-N 3.43Å
484	G	35.9	Very low	46.3	Very low	63 Å²	63	108.9 Å²	108.9	65%	0.649	67%	0.667	S	S	*	*			trans	-69.5	115.7	157.2	0	0	0	0	0	106.8	K486	G484-K486 PolarHBondContact O-N 2.62Å
485	Q	38.9	Very low	49.5	Very low	182 Å²	182	101.4 Å²	101.4	85%	0.85	63%	0.633	S	S	*	*			trans	-58.4	101.7	173.7	-75.5	179.1	-39.4	0	0	108.4	S483 S487	S483-Q485 PolarHBondContact O-N 3.43Å; Q485-S487 VanDerWaalsContact C-N 3.26Å; Q485-S487 PolarHBondContact O-N 2.8Å
486	K	49	Very low	52.7	Low	193 Å²	193	96.3 Å²	96.3	84%	0.839	60%	0.597	S	S	*	*			trans	-72.4	91	163.9	-75.5	-170.7	176.5	-172.7	0	106.5	G484	G484-K486 PolarHBondContact O-N 2.62Å
487	S	55.4	Low	55.7	Low	45 Å²	45	91.5 Å²	91.5	32%	0.315	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-49.5	142.7	165.7	-45.7	0	0	0	0	109.1	Y152 Q485 S491	Y152-S487 WeakPolarHBondContact CE2-OG 3.3Å; Q485-S487 VanDerWaalsContact C-N 3.26Å; Q485-S487 PolarHBondContact O-N 2.8Å; S487-S491 WeakPolarHBondContact CB-OG 3.25Å
488	P	62.3	Low	58.8	Low	96 Å²	96	89.1 Å²	89.1	62%	0.623	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-59.1	143.3	-178.9	24.2	-33.5	0	0	0	110.7	G490 S491	P488-G490 PolarHBondContact O-N 3.34Å; P488-S491 WeakPolarHBondContact O-CB 3.27Å; P488-S491 PolarHBondContact O-N 3.18Å; P488-S491 PolarHBondContact O-OG 3.23Å
489	P	61.2	Low	61.8	Low	69 Å²	69	83.6 Å²	83.6	45%	0.448	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	129.9	175.4	-28.9	36	0	0	0	111.8	C149	C149-P489 HydrophobicContact CB-CB 4.08Å
490	G	68.3	Low	64.8	Low	39 Å²	39	83 Å²	83	40%	0.402	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-0.1	-173.7	0	0	0	0	0	116	P150 P488	P150-G490 PolarHBondContact O-N 2.69Å; P488-G490 PolarHBondContact O-N 3.34Å
491	S	82.9	Confident	67.5	Low	26 Å²	26	82.8 Å²	82.8	18%	0.182	46%	0.461	C	S	.	.			trans	-58.3	139.9	169.5	62.8	0	0	0	0	111.8	H218 S487 P488	H218-S491 PolarHBondContact CE1-O 2.74Å; H218-S491 PolarHBondContact NE2-O 2.7Å; H218-S491 VanDerWaalsContact NE2-O 3.09Å; S487-S491 WeakPolarHBondContact CB-OG 3.25Å; P488-S491 WeakPolarHBondContact O-CB 3.27Å; P488-S491 PolarHBondContact O-N 3.18Å; P488-S491 PolarHBondContact O-OG 3.23Å
492	R	89.1	Confident	70	Confident	185 Å²	185	84.7 Å²	84.7	70%	0.698	46%	0.462	S	S	*	.			trans	-80.2	147.2	169.4	-65.7	177.2	81.4	163.5	3.4	110.5	C499	R492-C499 PolarHBondContact NE-O 2.74Å; R492-C499 PolarHBondContact NH2-O 3.2Å
493	D	91.6	Very high	72.1	Confident	6 Å²	6	79.5 Å²	79.5	3%	0.032	43%	0.434	C	S	.	.			trans	-120.1	134	179.5	-178.7	-95.9	0	0	0	110.4	Y152 R192 H218 L495 C496 C499	Y152-D493 PolarHBondContact OH-OD2 2.81Å; R192-D493 IonicContact CZ-OD1 2.74Å; R192-D493 IonicContact CZ-OD2 3.53Å; R192-D493 VanDerWaalsContact CZ-OD2 3.24Å; R192-D493 VanDerWaalsContact NH1-CG 3.27Å; R192-D493 IonicContact NH1-OD1 2.92Å; R192-D493 PolarHBondContact NH1-OD1 2.91Å; R192-D493 IonicContact NH1-OD2 2.9Å; R192-D493 PolarHBondContact NH1-OD2 3.13Å; R192-D493 IonicContact NH2-OD1 3.19Å; R192-D493 PolarHBondContact NH2-OD1 2.86Å; R192-D493 IonicContact NH2-OD2 2.76Å; R192-D493 PolarHBondContact NH2-OD2 3.05Å; H218-D493 HydrophobicContact CB-CB 3.75Å; D493-L495 PolarHBondContact OD1-N 2.94Å; D493-L495 VanDerWaalsContact OD1-N 3.13Å; D493-C496 HydrophobicContact CB-CB 3.76Å; D493-C496 WeakPolarHBondContact OD1-CB 3.2Å; D493-C496 PolarHBondContact OD1-N 2.9Å; D493-C499 PolarHBondContact N-SG 3.35Å; D493-C499 WeakPolarHBondContact O-CB 3.42Å
494	H	91.3	Very high	74.6	Confident	115 Å²	115	78.5 Å²	78.5	53%	0.532	43%	0.425	S	S	.	.	S	Bend	trans	-83.5	-14.5	-172.9	66.5	-68.4	0	0	0	114.2	E190 K500	E190-H494 IonicContact OE1-CD2 3.82Å; E190-H494 IonicContact OE1-CE1 3.39Å; E190-H494 PolarHBondContact OE1-CE1 3.38Å; E190-H494 IonicContact OE1-NE2 2.7Å; E190-H494 PolarHBondContact OE1-NE2 2.81Å; E190-H494 IonicContact OE2-CE1 3.39Å; E190-H494 PolarHBondContact OE2-CE1 3.43Å; E190-H494 IonicContact OE2-NE2 3.55Å; H494-K500 WeakPolarHBondContact O-CE 3.3Å; H494-K500 PolarHBondContact O-NZ 2.83Å
495	L	90.3	Very high	77.2	Confident	18 Å²	18	79.4 Å²	79.4	9%	0.094	42%	0.416	C	S	.	.	S	Bend	trans	-88	-31.4	169.3	-65.6	-163	0	0	0	111.9	Y183 K186 A187 E190 D493 S497	Y183-L495 HydrophobicContact CD2-CB 4.36Å; Y183-L495 HydrophobicContact CE2-CB 3.95Å; K186-L495 HydrophobicContact CB-CD1 3.84Å; K186-L495 HydrophobicContact CB-CD2 3.8Å; K186-L495 HydrophobicContact CD-CD2 4.11Å; K186-L495 HydrophobicContact CG-CD2 4.46Å; A187-L495 HydrophobicContact CB-CD1 4.21Å; E190-L495 WeakPolarHBondContact OE1-CD1 3.41Å; E190-L495 WeakPolarHBondContact OE1-CD2 3.37Å; E190-L495 WeakPolarHBondContact OE1-CG 3.12Å; E190-L495 WeakPolarHBondContact OE2-CD1 3.23Å; D493-L495 PolarHBondContact OD1-N 2.94Å; D493-L495 VanDerWaalsContact OD1-N 3.13Å; L495-S497 PolarHBondContact O-N 2.86Å
496	C	89.1	Confident	79.6	Confident	6 Å²	6	71.3 Å²	71.3	4%	0.041	38%	0.379	C	S	.	.			trans	-58.6	124	177.8	-172.9	0	0	0	0	112.2	H218 D493 C499	H218-C496 HydrophobicContact CB-CB 4.04Å; D493-C496 HydrophobicContact CB-CB 3.76Å; D493-C496 WeakPolarHBondContact OD1-CB 3.2Å; D493-C496 PolarHBondContact OD1-N 2.9Å; C496-C499 HydrophobicContact CB-CB 3.85Å
497	S	85.1	Confident	81.4	Confident	47 Å²	47	65.8 Å²	65.8	33%	0.329	36%	0.361	S	S	.	.	S	Bend	trans	-64.1	-50.9	173	45.4	0	0	0	0	111.2	L495 C499 K500 L501	L495-S497 PolarHBondContact O-N 2.86Å; S497-C499 PolarHBondContact O-N 2.9Å; S497-K500 WeakPolarHBondContact O-CB 3.42Å; S497-K500 PolarHBondContact O-N 3.34Å; S497-L501 PolarHBondContact O-N 2.93Å
498	E	86.4	Confident	82.8	Confident	31 Å²	31	69.5 Å²	69.5	15%	0.145	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.3	178.9	-63.1	-72.8	116.9	0	0	113.4	H220 R254 K500 R503	H220-E498 HydrophobicContact CB-CB 4.1Å; H220-E498 HydrophobicContact CB-CG 4.43Å; R254-E498 IonicContact CZ-OE2 2.9Å; R254-E498 IonicContact NH1-OE1 2.74Å; R254-E498 IonicContact NH1-OE2 3.24Å; R254-E498 PolarHBondContact NH1-OE2 3.29Å; R254-E498 VanDerWaalsContact NH1-OE2 3.15Å; R254-E498 IonicContact NH2-OE2 3.2Å; R254-E498 PolarHBondContact NH2-OE2 3.32Å; E498-K500 PolarHBondContact O-N 3.22Å; E498-R503 IonicContact OE1-CZ 3.35Å; E498-R503 IonicContact OE1-NE 3.59Å; E498-R503 IonicContact OE1-NH2 2.91Å; E498-R503 PolarHBondContact OE1-NH2 3.18Å; E498-R503 IonicContact OE2-NE 2.7Å; E498-R503 IonicContact OE2-NH2 3.58Å
499	C	87.8	Confident	83.9	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.034	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.3	172.8	-86.2	0	0	0	0	114.6	H218 H220 R492 D493 C496 S497	H218-C499 PolarHBondContact CE1-SG 3.01Å; H218-C499 PolarHBondContact ND1-SG 2.95Å; H220-C499 PolarHBondContact NE2-SG 3.36Å; H220-C499 VanDerWaalsContact NE2-SG 3.39Å; R492-C499 PolarHBondContact NE-O 2.74Å; R492-C499 PolarHBondContact NH2-O 3.2Å; D493-C499 PolarHBondContact N-SG 3.35Å; D493-C499 WeakPolarHBondContact O-CB 3.42Å; C496-C499 HydrophobicContact CB-CB 3.85Å; S497-C499 PolarHBondContact O-N 2.9Å
500	K	84.8	Confident	85.2	Confident	131 Å²	131	68.4 Å²	68.4	57%	0.57	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-22.1	-179.7	-61.2	167.1	-171.3	167	0	112	H494 S497 E498	H494-K500 WeakPolarHBondContact O-CE 3.3Å; H494-K500 PolarHBondContact O-NZ 2.83Å; S497-K500 WeakPolarHBondContact O-CB 3.42Å; S497-K500 PolarHBondContact O-N 3.34Å; E498-K500 PolarHBondContact O-N 3.22Å
501	L	81.7	Confident	86.3	Confident	81 Å²	81	66.6 Å²	66.6	42%	0.424	33%	0.334	S	S	.	.			trans	-78.9	143.4	175.1	-61.3	176.2	0	0	0	110.2	S497 R503	S497-L501 PolarHBondContact O-N 2.93Å; L501-R503 VanDerWaalsContact CD1-NH2 3.35Å
502	V	75.6	Confident	86.7	Confident	143 Å²	143	66.8 Å²	66.8	87%	0.867	33%	0.333	S	S	*	.			trans	-114.8	105.6	162.5	-179.3	0	0	0	0	104.8
503	R	76.3	Confident	87	Confident	83 Å²	83	58 Å²	58	31%	0.313	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-97.5	140.3	171.6	-57.2	-176	-168.5	-98.2	3.5	107.3	D438 E498 L501	D438-R503 IonicContact OD2-CZ 3.66Å; D438-R503 IonicContact OD2-NH1 2.66Å; D438-R503 IonicContact OD2-NH2 3.79Å; D438-R503 PolarHBondContact OD2-NH2 2.85Å; E498-R503 IonicContact OE1-CZ 3.35Å; E498-R503 IonicContact OE1-NE 3.59Å; E498-R503 IonicContact OE1-NH2 2.91Å; E498-R503 PolarHBondContact OE1-NH2 3.18Å; E498-R503 IonicContact OE2-NE 2.7Å; E498-R503 IonicContact OE2-NH2 3.58Å; L501-R503 VanDerWaalsContact CD1-NH2 3.35Å
504	P	84.8	Confident	87.3	Confident	84 Å²	84	58.6 Å²	58.6	55%	0.545	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-60.1	154.3	167.3	27.7	-33.6	0	0	0	110	E429	E429-P504 WeakPolarHBondContact OE2-CD 3.45Å; E429-P504 WeakPolarHBondContact OE2-CG 3.12Å
505	D	88.6	Confident	87.6	Confident	83 Å²	83	53.3 Å²	53.3	44%	0.444	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-67.1	138.6	167.6	-76.8	-46.9	0	0	0	109.4	L145 K147	L145-D505 HydrophobicContact CD1-CB 3.73Å; K147-D505 WeakPolarHBondContact CE-OD1 3.45Å; K147-D505 IonicContact NZ-OD1 2.87Å; K147-D505 PolarHBondContact NZ-OD1 2.89Å; K147-D505 IonicContact NZ-OD2 3.57Å; K147-D505 PolarHBondContact NZ-OD2 3.41Å
506	P	89.4	Confident	88	Confident	12 Å²	12	52.9 Å²	52.9	8%	0.078	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-67.1	143.9	174	29.6	-34.3	0	0	0	110.6	P223 E510 L511	P223-P506 HydrophobicContact CG-CG 3.69Å; P506-E510 HydrophobicContact CB-CB 4.41Å; P506-L511 HydrophobicContact CB-CD2 4.18Å; P506-L511 HydrophobicContact CB-CG 4.15Å; P506-L511 HydrophobicContact CG-CD1 4.01Å; P506-L511 HydrophobicContact CG-CD2 3.98Å; P506-L511 HydrophobicContact CG-CG 4.07Å
507	T	88	Confident	88.4	Confident	76 Å²	76	52.6 Å²	52.6	47%	0.466	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-65	157.1	170.6	63.3	0	0	0	0	110.9	K509 E510 L511	T507-K509 PolarHBondContact O-N 2.92Å; T507-E510 WeakPolarHBondContact CB-OE2 3.47Å; T507-E510 PolarHBondContact N-OE2 3.26Å; T507-E510 PolarHBondContact O-N 2.93Å; T507-E510 WeakPolarHBondContact OG1-CG 3.5Å; T507-E510 PolarHBondContact OG1-N 2.89Å; T507-E510 PolarHBondContact OG1-OE2 3.13Å; T507-L511 PolarHBondContact O-N 3.11Å
508	E	85	Confident	89.1	Confident	123 Å²	123	51.7 Å²	51.7	58%	0.575	26%	0.264	S	S	*	.	H	α-helix	trans	-59.1	-32.2	172.8	-176.7	168.4	-159.3	0	0	111.7	E510 L511 I512	E508-E510 PolarHBondContact O-N 2.87Å; E508-L511 PolarHBondContact O-N 2.85Å; E508-L511 VanDerWaalsContact O-N 3.14Å; E508-I512 HydrophobicContact CG-CD1 3.64Å; E508-I512 HydrophobicContact CG-CG1 4.31Å; E508-I512 WeakPolarHBondContact O-CG1 3.43Å; E508-I512 PolarHBondContact O-N 2.85Å
509	K	85.5	Confident	89.6	Confident	84 Å²	84	53.3 Å²	53.3	37%	0.365	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-45	177	-172	171.2	-176.9	160.4	0	112.6	N391 T507 L511 I512 E541	N391-K509 WeakPolarHBondContact ND2-CG 3.42Å; N391-K509 WeakPolarHBondContact OD1-CE 3.45Å; T507-K509 PolarHBondContact O-N 2.92Å; K509-L511 PolarHBondContact O-N 3.22Å; K509-I512 PolarHBondContact O-N 3.48Å; K509-I512 VanDerWaalsContact O-O 3.12Å; K509-E541 WeakPolarHBondContact CE-OE1 3.35Å; K509-E541 IonicContact NZ-OE1 3.58Å; K509-E541 PolarHBondContact NZ-OE1 2.68Å; K509-E541 IonicContact NZ-OE2 3.6Å; K509-E541 PolarHBondContact NZ-OE2 3.41Å
510	E	87.2	Confident	90.1	Very high	59 Å²	59	53.2 Å²	53.2	28%	0.276	27%	0.268	S	S	.	.	H	α-helix	trans	-67.2	-23.4	177.2	-71.3	165.7	103.7	0	0	113.3	L433 P506 T507 E508	L433-E510 HydrophobicContact CD1-CB 4.19Å; L433-E510 VanDerWaalsContact CD2-O 3.3Å; L433-E510 WeakPolarHBondContact CD2-O 3.43Å; P506-E510 HydrophobicContact CB-CB 4.41Å; T507-E510 WeakPolarHBondContact CB-OE2 3.47Å; T507-E510 PolarHBondContact N-OE2 3.26Å; T507-E510 PolarHBondContact O-N 2.93Å; T507-E510 WeakPolarHBondContact OG1-CG 3.5Å; T507-E510 PolarHBondContact OG1-N 2.89Å; T507-E510 PolarHBondContact OG1-OE2 3.13Å; E508-E510 PolarHBondContact O-N 2.87Å
511	L	91.8	Very high	90.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-90.2	-5.6	-179.9	-67.9	-171.3	0	0	0	113.8	L145 I225 A245 S246 L282 L433 P506 T507 E508 K509	L145-L511 HydrophobicContact CD2-CD1 3.5Å; I225-L511 HydrophobicContact CD1-CB 3.87Å; I225-L511 HydrophobicContact CG1-CB 3.74Å; I225-L511 HydrophobicContact CG1-CD1 3.92Å; A245-L511 WeakPolarHBondContact CB-O 3.36Å; S246-L511 PolarHBondContact N-O 3.36Å; L282-L511 VanDerWaalsContact CD2-O 3.27Å; L282-L511 WeakPolarHBondContact CD2-O 3.45Å; L433-L511 HydrophobicContact CD2-CD2 4.29Å; P506-L511 HydrophobicContact CB-CD2 4.18Å; P506-L511 HydrophobicContact CB-CG 4.15Å; P506-L511 HydrophobicContact CG-CD1 4.01Å; P506-L511 HydrophobicContact CG-CD2 3.98Å; P506-L511 HydrophobicContact CG-CG 4.07Å; T507-L511 PolarHBondContact O-N 3.11Å; E508-L511 PolarHBondContact O-N 2.85Å; E508-L511 VanDerWaalsContact O-N 3.14Å; K509-L511 PolarHBondContact O-N 3.22Å
512	I	92.2	Very high	91.4	Very high	31 Å²	31	47 Å²	47	16%	0.159	24%	0.24	C	C	.	.			trans	-120.3	119.1	179.4	-59.6	175.2	0	0	0	111	I225 A245 N391 E508 K509 Y514	I225-I512 HydrophobicContact CD1-CD1 4.12Å; I225-I512 HydrophobicContact CD1-CG1 3.51Å; A245-I512 HydrophobicContact CB-CB 4.45Å; A245-I512 HydrophobicContact CB-CG1 4.07Å; N391-I512 WeakPolarHBondContact CB-O 3.47Å; E508-I512 HydrophobicContact CG-CD1 3.64Å; E508-I512 HydrophobicContact CG-CG1 4.31Å; E508-I512 WeakPolarHBondContact O-CG1 3.43Å; E508-I512 PolarHBondContact O-N 2.85Å; K509-I512 PolarHBondContact O-N 3.48Å; K509-I512 VanDerWaalsContact O-O 3.12Å; I512-Y514 HydrophobicContact CB-CE1 4.4Å; I512-Y514 HydrophobicContact CG2-CD1 3.59Å; I512-Y514 HydrophobicContact CG2-CE1 3.63Å
513	M	95.1	Very high	92.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.			trans	-93.2	135.2	158.1	176.6	176.8	56	0	0	108.1	L282 T283 R379 I389 D392 L515	L282-M513 HydrophobicContact CB-CB 3.78Å; L282-M513 HydrophobicContact CB-CE 4.13Å; T283-M513 VanDerWaalsContact OG1-CE 3.24Å; T283-M513 WeakPolarHBondContact OG1-CE 3.41Å; R379-M513 HydrophobicContact CG-SD 4.24Å; R379-M513 PolarHBondContact NE-SD 3.23Å; R379-M513 VanDerWaalsContact NE-SD 3.41Å; I389-M513 HydrophobicContact CG2-CG 3.94Å; D392-M513 HydrophobicContact CB-CG 4.24Å; D392-M513 HydrophobicContact CB-SD 3.91Å; M513-L515 HydrophobicContact CE-CB 4.14Å; M513-L515 HydrophobicContact CE-CD2 3.99Å; M513-L515 HydrophobicContact CG-CB 4.26Å; M513-L515 PolarHBondContact O-N 3.35Å
514	Y	96.8	Very high	93.1	Very high	18 Å²	18	45.8 Å²	45.8	7%	0.071	24%	0.239	C	C	.	.	S	Bend	trans	-78	62.6	-179.4	-59.1	-29.5	0	0	0	112	C314 R315 I389 L390 N391 I512 W534 W539 E541	C314-Y514 CarbonylContact C-O 3.58Å; C314-Y514 WeakPolarHBondContact CA-O 3.37Å; C314-Y514 WeakPolarHBondContact CB-O 3.36Å; R315-Y514 HydrophobicContact CB-CD2 4.35Å; R315-Y514 PolarHBondContact N-O 3.5Å; I389-Y514 VanDerWaalsContact CG2-O 3.29Å; I389-Y514 WeakPolarHBondContact CG2-O 3.21Å; L390-Y514 HydrophobicContact CB-CD2 3.55Å; L390-Y514 HydrophobicContact CB-CE2 4.1Å; L390-Y514 HydrophobicContact CB-CG 4.45Å; L390-Y514 HydrophobicContact CD1-CD2 4.04Å; L390-Y514 HydrophobicContact CD1-CE2 4.38Å; L390-Y514 HydrophobicContact CG-CD2 4.44Å; L390-Y514 PolarHBondContact O-N 3.24Å; N391-Y514 VanDerWaalsContact ND2-CZ 3.29Å; N391-Y514 PolarHBondContact ND2-OH 3.47Å; I512-Y514 HydrophobicContact CB-CE1 4.4Å; I512-Y514 HydrophobicContact CG2-CD1 3.59Å; I512-Y514 HydrophobicContact CG2-CE1 3.63Å; Y514-W534 HydrophobicContact CD1-CB 4.27Å; Y514-W534 AromaticContact CD1-CD1 3.75Å; Y514-W534 AromaticContact CD1-CD2 3.88Å; Y514-W534 HydrophobicContact CD1-CD2 3.88Å; Y514-W534 AromaticContact CD1-CG 3.73Å; Y514-W534 HydrophobicContact CD1-CG 3.73Å; Y514-W534 AromaticContact CD1-NE1 3.91Å; Y514-W534 HydrophobicContact CE1-CB 4.37Å; Y514-W534 HydrophobicContact CE1-CG 4.18Å; Y514-W534 HydrophobicContact CG-CD2 4.03Å; Y514-W534 HydrophobicContact CG-CE3 4.24Å; Y514-W534 HydrophobicContact CG-CG 4.2Å; Y514-W534 WeakPolarHBondContact O-CH2 3.39Å; Y514-W539 HydrophobicContact CD2-CH2 4.33Å; Y514-W539 AromaticContact CE2-CH2 3.52Å; Y514-W539 HydrophobicContact CE2-CH2 3.52Å; Y514-W539 HydrophobicContact CE2-CZ2 4.33Å; Y514-W539 HydrophobicContact CE2-CZ3 4.19Å; Y514-W539 AromaticContact CZ-CH2 3.77Å; Y514-E541 PolarHBondContact OH-OE1 3.38Å; Y514-E541 VanDerWaalsContact OH-OE1 3.09Å
515	L	98.4	Very high	93.6	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	125.8	173	175.5	62.1	0	0	0	109.3	T283 S284 Y312 C314 I378 R379 I389 M513	T283-L515 HydrophobicContact CG2-CD2 4.34Å; T283-L515 HydrophobicContact CG2-CG 4.1Å; S284-L515 PolarHBondContact N-O 3.36Å; S284-L515 VanDerWaalsContact N-O 3.14Å; S284-L515 PolarHBondContact OG-O 3.28Å; Y312-L515 HydrophobicContact CD1-CD1 4.01Å; Y312-L515 HydrophobicContact CD1-CG 4.48Å; Y312-L515 HydrophobicContact CG-CD1 4.43Å; C314-L515 HydrophobicContact CB-CB 4.38Å; C314-L515 HydrophobicContact CB-CD1 3.85Å; I378-L515 HydrophobicContact CD1-CD1 4.29Å; I378-L515 HydrophobicContact CG2-CD1 4.02Å; R379-L515 HydrophobicContact CG-CD2 3.99Å; I389-L515 HydrophobicContact CD1-CB 4Å; I389-L515 HydrophobicContact CD1-CD1 4.17Å; I389-L515 HydrophobicContact CD1-CD2 3.94Å; I389-L515 HydrophobicContact CD1-CG 4.26Å; I389-L515 HydrophobicContact CG2-CB 4.39Å; M513-L515 HydrophobicContact CE-CB 4.14Å; M513-L515 HydrophobicContact CE-CD2 3.99Å; M513-L515 HydrophobicContact CG-CB 4.26Å; M513-L515 PolarHBondContact O-N 3.35Å
516	H	98.4	Very high	94.1	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.2	-175	-172.1	87.9	0	0	0	111.4	D242 S284 G285 Y312 V313 L518 T529 P532 W534	D242-H516 IonicContact OD1-CE1 3.63Å; S284-H516 WeakPolarHBondContact CB-ND1 3.38Å; S284-H516 CarbonylContact O-C 3.39Å; S284-H516 WeakPolarHBondContact O-CA 3.42Å; S284-H516 PolarHBondContact OG-ND1 2.95Å; G285-H516 WeakPolarHBondContact CA-CE1 3.02Å; G285-H516 PolarHBondContact N-CE1 2.97Å; G285-H516 PolarHBondContact N-ND1 2.67Å; Y312-H516 CarbonylContact C-O 3.4Å; Y312-H516 WeakPolarHBondContact CA-O 3.49Å; Y312-H516 WeakPolarHBondContact CB-O 3.43Å; V313-H516 HydrophobicContact CG1-CB 3.95Å; V313-H516 PolarHBondContact N-O 3.04Å; V313-H516 PolarHBondContact O-N 3.49Å; H516-L518 PolarHBondContact O-N 3.39Å; H516-L518 VanDerWaalsContact O-N 3.15Å; H516-T529 WeakPolarHBondContact NE2-CB 3.48Å; H516-T529 PolarHBondContact NE2-OG1 2.91Å; H516-P532 HydrophobicContact CB-CG 3.76Å; H516-P532 VanDerWaalsContact CG-CG 3.46Å; H516-W534 HydrophobicContact CB-CH2 3.93Å; H516-W534 HydrophobicContact CB-CZ2 3.77Å
517	A	98.4	Very high	94.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	89.6	170.3	0	0	0	0	0	109.4	L279 S284 G285 V286 Y312 Y520	L279-A517 HydrophobicContact CD1-CB 4.01Å; L279-A517 HydrophobicContact CD2-CB 3.97Å; S284-A517 PolarHBondContact O-N 2.77Å; G285-A517 CarbonylContact C-O 3.58Å; G285-A517 WeakPolarHBondContact CA-O 3.35Å; V286-A517 WeakPolarHBondContact CG2-O 3.05Å; V286-A517 PolarHBondContact N-O 2.83Å; Y312-A517 HydrophobicContact CD1-CB 3.94Å; Y312-A517 HydrophobicContact CE1-CB 3.63Å; A517-Y520 HydrophobicContact CB-CE1 3.93Å
518	L	98.4	Very high	94.9	Very high	29 Å²	29	44.3 Å²	44.3	15%	0.152	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-42.8	-171.9	-178.5	63.4	0	0	0	113.1	E311 V313 H516 S528 T529 L531	E311-L518 PolarHBondContact O-N 3.21Å; V313-L518 HydrophobicContact CG1-CB 4.47Å; H516-L518 PolarHBondContact O-N 3.39Å; H516-L518 VanDerWaalsContact O-N 3.15Å; L518-S528 VanDerWaalsContact O-CA 3.23Å; L518-S528 WeakPolarHBondContact O-CA 3.22Å; L518-S528 WeakPolarHBondContact O-CB 3.1Å; L518-T529 PolarHBondContact O-N 3.35Å; L518-T529 PolarHBondContact O-OG1 3.07Å; L518-L531 HydrophobicContact CD1-CD1 4.23Å; L518-L531 HydrophobicContact CD2-CD1 4.21Å
519	R	98.4	Very high	95.5	Very high	65 Å²	65	39.1 Å²	39.1	25%	0.245	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	138	-174.8	175.6	175.8	63.5	169.1	-3.6	113	E311 E526 Y527	E311-R519 HydrophobicContact CB-CB 4.23Å; E311-R519 PolarHBondContact N-O 3.39Å; E311-R519 PolarHBondContact O-N 2.7Å; E311-R519 IonicContact OE2-CZ 2.84Å; E311-R519 IonicContact OE2-NE 3.62Å; E311-R519 PolarHBondContact OE2-NE 2.73Å; E311-R519 IonicContact OE2-NH2 3.79Å; E311-R519 PolarHBondContact OE2-NH2 2.87Å; R519-E526 WeakPolarHBondContact CD-OE1 3.31Å; R519-E526 HydrophobicContact CG-CG 4.21Å; R519-E526 IonicContact CZ-OE1 3.34Å; R519-E526 IonicContact NE-OE1 3.9Å; R519-E526 IonicContact NH1-OE1 3.85Å; R519-E526 PolarHBondContact NH1-OE1 2.91Å; R519-Y527 CarbonylContact C-O 3.56Å; R519-Y527 VanDerWaalsContact CA-O 3.3Å; R519-Y527 WeakPolarHBondContact CA-O 3.45Å
520	Y	97.7	Very high	96	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.8	172.4	-84.4	46.8	0	0	0	108.9	H277 V286 L288 L308 E309 K310 Y312 A517 Y527	H277-Y520 AromaticContact CD2-CE2 3.9Å; H277-Y520 AromaticContact CE1-CE2 3.25Å; H277-Y520 WeakPolarHBondContact CE1-CE2 3.47Å; H277-Y520 AromaticContact CE1-CZ 3.52Å; H277-Y520 PolarHBondContact CE1-OH 3.15Å; H277-Y520 VanDerWaalsContact CE1-OH 3.29Å; H277-Y520 AromaticContact ND1-CE2 3.77Å; H277-Y520 AromaticContact ND1-CZ 3.96Å; H277-Y520 PolarHBondContact ND1-OH 3.34Å; H277-Y520 AromaticContact NE2-CD2 3.96Å; H277-Y520 AromaticContact NE2-CE2 3.34Å; H277-Y520 VanDerWaalsContact NE2-CE2 3.34Å; H277-Y520 WeakPolarHBondContact NE2-CE2 3.38Å; V286-Y520 HydrophobicContact CB-CD1 4.09Å; V286-Y520 HydrophobicContact CG1-CD1 4.05Å; V286-Y520 HydrophobicContact CG1-CG 4.02Å; L288-Y520 HydrophobicContact CD1-CD2 3.4Å; L288-Y520 VanDerWaalsContact CD1-CD2 3.4Å; L288-Y520 HydrophobicContact CD1-CE2 4.06Å; L288-Y520 HydrophobicContact CD1-CG 3.89Å; L308-Y520 HydrophobicContact CD1-CD2 4.19Å; L308-Y520 HydrophobicContact CD2-CD2 3.93Å; L308-Y520 HydrophobicContact CD2-CE2 4.17Å; L308-Y520 HydrophobicContact CG-CD2 4.34Å; E309-Y520 WeakPolarHBondContact O-CA 3.29Å; K310-Y520 HydrophobicContact CB-CD1 4.38Å; K310-Y520 HydrophobicContact CB-CE1 4.12Å; K310-Y520 HydrophobicContact CD-CE2 4.28Å; K310-Y520 HydrophobicContact CG-CD1 4.41Å; K310-Y520 HydrophobicContact CG-CD2 4.17Å; K310-Y520 HydrophobicContact CG-CE1 4.14Å; K310-Y520 HydrophobicContact CG-CE2 3.92Å; K310-Y520 HydrophobicContact CG-CG 4.41Å; Y312-Y520 PolarHBondContact OH-OH 3.08Å; A517-Y520 HydrophobicContact CB-CE1 3.93Å; Y520-Y527 PolarHBondContact N-O 3.14Å; Y520-Y527 PolarHBondContact O-N 3.21Å
521	K	97.6	Very high	96.3	Very high	73 Å²	73	43.6 Å²	43.6	32%	0.317	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128	-175.1	179.7	177.6	-174.2	142.5	0	111	L308 E309 E526	L308-K521 CarbonylContact C-O 3.59Å; L308-K521 WeakPolarHBondContact CA-O 3.45Å; E309-K521 HydrophobicContact CB-CB 4.21Å; E309-K521 PolarHBondContact N-O 3.14Å; E309-K521 PolarHBondContact O-N 3.15Å; K521-E526 HydrophobicContact CB-CG 4.21Å; K521-E526 HydrophobicContact CD-CG 4.36Å; K521-E526 WeakPolarHBondContact CD-OE2 3.26Å; K521-E526 VanDerWaalsContact CE-OE2 3.27Å; K521-E526 WeakPolarHBondContact CE-OE2 3.37Å; K521-E526 HydrophobicContact CG-CB 4.31Å; K521-E526 HydrophobicContact CG-CG 4.23Å; K521-E526 IonicContact NZ-OE2 3.13Å; K521-E526 PolarHBondContact NZ-OE2 3.48Å
522	G	95.5	Very high	96.5	Very high	9 Å²	9	44.5 Å²	44.5	9%	0.093	23%	0.229	C	C	.	.			trans	-113	-172.9	170.1	0	0	0	0	0	111.4	D524 F525	G522-D524 VanDerWaalsContact C-N 3.34Å; G522-D524 PolarHBondContact O-N 2.82Å; G522-F525 PolarHBondContact N-O 2.7Å
523	P	95.3	Very high	96.5	Very high	79 Å²	79	48.6 Å²	48.6	51%	0.513	25%	0.251	S	S	.	.	S	Bend	trans	-62.2	-39	177.2	-23.8	34.9	0	0	0	113.4	L302 Q307	L302-P523 HydrophobicContact CD2-CG 4.07Å; Q307-P523 HydrophobicContact CB-CG 4.28Å
524	D	93.5	Very high	96.5	Very high	121 Å²	121	49.8 Å²	49.8	65%	0.647	26%	0.255	S	S	*	.	S	Bend	trans	-106.9	-4.7	-171.7	-48.4	-36.5	0	0	0	113.5	K298 G522	K298-D524 IonicContact NZ-OD2 2.82Å; K298-D524 PolarHBondContact NZ-OD2 3.3Å; G522-D524 VanDerWaalsContact C-N 3.34Å; G522-D524 PolarHBondContact O-N 2.82Å
525	F	95.3	Very high	96.5	Very high	27 Å²	27	49.2 Å²	49.2	12%	0.118	25%	0.254	C	S	.	.			trans	-149.7	152.5	-170.2	67.1	-96.8	0	0	0	113.4	L288 L299 L302 L308 G522 Y527	L288-F525 HydrophobicContact CD2-CE2 4.04Å; L288-F525 HydrophobicContact CD2-CZ 4.36Å; L299-F525 HydrophobicContact CD2-CE1 3.74Å; L299-F525 HydrophobicContact CD2-CZ 3.88Å; L302-F525 HydrophobicContact CD1-CE1 3.78Å; L302-F525 HydrophobicContact CD1-CZ 4.36Å; L308-F525 HydrophobicContact CD1-CE2 3.94Å; L308-F525 HydrophobicContact CD1-CZ 3.84Å; G522-F525 PolarHBondContact N-O 2.7Å; F525-Y527 HydrophobicContact CB-CE2 4.03Å; F525-Y527 AromaticContact CD2-CD2 3.5Å; F525-Y527 HydrophobicContact CD2-CD2 3.5Å; F525-Y527 AromaticContact CD2-CE2 3.27Å; F525-Y527 HydrophobicContact CD2-CE2 3.27Å; F525-Y527 HydrophobicContact CD2-CG 4.45Å; F525-Y527 AromaticContact CE2-CD2 3.96Å; F525-Y527 HydrophobicContact CE2-CD2 3.96Å; F525-Y527 AromaticContact CE2-CE2 3.86Å; F525-Y527 HydrophobicContact CE2-CE2 3.86Å; F525-Y527 HydrophobicContact CG-CD2 4.41Å; F525-Y527 AromaticContact CG-CE2 3.78Å; F525-Y527 HydrophobicContact CG-CE2 3.78Å
526	E	97.4	Very high	96.2	Very high	90 Å²	90	53.5 Å²	53.5	42%	0.421	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	123.9	172.1	-171.9	166.8	156.2	0	0	108.6	R519 K521	R519-E526 WeakPolarHBondContact CD-OE1 3.31Å; R519-E526 HydrophobicContact CG-CG 4.21Å; R519-E526 IonicContact CZ-OE1 3.34Å; R519-E526 IonicContact NE-OE1 3.9Å; R519-E526 IonicContact NH1-OE1 3.85Å; R519-E526 PolarHBondContact NH1-OE1 2.91Å; K521-E526 HydrophobicContact CB-CG 4.21Å; K521-E526 HydrophobicContact CD-CG 4.36Å; K521-E526 WeakPolarHBondContact CD-OE2 3.26Å; K521-E526 VanDerWaalsContact CE-OE2 3.27Å; K521-E526 WeakPolarHBondContact CE-OE2 3.37Å; K521-E526 HydrophobicContact CG-CB 4.31Å; K521-E526 HydrophobicContact CG-CG 4.23Å; K521-E526 IonicContact NZ-OE2 3.13Å; K521-E526 PolarHBondContact NZ-OE2 3.48Å
527	Y	97.8	Very high	95.8	Very high	36 Å²	36	55.9 Å²	55.9	14%	0.141	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.6	179.5	-55.1	-57.2	0	0	0	109.9	V233 V238 V240 L288 R519 Y520 F525	V233-Y527 HydrophobicContact CB-CE1 4.48Å; V233-Y527 HydrophobicContact CG2-CD1 3.99Å; V233-Y527 HydrophobicContact CG2-CE1 3.88Å; V238-Y527 HydrophobicContact CG1-CE2 4.49Å; V240-Y527 HydrophobicContact CG1-CD2 4.42Å; V240-Y527 HydrophobicContact CG1-CG 4.21Å; V240-Y527 HydrophobicContact CG2-CD1 4.09Å; V240-Y527 HydrophobicContact CG2-CD2 3.72Å; V240-Y527 HydrophobicContact CG2-CE1 4.09Å; V240-Y527 HydrophobicContact CG2-CE2 3.71Å; V240-Y527 HydrophobicContact CG2-CG 3.91Å; L288-Y527 HydrophobicContact CD2-CD2 3.87Å; L288-Y527 HydrophobicContact CD2-CE2 3.87Å; L288-Y527 HydrophobicContact CG-CD2 4.31Å; R519-Y527 CarbonylContact C-O 3.56Å; R519-Y527 VanDerWaalsContact CA-O 3.3Å; R519-Y527 WeakPolarHBondContact CA-O 3.45Å; Y520-Y527 PolarHBondContact N-O 3.14Å; Y520-Y527 PolarHBondContact O-N 3.21Å; F525-Y527 HydrophobicContact CB-CE2 4.03Å; F525-Y527 AromaticContact CD2-CD2 3.5Å; F525-Y527 HydrophobicContact CD2-CD2 3.5Å; F525-Y527 AromaticContact CD2-CE2 3.27Å; F525-Y527 HydrophobicContact CD2-CE2 3.27Å; F525-Y527 HydrophobicContact CD2-CG 4.45Å; F525-Y527 AromaticContact CE2-CD2 3.96Å; F525-Y527 HydrophobicContact CE2-CD2 3.96Å; F525-Y527 AromaticContact CE2-CE2 3.86Å; F525-Y527 HydrophobicContact CE2-CE2 3.86Å; F525-Y527 HydrophobicContact CG-CD2 4.41Å; F525-Y527 AromaticContact CG-CE2 3.78Å; F525-Y527 HydrophobicContact CG-CE2 3.78Å
528	S	97.9	Very high	95.4	Very high	70 Å²	70	62.2 Å²	62.2	49%	0.49	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	154.6	179.7	59.6	0	0	0	0	112.5	L518	L518-S528 VanDerWaalsContact O-CA 3.23Å; L518-S528 WeakPolarHBondContact O-CA 3.22Å; L518-S528 WeakPolarHBondContact O-CB 3.1Å
529	T	97.2	Very high	95	Very high	14 Å²	14	63 Å²	63	9%	0.086	33%	0.33	C	S	.	.			trans	-94.5	177	168.2	43.3	0	0	0	0	110.8	L232 D242 V286 H516 L518	L232-T529 HydrophobicContact CD1-CG2 3.92Å; D242-T529 HydrophobicContact CB-CG2 3.8Å; D242-T529 WeakPolarHBondContact OD1-CG2 3.43Å; D242-T529 WeakPolarHBondContact OD2-CG2 3.35Å; V286-T529 HydrophobicContact CG2-CG2 3.75Å; H516-T529 WeakPolarHBondContact NE2-CB 3.48Å; H516-T529 PolarHBondContact NE2-OG1 2.91Å; L518-T529 PolarHBondContact O-N 3.35Å; L518-T529 PolarHBondContact O-OG1 3.07Å
530	Q	95	Very high	94.2	Very high	159 Å²	159	67 Å²	67	74%	0.743	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-76	155.5	162.5	-66	-63.3	-8.5	0	0	109.7
531	L	95.2	Very high	93.1	Very high	79 Å²	79	69.3 Å²	69.3	41%	0.414	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-65	130.6	172.5	-167.5	71.8	0	0	0	109.2	V313 L518 A535	V313-L531 HydrophobicContact CB-CD1 4.39Å; V313-L531 HydrophobicContact CG1-CD1 3.96Å; V313-L531 HydrophobicContact CG2-CD1 4.29Å; L518-L531 HydrophobicContact CD1-CD1 4.23Å; L518-L531 HydrophobicContact CD2-CD1 4.21Å; L531-A535 HydrophobicContact CD1-CB 3.95Å; L531-A535 HydrophobicContact CD2-CB 4.19Å; L531-A535 HydrophobicContact CG-CB 3.88Å
532	P	94.7	Very high	91.6	Very high	18 Å²	18	70.3 Å²	70.3	12%	0.117	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-64.5	144.7	176	-21.5	33	0	0	0	111.8	H516 W534 A535	H516-P532 HydrophobicContact CB-CG 3.76Å; H516-P532 VanDerWaalsContact CG-CG 3.46Å; P532-W534 HydrophobicContact CB-CD2 4.02Å; P532-W534 HydrophobicContact CB-CG 4.22Å; P532-W534 HydrophobicContact CB-CZ2 4.02Å; P532-W534 HydrophobicContact CG-CH2 4.44Å; P532-W534 HydrophobicContact CG-CZ2 3.9Å; P532-W534 PolarHBondContact O-N 3.21Å; P532-W534 VanDerWaalsContact O-N 3.13Å; P532-A535 WeakPolarHBondContact O-CA 3.38Å; P532-A535 WeakPolarHBondContact O-CB 3.38Å; P532-A535 PolarHBondContact O-N 3.22Å
533	N	93.7	Very high	89.2	Confident	117 Å²	117	76.8 Å²	76.8	63%	0.626	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-53.8	-37.7	-179.7	-52.3	17.1	0	0	0	112.4	A535 E536	N533-A535 PolarHBondContact O-N 3.47Å; N533-E536 WeakPolarHBondContact O-CB 3.27Å; N533-E536 WeakPolarHBondContact O-CG 3.23Å; N533-E536 PolarHBondContact O-N 3.36Å
534	W	94.3	Very high	86.6	Confident	25 Å²	25	80.6 Å²	80.6	10%	0.095	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-65.5	-9.8	176.8	58.8	-109.6	0	0	0	114.4	V313 R315 Y514 H516 P532 W539	V313-W534 HydrophobicContact CG1-CH2 4.2Å; R315-W534 HydrophobicContact CB-CE3 4.11Å; R315-W534 HydrophobicContact CB-CZ3 4.28Å; R315-W534 PolarHBondContact NE-O 3.36Å; R315-W534 PolarHBondContact NH2-O 3.22Å; Y514-W534 HydrophobicContact CD1-CB 4.27Å; Y514-W534 AromaticContact CD1-CD1 3.75Å; Y514-W534 AromaticContact CD1-CD2 3.88Å; Y514-W534 HydrophobicContact CD1-CD2 3.88Å; Y514-W534 AromaticContact CD1-CG 3.73Å; Y514-W534 HydrophobicContact CD1-CG 3.73Å; Y514-W534 AromaticContact CD1-NE1 3.91Å; Y514-W534 HydrophobicContact CE1-CB 4.37Å; Y514-W534 HydrophobicContact CE1-CG 4.18Å; Y514-W534 HydrophobicContact CG-CD2 4.03Å; Y514-W534 HydrophobicContact CG-CE3 4.24Å; Y514-W534 HydrophobicContact CG-CG 4.2Å; Y514-W534 WeakPolarHBondContact O-CH2 3.39Å; H516-W534 HydrophobicContact CB-CH2 3.93Å; H516-W534 HydrophobicContact CB-CZ2 3.77Å; P532-W534 HydrophobicContact CB-CD2 4.02Å; P532-W534 HydrophobicContact CB-CG 4.22Å; P532-W534 HydrophobicContact CB-CZ2 4.02Å; P532-W534 HydrophobicContact CG-CH2 4.44Å; P532-W534 HydrophobicContact CG-CZ2 3.9Å; P532-W534 PolarHBondContact O-N 3.21Å; P532-W534 VanDerWaalsContact O-N 3.13Å; W534-W539 HydrophobicContact CB-CD2 4.08Å; W534-W539 HydrophobicContact CB-CG 4.5Å; W534-W539 HydrophobicContact CB-CH2 4.41Å; W534-W539 HydrophobicContact CB-CZ2 3.93Å
535	A	95.5	Very high	83.6	Confident	6 Å²	6	83.4 Å²	83.4	5%	0.05	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-98.2	5	174.8	0	0	0	0	0	113.4	V313 V365 L531 P532 N533	V313-A535 HydrophobicContact CG1-CB 4.41Å; V313-A535 HydrophobicContact CG2-CB 3.98Å; V365-A535 HydrophobicContact CG1-CB 4Å; L531-A535 HydrophobicContact CD1-CB 3.95Å; L531-A535 HydrophobicContact CD2-CB 4.19Å; L531-A535 HydrophobicContact CG-CB 3.88Å; P532-A535 WeakPolarHBondContact O-CA 3.38Å; P532-A535 WeakPolarHBondContact O-CB 3.38Å; P532-A535 PolarHBondContact O-N 3.22Å; N533-A535 PolarHBondContact O-N 3.47Å
536	E	93.6	Very high	83	Confident	96 Å²	96	86.3 Å²	86.3	45%	0.449	47%	0.469	S	S	.	.	S	Bend	trans	-66.3	147.9	170.5	-66.5	172.6	163.9	0	0	111	R315 N533 D538 W539	R315-E536 PolarHBondContact NH2-O 2.57Å; N533-E536 WeakPolarHBondContact O-CB 3.27Å; N533-E536 WeakPolarHBondContact O-CG 3.23Å; N533-E536 PolarHBondContact O-N 3.36Å; E536-D538 VanDerWaalsContact C-N 3.33Å; E536-D538 PolarHBondContact O-N 2.73Å; E536-W539 HydrophobicContact CB-CB 4.24Å; E536-W539 WeakPolarHBondContact O-CB 3.11Å; E536-W539 PolarHBondContact O-N 3.39Å
537	A	90.3	Very high	82.3	Confident	57 Å²	57	86.1 Å²	86.1	47%	0.471	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-34.5	-169.3	0	0	0	0	0	113.2
538	D	88.5	Confident	81.4	Confident	133 Å²	133	88.8 Å²	88.8	71%	0.711	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	3.2	179	56.9	-34.2	0	0	0	113.4	E536 E540	E536-D538 VanDerWaalsContact C-N 3.33Å; E536-D538 PolarHBondContact O-N 2.73Å; D538-E540 PolarHBondContact O-N 3.1Å
539	W	91.6	Very high	80.4	Confident	46 Å²	46	89.9 Å²	89.9	17%	0.174	49%	0.489	C	S	.	.			trans	-60.1	123.7	174.4	-179.3	88	0	0	0	110.7	N360 Y514 W534 E536 E541	N360-W539 PolarHBondContact ND2-O 2.89Å; Y514-W539 HydrophobicContact CD2-CH2 4.33Å; Y514-W539 AromaticContact CE2-CH2 3.52Å; Y514-W539 HydrophobicContact CE2-CH2 3.52Å; Y514-W539 HydrophobicContact CE2-CZ2 4.33Å; Y514-W539 HydrophobicContact CE2-CZ3 4.19Å; Y514-W539 AromaticContact CZ-CH2 3.77Å; W534-W539 HydrophobicContact CB-CD2 4.08Å; W534-W539 HydrophobicContact CB-CG 4.5Å; W534-W539 HydrophobicContact CB-CH2 4.41Å; W534-W539 HydrophobicContact CB-CZ2 3.93Å; E536-W539 HydrophobicContact CB-CB 4.24Å; E536-W539 WeakPolarHBondContact O-CB 3.11Å; E536-W539 PolarHBondContact O-N 3.39Å; W539-E541 HydrophobicContact CH2-CB 3.42Å; W539-E541 VanDerWaalsContact CH2-CB 3.42Å; W539-E541 HydrophobicContact CH2-CG 3.65Å; W539-E541 HydrophobicContact CZ2-CB 4.13Å; W539-E541 HydrophobicContact CZ2-CG 4.23Å; W539-E541 HydrophobicContact CZ3-CB 3.71Å; W539-E541 HydrophobicContact CZ3-CG 4.4Å
540	E	81.3	Confident	79.4	Confident	150 Å²	150	94.7 Å²	94.7	70%	0.701	52%	0.515	S	S	*	.			trans	-103.8	142.7	166.9	-63.3	-168.4	155.4	0	0	109.1	D538 T542	D538-E540 PolarHBondContact O-N 3.1Å; E540-T542 PolarHBondContact O-N 3.19Å
541	E	73.9	Confident	78.3	Confident	50 Å²	50	90.4 Å²	90.4	23%	0.234	50%	0.499	C	S	.	.			trans	-72.3	100	172	-169.4	169.3	-130.2	0	0	108.2	K509 Y514 W539 D543	K509-E541 WeakPolarHBondContact CE-OE1 3.35Å; K509-E541 IonicContact NZ-OE1 3.58Å; K509-E541 PolarHBondContact NZ-OE1 2.68Å; K509-E541 IonicContact NZ-OE2 3.6Å; K509-E541 PolarHBondContact NZ-OE2 3.41Å; Y514-E541 PolarHBondContact OH-OE1 3.38Å; Y514-E541 VanDerWaalsContact OH-OE1 3.09Å; W539-E541 HydrophobicContact CH2-CB 3.42Å; W539-E541 VanDerWaalsContact CH2-CB 3.42Å; W539-E541 HydrophobicContact CH2-CG 3.65Å; W539-E541 HydrophobicContact CZ2-CB 4.13Å; W539-E541 HydrophobicContact CZ2-CG 4.23Å; W539-E541 HydrophobicContact CZ3-CB 3.71Å; W539-E541 HydrophobicContact CZ3-CG 4.4Å; E541-D543 PolarHBondContact O-N 3.28Å
542	T	66.3	Low	77.1	Confident	95 Å²	95	91.2 Å²	91.2	58%	0.583	51%	0.506	S	S	*	.			trans	-64.3	120.9	170.7	51.4	0	0	0	0	108.9	E540 L544	E540-T542 PolarHBondContact O-N 3.19Å; T542-L544 PolarHBondContact O-N 2.56Å
543	D	46.2	Very low	75.8	Confident	144 Å²	144	96.8 Å²	96.8	77%	0.77	54%	0.535	S	S	*	.			trans	-66.8	80.6	166.1	-70.7	-40.5	0	0	0	109.2	E541 S545	E541-D543 PolarHBondContact O-N 3.28Å; D543-S545 VanDerWaalsContact C-N 3.26Å; D543-S545 PolarHBondContact O-N 3.45Å
544	L	39.6	Very low	74.3	Confident	159 Å²	159	95.2 Å²	95.2	83%	0.832	53%	0.528	S	S	*	.			trans	-73.5	88.8	163.7	-70.8	172.9	0	0	0	107.2	T542	T542-L544 PolarHBondContact O-N 2.56Å
545	S	30.6	Very low	72.5	Confident	181 Å²	181	101.5 Å²	101.5	100%	1.266	57%	0.567	S	S	*	*			trans	-65	0	178.3	61.4	0	0	0	0	113.7	D543	D543-S545 VanDerWaalsContact C-N 3.26Å; D543-S545 PolarHBondContact O-N 3.45Å

Retrieved 545 of 545 residues in 222.3 ms (Link to these results)

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