A0A3Q0KDV2_SCHMA Loading...

Putative 3-5 exonuclease eri1

AlphaFold DB , UniProt , Accession A0A3Q0KDV2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 576 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	40.7	Very low	32.9	Very low	246 Å²	246	138.5 Å²	138.5	100%	1.212	82%	0.818	S	S	*	*				0	95.2	0	-75.6	174.5	168.9	0	0	107.9
2	N	38.4	Very low	32.6	Very low	157 Å²	157	141.3 Å²	141.3	84%	0.84	82%	0.824	S	S	*	*			trans	-81.7	166.3	156.9	-102.2	-3.6	0	0	0	107.3
3	P	36.3	Very low	32.4	Very low	110 Å²	110	139.2 Å²	139.2	71%	0.714	82%	0.818	S	S	*	*			cis	-155.5	172.3	45.1	39.1	-15.4	0	0	0	119.6
4	S	31.6	Very low	32	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	81%	0.812	S	S	*	*			trans	61.5	126.2	136.1	60.8	0	0	0	0	121.3
5	A	35.8	Very low	31.8	Very low	99 Å²	99	139.3 Å²	139.3	82%	0.818	81%	0.812	S	S	*	*				-176.8	128.8	95.1	0	0	0	0	0	112.2
6	S	29	Very low	31.4	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	81%	0.811	S	S	*	*			trans	-73.5	151.6	167.4	48	0	0	0	0	112.6
7	V	32.4	Very low	31.4	Very low	133 Å²	133	138.3 Å²	138.3	81%	0.806	81%	0.805	S	S	*	*			trans	-135.1	126.1	156.2	-179.3	0	0	0	0	109.3
8	P	28.8	Very low	31.1	Very low	106 Å²	106	139.3 Å²	139.3	69%	0.688	81%	0.807	S	S	*	*			trans	-91.1	153.8	172.8	36	-30	0	0	0	110.7
9	L	32.4	Very low	31	Very low	172 Å²	172	137.7 Å²	137.7	90%	0.901	80%	0.799	S	S	*	*			trans	-134.8	120.5	161.6	-119.6	120.4	0	0	0	111.3
10	N	28.7	Very low	30.6	Very low	133 Å²	133	138.5 Å²	138.5	71%	0.711	80%	0.8	S	S	*	*			trans	-79.7	155.6	-176.7	-87.6	-29.8	0	0	0	113.1
11	L	28.2	Very low	30.5	Very low	150 Å²	150	139.5 Å²	139.5	79%	0.785	80%	0.797	S	S	*	*			trans	60.5	110.4	137.9	-70.8	157.4	0	0	0	119
12	L	29.3	Very low	29.8	Very low	172 Å²	172	133.2 Å²	133.2	90%	0.901	77%	0.773	S	S	*	*			trans	-143.4	132	132.7	-100.9	163.1	0	0	0	109.3
13	P	30.2	Very low	29.1	Very low	114 Å²	114	133.6 Å²	133.6	74%	0.74	77%	0.773	S	S	*	*			trans	-95.6	159.5	-173.7	37.1	-31.1	0	0	0	112
14	G	26.6	Very low	28.7	Very low	71 Å²	71	135.5 Å²	135.5	73%	0.732	78%	0.777	S	S	*	*			trans	101.9	99.8	153.2	0	0	0	0	0	116.2
15	Y	28.5	Very low	28.4	Very low	209 Å²	209	138.3 Å²	138.3	82%	0.82	78%	0.778	S	S	*	*				-168.5	108.1	106.1	-124.4	-98.1	0	0	0	108
16	T	26.3	Very low	27.9	Very low	129 Å²	129	138.2 Å²	138.2	79%	0.791	78%	0.777	S	S	*	*			trans	-81.8	114.8	164.7	47.2	0	0	0	0	107.1
17	D	30.4	Very low	27.8	Very low	133 Å²	133	140.6 Å²	140.6	71%	0.711	77%	0.774	S	S	*	*			trans	-123.8	97.8	155.6	-87.8	-33.4	0	0	0	108.2	V19	D17-V19 PolarHBondContact O-N 3.39Å
18	N	26	Very low	27.6	Very low	157 Å²	157	140.7 Å²	140.7	84%	0.84	77%	0.77	S	S	*	*			trans	-60.1	112.3	158.1	-86.1	-25.9	0	0	0	108
19	V	28.6	Very low	27.6	Very low	109 Å²	109	142.7 Å²	142.7	66%	0.661	77%	0.774	S	S	*	*			trans	-128.9	91.4	157.4	-174.1	0	0	0	0	108.1	D17 H21	D17-V19 PolarHBondContact O-N 3.39Å; V19-H21 VanDerWaalsContact CG1-CD2 3.47Å; V19-H21 WeakPolarHBondContact CG1-CD2 3.47Å; V19-H21 PolarHBondContact O-N 3.49Å
20	N	24.8	Very low	27.5	Very low	152 Å²	152	141.2 Å²	141.2	81%	0.813	77%	0.767	S	S	*	*			trans	-54.7	113.8	153.5	-79.6	-35.7	0	0	0	108
21	H	27.8	Very low	27.5	Very low	161 Å²	161	143 Å²	143	75%	0.745	77%	0.766	S	S	*	*			trans	-140.2	99.7	156.5	-96.8	-56.7	0	0	0	111.2	V19 I23	V19-H21 VanDerWaalsContact CG1-CD2 3.47Å; V19-H21 WeakPolarHBondContact CG1-CD2 3.47Å; V19-H21 PolarHBondContact O-N 3.49Å; H21-I23 PolarHBondContact O-N 3.44Å
22	T	25.8	Very low	27.6	Very low	113 Å²	113	145.9 Å²	145.9	69%	0.693	77%	0.768	S	S	*	*			trans	-18.8	116.7	154	-42.3	0	0	0	0	114	L24	T22-L24 HydrophobicContact CG2-CD1 4.45Å; T22-L24 HydrophobicContact CG2-CG 4.08Å; T22-L24 PolarHBondContact O-N 2.95Å
23	I	24.2	Very low	27.5	Very low	166 Å²	166	145.2 Å²	145.2	85%	0.851	76%	0.76	S	S	*	*			trans	-70.7	102.8	162.2	-65	173.7	0	0	0	106.6	H21	H21-I23 PolarHBondContact O-N 3.44Å
24	L	26.7	Very low	27.6	Very low	150 Å²	150	145.3 Å²	145.3	79%	0.785	76%	0.758	S	S	*	*			trans	-103.9	123.3	163.6	-87.4	167.9	0	0	0	108.9	T22	T22-L24 HydrophobicContact CG2-CD1 4.45Å; T22-L24 HydrophobicContact CG2-CG 4.08Å; T22-L24 PolarHBondContact O-N 2.95Å
25	E	25.5	Very low	27.8	Very low	164 Å²	164	149.1 Å²	149.1	77%	0.766	76%	0.762	S	S	*	*			trans	-48.1	137.4	168.6	-57.4	175.2	144.7	0	0	112
26	A	26.1	Very low	28	Very low	96 Å²	96	142 Å²	142	79%	0.793	75%	0.752	S	S	*	*			trans	-152	88.4	156.6	0	0	0	0	0	110.2
27	F	26.5	Very low	28.2	Very low	162 Å²	162	142.7 Å²	142.7	71%	0.711	75%	0.75	S	S	*	*			trans	24.2	132.9	135.5	-66.8	-84.8	0	0	0	120.7
28	D	28.4	Very low	28.3	Very low	136 Å²	136	142.9 Å²	142.9	73%	0.727	75%	0.75	S	S	*	*			trans	19.8	110.6	135.5	-72.7	-32.3	0	0	0	116.2
29	N	29.4	Very low	28.5	Very low	147 Å²	147	145.7 Å²	145.7	79%	0.786	75%	0.749	S	S	*	*			trans	-148.5	123.7	140.8	-92	-49.3	0	0	0	110.3
30	D	29.6	Very low	28.8	Very low	141 Å²	141	145.7 Å²	145.7	75%	0.754	75%	0.751	S	S	*	*			trans	-54.9	132.4	-179.8	-67.1	-57.5	0	0	0	112.8
31	Y	28.7	Very low	29.1	Very low	172 Å²	172	148.1 Å²	148.1	68%	0.675	76%	0.755	S	S	*	*			trans	-128.3	111.9	158.6	-78.6	-86.5	0	0	0	108.8	L38	Y31-L38 HydrophobicContact CD1-CD2 3.99Å; Y31-L38 HydrophobicContact CE1-CD2 4.45Å
32	Y	29.4	Very low	29.2	Very low	210 Å²	210	149.4 Å²	149.4	82%	0.824	76%	0.758	S	S	*	*			trans	-95.3	132.6	164.5	-84.5	-87.5	0	0	0	109.3
33	E	28.3	Very low	29.6	Very low	158 Å²	158	151.8 Å²	151.8	74%	0.738	77%	0.767	S	S	*	*			trans	-94.7	113.3	174.9	-163	173.8	-158.1	0	0	109
34	V	31.7	Very low	29.8	Very low	115 Å²	115	147.1 Å²	147.1	70%	0.697	76%	0.759	S	S	*	*			trans	-122.6	118.2	164.1	-178.9	0	0	0	0	106.5
35	N	32	Very low	30	Very low	152 Å²	152	147.1 Å²	147.1	81%	0.813	77%	0.766	S	S	*	*	S	Bend	trans	63.2	43.8	171.2	-57.3	-22.7	0	0	0	117.5	L37	N35-L37 PolarHBondContact O-N 2.91Å; N35-L37 VanDerWaalsContact O-N 3.13Å
36	G	32.2	Very low	30	Very low	59 Å²	59	147.7 Å²	147.7	61%	0.608	77%	0.769	S	S	*	*	S	Bend	trans	67.3	21.1	151.9	0	0	0	0	0	118
37	L	31.2	Very low	30.2	Very low	143 Å²	143	150.4 Å²	150.4	75%	0.749	77%	0.77	S	S	*	*			trans	-136.9	106.4	174.3	-74.9	169.5	0	0	0	111.4	N35 R39	N35-L37 PolarHBondContact O-N 2.91Å; N35-L37 VanDerWaalsContact O-N 3.13Å; L37-R39 PolarHBondContact O-N 2.92Å
38	L	31.2	Very low	30.2	Very low	138 Å²	138	150 Å²	150	72%	0.723	78%	0.775	S	S	*	*			trans	-77.8	113.9	168.6	-80.5	158.4	0	0	0	109.8	Y31	Y31-L38 HydrophobicContact CD1-CD2 3.99Å; Y31-L38 HydrophobicContact CE1-CD2 4.45Å
39	R	29.7	Very low	30.1	Very low	215 Å²	215	150.1 Å²	150.1	81%	0.811	78%	0.78	S	S	*	*			trans	-116.9	135.6	165.8	-72	-171.4	-176.8	-169.9	2.8	109.8	L37	L37-R39 PolarHBondContact O-N 2.92Å
40	P	35.7	Very low	29.9	Very low	109 Å²	109	151.9 Å²	151.9	71%	0.708	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-76.8	139.5	175.9	30.5	-31.6	0	0	0	110.9	K42	P40-K42 PolarHBondContact O-N 2.9Å
41	F	30.4	Very low	29.7	Very low	203 Å²	203	154.2 Å²	154.2	89%	0.89	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-70.8	123.4	172.4	-126.6	-93.9	0	0	0	109.7
42	K	30	Very low	29.7	Very low	188 Å²	188	155.1 Å²	155.1	82%	0.817	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-93.3	130.9	169.4	-81.2	-176.2	174.5	-178.4	0	109.3	P40	P40-K42 PolarHBondContact O-N 2.9Å
43	N	35.5	Very low	29.7	Very low	163 Å²	163	147.9 Å²	147.9	87%	0.872	79%	0.79	S	S	*	*			trans	-174.2	124.2	147.8	-86.2	-18.3	0	0	0	104.9
44	G	27.2	Very low	29.7	Very low	68 Å²	68	148.4 Å²	148.4	70%	0.701	80%	0.798	S	S	*	*			cis	120.8	76.1	15.6	0	0	0	0	0	109.6
45	T	31.5	Very low	29.4	Very low	151 Å²	151	150.9 Å²	150.9	93%	0.926	80%	0.801	S	S	*	*			trans	-176.5	133	142.6	22.4	0	0	0	0	111.9
46	Q	26	Very low	29.1	Very low	175 Å²	175	151.7 Å²	151.7	82%	0.818	81%	0.805	S	S	*	*			trans	-71.5	149.3	176.7	-67.2	167.6	-45.6	0	0	111.4
47	N	30.5	Very low	28.7	Very low	154 Å²	154	158.4 Å²	158.4	82%	0.824	81%	0.813	S	S	*	*				-173.9	139.6	113.2	-87.1	-25.7	0	0	0	112.6
48	N	24.9	Very low	28.6	Very low	152 Å²	152	159.5 Å²	159.5	81%	0.813	82%	0.818	S	S	*	*			trans	-61.3	159	-178.7	-64.7	-42.2	0	0	0	113.8
49	V	26.4	Very low	28.3	Very low	139 Å²	139	161.7 Å²	161.7	84%	0.842	83%	0.825	S	S	*	*				175.2	149.6	118.4	160	0	0	0	0	110.9
50	Q	25.8	Very low	28.3	Very low	185 Å²	185	161.2 Å²	161.2	86%	0.864	83%	0.828	S	S	*	*			trans	-73.5	161.4	-160.6	-76	150.9	-56.6	0	0	118.9
51	Q	25.3	Very low	28.1	Very low	189 Å²	189	161.4 Å²	161.4	88%	0.883	83%	0.83	S	S	*	*			trans	-51.6	144.6	163.9	-112.5	174.9	-9.7	0	0	115.4
52	H	29.2	Very low	28.2	Very low	192 Å²	192	160 Å²	160	89%	0.889	83%	0.828	S	S	*	*				-162	143.6	129.4	-124.3	-77.2	0	0	0	111.2
53	G	28.4	Very low	28.4	Very low	58 Å²	58	158.6 Å²	158.6	60%	0.598	83%	0.829	S	S	*	*			trans	-80.3	178.3	-169.7	0	0	0	0	0	116.6
54	D	29.3	Very low	28.4	Very low	169 Å²	169	157.8 Å²	157.8	90%	0.904	83%	0.825	S	S	*	*				172.2	151	122.2	-82.1	-13.5	0	0	0	111.7
55	E	24.6	Very low	28.7	Very low	166 Å²	166	157.9 Å²	157.9	78%	0.776	83%	0.826	S	S	*	*			trans	-65.4	162.3	-172.1	-61.9	175.4	141.8	0	0	115.7
56	L	26.9	Very low	28.9	Very low	170 Å²	170	158.5 Å²	158.5	89%	0.89	82%	0.823	S	S	*	*			trans	-145	110.8	159.7	-105.9	157.3	0	0	0	111.5
57	Y	24.1	Very low	29.2	Very low	199 Å²	199	156.2 Å²	156.2	78%	0.78	82%	0.817	S	S	*	*			trans	-87.8	150.7	163.9	-86.5	-92	0	0	0	110.7
58	I	29.1	Very low	29.1	Very low	167 Å²	167	156.2 Å²	156.2	86%	0.856	81%	0.811	S	S	*	*			trans	-130.4	126.1	157.2	-61	-176.7	0	0	0	109.4
59	Q	23.9	Very low	29.3	Very low	183 Å²	183	155 Å²	155	86%	0.855	81%	0.809	S	S	*	*			trans	-118	145.9	178.3	-150.5	177.2	4	0	0	108.1
60	K	30.1	Very low	29.5	Very low	205 Å²	205	153 Å²	153	89%	0.891	81%	0.808	S	S	*	*			trans	-160.9	156.9	159.4	-109.5	-172	-177.5	179.4	0	110.3
61	P	31.7	Very low	29.6	Very low	113 Å²	113	150 Å²	150	73%	0.734	81%	0.808	S	S	*	*				-125	167.8	-114.7	31.6	-11.6	0	0	0	116.4
62	M	31.1	Very low	29.9	Very low	174 Å²	174	147.2 Å²	147.2	86%	0.857	80%	0.803	S	S	*	*			trans	1	140	157.1	-56.6	-66.7	-142.6	0	0	121.6
63	D	36.1	Very low	30	Very low	158 Å²	158	145.6 Å²	145.6	85%	0.845	80%	0.801	S	S	*	*				-155.2	153.2	119.9	-152	0.7	0	0	0	111.9
64	D	33.9	Very low	29.9	Very low	147 Å²	147	150.7 Å²	150.7	79%	0.786	81%	0.814	S	S	*	*			trans	-83.4	164.8	-154.8	-71.6	-43.4	0	0	0	118.4
65	G	34.8	Very low	29.8	Very low	70 Å²	70	151 Å²	151	72%	0.722	81%	0.81	S	S	*	*			trans	152.4	87.1	147.6	0	0	0	0	0	119.2
66	L	34.8	Very low	29.9	Very low	163 Å²	163	150.8 Å²	150.8	85%	0.853	81%	0.812	S	S	*	*			trans	22.3	145.2	133.3	-61.5	162.2	0	0	0	119.5
67	D	31.8	Very low	29.8	Very low	128 Å²	128	153.6 Å²	153.6	68%	0.684	81%	0.811	S	S	*	*			cis	-169	161.6	10.1	-135.6	-15.4	0	0	0	110.9
68	E	29.8	Very low	29.9	Very low	153 Å²	153	151.6 Å²	151.6	72%	0.715	81%	0.809	S	S	*	*			trans	59.5	108.8	145.9	-80	-178.4	170.7	0	0	125.8
69	T	28	Very low	29.8	Very low	126 Å²	126	150.2 Å²	150.2	77%	0.773	81%	0.808	S	S	*	*				47.2	116.3	124.6	65.4	0	0	0	0	121.7
70	A	31.9	Very low	29.9	Very low	99 Å²	99	147.8 Å²	147.8	82%	0.818	80%	0.801	S	S	*	*				-172.1	125.3	127	0	0	0	0	0	112.3
71	S	27.8	Very low	29.9	Very low	122 Å²	122	146.7 Å²	146.7	85%	0.853	80%	0.799	S	S	*	*			trans	-59.4	128	176.3	-51.9	0	0	0	0	114.3
72	V	30.1	Very low	29.7	Very low	130 Å²	130	148.2 Å²	148.2	79%	0.788	80%	0.801	S	S	*	*			trans	-144.4	107.5	155.6	-174.6	0	0	0	0	111
73	N	31.1	Very low	29.9	Very low	158 Å²	158	143.6 Å²	143.6	85%	0.845	79%	0.786	S	S	*	*			trans	28	103.6	148.7	-68.4	-36.1	0	0	0	119.5
74	L	27.8	Very low	29.9	Very low	165 Å²	165	140.8 Å²	140.8	86%	0.864	78%	0.779	S	S	*	*			trans	-69.6	130	153.4	-82.1	99.3	0	0	0	110.4
75	Q	27.1	Very low	30.2	Very low	176 Å²	176	137.4 Å²	137.4	82%	0.822	76%	0.757	S	S	*	*				-178.3	117.5	114.8	-98.6	162.4	-1	0	0	112.2
76	I	26.6	Very low	30.4	Very low	161 Å²	161	137.6 Å²	137.6	83%	0.826	74%	0.741	S	S	*	*			trans	77.7	78.9	152.8	-46.1	165	0	0	0	115.9
77	R	24.6	Very low	30.5	Very low	228 Å²	228	136.8 Å²	136.8	86%	0.86	73%	0.733	S	S	*	*			trans	-141.4	125.9	149.5	-80.7	-168	176.8	-174.9	-1.8	109.9
78	Q	26.3	Very low	31.1	Very low	157 Å²	157	134.6 Å²	134.6	73%	0.734	73%	0.728	S	S	*	*			trans	50.7	97.6	149.1	-66.7	167.2	-52.4	0	0	117.7
79	T	26.6	Very low	32.2	Very low	138 Å²	138	128.1 Å²	128.1	85%	0.847	70%	0.699	S	S	*	*			trans	-106.5	85.2	147	52.4	0	0	0	0	107.6	Q81	T79-Q81 PolarHBondContact O-N 2.88Å
80	D	26.4	Very low	33.5	Very low	132 Å²	132	124.9 Å²	124.9	71%	0.706	68%	0.675	S	S	*	*			trans	-63.8	100.9	155.9	-75.3	-41.2	0	0	0	106.6	D82	D80-D82 PolarHBondContact O-N 3.24Å
81	Q	28.8	Very low	34.6	Very low	182 Å²	182	122.6 Å²	122.6	85%	0.85	65%	0.653	S	S	*	*			trans	-88.3	93.5	159	-85.5	-169.8	-30.9	0	0	106.6	T79 S83	T79-Q81 PolarHBondContact O-N 2.88Å; Q81-S83 PolarHBondContact O-N 2.91Å
82	D	29	Very low	36	Very low	145 Å²	145	118.8 Å²	118.8	78%	0.775	62%	0.623	S	S	*	*			trans	-51.1	104.2	164.9	-76.8	-40.8	0	0	0	109.1	D80 S84	D80-D82 PolarHBondContact O-N 3.24Å; D82-S84 PolarHBondContact O-N 3.07Å
83	S	35.5	Very low	37.4	Very low	77 Å²	77	114 Å²	114	54%	0.538	59%	0.593	S	S	.	*			trans	-67.1	122.5	173.7	177	0	0	0	0	108.5	Q81 F85	Q81-S83 PolarHBondContact O-N 2.91Å; S83-F85 PolarHBondContact O-N 2.88Å; S83-F85 WeakPolarHBondContact OG-CD2 3.47Å
84	S	35.7	Very low	38.8	Very low	100 Å²	100	114.1 Å²	114.1	70%	0.699	59%	0.589	S	S	*	*	S	Bend	trans	-61.4	11.6	-172.6	56.8	0	0	0	0	116.8	D82 I86	D82-S84 PolarHBondContact O-N 3.07Å; S84-I86 VanDerWaalsContact C-N 3.27Å; S84-I86 PolarHBondContact O-N 3.16Å
85	F	39.4	Very low	40.4	Very low	76 Å²	76	108.3 Å²	108.3	33%	0.333	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.6	8.8	-175.7	-87	-83.4	0	0	0	115.4	S83 E90 I93	S83-F85 PolarHBondContact O-N 2.88Å; S83-F85 WeakPolarHBondContact OG-CD2 3.47Å; F85-E90 WeakPolarHBondContact CE1-OE2 3.32Å; F85-I93 HydrophobicContact CE1-CD1 3.59Å; F85-I93 HydrophobicContact CE1-CG1 3.86Å; F85-I93 HydrophobicContact CE1-CG2 4.19Å; F85-I93 HydrophobicContact CZ-CD1 4.2Å; F85-I93 HydrophobicContact CZ-CG1 4.3Å; F85-I93 HydrophobicContact CZ-CG2 3.75Å
86	I	40.4	Very low	41.7	Very low	74 Å²	74	106.8 Å²	106.8	38%	0.379	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89	-4.9	-168.6	-62.9	-178.2	0	0	0	113.1	S84	S84-I86 VanDerWaalsContact C-N 3.27Å; S84-I86 PolarHBondContact O-N 3.16Å
87	Q	36.6	Very low	43.3	Very low	145 Å²	145	104.8 Å²	104.8	68%	0.678	54%	0.542	S	S	*	.	S	Bend	trans	-132	119	-175.8	-70.8	-178.5	-9.4	0	0	113.1
88	S	43.5	Very low	45.1	Very low	82 Å²	82	94.9 Å²	94.9	57%	0.573	51%	0.506	S	S	*	.	S	Bend	trans	73.2	159.1	167.8	77.6	0	0	0	0	117.1	E90	S88-E90 PolarHBondContact O-N 2.9Å
89	S	52.6	Low	46.8	Very low	18 Å²	18	91 Å²	91	13%	0.126	49%	0.488	C	S	.	.			trans	-62.8	117.8	172.8	-55.5	0	0	0	0	109.5	A340 Q377	S89-A340 WeakPolarHBondContact OG-CB 3.38Å; S89-Q377 PolarHBondContact OG-OE1 3.3Å; S89-Q377 VanDerWaalsContact OG-OE1 3.13Å
90	E	56.8	Low	48.3	Very low	57 Å²	57	88 Å²	88	27%	0.266	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.6	-179.4	-70.2	-171.8	173.4	0	0	109.9	F85 S88 I93 H339	F85-E90 WeakPolarHBondContact CE1-OE2 3.32Å; S88-E90 PolarHBondContact O-N 2.9Å; E90-I93 HydrophobicContact CB-CG1 4.29Å; E90-H339 CarbonylContact C-O 3.54Å; E90-H339 PolarHBondContact N-O 3.48Å; E90-H339 PolarHBondContact O-N 3.49Å
91	S	53.9	Low	50.1	Low	51 Å²	51	84.6 Å²	84.6	36%	0.357	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	138.5	167.2	68.9	0	0	0	0	110.2
92	D	56.7	Low	51.9	Low	42 Å²	42	76.4 Å²	76.4	23%	0.225	41%	0.407	C	S	.	.	S	Bend	trans	63.1	50.1	179.8	-56.2	-98.7	0	0	0	112.7	E94 S336 V337 W381 R385 H386	D92-E94 PolarHBondContact O-N 2.9Å; D92-E94 VanDerWaalsContact O-N 3.14Å; D92-S336 VanDerWaalsContact CG-OG 3.31Å; D92-S336 PolarHBondContact OD1-OG 3.14Å; D92-V337 WeakPolarHBondContact CA-O 3.46Å; D92-V337 PolarHBondContact N-O 3.13Å; D92-W381 VanDerWaalsContact OD2-CD1 3.22Å; D92-W381 PolarHBondContact OD2-NE1 3.21Å; D92-R385 IonicContact OD1-CZ 3.07Å; D92-R385 IonicContact OD1-NE 3.48Å; D92-R385 IonicContact OD1-NH2 3.5Å; D92-R385 WeakPolarHBondContact OD2-CD 3.48Å; D92-R385 IonicContact OD2-CZ 3.49Å; D92-R385 IonicContact OD2-NE 2.87Å; D92-R385 PolarHBondContact OD2-NE 3.42Å; D92-R385 IonicContact OD2-NH1 3.86Å; D92-R385 PolarHBondContact OD2-NH1 3.37Å; D92-R385 IonicContact OD2-NH2 3.4Å; D92-R385 PolarHBondContact OD2-NH2 3.36Å; D92-H386 IonicContact OD1-CE1 3.6Å; D92-H386 IonicContact OD1-NE2 3.54Å
93	I	60.7	Low	53.3	Low	29 Å²	29	72.1 Å²	72.1	15%	0.149	39%	0.393	C	S	.	.			trans	-43.3	125.8	163.3	-65.5	170.8	0	0	0	107.7	F85 E90 L95 V337 H339 L465	F85-I93 HydrophobicContact CE1-CD1 3.59Å; F85-I93 HydrophobicContact CE1-CG1 3.86Å; F85-I93 HydrophobicContact CE1-CG2 4.19Å; F85-I93 HydrophobicContact CZ-CD1 4.2Å; F85-I93 HydrophobicContact CZ-CG1 4.3Å; F85-I93 HydrophobicContact CZ-CG2 3.75Å; E90-I93 HydrophobicContact CB-CG1 4.29Å; I93-L95 PolarHBondContact O-N 2.96Å; I93-V337 HydrophobicContact CB-CB 4.46Å; I93-V337 HydrophobicContact CB-CG1 4.48Å; I93-V337 HydrophobicContact CD1-CG1 4Å; I93-H339 HydrophobicContact CD1-CB 3.42Å; I93-H339 VanDerWaalsContact CD1-CB 3.42Å; I93-H339 HydrophobicContact CG1-CB 4.43Å; I93-L465 HydrophobicContact CD1-CD2 4.19Å
94	E	59.4	Low	54.5	Low	161 Å²	161	76.2 Å²	76.2	75%	0.752	40%	0.396	S	S	*	.			trans	-51.7	114.7	-176.8	-76.5	-168.3	167.8	0	0	110.2	D92 H96	D92-E94 PolarHBondContact O-N 2.9Å; D92-E94 VanDerWaalsContact O-N 3.14Å; E94-H96 PolarHBondContact O-N 3Å
95	L	62.2	Low	55.6	Low	43 Å²	43	72.1 Å²	72.1	23%	0.225	37%	0.367	C	S	.	.	H	α-helix	trans	-67.5	-9.7	-174.5	-71.4	172.4	0	0	0	112.8	I93 N97 L98 E99 V335 V337	I93-L95 PolarHBondContact O-N 2.96Å; L95-N97 PolarHBondContact O-N 3.07Å; L95-L98 HydrophobicContact CD2-CB 4.39Å; L95-L98 HydrophobicContact CD2-CD2 4.05Å; L95-L98 CarbonylContact O-C 3.45Å; L95-L98 PolarHBondContact O-N 3.37Å; L95-E99 HydrophobicContact CB-CG 4.46Å; L95-E99 PolarHBondContact O-N 2.95Å; L95-V335 WeakPolarHBondContact CD1-O 3.38Å; L95-V337 HydrophobicContact CD2-CG2 3.77Å
96	H	55	Low	56.7	Low	144 Å²	144	70.1 Å²	70.1	67%	0.667	36%	0.362	S	S	*	.	H	α-helix	trans	-55.7	-43.7	-173.8	-164.7	63.4	0	0	0	111.1	E94 E100	E94-H96 PolarHBondContact O-N 3Å; H96-E100 WeakPolarHBondContact O-CB 3.29Å; H96-E100 PolarHBondContact O-N 2.7Å
97	N	58.6	Low	57.6	Low	119 Å²	119	69.9 Å²	69.9	64%	0.636	36%	0.361	S	S	*	.	H	α-helix	trans	-72.9	-33.2	175.7	-68.2	-23.6	0	0	0	112.9	L95 L101	L95-N97 PolarHBondContact O-N 3.07Å; N97-L101 WeakPolarHBondContact O-CB 3.4Å; N97-L101 PolarHBondContact O-N 2.73Å
98	L	64	Low	58.8	Low	20 Å²	20	64.6 Å²	64.6	11%	0.105	34%	0.34	C	S	.	.	H	α-helix	trans	-78.3	-42.3	-179.3	-178.4	61.8	0	0	0	112.7	L95 E100 L101 L102 L325 V337 I469	L95-L98 HydrophobicContact CD2-CB 4.39Å; L95-L98 HydrophobicContact CD2-CD2 4.05Å; L95-L98 CarbonylContact O-C 3.45Å; L95-L98 PolarHBondContact O-N 3.37Å; L98-E100 VanDerWaalsContact C-N 3.31Å; L98-L101 HydrophobicContact CD1-CD2 4.19Å; L98-L101 PolarHBondContact O-N 3.48Å; L98-L102 HydrophobicContact CD1-CD1 4.14Å; L98-L102 HydrophobicContact CD1-CG 3.97Å; L98-L102 HydrophobicContact CD2-CD1 4.48Å; L98-L102 HydrophobicContact CG-CD1 3.94Å; L98-L102 HydrophobicContact CG-CG 4.21Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 WeakPolarHBondContact O-CG 3.46Å; L98-L102 PolarHBondContact O-N 3.2Å; L98-L325 HydrophobicContact CD2-CD2 4.21Å; L98-V337 HydrophobicContact CD2-CG2 3.38Å; L98-I469 HydrophobicContact CD1-CD1 3.57Å; L98-I469 HydrophobicContact CD1-CG1 3.81Å
99	E	61.1	Low	60.1	Low	77 Å²	77	61.2 Å²	61.2	36%	0.36	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-41.3	171.9	-81.2	-153.2	136.7	0	0	110	L95 L102 A103 K333	L95-E99 HydrophobicContact CB-CG 4.46Å; L95-E99 PolarHBondContact O-N 2.95Å; E99-L102 PolarHBondContact O-N 3.09Å; E99-A103 WeakPolarHBondContact O-CA 3.33Å; E99-A103 WeakPolarHBondContact O-CB 3.37Å; E99-A103 PolarHBondContact O-N 3.32Å; E99-K333 WeakPolarHBondContact OE1-CD 3.48Å; E99-K333 IonicContact OE1-NZ 3.83Å; E99-K333 PolarHBondContact OE1-NZ 3.17Å; E99-K333 IonicContact OE2-NZ 3.61Å
100	E	58.7	Low	60.9	Low	75 Å²	75	63 Å²	63	35%	0.35	33%	0.326	S	S	.	.	H	α-helix	trans	-63.2	-45.8	173.2	-178.7	168.6	-145.5	0	0	111.5	H96 L98 L102 A103 R104	H96-E100 WeakPolarHBondContact O-CB 3.29Å; H96-E100 PolarHBondContact O-N 2.7Å; L98-E100 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 3.4Å; E100-A103 PolarHBondContact O-N 3.14Å; E100-R104 VanDerWaalsContact CD-CZ 3.43Å; E100-R104 VanDerWaalsContact CD-NE 3.35Å; E100-R104 HydrophobicContact CG-CG 4.09Å; E100-R104 VanDerWaalsContact CG-NE 3.31Å; E100-R104 VanDerWaalsContact O-CB 3.25Å; E100-R104 WeakPolarHBondContact O-CB 3.27Å; E100-R104 WeakPolarHBondContact O-CG 3.31Å; E100-R104 PolarHBondContact O-N 3.37Å; E100-R104 IonicContact OE1-CZ 2.62Å; E100-R104 IonicContact OE1-NE 3.47Å; E100-R104 PolarHBondContact OE1-NE 3.44Å; E100-R104 IonicContact OE1-NH2 2.88Å; E100-R104 PolarHBondContact OE1-NH2 3.15Å; E100-R104 IonicContact OE2-CZ 3.14Å; E100-R104 IonicContact OE2-NH2 3.1Å
101	L	63.5	Low	61.3	Low	60 Å²	60	62.3 Å²	62.3	31%	0.314	32%	0.321	S	S	.	.	H	α-helix	trans	-59.3	-48.5	174.7	-179	70	0	0	0	110.9	N97 L98 A103 R104 T105 V458 I469	N97-L101 WeakPolarHBondContact O-CB 3.4Å; N97-L101 PolarHBondContact O-N 2.73Å; L98-L101 HydrophobicContact CD1-CD2 4.19Å; L98-L101 PolarHBondContact O-N 3.48Å; L101-A103 VanDerWaalsContact C-N 3.3Å; L101-A103 PolarHBondContact O-N 3.09Å; L101-R104 PolarHBondContact O-N 3.04Å; L101-T105 HydrophobicContact CD1-CG2 4.22Å; L101-T105 HydrophobicContact CG-CG2 4.43Å; L101-T105 VanDerWaalsContact O-CB 3.25Å; L101-T105 WeakPolarHBondContact O-CB 3.46Å; L101-T105 WeakPolarHBondContact O-CG2 3.36Å; L101-T105 PolarHBondContact O-N 3.43Å; L101-T105 PolarHBondContact O-OG1 2.92Å; L101-V458 HydrophobicContact CD1-CG1 3.9Å; L101-V458 HydrophobicContact CD2-CG1 4.06Å; L101-V458 HydrophobicContact CG-CG1 4.18Å; L101-I469 HydrophobicContact CD2-CD1 4.25Å
102	L	66.1	Low	61.7	Low	9 Å²	9	63.3 Å²	63.3	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-66.1	-31	178.1	-73.4	175.9	0	0	0	112	L98 E99 E100 T105 S106 C334 I469 L472 R473	L98-L102 HydrophobicContact CD1-CD1 4.14Å; L98-L102 HydrophobicContact CD1-CG 3.97Å; L98-L102 HydrophobicContact CD2-CD1 4.48Å; L98-L102 HydrophobicContact CG-CD1 3.94Å; L98-L102 HydrophobicContact CG-CG 4.21Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 WeakPolarHBondContact O-CG 3.46Å; L98-L102 PolarHBondContact O-N 3.2Å; E99-L102 PolarHBondContact O-N 3.09Å; E100-L102 PolarHBondContact O-N 3.4Å; L102-T105 VanDerWaalsContact CA-OG1 3.27Å; L102-T105 WeakPolarHBondContact CA-OG1 3.38Å; L102-T105 PolarHBondContact O-OG1 3.47Å; L102-S106 WeakPolarHBondContact O-CA 3.42Å; L102-S106 WeakPolarHBondContact O-CB 3.47Å; L102-S106 PolarHBondContact O-N 2.91Å; L102-C334 HydrophobicContact CD1-CB 4.09Å; L102-I469 HydrophobicContact CD2-CG2 4.09Å; L102-L472 HydrophobicContact CD1-CD2 4.05Å; L102-R473 HydrophobicContact CD2-CG 4.12Å
103	A	60	Low	61.7	Low	56 Å²	56	61.5 Å²	61.5	46%	0.463	31%	0.313	S	S	.	.	H	α-helix	trans	-75.4	-49	175.9	0	0	0	0	0	111.1	E99 E100 L101 T105 S106 I107	E99-A103 WeakPolarHBondContact O-CA 3.33Å; E99-A103 WeakPolarHBondContact O-CB 3.37Å; E99-A103 PolarHBondContact O-N 3.32Å; E100-A103 PolarHBondContact O-N 3.14Å; L101-A103 VanDerWaalsContact C-N 3.3Å; L101-A103 PolarHBondContact O-N 3.09Å; A103-T105 VanDerWaalsContact C-N 3.32Å; A103-T105 PolarHBondContact O-N 3.11Å; A103-S106 WeakPolarHBondContact O-CB 3.3Å; A103-S106 PolarHBondContact O-N 2.85Å; A103-S106 VanDerWaalsContact O-N 3.16Å; A103-I107 PolarHBondContact O-N 3.42Å; A103-I107 VanDerWaalsContact O-N 3.14Å
104	R	59.2	Low	61.5	Low	163 Å²	163	61.5 Å²	61.5	62%	0.615	32%	0.315	S	S	*	.	H	α-helix	trans	-58.4	-44	175	-72.2	176.1	178.7	-169.4	1.1	110.9	E100 L101 I107	E100-R104 VanDerWaalsContact CD-CZ 3.43Å; E100-R104 VanDerWaalsContact CD-NE 3.35Å; E100-R104 HydrophobicContact CG-CG 4.09Å; E100-R104 VanDerWaalsContact CG-NE 3.31Å; E100-R104 VanDerWaalsContact O-CB 3.25Å; E100-R104 WeakPolarHBondContact O-CB 3.27Å; E100-R104 WeakPolarHBondContact O-CG 3.31Å; E100-R104 PolarHBondContact O-N 3.37Å; E100-R104 IonicContact OE1-CZ 2.62Å; E100-R104 IonicContact OE1-NE 3.47Å; E100-R104 PolarHBondContact OE1-NE 3.44Å; E100-R104 IonicContact OE1-NH2 2.88Å; E100-R104 PolarHBondContact OE1-NH2 3.15Å; E100-R104 IonicContact OE2-CZ 3.14Å; E100-R104 IonicContact OE2-NH2 3.1Å; L101-R104 PolarHBondContact O-N 3.04Å; R104-I107 PolarHBondContact O-N 2.89Å
105	T	59.9	Low	61.3	Low	13 Å²	13	56.3 Å²	56.3	8%	0.08	29%	0.294	C	S	.	.	H	α-helix	trans	-72.9	-34.9	175.5	56.8	0	0	0	0	112	L101 L102 A103 I107 S108 D109 V458	L101-T105 HydrophobicContact CD1-CG2 4.22Å; L101-T105 HydrophobicContact CG-CG2 4.43Å; L101-T105 VanDerWaalsContact O-CB 3.25Å; L101-T105 WeakPolarHBondContact O-CB 3.46Å; L101-T105 WeakPolarHBondContact O-CG2 3.36Å; L101-T105 PolarHBondContact O-N 3.43Å; L101-T105 PolarHBondContact O-OG1 2.92Å; L102-T105 VanDerWaalsContact CA-OG1 3.27Å; L102-T105 WeakPolarHBondContact CA-OG1 3.38Å; L102-T105 PolarHBondContact O-OG1 3.47Å; A103-T105 VanDerWaalsContact C-N 3.32Å; A103-T105 PolarHBondContact O-N 3.11Å; T105-I107 PolarHBondContact O-N 3.2Å; T105-S108 WeakPolarHBondContact CA-OG 3.31Å; T105-S108 CarbonylContact O-C 3.52Å; T105-S108 WeakPolarHBondContact O-CA 3.47Å; T105-S108 PolarHBondContact O-N 3.47Å; T105-S108 PolarHBondContact O-OG 2.95Å; T105-D109 WeakPolarHBondContact O-CB 3.43Å; T105-D109 PolarHBondContact O-N 3.41Å; T105-V458 HydrophobicContact CG2-CB 4.43Å; T105-V458 HydrophobicContact CG2-CG1 4.1Å; T105-V458 HydrophobicContact CG2-CG2 3.52Å
106	S	61.2	Low	61.2	Low	35 Å²	35	59.3 Å²	59.3	25%	0.245	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-30	175.1	-174.6	0	0	0	0	112.5	L102 A103 D109 V110	L102-S106 WeakPolarHBondContact O-CA 3.42Å; L102-S106 WeakPolarHBondContact O-CB 3.47Å; L102-S106 PolarHBondContact O-N 2.91Å; A103-S106 WeakPolarHBondContact O-CB 3.3Å; A103-S106 PolarHBondContact O-N 2.85Å; A103-S106 VanDerWaalsContact O-N 3.16Å; S106-D109 PolarHBondContact O-N 3.36Å; S106-V110 PolarHBondContact O-N 3.18Å
107	I	60.3	Low	61.3	Low	69 Å²	69	54.9 Å²	54.9	35%	0.354	29%	0.287	S	S	.	.	H	α-helix	trans	-66.1	-41.4	172.9	-66.1	165.1	0	0	0	110.6	A103 R104 T105 D109 L140	A103-I107 PolarHBondContact O-N 3.42Å; A103-I107 VanDerWaalsContact O-N 3.14Å; R104-I107 PolarHBondContact O-N 2.89Å; T105-I107 PolarHBondContact O-N 3.2Å; I107-D109 VanDerWaalsContact C-N 3.3Å; I107-L140 HydrophobicContact CG2-CD1 3.67Å
108	S	61.9	Low	61.1	Low	33 Å²	33	57.6 Å²	57.6	23%	0.231	30%	0.301	C	S	.	.	H	α-helix	trans	-73.8	-20.7	174.7	55.7	0	0	0	0	114.1	T105 L196	T105-S108 WeakPolarHBondContact CA-OG 3.31Å; T105-S108 CarbonylContact O-C 3.52Å; T105-S108 WeakPolarHBondContact O-CA 3.47Å; T105-S108 PolarHBondContact O-N 3.47Å; T105-S108 PolarHBondContact O-OG 2.95Å; S108-L196 WeakPolarHBondContact O-CD1 3.42Å
109	D	69.6	Low	61	Low	12 Å²	12	62.6 Å²	62.6	6%	0.064	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-4	-174.7	-63.6	-6.3	0	0	0	113.5	T105 S106 I107 N194 L196 L455 R473	T105-D109 WeakPolarHBondContact O-CB 3.43Å; T105-D109 PolarHBondContact O-N 3.41Å; S106-D109 PolarHBondContact O-N 3.36Å; I107-D109 VanDerWaalsContact C-N 3.3Å; D109-N194 PolarHBondContact O-ND2 2.94Å; D109-L196 VanDerWaalsContact C-CD1 3.43Å; D109-L196 WeakPolarHBondContact O-CD1 3.36Å; D109-L455 HydrophobicContact CB-CD2 3.64Å; D109-R473 IonicContact OD1-CZ 3.59Å; D109-R473 IonicContact OD1-NE 3.81Å; D109-R473 IonicContact OD1-NH2 2.64Å; D109-R473 PolarHBondContact OD1-NH2 2.99Å; D109-R473 IonicContact OD2-CZ 3.61Å; D109-R473 VanDerWaalsContact OD2-CZ 3.32Å; D109-R473 IonicContact OD2-NE 2.76Å; D109-R473 PolarHBondContact OD2-NE 2.86Å; D109-R473 IonicContact OD2-NH2 2.76Å; D109-R473 PolarHBondContact OD2-NH2 2.83Å; D109-R473 VanDerWaalsContact OD2-NH2 3.12Å
110	V	70.2	Confident	61	Low	55 Å²	55	61 Å²	61	33%	0.333	33%	0.332	S	S	.	.			trans	-127	120.5	176.8	179.7	0	0	0	0	108.8	S106 L112	S106-V110 PolarHBondContact O-N 3.18Å; V110-L112 HydrophobicContact CG1-CD1 4.4Å; V110-L112 HydrophobicContact CG1-CD2 4.4Å; V110-L112 HydrophobicContact CG1-CG 3.96Å
111	Y	64.2	Low	61	Low	43 Å²	43	64.5 Å²	64.5	17%	0.169	35%	0.346	C	S	.	.			trans	-117.2	109.1	169.3	-173.9	-107.5	0	0	0	110.2	V115 L125 N194 Q195	Y111-V115 PolarHBondContact OH-N 2.88Å; Y111-L125 HydrophobicContact CD1-CD1 3.62Å; Y111-L125 HydrophobicContact CD1-CD2 3.71Å; Y111-L125 HydrophobicContact CD1-CG 3.89Å; Y111-L125 HydrophobicContact CD2-CD2 3.82Å; Y111-L125 HydrophobicContact CE1-CD1 3.85Å; Y111-L125 HydrophobicContact CE1-CD2 4.04Å; Y111-L125 HydrophobicContact CE1-CG 3.89Å; Y111-L125 HydrophobicContact CE2-CD2 4.16Å; Y111-L125 HydrophobicContact CG-CD1 4.31Å; Y111-L125 HydrophobicContact CG-CD2 3.58Å; Y111-L125 HydrophobicContact CG-CG 4.28Å; Y111-N194 PolarHBondContact N-OD1 2.83Å; Y111-Q195 HydrophobicContact CD1-CB 4.01Å; Y111-Q195 WeakPolarHBondContact O-CB 3.37Å; Y111-Q195 PolarHBondContact O-N 2.68Å
112	L	62.5	Low	60.7	Low	71 Å²	71	62.6 Å²	62.6	37%	0.372	34%	0.336	S	S	.	.			trans	-102	64.1	168.1	-58.3	174.1	0	0	0	107.7	V110	V110-L112 HydrophobicContact CG1-CD1 4.4Å; V110-L112 HydrophobicContact CG1-CD2 4.4Å; V110-L112 HydrophobicContact CG1-CG 3.96Å
113	G	58.5	Low	60.3	Low	4 Å²	4	63.4 Å²	63.4	4%	0.041	34%	0.34	C	S	.	.			trans	-66.5	-172.3	164.4	0	0	0	0	0	110.8	Y189 Q195	G113-Y189 WeakPolarHBondContact O-CB 3.45Å; G113-Y189 WeakPolarHBondContact O-CD2 3.48Å; G113-Y189 WeakPolarHBondContact O-CE2 3.16Å; G113-Q195 PolarHBondContact O-NE2 2.93Å
114	P	55.8	Low	59.9	Low	29 Å²	29	65.3 Å²	65.3	19%	0.188	35%	0.348	C	S	.	.			cis	-95	129	17.9	34.7	-33.4	0	0	0	110.4	K116 I122 Y189	P114-K116 HydrophobicContact CB-CG 4.1Å; P114-K116 HydrophobicContact CG-CG 4.43Å; P114-K116 PolarHBondContact O-N 3.1Å; P114-I122 HydrophobicContact CB-CG1 4.38Å; P114-Y189 VanDerWaalsContact CD-CD2 3.48Å; P114-Y189 HydrophobicContact CG-CD1 3.94Å; P114-Y189 HydrophobicContact CG-CE1 4.09Å; P114-Y189 HydrophobicContact CG-CG 4.28Å
115	V	53.8	Low	59.9	Low	52 Å²	52	59.2 Å²	59.2	32%	0.315	33%	0.327	S	S	.	.			trans	-82.5	104.5	146.9	-166.6	0	0	0	0	104.9	Y111 I123 F133	Y111-V115 PolarHBondContact OH-N 2.88Å; V115-I123 HydrophobicContact CB-CD1 3.9Å; V115-I123 HydrophobicContact CB-CG1 4.5Å; V115-I123 HydrophobicContact CG1-CD1 3.43Å; V115-I123 VanDerWaalsContact CG1-CD1 3.43Å; V115-I123 HydrophobicContact CG1-CG1 4.42Å; V115-I123 WeakPolarHBondContact O-CB 3.31Å; V115-I123 VanDerWaalsContact O-CG1 3.25Å; V115-I123 WeakPolarHBondContact O-CG1 3.31Å; V115-I123 PolarHBondContact O-N 3.48Å; V115-F133 HydrophobicContact CG1-CZ 4.19Å
116	K	60.1	Low	59.6	Low	107 Å²	107	62.4 Å²	62.4	47%	0.465	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-79.4	139.6	166.1	-66.9	179.7	179.8	176.8	0	107.3	P114 K121 I122	P114-K116 HydrophobicContact CB-CG 4.1Å; P114-K116 HydrophobicContact CG-CG 4.43Å; P114-K116 PolarHBondContact O-N 3.1Å; K116-K121 CarbonylContact C-O 3.51Å; K116-K121 VanDerWaalsContact CA-O 3.29Å; K116-K121 WeakPolarHBondContact CA-O 3.34Å; K116-I122 HydrophobicContact CG-CG1 4.45Å
117	N	58.3	Low	59.1	Low	51 Å²	51	64.8 Å²	64.8	27%	0.273	36%	0.356	S	S	.	.			trans	-68.5	173.8	167	76	-12.4	0	0	0	109.4	D119 G120 K121 I123	N117-D119 PolarHBondContact ND2-OD2 3.11Å; N117-D119 PolarHBondContact O-N 3.29Å; N117-D119 PolarHBondContact OD1-N 2.83Å; N117-D119 VanDerWaalsContact OD1-N 3.14Å; N117-G120 PolarHBondContact O-N 3.43Å; N117-G120 PolarHBondContact OD1-N 2.57Å; N117-K121 PolarHBondContact N-O 2.86Å; N117-K121 WeakPolarHBondContact OD1-CA 3.46Å; N117-K121 WeakPolarHBondContact OD1-CB 3.44Å; N117-K121 PolarHBondContact OD1-N 3.21Å; N117-K121 PolarHBondContact OD1-O 2.87Å; N117-K121 VanDerWaalsContact OD1-O 3.11Å; N117-I123 HydrophobicContact CB-CD1 4.38Å; N117-I123 HydrophobicContact CB-CG1 3.92Å
118	N	54.5	Low	58.6	Low	175 Å²	175	68.4 Å²	68.4	94%	0.936	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.2	179.7	-65.5	-11.3	0	0	0	113.6	G120	N118-G120 VanDerWaalsContact C-N 3.31Å
119	D	62.4	Low	58	Low	126 Å²	126	73.3 Å²	73.3	67%	0.674	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	6	177.8	-43.7	-48.9	0	0	0	113.2	N117 K121	N117-D119 PolarHBondContact ND2-OD2 3.11Å; N117-D119 PolarHBondContact O-N 3.29Å; N117-D119 PolarHBondContact OD1-N 2.83Å; N117-D119 VanDerWaalsContact OD1-N 3.14Å; D119-K121 PolarHBondContact O-N 3.19Å
120	G	59.6	Low	57.1	Low	43 Å²	43	75 Å²	75	44%	0.443	39%	0.391	S	S	.	.	S	Bend	trans	74.8	3.8	-177.2	0	0	0	0	0	114.7	N117 N118	N117-G120 PolarHBondContact O-N 3.43Å; N117-G120 PolarHBondContact OD1-N 2.57Å; N118-G120 VanDerWaalsContact C-N 3.31Å
121	K	59.1	Low	55.9	Low	149 Å²	149	76 Å²	76	65%	0.648	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-79.5	135.9	174.3	-66.9	-178.1	177.6	174.5	0	109.7	K116 N117 D119 I123	K116-K121 CarbonylContact C-O 3.51Å; K116-K121 VanDerWaalsContact CA-O 3.29Å; K116-K121 WeakPolarHBondContact CA-O 3.34Å; N117-K121 PolarHBondContact N-O 2.86Å; N117-K121 WeakPolarHBondContact OD1-CA 3.46Å; N117-K121 WeakPolarHBondContact OD1-CB 3.44Å; N117-K121 PolarHBondContact OD1-N 3.21Å; N117-K121 PolarHBondContact OD1-O 2.87Å; N117-K121 VanDerWaalsContact OD1-O 3.11Å; D119-K121 PolarHBondContact O-N 3.19Å; K121-I123 PolarHBondContact O-N 3.13Å
122	I	58.1	Low	54.9	Low	20 Å²	20	79.6 Å²	79.6	10%	0.103	42%	0.418	C	S	.	.	B	Isolated β-bridge	trans	-62.7	125	174.9	-61	174.7	0	0	0	108	P114 K116 P124 D182 R185	P114-I122 HydrophobicContact CB-CG1 4.38Å; K116-I122 HydrophobicContact CG-CG1 4.45Å; I122-P124 WeakPolarHBondContact O-CD 3.48Å; I122-D182 HydrophobicContact CD1-CB 4.2Å; I122-R185 HydrophobicContact CD1-CB 4.07Å
123	I	57.1	Low	54	Low	26 Å²	26	80.6 Å²	80.6	13%	0.133	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-61.8	127.6	178.3	-65.1	177.8	0	0	0	108.2	V115 N117 K121 L125	V115-I123 HydrophobicContact CB-CD1 3.9Å; V115-I123 HydrophobicContact CB-CG1 4.5Å; V115-I123 HydrophobicContact CG1-CD1 3.43Å; V115-I123 VanDerWaalsContact CG1-CD1 3.43Å; V115-I123 HydrophobicContact CG1-CG1 4.42Å; V115-I123 WeakPolarHBondContact O-CB 3.31Å; V115-I123 VanDerWaalsContact O-CG1 3.25Å; V115-I123 WeakPolarHBondContact O-CG1 3.31Å; V115-I123 PolarHBondContact O-N 3.48Å; N117-I123 HydrophobicContact CB-CD1 4.38Å; N117-I123 HydrophobicContact CB-CG1 3.92Å; K121-I123 PolarHBondContact O-N 3.13Å; I123-L125 PolarHBondContact O-N 3.34Å
124	P	52.3	Low	53.3	Low	95 Å²	95	82.7 Å²	82.7	62%	0.617	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-55.4	132.1	172.8	-24.5	33.8	0	0	0	110.6	I122 D126	I122-P124 WeakPolarHBondContact O-CD 3.48Å; P124-D126 PolarHBondContact O-N 2.82Å
125	L	58	Low	52.6	Low	35 Å²	35	88 Å²	88	18%	0.183	46%	0.457	C	S	.	.			trans	-70.3	72.9	176.4	-98	149.8	0	0	0	110.1	Y111 I123 R130 L196	Y111-L125 HydrophobicContact CD1-CD1 3.62Å; Y111-L125 HydrophobicContact CD1-CD2 3.71Å; Y111-L125 HydrophobicContact CD1-CG 3.89Å; Y111-L125 HydrophobicContact CD2-CD2 3.82Å; Y111-L125 HydrophobicContact CE1-CD1 3.85Å; Y111-L125 HydrophobicContact CE1-CD2 4.04Å; Y111-L125 HydrophobicContact CE1-CG 3.89Å; Y111-L125 HydrophobicContact CE2-CD2 4.16Å; Y111-L125 HydrophobicContact CG-CD1 4.31Å; Y111-L125 HydrophobicContact CG-CD2 3.58Å; Y111-L125 HydrophobicContact CG-CG 4.28Å; I123-L125 PolarHBondContact O-N 3.34Å; L125-R130 HydrophobicContact CD2-CG 4.34Å; L125-L196 HydrophobicContact CD1-CD2 4.21Å; L125-L196 HydrophobicContact CD2-CD2 3.51Å; L125-L196 HydrophobicContact CG-CD2 4.44Å
126	D	53.8	Low	52	Low	81 Å²	81	90.3 Å²	90.3	43%	0.433	48%	0.475	S	S	.	.			trans	-80.5	139.7	172.3	-155	-18.2	0	0	0	110.4	P124 E128 R129 R130	P124-D126 PolarHBondContact O-N 2.82Å; D126-E128 VanDerWaalsContact C-N 3.29Å; D126-E128 PolarHBondContact O-N 3.45Å; D126-R129 HydrophobicContact CB-CB 4.3Å; D126-R129 HydrophobicContact CB-CG 4.41Å; D126-R129 PolarHBondContact O-N 3.13Å; D126-R130 PolarHBondContact O-N 2.92Å
127	V	51.9	Low	51	Low	84 Å²	84	88.2 Å²	88.2	51%	0.509	47%	0.469	S	S	.	.	H	α-helix	trans	-61.6	-41.2	178.2	-179.8	0	0	0	0	110	R129 R130 T131	V127-R129 PolarHBondContact O-N 2.88Å; V127-R130 VanDerWaalsContact CG2-NH2 3.32Å; V127-R130 WeakPolarHBondContact O-CB 3.39Å; V127-R130 PolarHBondContact O-N 3.4Å; V127-T131 PolarHBondContact O-N 3.44Å; V127-T131 PolarHBondContact O-OG1 2.9Å
128	E	49.6	Very low	49.9	Very low	146 Å²	146	90.6 Å²	90.6	68%	0.682	50%	0.495	S	S	*	.	H	α-helix	trans	-69.3	-31.1	-179.4	-69.4	-174.7	172.1	0	0	113.1	D126 T131 I132	D126-E128 VanDerWaalsContact C-N 3.29Å; D126-E128 PolarHBondContact O-N 3.45Å; E128-T131 PolarHBondContact O-OG1 2.8Å; E128-I132 WeakPolarHBondContact O-CG1 3.33Å
129	R	48.2	Very low	49.1	Very low	136 Å²	136	87.1 Å²	87.1	51%	0.513	49%	0.485	S	S	.	.	H	α-helix	trans	-78.9	-27.6	174	-72	-173.8	177.2	-173.7	-0.6	112.1	D126 V127 T131 I132 F133	D126-R129 HydrophobicContact CB-CB 4.3Å; D126-R129 HydrophobicContact CB-CG 4.41Å; D126-R129 PolarHBondContact O-N 3.13Å; V127-R129 PolarHBondContact O-N 2.88Å; R129-T131 VanDerWaalsContact C-N 3.33Å; R129-T131 PolarHBondContact O-N 3.25Å; R129-I132 PolarHBondContact O-N 3.15Å; R129-F133 WeakPolarHBondContact O-CD2 3.41Å; R129-F133 PolarHBondContact O-N 3.06Å
130	R	51.2	Low	47.8	Very low	46 Å²	46	83.9 Å²	83.9	17%	0.174	47%	0.468	C	S	.	.	H	α-helix	trans	-60	-42.3	172.9	-83.2	-175.5	-85.6	-175.3	-6.3	111.3	L125 D126 V127 F133 N134 G454	L125-R130 HydrophobicContact CD2-CG 4.34Å; D126-R130 PolarHBondContact O-N 2.92Å; V127-R130 VanDerWaalsContact CG2-NH2 3.32Å; V127-R130 WeakPolarHBondContact O-CB 3.39Å; V127-R130 PolarHBondContact O-N 3.4Å; R130-F133 PolarHBondContact O-N 3.31Å; R130-N134 WeakPolarHBondContact O-CB 3.42Å; R130-N134 PolarHBondContact O-N 3.08Å; R130-N134 PolarHBondContact O-ND2 3.21Å; R130-N134 PolarHBondContact O-OD1 3.06Å; R130-G454 PolarHBondContact NH1-O 3.13Å; R130-G454 VanDerWaalsContact NH1-O 3.09Å
131	T	44.7	Very low	46.6	Very low	78 Å²	78	85.3 Å²	85.3	48%	0.479	47%	0.469	S	S	.	.	H	α-helix	trans	-65.5	-39	176.1	32.9	0	0	0	0	112.8	V127 E128 R129 N134 N135	V127-T131 PolarHBondContact O-N 3.44Å; V127-T131 PolarHBondContact O-OG1 2.9Å; E128-T131 PolarHBondContact O-OG1 2.8Å; R129-T131 VanDerWaalsContact C-N 3.33Å; R129-T131 PolarHBondContact O-N 3.25Å; T131-N134 PolarHBondContact O-N 3.22Å; T131-N135 PolarHBondContact O-N 2.81Å
132	I	43.6	Very low	45.6	Very low	118 Å²	118	85.6 Å²	85.6	61%	0.605	47%	0.467	S	S	*	.	H	α-helix	trans	-65	-45.6	176.1	-62.9	168.2	0	0	0	111.2	E128 R129 S136	E128-I132 WeakPolarHBondContact O-CG1 3.33Å; R129-I132 PolarHBondContact O-N 3.15Å; I132-S136 PolarHBondContact O-N 3.12Å
133	F	43.5	Very low	44.6	Very low	91 Å²	91	87.9 Å²	87.9	40%	0.399	49%	0.485	S	S	.	.	H	α-helix	trans	-64.6	-44.5	175.2	-89.1	-76.8	0	0	0	111	V115 R129 R130 N135 S136 L137	V115-F133 HydrophobicContact CG1-CZ 4.19Å; R129-F133 WeakPolarHBondContact O-CD2 3.41Å; R129-F133 PolarHBondContact O-N 3.06Å; R130-F133 PolarHBondContact O-N 3.31Å; F133-N135 VanDerWaalsContact C-N 3.34Å; F133-N135 PolarHBondContact O-N 3.3Å; F133-S136 CarbonylContact O-C 3.39Å; F133-S136 PolarHBondContact O-N 2.86Å; F133-S136 VanDerWaalsContact O-N 3.09Å; F133-L137 HydrophobicContact CB-CD1 4.09Å; F133-L137 HydrophobicContact CD1-CD1 4.36Å; F133-L137 WeakPolarHBondContact O-CB 3.47Å; F133-L137 WeakPolarHBondContact O-CD1 3.26Å; F133-L137 WeakPolarHBondContact O-CG 3.44Å; F133-L137 PolarHBondContact O-N 3.05Å
134	N	43.8	Very low	43.6	Very low	48 Å²	48	92.8 Å²	92.8	26%	0.257	52%	0.521	S	S	.	.	H	α-helix	trans	-61.6	-36.6	-179.5	-73.9	-6	0	0	0	113.1	R130 T131 S136 L137 A138	R130-N134 WeakPolarHBondContact O-CB 3.42Å; R130-N134 PolarHBondContact O-N 3.08Å; R130-N134 PolarHBondContact O-ND2 3.21Å; R130-N134 PolarHBondContact O-OD1 3.06Å; T131-N134 PolarHBondContact O-N 3.22Å; N134-S136 VanDerWaalsContact C-N 3.32Å; N134-S136 PolarHBondContact O-N 2.93Å; N134-L137 CarbonylContact O-C 3.53Å; N134-L137 PolarHBondContact O-N 3.21Å; N134-A138 PolarHBondContact O-N 3.23Å
135	N	41.4	Very low	42.7	Very low	140 Å²	140	93.8 Å²	93.8	75%	0.749	53%	0.526	S	S	*	.	H	α-helix	trans	-70	-27	175.5	-76	-8.6	0	0	0	113	T131 F133	T131-N135 PolarHBondContact O-N 2.81Å; F133-N135 VanDerWaalsContact C-N 3.34Å; F133-N135 PolarHBondContact O-N 3.3Å
136	S	41	Very low	41.3	Very low	101 Å²	101	95.1 Å²	95.1	71%	0.706	54%	0.538	S	S	*	.	H	α-helix	trans	-87.6	-10.5	171.3	-171.7	0	0	0	0	113.2	I132 F133 N134	I132-S136 PolarHBondContact O-N 3.12Å; F133-S136 CarbonylContact O-C 3.39Å; F133-S136 PolarHBondContact O-N 2.86Å; F133-S136 VanDerWaalsContact O-N 3.09Å; N134-S136 VanDerWaalsContact C-N 3.32Å; N134-S136 PolarHBondContact O-N 2.93Å
137	L	38.6	Very low	40.4	Very low	64 Å²	64	100.1 Å²	100.1	34%	0.335	56%	0.564	S	S	.	*			trans	-106	24.5	-178	-89	157	0	0	0	111.7	F133 N134 S139 L140	F133-L137 HydrophobicContact CB-CD1 4.09Å; F133-L137 HydrophobicContact CD1-CD1 4.36Å; F133-L137 WeakPolarHBondContact O-CB 3.47Å; F133-L137 WeakPolarHBondContact O-CD1 3.26Å; F133-L137 WeakPolarHBondContact O-CG 3.44Å; F133-L137 PolarHBondContact O-N 3.05Å; N134-L137 CarbonylContact O-C 3.53Å; N134-L137 PolarHBondContact O-N 3.21Å; L137-S139 PolarHBondContact O-N 3.19Å; L137-L140 HydrophobicContact CB-CD1 3.69Å; L137-L140 HydrophobicContact CB-CG 3.71Å; L137-L140 HydrophobicContact CD1-CD1 4.44Å; L137-L140 HydrophobicContact CD2-CD1 4.17Å; L137-L140 HydrophobicContact CD2-CD2 3.52Å; L137-L140 HydrophobicContact CD2-CG 3.48Å; L137-L140 VanDerWaalsContact CD2-CG 3.48Å; L137-L140 HydrophobicContact CG-CD1 4.3Å; L137-L140 HydrophobicContact CG-CD2 4.47Å; L137-L140 HydrophobicContact CG-CG 4.09Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 WeakPolarHBondContact O-CG 3.43Å; L137-L140 PolarHBondContact O-N 2.98Å
138	A	36.5	Very low	39.5	Very low	100 Å²	100	100.2 Å²	100.2	83%	0.826	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-2.7	168	0	0	0	0	0	113.5	N134	N134-A138 PolarHBondContact O-N 3.23Å
139	S	36.2	Very low	39.1	Very low	103 Å²	103	98.5 Å²	98.5	72%	0.72	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	17.3	168.7	64.2	0	0	0	0	114.5	L137	L137-S139 PolarHBondContact O-N 3.19Å
140	L	36.3	Very low	39.1	Very low	58 Å²	58	94.3 Å²	94.3	30%	0.304	56%	0.556	S	S	.	*			trans	-55.3	138.5	175.4	-89.8	165.1	0	0	0	110.7	I107 L137 Y142	I107-L140 HydrophobicContact CG2-CD1 3.67Å; L137-L140 HydrophobicContact CB-CD1 3.69Å; L137-L140 HydrophobicContact CB-CG 3.71Å; L137-L140 HydrophobicContact CD1-CD1 4.44Å; L137-L140 HydrophobicContact CD2-CD1 4.17Å; L137-L140 HydrophobicContact CD2-CD2 3.52Å; L137-L140 HydrophobicContact CD2-CG 3.48Å; L137-L140 VanDerWaalsContact CD2-CG 3.48Å; L137-L140 HydrophobicContact CG-CD1 4.3Å; L137-L140 HydrophobicContact CG-CD2 4.47Å; L137-L140 HydrophobicContact CG-CG 4.09Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 WeakPolarHBondContact O-CG 3.43Å; L137-L140 PolarHBondContact O-N 2.98Å; L140-Y142 PolarHBondContact O-N 2.91Å
141	P	33.7	Very low	39.3	Very low	72 Å²	72	95.3 Å²	95.3	47%	0.468	57%	0.568	S	S	.	*	S	Bend	trans	-73.3	12.7	-160.1	31	-36.6	0	0	0	114.9	S143 F149	P141-S143 PolarHBondContact O-N 2.85Å; P141-F149 HydrophobicContact CB-CZ 4.07Å
142	Y	39.3	Very low	40.1	Very low	156 Å²	156	95.5 Å²	95.5	61%	0.612	57%	0.57	S	S	*	*			trans	-85.6	51.9	177.3	-67.6	-80.4	0	0	0	111.3	L140	L140-Y142 PolarHBondContact O-N 2.91Å
143	S	35.5	Very low	41.3	Very low	68 Å²	68	91 Å²	91	48%	0.476	55%	0.553	S	S	.	*			trans	-71.6	123.8	154.2	166.1	0	0	0	0	106.9	P141 T145	P141-S143 PolarHBondContact O-N 2.85Å; S143-T145 PolarHBondContact O-N 2.97Å; S143-T145 WeakPolarHBondContact OG-CB 3.04Å; S143-T145 PolarHBondContact OG-N 3.11Å; S143-T145 PolarHBondContact OG-OG1 3.44Å
144	S	36.9	Very low	43	Very low	129 Å²	129	88.6 Å²	88.6	90%	0.902	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-2.9	173.5	47.7	0	0	0	0	114
145	T	32.1	Very low	44.9	Very low	115 Å²	115	87.8 Å²	87.8	71%	0.706	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-5.4	-166	-23.6	0	0	0	0	113.7	S143	S143-T145 PolarHBondContact O-N 2.97Å; S143-T145 WeakPolarHBondContact OG-CB 3.04Å; S143-T145 PolarHBondContact OG-N 3.11Å; S143-T145 PolarHBondContact OG-OG1 3.44Å
146	S	28.6	Very low	46.9	Very low	63 Å²	63	85.1 Å²	85.1	44%	0.441	52%	0.524	S	S	.	.			trans	-89.9	111.5	175.3	-112.2	0	0	0	0	112.1	A148 F149	S146-A148 PolarHBondContact O-N 2.77Å; S146-F149 PolarHBondContact O-N 2.86Å
147	L	35	Very low	49.1	Very low	186 Å²	186	80.8 Å²	80.8	97%	0.974	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-8.3	172.1	-74.5	167.2	0	0	0	114.2
148	A	33.8	Very low	51.5	Low	87 Å²	87	81.2 Å²	81.2	72%	0.719	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.8	-178.8	0	0	0	0	0	114.5	S146	S146-A148 PolarHBondContact O-N 2.77Å
149	F	41.3	Very low	54	Low	110 Å²	110	80.7 Å²	80.7	48%	0.482	48%	0.478	S	S	.	.	S	Bend	trans	-105.3	137.8	-174.8	-62.6	-65.8	0	0	0	113.2	P141 S146	P141-F149 HydrophobicContact CB-CZ 4.07Å; S146-F149 PolarHBondContact O-N 2.86Å
150	S	48.9	Very low	56.7	Low	48 Å²	48	75.8 Å²	75.8	34%	0.336	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-61.3	127.7	171.8	-65.8	0	0	0	0	109.3	I154 I156	S150-I154 WeakPolarHBondContact CB-O 3.44Å; S150-I156 WeakPolarHBondContact OG-CD1 3.14Å; S150-I156 WeakPolarHBondContact OG-CG1 3.42Å
151	P	55.4	Low	59.3	Low	66 Å²	66	73 Å²	73	43%	0.429	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-64.7	151.5	-176.3	19.4	-25.7	0	0	0	111	G153 I154 R332	P151-G153 PolarHBondContact O-N 2.9Å; P151-I154 HydrophobicContact CG-CD1 3.64Å; P151-I154 HydrophobicContact CG-CG1 4.02Å; P151-I154 WeakPolarHBondContact O-CB 3.42Å; P151-I154 WeakPolarHBondContact O-CG1 3.1Å; P151-I154 PolarHBondContact O-N 2.8Å; P151-R332 VanDerWaalsContact CB-NH2 3.31Å; P151-R332 PolarHBondContact O-NH1 2.79Å
152	P	61.1	Low	62.1	Low	82 Å²	82	71.4 Å²	71.4	53%	0.532	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	118.7	-160.8	-31.5	34.7	0	0	0	114.6	R332	P152-R332 WeakPolarHBondContact O-CD 3.49Å; P152-R332 PolarHBondContact O-NE 3.45Å; P152-R332 PolarHBondContact O-NH1 2.86Å
153	G	68.5	Low	64.6	Low	23 Å²	23	65 Å²	65	24%	0.237	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-4.7	-179.5	0	0	0	0	0	115.7	P151 P287	P151-G153 PolarHBondContact O-N 2.9Å; G153-P287 VanDerWaalsContact O-CD 3.27Å; G153-P287 WeakPolarHBondContact O-CD 3.48Å; G153-P287 WeakPolarHBondContact O-CG 3.43Å
154	I	79	Confident	67.3	Low	42 Å²	42	61.8 Å²	61.8	22%	0.215	37%	0.372	C	S	.	.			trans	-75.4	130.4	160.1	-55.7	-159.6	0	0	0	107.5	S150 P151 I156 I284 L285 T286 R332	S150-I154 WeakPolarHBondContact CB-O 3.44Å; P151-I154 HydrophobicContact CG-CD1 3.64Å; P151-I154 HydrophobicContact CG-CG1 4.02Å; P151-I154 WeakPolarHBondContact O-CB 3.42Å; P151-I154 WeakPolarHBondContact O-CG1 3.1Å; P151-I154 PolarHBondContact O-N 2.8Å; I154-I156 HydrophobicContact CG2-CG1 4.44Å; I154-I284 HydrophobicContact CG2-CG2 3.66Å; I154-L285 WeakPolarHBondContact CA-O 3.49Å; I154-T286 HydrophobicContact CD1-CG2 4.17Å; I154-T286 HydrophobicContact CG1-CG2 4.31Å; I154-T286 HydrophobicContact CG2-CG2 4.47Å; I154-R332 VanDerWaalsContact N-NH1 3.11Å
155	Q	82.9	Confident	69.8	Low	30 Å²	30	57 Å²	57	14%	0.14	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.3	173.3	-60.4	169.9	17.9	0	0	108.9	L193 L285	Q155-L193 VanDerWaalsContact OE1-CD2 3.31Å; Q155-L285 HydrophobicContact CB-CB 4.3Å; Q155-L285 PolarHBondContact N-O 3Å; Q155-L285 PolarHBondContact O-N 3.47Å
156	I	84.9	Confident	72.5	Confident	85 Å²	85	57 Å²	57	44%	0.436	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116	171.7	-59.1	177.2	0	0	0	107.5	S150 I154 T158 P282	S150-I156 WeakPolarHBondContact OG-CD1 3.14Å; S150-I156 WeakPolarHBondContact OG-CG1 3.42Å; I154-I156 HydrophobicContact CG2-CG1 4.44Å; I156-T158 HydrophobicContact CG2-CG2 4.45Å; I156-P282 HydrophobicContact CG2-CB 4.05Å
157	I	87.7	Confident	75.5	Confident	9 Å²	9	55 Å²	55	5%	0.046	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	114.3	-177.5	-50.7	169.4	0	0	0	108.1	E159 M160 F209 A213 L279 P282 V283 L285	I157-E159 WeakPolarHBondContact CG2-O 3.11Å; I157-M160 HydrophobicContact CG2-CG 3.48Å; I157-M160 VanDerWaalsContact CG2-CG 3.48Å; I157-M160 HydrophobicContact CG2-SD 4.08Å; I157-F209 HydrophobicContact CD1-CD2 4.2Å; I157-F209 HydrophobicContact CD1-CE2 3.3Å; I157-F209 HydrophobicContact CD1-CZ 3.57Å; I157-F209 HydrophobicContact CG1-CE2 3.73Å; I157-F209 HydrophobicContact CG1-CZ 3.96Å; I157-F209 HydrophobicContact CG2-CZ 4.24Å; I157-A213 HydrophobicContact CD1-CB 3.76Å; I157-L279 HydrophobicContact CB-CD1 4.4Å; I157-L279 HydrophobicContact CG2-CD1 3.84Å; I157-P282 CarbonylContact O-C 3.57Å; I157-P282 VanDerWaalsContact O-CA 3.28Å; I157-P282 WeakPolarHBondContact O-CA 3.46Å; I157-V283 HydrophobicContact CB-CB 4.2Å; I157-V283 HydrophobicContact CD1-CB 4.44Å; I157-V283 HydrophobicContact CD1-CG1 4.25Å; I157-V283 PolarHBondContact N-O 3.31Å; I157-V283 PolarHBondContact O-N 2.93Å; I157-L285 HydrophobicContact CD1-CD1 3.62Å; I157-L285 HydrophobicContact CD1-CG 3.75Å
158	T	87.9	Confident	78.2	Confident	74 Å²	74	52.9 Å²	52.9	45%	0.454	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-26.3	175.7	48.9	0	0	0	0	112.2	I156 L279 P282	I156-T158 HydrophobicContact CG2-CG2 4.45Å; T158-L279 PolarHBondContact O-N 3.03Å; T158-P282 HydrophobicContact CG2-CB 4.37Å; T158-P282 HydrophobicContact CG2-CG 4.44Å
159	E	90.1	Very high	81.1	Confident	88 Å²	88	51.1 Å²	51.1	41%	0.411	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.4	-179	-54.8	-169.1	176	0	0	110.1	I157 T276 T277 K278	I157-E159 WeakPolarHBondContact CG2-O 3.11Å; E159-T276 PolarHBondContact OE2-OG1 3.34Å; E159-T277 WeakPolarHBondContact CA-O 3.04Å; E159-K278 HydrophobicContact CG-CB 4.43Å; E159-K278 HydrophobicContact CG-CG 4.47Å
160	M	91.2	Very high	83.7	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.5	173.5	-68.3	-176.1	71.5	0	0	110.2	I157 T162 F164 L165 F209 A213 T276 T277 L279	I157-M160 HydrophobicContact CG2-CG 3.48Å; I157-M160 VanDerWaalsContact CG2-CG 3.48Å; I157-M160 HydrophobicContact CG2-SD 4.08Å; M160-T162 PolarHBondContact O-N 3.35Å; M160-F164 HydrophobicContact CE-CB 4.03Å; M160-L165 HydrophobicContact CB-CD1 4.39Å; M160-L165 HydrophobicContact CB-CD2 4.23Å; M160-L165 HydrophobicContact CB-CG 4.24Å; M160-L165 HydrophobicContact SD-CD2 3.8Å; M160-F209 HydrophobicContact CE-CE1 3.93Å; M160-A213 HydrophobicContact CE-CB 3.64Å; M160-A213 HydrophobicContact SD-CB 3.72Å; M160-T276 CarbonylContact O-C 3.55Å; M160-T276 WeakPolarHBondContact O-CA 3.38Å; M160-T277 PolarHBondContact N-O 3.41Å; M160-T277 PolarHBondContact O-N 2.9Å; M160-L279 HydrophobicContact CG-CD1 4.26Å; M160-L279 HydrophobicContact CG-CD2 4.47Å; M160-L279 HydrophobicContact SD-CD1 4.29Å
161	W	92.5	Very high	85.8	Confident	1 Å²	1	51.6 Å²	51.6	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	129.2	168.6	-76.1	19.6	0	0	0	110.4	I163 F164 M179 C187 D190 H191 V273 T274	W161-I163 HydrophobicContact CB-CG1 4.12Å; W161-I163 HydrophobicContact CE3-CD1 4.03Å; W161-I163 HydrophobicContact CE3-CG1 4.37Å; W161-I163 PolarHBondContact O-N 2.84Å; W161-F164 HydrophobicContact CB-CD2 3.74Å; W161-F164 HydrophobicContact CB-CE2 4.01Å; W161-F164 HydrophobicContact CB-CG 4.31Å; W161-F164 HydrophobicContact CD2-CE2 4.45Å; W161-F164 HydrophobicContact CE3-CE2 4.33Å; W161-F164 HydrophobicContact CE3-CZ 4.3Å; W161-F164 HydrophobicContact CG-CD2 4.49Å; W161-F164 HydrophobicContact CG-CE2 4.34Å; W161-F164 WeakPolarHBondContact O-CA 3.46Å; W161-F164 WeakPolarHBondContact O-CB 3.36Å; W161-F164 PolarHBondContact O-N 2.84Å; W161-M179 HydrophobicContact CE3-CE 4.45Å; W161-M179 HydrophobicContact CZ3-CE 3.88Å; W161-C187 HydrophobicContact CE3-CB 4.47Å; W161-C187 HydrophobicContact CH2-CB 3.52Å; W161-C187 HydrophobicContact CZ2-CB 3.66Å; W161-C187 HydrophobicContact CZ3-CB 3.94Å; W161-D190 WeakPolarHBondContact CZ2-OD2 3.22Å; W161-D190 PolarHBondContact NE1-OD2 2.86Å; W161-H191 AromaticContact CD1-CE1 3.3Å; W161-H191 AromaticContact CD1-NE2 3.86Å; W161-H191 AromaticContact CG-CE1 3.59Å; W161-H191 PolarHBondContact N-NE2 3.31Å; W161-H191 VanDerWaalsContact N-NE2 3.18Å; W161-H191 AromaticContact NE1-CE1 3.78Å; W161-V273 HydrophobicContact CE3-CG1 4.34Å; W161-V273 HydrophobicContact CH2-CG1 4.3Å; W161-V273 HydrophobicContact CZ3-CG1 3.65Å; W161-V273 WeakPolarHBondContact CZ3-O 3.03Å; W161-T274 HydrophobicContact CH2-CG2 4.07Å; W161-T274 HydrophobicContact CZ2-CG2 3.94Å
162	T	91.4	Very high	87.7	Confident	37 Å²	37	48.5 Å²	48.5	23%	0.227	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-36	-173.3	-53.2	0	0	0	0	111.9	M160 F164 L165 R166 T275 T277	M160-T162 PolarHBondContact O-N 3.35Å; T162-F164 PolarHBondContact O-N 3.18Å; T162-L165 PolarHBondContact O-N 2.95Å; T162-R166 PolarHBondContact O-N 3.37Å; T162-T275 WeakPolarHBondContact CB-O 3.33Å; T162-T275 PolarHBondContact N-O 3.19Å; T162-T275 PolarHBondContact OG1-O 3.44Å; T162-T277 WeakPolarHBondContact CB-OG1 3.44Å; T162-T277 WeakPolarHBondContact CG2-OG1 3.35Å; T162-T277 PolarHBondContact OG1-OG1 3.38Å
163	I	91.5	Very high	89.4	Confident	22 Å²	22	46.6 Å²	46.6	11%	0.113	24%	0.235	C	C	.	.	H	α-helix	trans	-61.3	-31.4	176.9	61.2	165.5	0	0	0	113	W161 L165 D167 C172 R175	W161-I163 HydrophobicContact CB-CG1 4.12Å; W161-I163 HydrophobicContact CE3-CD1 4.03Å; W161-I163 HydrophobicContact CE3-CG1 4.37Å; W161-I163 PolarHBondContact O-N 2.84Å; I163-L165 VanDerWaalsContact C-N 3.27Å; I163-L165 PolarHBondContact O-N 2.77Å; I163-D167 PolarHBondContact O-N 3.38Å; I163-C172 PolarHBondContact O-SG 2.95Å; I163-C172 VanDerWaalsContact O-SG 3.38Å; I163-R175 VanDerWaalsContact CG2-NH1 3.32Å
164	F	93.5	Very high	90.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-80.2	-5.8	177.2	-60.9	-29.7	0	0	0	113	M160 W161 T162 C172 I176 M179 C187 H191 L206 V210 R214	M160-F164 HydrophobicContact CE-CB 4.03Å; W161-F164 HydrophobicContact CB-CD2 3.74Å; W161-F164 HydrophobicContact CB-CE2 4.01Å; W161-F164 HydrophobicContact CB-CG 4.31Å; W161-F164 HydrophobicContact CD2-CE2 4.45Å; W161-F164 HydrophobicContact CE3-CE2 4.33Å; W161-F164 HydrophobicContact CE3-CZ 4.3Å; W161-F164 HydrophobicContact CG-CD2 4.49Å; W161-F164 HydrophobicContact CG-CE2 4.34Å; W161-F164 WeakPolarHBondContact O-CA 3.46Å; W161-F164 WeakPolarHBondContact O-CB 3.36Å; W161-F164 PolarHBondContact O-N 2.84Å; T162-F164 PolarHBondContact O-N 3.18Å; F164-C172 HydrophobicContact CD1-CB 4.11Å; F164-I176 HydrophobicContact CE1-CD1 3.93Å; F164-I176 HydrophobicContact CE1-CG1 3.97Å; F164-I176 HydrophobicContact CZ-CD1 4.22Å; F164-I176 HydrophobicContact CZ-CG1 4.18Å; F164-M179 HydrophobicContact CE1-CE 4.45Å; F164-M179 HydrophobicContact CZ-CE 4.13Å; F164-C187 WeakPolarHBondContact CE2-SG 3.41Å; F164-H191 AromaticContact CD2-NE2 3.97Å; F164-H191 AromaticContact CE2-CE1 3.81Å; F164-L206 HydrophobicContact CE2-CD1 4.08Å; F164-L206 HydrophobicContact CZ-CD1 4.3Å; F164-L206 HydrophobicContact CZ-CD2 4.15Å; F164-L206 HydrophobicContact CZ-CG 4.33Å; F164-V210 HydrophobicContact CB-CG1 4.04Å; F164-V210 HydrophobicContact CB-CG2 4.13Å; F164-V210 HydrophobicContact CD1-CG1 4.29Å; F164-V210 HydrophobicContact CD1-CG2 3.83Å; F164-V210 HydrophobicContact CD2-CG2 3.6Å; F164-V210 HydrophobicContact CE1-CG2 4.09Å; F164-V210 HydrophobicContact CE2-CG2 3.86Å; F164-V210 HydrophobicContact CG-CG1 4.22Å; F164-V210 HydrophobicContact CG-CG2 3.6Å; F164-V210 HydrophobicContact CZ-CG2 4.1Å; F164-R214 PolarHBondContact O-NE 3.22Å; F164-R214 PolarHBondContact O-NH2 3.09Å
165	L	89.1	Confident	91.5	Very high	29 Å²	29	51.4 Å²	51.4	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-101.2	-41.9	170.3	-58.9	176.9	0	0	0	111	M160 T162 I163 T277 L279	M160-L165 HydrophobicContact CB-CD1 4.39Å; M160-L165 HydrophobicContact CB-CD2 4.23Å; M160-L165 HydrophobicContact CB-CG 4.24Å; M160-L165 HydrophobicContact SD-CD2 3.8Å; T162-L165 PolarHBondContact O-N 2.95Å; I163-L165 VanDerWaalsContact C-N 3.27Å; I163-L165 PolarHBondContact O-N 2.77Å; L165-T277 HydrophobicContact CD1-CG2 3.79Å; L165-L279 HydrophobicContact CD1-CD2 3.66Å; L165-L279 HydrophobicContact CD2-CD2 3.85Å; L165-L279 HydrophobicContact CG-CD2 4.4Å
166	R	87.8	Confident	92.1	Very high	114 Å²	114	50 Å²	50	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-79.9	-46	-171.5	-172.1	-171.7	68.7	-168.4	-1	114.8	T162	T162-R166 PolarHBondContact O-N 3.37Å
167	D	91.3	Very high	92.6	Very high	21 Å²	21	49.7 Å²	49.7	11%	0.112	25%	0.246	C	C	.	.	S	Bend	trans	-83.2	163.5	-166.9	-67.6	10.3	0	0	0	111.3	I163 H171 R175 R214	I163-D167 PolarHBondContact O-N 3.38Å; D167-H171 HydrophobicContact CB-CB 4.23Å; D167-R175 IonicContact OD2-CZ 2.89Å; D167-R175 IonicContact OD2-NH1 3.1Å; D167-R175 PolarHBondContact OD2-NH1 2.96Å; D167-R175 IonicContact OD2-NH2 2.67Å; D167-R175 PolarHBondContact OD2-NH2 3.36Å; D167-R214 PolarHBondContact O-NH1 3.35Å; D167-R214 PolarHBondContact O-NH2 2.79Å
168	R	93	Very high	93	Very high	143 Å²	143	55.5 Å²	55.5	54%	0.54	28%	0.277	S	S	.	.			trans	-61.5	148.2	171.7	-80.8	-179.5	147.7	160.7	-1	111.4	S170 H171 C172 E250	R168-S170 PolarHBondContact O-N 2.9Å; R168-H171 WeakPolarHBondContact O-CA 3.18Å; R168-H171 WeakPolarHBondContact O-CB 3.32Å; R168-H171 PolarHBondContact O-N 3.17Å; R168-C172 PolarHBondContact O-N 3.37Å; R168-C172 PolarHBondContact O-SG 2.93Å; R168-C172 VanDerWaalsContact O-SG 3.4Å; R168-E250 IonicContact CZ-OE2 3.77Å; R168-E250 IonicContact NE-OE1 2.66Å; R168-E250 PolarHBondContact NE-OE1 3.46Å; R168-E250 IonicContact NE-OE2 3.12Å; R168-E250 PolarHBondContact NE-OE2 2.86Å; R168-E250 IonicContact NH2-OE2 3.71Å; R168-E250 PolarHBondContact NH2-OE2 2.86Å
169	L	93.8	Very high	93.3	Very high	50 Å²	50	53 Å²	53	26%	0.262	26%	0.26	S	S	.	.	H	α-helix	trans	-59.6	-35.6	-178.1	-178.4	64.4	0	0	0	111.6	H171 C172 N173 V210 R211 R214	L169-H171 VanDerWaalsContact C-N 3.34Å; L169-H171 PolarHBondContact O-N 2.85Å; L169-C172 PolarHBondContact O-N 3.46Å; L169-N173 WeakPolarHBondContact O-CB 3.46Å; L169-N173 PolarHBondContact O-N 2.85Å; L169-N173 PolarHBondContact O-ND2 3.24Å; L169-V210 HydrophobicContact CD1-CG1 3.89Å; L169-R211 HydrophobicContact CD1-CB 4.46Å; L169-R211 HydrophobicContact CD2-CB 4.29Å; L169-R211 HydrophobicContact CD2-CG 3.96Å; L169-R214 VanDerWaalsContact N-NH1 3.14Å
170	S	95.5	Very high	93.3	Very high	65 Å²	65	51.4 Å²	51.4	46%	0.455	26%	0.259	S	S	.	.	H	α-helix	trans	-60.2	-40.3	172.5	55.2	0	0	0	0	112.8	R168 N173 S174	R168-S170 PolarHBondContact O-N 2.9Å; S170-N173 PolarHBondContact O-N 3.21Å; S170-S174 WeakPolarHBondContact O-CB 3.26Å; S170-S174 PolarHBondContact O-N 3.44Å
171	H	94.8	Very high	93.3	Very high	103 Å²	103	54.6 Å²	54.6	48%	0.477	28%	0.276	S	S	.	.	H	α-helix	trans	-69.6	-41.3	176	-64.7	-177	0	0	0	111.4	D167 R168 L169 N173 S174 R175	D167-H171 HydrophobicContact CB-CB 4.23Å; R168-H171 WeakPolarHBondContact O-CA 3.18Å; R168-H171 WeakPolarHBondContact O-CB 3.32Å; R168-H171 PolarHBondContact O-N 3.17Å; L169-H171 VanDerWaalsContact C-N 3.34Å; L169-H171 PolarHBondContact O-N 2.85Å; H171-N173 VanDerWaalsContact C-N 3.34Å; H171-N173 PolarHBondContact O-N 3.39Å; H171-S174 PolarHBondContact O-N 3.43Å; H171-R175 WeakPolarHBondContact O-CG 3.29Å; H171-R175 PolarHBondContact O-N 2.75Å
172	C	95.3	Very high	93	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-47	172.8	-59.2	0	0	0	0	111	I163 F164 R168 L169 S174 R175 I176 V210 R214	I163-C172 PolarHBondContact O-SG 2.95Å; I163-C172 VanDerWaalsContact O-SG 3.38Å; F164-C172 HydrophobicContact CD1-CB 4.11Å; R168-C172 PolarHBondContact O-N 3.37Å; R168-C172 PolarHBondContact O-SG 2.93Å; R168-C172 VanDerWaalsContact O-SG 3.4Å; L169-C172 PolarHBondContact O-N 3.46Å; C172-S174 PolarHBondContact O-N 3.13Å; C172-R175 PolarHBondContact O-N 2.89Å; C172-I176 VanDerWaalsContact O-CG1 3.28Å; C172-I176 WeakPolarHBondContact O-CG1 3.24Å; C172-I176 PolarHBondContact O-N 2.59Å; C172-V210 HydrophobicContact CB-CG1 4.44Å; C172-R214 PolarHBondContact SG-NH2 3.42Å
173	N	96.1	Very high	92.9	Very high	42 Å²	42	60.7 Å²	60.7	23%	0.225	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-43.7	177.5	-71.8	-23.7	0	0	0	112.1	L169 S170 H171 I176 N177 Q207	L169-N173 WeakPolarHBondContact O-CB 3.46Å; L169-N173 PolarHBondContact O-N 2.85Å; L169-N173 PolarHBondContact O-ND2 3.24Å; S170-N173 PolarHBondContact O-N 3.21Å; H171-N173 VanDerWaalsContact C-N 3.34Å; H171-N173 PolarHBondContact O-N 3.39Å; N173-I176 PolarHBondContact O-N 3.48Å; N173-N177 WeakPolarHBondContact O-CB 3.3Å; N173-N177 VanDerWaalsContact O-CG 3.28Å; N173-N177 PolarHBondContact O-N 3.28Å; N173-N177 PolarHBondContact O-ND2 3.47Å; N173-Q207 PolarHBondContact O-NE2 3.1Å; N173-Q207 WeakPolarHBondContact OD1-CG 3.46Å
174	S	96	Very high	92.9	Very high	62 Å²	62	59.6 Å²	59.6	43%	0.434	30%	0.302	S	S	.	.	H	α-helix	trans	-59.8	-45.1	175	-177.8	0	0	0	0	111.6	S170 H171 C172 N177 N178	S170-S174 WeakPolarHBondContact O-CB 3.26Å; S170-S174 PolarHBondContact O-N 3.44Å; H171-S174 PolarHBondContact O-N 3.43Å; C172-S174 PolarHBondContact O-N 3.13Å; S174-N177 PolarHBondContact O-N 3.33Å; S174-N178 PolarHBondContact O-N 2.96Å; S174-N178 PolarHBondContact O-ND2 2.85Å; S174-N178 VanDerWaalsContact O-ND2 3.1Å
175	R	95	Very high	92.7	Very high	103 Å²	103	61.3 Å²	61.3	39%	0.389	31%	0.308	S	S	.	.	H	α-helix	trans	-62.1	-47.7	175.4	-75.7	-171	179.7	149.3	15.5	112.6	I163 D167 H171 C172 N177 N178 M179	I163-R175 VanDerWaalsContact CG2-NH1 3.32Å; D167-R175 IonicContact OD2-CZ 2.89Å; D167-R175 IonicContact OD2-NH1 3.1Å; D167-R175 PolarHBondContact OD2-NH1 2.96Å; D167-R175 IonicContact OD2-NH2 2.67Å; D167-R175 PolarHBondContact OD2-NH2 3.36Å; H171-R175 WeakPolarHBondContact O-CG 3.29Å; H171-R175 PolarHBondContact O-N 2.75Å; C172-R175 PolarHBondContact O-N 2.89Å; R175-N177 VanDerWaalsContact C-N 3.25Å; R175-N177 PolarHBondContact O-N 2.59Å; R175-N178 CarbonylContact O-C 3.6Å; R175-N178 PolarHBondContact O-N 3.04Å; R175-M179 WeakPolarHBondContact O-CG 3.2Å; R175-M179 PolarHBondContact O-N 3.39Å
176	I	96.2	Very high	92.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-40.3	177.9	-66.4	161.9	0	0	0	110.7	F164 C172 N173 N178 M179 L184 K203 L206 Q207 V210	F164-I176 HydrophobicContact CE1-CD1 3.93Å; F164-I176 HydrophobicContact CE1-CG1 3.97Å; F164-I176 HydrophobicContact CZ-CD1 4.22Å; F164-I176 HydrophobicContact CZ-CG1 4.18Å; C172-I176 VanDerWaalsContact O-CG1 3.28Å; C172-I176 WeakPolarHBondContact O-CG1 3.24Å; C172-I176 PolarHBondContact O-N 2.59Å; N173-I176 PolarHBondContact O-N 3.48Å; I176-N178 PolarHBondContact O-N 3.19Å; I176-M179 HydrophobicContact CG1-CE 4.14Å; I176-M179 HydrophobicContact CG1-SD 4.43Å; I176-M179 PolarHBondContact O-N 2.93Å; I176-L184 HydrophobicContact CG2-CD1 4.31Å; I176-K203 HydrophobicContact CG2-CB 4.16Å; I176-K203 HydrophobicContact CG2-CG 4.24Å; I176-L206 HydrophobicContact CD1-CD2 4.23Å; I176-L206 HydrophobicContact CD1-CG 3.93Å; I176-L206 HydrophobicContact CG1-CD2 3.91Å; I176-L206 HydrophobicContact CG1-CG 4.19Å; I176-L206 HydrophobicContact CG2-CB 4.32Å; I176-L206 HydrophobicContact CG2-CD2 4.06Å; I176-L206 HydrophobicContact CG2-CG 4.4Å; I176-Q207 HydrophobicContact CB-CG 4.12Å; I176-Q207 HydrophobicContact CD1-CG 3.79Å; I176-Q207 HydrophobicContact CG2-CG 3.85Å; I176-V210 HydrophobicContact CD1-CG2 4.34Å
177	N	95.8	Very high	92.7	Very high	80 Å²	80	55.8 Å²	55.8	43%	0.428	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-29.3	176.3	-76.1	-24.7	0	0	0	113.2	N173 S174 R175 K203 Q207	N173-N177 WeakPolarHBondContact O-CB 3.3Å; N173-N177 VanDerWaalsContact O-CG 3.28Å; N173-N177 PolarHBondContact O-N 3.28Å; N173-N177 PolarHBondContact O-ND2 3.47Å; S174-N177 PolarHBondContact O-N 3.33Å; R175-N177 VanDerWaalsContact C-N 3.25Å; R175-N177 PolarHBondContact O-N 2.59Å; N177-K203 VanDerWaalsContact O-CE 3.32Å; N177-K203 WeakPolarHBondContact O-CE 3.32Å; N177-K203 PolarHBondContact O-NZ 2.88Å; N177-Q207 PolarHBondContact OD1-NE2 3.46Å
178	N	95.3	Very high	92.7	Very high	130 Å²	130	54.8 Å²	54.8	70%	0.695	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	2.2	-178.3	-64.5	-34.5	0	0	0	113.9	S174 R175 I176	S174-N178 PolarHBondContact O-N 2.96Å; S174-N178 PolarHBondContact O-ND2 2.85Å; S174-N178 VanDerWaalsContact O-ND2 3.1Å; R175-N178 CarbonylContact O-C 3.6Å; R175-N178 PolarHBondContact O-N 3.04Å; I176-N178 PolarHBondContact O-N 3.19Å
179	M	93.2	Very high	92.3	Very high	21 Å²	21	52.7 Å²	52.7	10%	0.103	28%	0.275	C	S	.	.			trans	-66.3	138.5	174.9	-73.1	179.2	179.9	0	0	110.9	W161 F164 R175 I176 N183 L184 L206	W161-M179 HydrophobicContact CE3-CE 4.45Å; W161-M179 HydrophobicContact CZ3-CE 3.88Å; F164-M179 HydrophobicContact CE1-CE 4.45Å; F164-M179 HydrophobicContact CZ-CE 4.13Å; R175-M179 WeakPolarHBondContact O-CG 3.2Å; R175-M179 PolarHBondContact O-N 3.39Å; I176-M179 HydrophobicContact CG1-CE 4.14Å; I176-M179 HydrophobicContact CG1-SD 4.43Å; I176-M179 PolarHBondContact O-N 2.93Å; M179-N183 HydrophobicContact CB-CB 4.36Å; M179-L184 HydrophobicContact CB-CB 4.26Å; M179-L184 HydrophobicContact SD-CD1 4.38Å; M179-L206 HydrophobicContact SD-CD2 4.14Å
180	S	92	Very high	91.8	Very high	56 Å²	56	53.4 Å²	53.4	39%	0.392	28%	0.28	S	S	.	.			trans	-61.6	157.7	162.8	64.7	0	0	0	0	110	D182 N183 L184	S180-D182 PolarHBondContact O-N 3.36Å; S180-N183 PolarHBondContact O-N 3.04Å; S180-N183 WeakPolarHBondContact OG-CB 3.26Å; S180-N183 PolarHBondContact OG-N 2.58Å; S180-N183 PolarHBondContact OG-ND2 2.93Å; S180-L184 WeakPolarHBondContact O-CB 3.44Å; S180-L184 PolarHBondContact O-N 3.13Å
181	L	89.6	Confident	91.4	Very high	67 Å²	67	51 Å²	51	35%	0.351	26%	0.261	S	S	.	.	H	α-helix	trans	-57.5	-38.4	179	-176.8	60.7	0	0	0	111.9	L184 R185 L202	L181-L184 PolarHBondContact O-N 3.46Å; L181-R185 HydrophobicContact CD1-CG 4.43Å; L181-R185 WeakPolarHBondContact O-CB 3.44Å; L181-R185 WeakPolarHBondContact O-CG 3.44Å; L181-R185 PolarHBondContact O-N 2.8Å; L181-L202 HydrophobicContact CD1-CD1 3.96Å
182	D	86.9	Confident	90.9	Very high	88 Å²	88	51.5 Å²	51.5	47%	0.471	27%	0.267	S	S	.	.	H	α-helix	trans	-66.6	-44.2	178.9	-62.8	-35.5	0	0	0	112.4	I122 S180 L184 R185 T186	I122-D182 HydrophobicContact CD1-CB 4.2Å; S180-D182 PolarHBondContact O-N 3.36Å; D182-L184 VanDerWaalsContact C-N 3.32Å; D182-L184 PolarHBondContact O-N 3.41Å; D182-R185 PolarHBondContact O-N 3.41Å; D182-T186 WeakPolarHBondContact O-CB 3.36Å; D182-T186 PolarHBondContact O-N 3.46Å; D182-T186 PolarHBondContact O-OG1 3.05Å
183	N	89.6	Confident	90.6	Very high	77 Å²	77	51.7 Å²	51.7	41%	0.412	27%	0.268	S	S	.	.	H	α-helix	trans	-65.8	-38.2	176.5	-75.1	-15.1	0	0	0	111.1	M179 S180 C187	M179-N183 HydrophobicContact CB-CB 4.36Å; S180-N183 PolarHBondContact O-N 3.04Å; S180-N183 WeakPolarHBondContact OG-CB 3.26Å; S180-N183 PolarHBondContact OG-N 2.58Å; S180-N183 PolarHBondContact OG-ND2 2.93Å; N183-C187 VanDerWaalsContact O-CB 3.22Å; N183-C187 WeakPolarHBondContact O-CB 3.42Å; N183-C187 PolarHBondContact O-N 3.44Å
184	L	91.7	Very high	90.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-46.3	177.1	-179	61.8	0	0	0	111.6	I176 M179 S180 L181 D182 C187 L188 T199 L202 K203 L206	I176-L184 HydrophobicContact CG2-CD1 4.31Å; M179-L184 HydrophobicContact CB-CB 4.26Å; M179-L184 HydrophobicContact SD-CD1 4.38Å; S180-L184 WeakPolarHBondContact O-CB 3.44Å; S180-L184 PolarHBondContact O-N 3.13Å; L181-L184 PolarHBondContact O-N 3.46Å; D182-L184 VanDerWaalsContact C-N 3.32Å; D182-L184 PolarHBondContact O-N 3.41Å; L184-C187 PolarHBondContact O-N 2.72Å; L184-L188 HydrophobicContact CG-CD1 4.28Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.33Å; L184-L188 PolarHBondContact O-N 3.4Å; L184-T199 HydrophobicContact CD2-CG2 4.41Å; L184-L202 HydrophobicContact CD2-CB 3.46Å; L184-L202 VanDerWaalsContact CD2-CB 3.46Å; L184-L202 HydrophobicContact CD2-CD1 4.35Å; L184-L202 HydrophobicContact CG-CB 4.02Å; L184-K203 HydrophobicContact CD1-CG 4.39Å; L184-K203 HydrophobicContact CD2-CG 3.69Å; L184-L206 HydrophobicContact CD1-CB 4.28Å; L184-L206 HydrophobicContact CD1-CD2 3.63Å
185	R	89	Confident	89.8	Confident	36 Å²	36	47.8 Å²	47.8	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-42.1	177.1	-76.5	-177.3	172.8	179.2	0.1	112.5	I122 L181 D182 C187 L188 Y189 L202	I122-R185 HydrophobicContact CD1-CB 4.07Å; L181-R185 HydrophobicContact CD1-CG 4.43Å; L181-R185 WeakPolarHBondContact O-CB 3.44Å; L181-R185 WeakPolarHBondContact O-CG 3.44Å; L181-R185 PolarHBondContact O-N 2.8Å; D182-R185 PolarHBondContact O-N 3.41Å; R185-C187 VanDerWaalsContact C-N 3.32Å; R185-C187 PolarHBondContact O-N 3.19Å; R185-L188 PolarHBondContact O-N 3.34Å; R185-Y189 PolarHBondContact O-N 3.04Å; R185-L202 HydrophobicContact CG-CD1 4.22Å
186	T	86.2	Confident	89.6	Confident	27 Å²	27	43.1 Å²	43.1	17%	0.166	23%	0.225	C	C	.	.	H	α-helix	trans	-58.7	-46.9	173.3	-55.8	0	0	0	0	110.4	D182 L188 Y189 D190	D182-T186 WeakPolarHBondContact O-CB 3.36Å; D182-T186 PolarHBondContact O-N 3.46Å; D182-T186 PolarHBondContact O-OG1 3.05Å; T186-L188 PolarHBondContact O-N 3.06Å; T186-Y189 WeakPolarHBondContact O-CB 3.33Å; T186-Y189 PolarHBondContact O-N 3.43Å; T186-D190 PolarHBondContact O-N 3.08Å
187	C	90.8	Very high	89.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-41.7	177.9	-166.2	0	0	0	0	112.6	W161 F164 N183 L184 R185 D190 H191 L206	W161-C187 HydrophobicContact CE3-CB 4.47Å; W161-C187 HydrophobicContact CH2-CB 3.52Å; W161-C187 HydrophobicContact CZ2-CB 3.66Å; W161-C187 HydrophobicContact CZ3-CB 3.94Å; F164-C187 WeakPolarHBondContact CE2-SG 3.41Å; N183-C187 VanDerWaalsContact O-CB 3.22Å; N183-C187 WeakPolarHBondContact O-CB 3.42Å; N183-C187 PolarHBondContact O-N 3.44Å; L184-C187 PolarHBondContact O-N 2.72Å; R185-C187 VanDerWaalsContact C-N 3.32Å; R185-C187 PolarHBondContact O-N 3.19Å; C187-D190 PolarHBondContact O-N 2.87Å; C187-H191 PolarHBondContact O-N 3.15Å; C187-H191 PolarHBondContact O-ND1 3.22Å; C187-L206 HydrophobicContact CB-CD2 4.05Å
188	L	90.3	Very high	89.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-43.7	175.2	-73.4	166.1	0	0	0	111.4	L184 R185 T186 H191 N192 L193 Q195 L202 R205 L206	L184-L188 HydrophobicContact CG-CD1 4.28Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.33Å; L184-L188 PolarHBondContact O-N 3.4Å; R185-L188 PolarHBondContact O-N 3.34Å; T186-L188 PolarHBondContact O-N 3.06Å; L188-H191 CarbonylContact O-C 3.5Å; L188-H191 PolarHBondContact O-N 3.26Å; L188-N192 PolarHBondContact O-N 2.82Å; L188-L193 HydrophobicContact CB-CB 4.12Å; L188-L193 HydrophobicContact CD2-CB 3.6Å; L188-L193 HydrophobicContact CD2-CD1 3.67Å; L188-L193 HydrophobicContact CD2-CG 4.3Å; L188-L193 HydrophobicContact CG-CB 4.48Å; L188-L193 WeakPolarHBondContact O-CB 3.44Å; L188-L193 PolarHBondContact O-N 3.28Å; L188-Q195 HydrophobicContact CB-CG 3.77Å; L188-Q195 HydrophobicContact CD1-CG 4.3Å; L188-L202 HydrophobicContact CD1-CB 3.88Å; L188-L202 HydrophobicContact CD1-CD1 4.28Å; L188-L202 HydrophobicContact CD1-CD2 3.74Å; L188-L202 HydrophobicContact CD1-CG 4.15Å; L188-R205 HydrophobicContact CD2-CG 4.15Å; L188-L206 HydrophobicContact CD2-CB 4.02Å
189	Y	85.2	Confident	89.3	Confident	98 Å²	98	38.7 Å²	38.7	38%	0.384	21%	0.207	S	C	.	.	H	α-helix	trans	-58.8	-50.7	175.2	171	-123.9	0	0	0	112.7	G113 P114 R185 T186 H191 N192	G113-Y189 WeakPolarHBondContact O-CB 3.45Å; G113-Y189 WeakPolarHBondContact O-CD2 3.48Å; G113-Y189 WeakPolarHBondContact O-CE2 3.16Å; P114-Y189 VanDerWaalsContact CD-CD2 3.48Å; P114-Y189 HydrophobicContact CG-CD1 3.94Å; P114-Y189 HydrophobicContact CG-CE1 4.09Å; P114-Y189 HydrophobicContact CG-CG 4.28Å; R185-Y189 PolarHBondContact O-N 3.04Å; T186-Y189 WeakPolarHBondContact O-CB 3.33Å; T186-Y189 PolarHBondContact O-N 3.43Å; Y189-H191 PolarHBondContact O-N 2.84Å; Y189-N192 PolarHBondContact O-N 2.86Å
190	D	84.5	Confident	89.5	Confident	66 Å²	66	40.5 Å²	40.5	35%	0.353	22%	0.22	S	C	.	.	H	α-helix	trans	-57.9	-22.9	-176.9	-65.9	-10.5	0	0	0	112	W161 T186 C187	W161-D190 WeakPolarHBondContact CZ2-OD2 3.22Å; W161-D190 PolarHBondContact NE1-OD2 2.86Å; T186-D190 PolarHBondContact O-N 3.08Å; C187-D190 PolarHBondContact O-N 2.87Å
191	H	87	Confident	89.7	Confident	15 Å²	15	37.9 Å²	37.9	7%	0.069	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	15.7	177.1	-59.3	90	0	0	0	113.5	W161 F164 C187 L188 Y189 L193 F209	W161-H191 AromaticContact CD1-CE1 3.3Å; W161-H191 AromaticContact CD1-NE2 3.86Å; W161-H191 AromaticContact CG-CE1 3.59Å; W161-H191 PolarHBondContact N-NE2 3.31Å; W161-H191 VanDerWaalsContact N-NE2 3.18Å; W161-H191 AromaticContact NE1-CE1 3.78Å; F164-H191 AromaticContact CD2-NE2 3.97Å; F164-H191 AromaticContact CE2-CE1 3.81Å; C187-H191 PolarHBondContact O-N 3.15Å; C187-H191 PolarHBondContact O-ND1 3.22Å; L188-H191 CarbonylContact O-C 3.5Å; L188-H191 PolarHBondContact O-N 3.26Å; Y189-H191 PolarHBondContact O-N 2.84Å; H191-L193 VanDerWaalsContact C-N 3.25Å; H191-L193 HydrophobicContact CB-CD1 4.11Å; H191-L193 HydrophobicContact CB-CG 4.13Å; H191-L193 PolarHBondContact O-N 2.76Å; H191-F209 HydrophobicContact CB-CE1 3.83Å; H191-F209 HydrophobicContact CB-CE2 4.38Å; H191-F209 HydrophobicContact CB-CZ 3.73Å; H191-F209 AromaticContact CD2-CE1 3.37Å; H191-F209 WeakPolarHBondContact CD2-CE1 3.37Å; H191-F209 AromaticContact CD2-CZ 3.61Å; H191-F209 AromaticContact CG-CE1 3.67Å; H191-F209 AromaticContact CG-CZ 3.92Å
192	N	84	Confident	90	Very high	113 Å²	113	34.7 Å²	34.7	60%	0.604	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	36.3	-179.4	-65.9	-47.6	0	0	0	114.2	L188 Y189	L188-N192 PolarHBondContact O-N 2.82Å; Y189-N192 PolarHBondContact O-N 2.86Å
193	L	88.1	Confident	90.5	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.026	17%	0.172	C	C	.	.			trans	-97.4	144.7	178.9	-60.7	173.7	0	0	0	111.2	Q155 L188 H191 Q195 L206 F209	Q155-L193 VanDerWaalsContact OE1-CD2 3.31Å; L188-L193 HydrophobicContact CB-CB 4.12Å; L188-L193 HydrophobicContact CD2-CB 3.6Å; L188-L193 HydrophobicContact CD2-CD1 3.67Å; L188-L193 HydrophobicContact CD2-CG 4.3Å; L188-L193 HydrophobicContact CG-CB 4.48Å; L188-L193 WeakPolarHBondContact O-CB 3.44Å; L188-L193 PolarHBondContact O-N 3.28Å; H191-L193 VanDerWaalsContact C-N 3.25Å; H191-L193 HydrophobicContact CB-CD1 4.11Å; H191-L193 HydrophobicContact CB-CG 4.13Å; H191-L193 PolarHBondContact O-N 2.76Å; L193-Q195 PolarHBondContact O-N 2.89Å; L193-L206 HydrophobicContact CD1-CD1 4.13Å; L193-F209 HydrophobicContact CD1-CB 3.79Å; L193-F209 HydrophobicContact CD1-CD1 3.99Å; L193-F209 HydrophobicContact CD1-CD2 3.96Å; L193-F209 HydrophobicContact CD1-CG 3.65Å; L193-F209 HydrophobicContact CD2-CB 4.5Å; L193-F209 HydrophobicContact CD2-CD2 3.83Å; L193-F209 HydrophobicContact CD2-CE2 4.34Å; L193-F209 HydrophobicContact CD2-CG 4.31Å; L193-F209 HydrophobicContact CG-CD2 4.33Å; L193-F209 HydrophobicContact CG-CG 4.49Å
194	N	87.8	Confident	90.8	Very high	22 Å²	22	30.3 Å²	30.3	12%	0.118	16%	0.157	C	C	.	.			trans	-57.4	131.6	175.8	-170.4	-0.1	0	0	0	110.7	D109 Y111 L196 R205	D109-N194 PolarHBondContact O-ND2 2.94Å; Y111-N194 PolarHBondContact N-OD1 2.83Å; N194-L196 PolarHBondContact OD1-N 3.48Å; N194-R205 VanDerWaalsContact O-CD 3.29Å; N194-R205 WeakPolarHBondContact O-CD 3.3Å; N194-R205 PolarHBondContact O-NH1 3.29Å
195	Q	88.8	Confident	91.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.			trans	-100.1	3	-179.7	-74.3	164.1	66.6	0	0	113.9	Y111 G113 L188 L193 L202	Y111-Q195 HydrophobicContact CD1-CB 4.01Å; Y111-Q195 WeakPolarHBondContact O-CB 3.37Å; Y111-Q195 PolarHBondContact O-N 2.68Å; G113-Q195 PolarHBondContact O-NE2 2.93Å; L188-Q195 HydrophobicContact CB-CG 3.77Å; L188-Q195 HydrophobicContact CD1-CG 4.3Å; L193-Q195 PolarHBondContact O-N 2.89Å; Q195-L202 WeakPolarHBondContact O-CD2 3.3Å
196	L	89.5	Confident	91.4	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	15%	0.151	C	C	.	.			trans	-74.6	143.4	173.1	-64.7	-177.3	0	0	0	112.3	S108 D109 L125 N194 L202 R205 L453 L455	S108-L196 WeakPolarHBondContact O-CD1 3.42Å; D109-L196 VanDerWaalsContact C-CD1 3.43Å; D109-L196 WeakPolarHBondContact O-CD1 3.36Å; L125-L196 HydrophobicContact CD1-CD2 4.21Å; L125-L196 HydrophobicContact CD2-CD2 3.51Å; L125-L196 HydrophobicContact CG-CD2 4.44Å; N194-L196 PolarHBondContact OD1-N 3.48Å; L196-L202 VanDerWaalsContact O-CD2 3.27Å; L196-L202 WeakPolarHBondContact O-CD2 3.44Å; L196-R205 PolarHBondContact O-NH1 3.17Å; L196-L453 CarbonylContact C-O 3.53Å; L196-L453 WeakPolarHBondContact CB-O 3.5Å; L196-L455 HydrophobicContact CD1-CD2 4.32Å
197	G	92	Very high	91.9	Very high	16 Å²	16	27.8 Å²	27.8	17%	0.165	15%	0.145	C	C	.	.	S	Bend	trans	118.6	169.1	175.8	0	0	0	0	0	114.1	D452 L453	G197-D452 CarbonylContact C-O 3.54Å; G197-D452 WeakPolarHBondContact CA-O 3.34Å; G197-L453 VanDerWaalsContact CA-C 3.43Å; G197-L453 WeakPolarHBondContact CA-O 3.39Å; G197-L453 PolarHBondContact N-O 2.97Å
198	N	94.3	Very high	92.2	Very high	43 Å²	43	28.5 Å²	28.5	23%	0.23	15%	0.148	C	C	.	.			trans	-70.7	166.7	176.6	76.3	27	0	0	0	111.1	T200 V201 L202 D452	N198-T200 PolarHBondContact O-N 3.35Å; N198-T200 VanDerWaalsContact O-N 3.12Å; N198-T200 WeakPolarHBondContact OD1-CA 3.3Å; N198-T200 VanDerWaalsContact OD1-CB 3.3Å; N198-T200 WeakPolarHBondContact OD1-CB 3.23Å; N198-T200 PolarHBondContact OD1-N 3.25Å; N198-V201 PolarHBondContact O-N 2.88Å; N198-V201 VanDerWaalsContact O-N 3.13Å; N198-V201 PolarHBondContact OD1-N 2.84Å; N198-L202 WeakPolarHBondContact O-CG 3.19Å; N198-L202 PolarHBondContact O-N 3.28Å; N198-D452 PolarHBondContact N-O 2.9Å; N198-D452 PolarHBondContact ND2-OD1 3.06Å
199	T	95	Very high	92.4	Very high	58 Å²	58	28.7 Å²	28.7	36%	0.356	15%	0.149	S	C	.	.	H	α-helix	trans	-56.8	-32.9	-176.8	-51.5	0	0	0	0	113.6	L184 K203	L184-T199 HydrophobicContact CD2-CG2 4.41Å; T199-K203 HydrophobicContact CG2-CD 4.05Å; T199-K203 HydrophobicContact CG2-CG 4.43Å; T199-K203 WeakPolarHBondContact O-CB 3.46Å; T199-K203 VanDerWaalsContact O-CG 3.25Å; T199-K203 WeakPolarHBondContact O-CG 3.49Å; T199-K203 PolarHBondContact O-N 2.74Å
200	T	96.5	Very high	92.9	Very high	60 Å²	60	24 Å²	24	37%	0.368	13%	0.131	S	C	.	.	H	α-helix	trans	-66	-47.9	178.1	-57	0	0	0	0	111.1	N198 K203 R204 Y436 F438	N198-T200 PolarHBondContact O-N 3.35Å; N198-T200 VanDerWaalsContact O-N 3.12Å; N198-T200 WeakPolarHBondContact OD1-CA 3.3Å; N198-T200 VanDerWaalsContact OD1-CB 3.3Å; N198-T200 WeakPolarHBondContact OD1-CB 3.23Å; N198-T200 PolarHBondContact OD1-N 3.25Å; T200-K203 PolarHBondContact O-N 3.13Å; T200-R204 WeakPolarHBondContact O-CB 3.49Å; T200-R204 VanDerWaalsContact O-CG 3.29Å; T200-R204 WeakPolarHBondContact O-CG 3.37Å; T200-R204 PolarHBondContact O-N 3.21Å; T200-Y436 WeakPolarHBondContact CG2-O 3.43Å; T200-F438 HydrophobicContact CG2-CD1 4.34Å; T200-F438 HydrophobicContact CG2-CE1 3.89Å; T200-F438 HydrophobicContact CG2-CZ 4Å
201	V	96.8	Very high	93.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-50.8	176.7	167.8	0	0	0	0	110.5	N198 K203 R204 R205 Y436 F438 D452 L453	N198-V201 PolarHBondContact O-N 2.88Å; N198-V201 VanDerWaalsContact O-N 3.13Å; N198-V201 PolarHBondContact OD1-N 2.84Å; V201-K203 PolarHBondContact O-N 2.85Å; V201-R204 PolarHBondContact O-N 2.99Å; V201-R205 WeakPolarHBondContact O-CB 3.42Å; V201-R205 PolarHBondContact O-N 3Å; V201-Y436 HydrophobicContact CB-CD1 4.33Å; V201-Y436 HydrophobicContact CB-CE1 4.23Å; V201-Y436 HydrophobicContact CG1-CD1 4.4Å; V201-Y436 HydrophobicContact CG1-CE1 3.8Å; V201-Y436 HydrophobicContact CG2-CD1 4.08Å; V201-Y436 HydrophobicContact CG2-CD2 4.33Å; V201-Y436 HydrophobicContact CG2-CE1 4.2Å; V201-Y436 HydrophobicContact CG2-CE2 4.41Å; V201-Y436 HydrophobicContact CG2-CG 4.16Å; V201-F438 HydrophobicContact CG2-CZ 4.34Å; V201-D452 HydrophobicContact CG2-CB 4.36Å; V201-D452 WeakPolarHBondContact CG2-O 3.33Å; V201-L453 HydrophobicContact CG1-CD2 3.79Å; V201-L453 HydrophobicContact CG2-CD2 4.21Å
202	L	95.6	Very high	93.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-43.7	-178.9	-63.8	-171.2	0	0	0	112.5	L181 L184 R185 L188 Q195 L196 N198 L206	L181-L202 HydrophobicContact CD1-CD1 3.96Å; L184-L202 HydrophobicContact CD2-CB 3.46Å; L184-L202 VanDerWaalsContact CD2-CB 3.46Å; L184-L202 HydrophobicContact CD2-CD1 4.35Å; L184-L202 HydrophobicContact CG-CB 4.02Å; R185-L202 HydrophobicContact CG-CD1 4.22Å; L188-L202 HydrophobicContact CD1-CB 3.88Å; L188-L202 HydrophobicContact CD1-CD1 4.28Å; L188-L202 HydrophobicContact CD1-CD2 3.74Å; L188-L202 HydrophobicContact CD1-CG 4.15Å; Q195-L202 WeakPolarHBondContact O-CD2 3.3Å; L196-L202 VanDerWaalsContact O-CD2 3.27Å; L196-L202 WeakPolarHBondContact O-CD2 3.44Å; N198-L202 WeakPolarHBondContact O-CG 3.19Å; N198-L202 PolarHBondContact O-N 3.28Å; L202-L206 PolarHBondContact O-N 3.27Å; L202-L206 VanDerWaalsContact O-N 3.13Å
203	K	97.5	Very high	94.2	Very high	45 Å²	45	20.8 Å²	20.8	20%	0.196	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-46.7	177.1	-76.6	174.3	177.4	179.5	0	111.4	I176 N177 L184 T199 T200 V201 L206 Q207	I176-K203 HydrophobicContact CG2-CB 4.16Å; I176-K203 HydrophobicContact CG2-CG 4.24Å; N177-K203 VanDerWaalsContact O-CE 3.32Å; N177-K203 WeakPolarHBondContact O-CE 3.32Å; N177-K203 PolarHBondContact O-NZ 2.88Å; L184-K203 HydrophobicContact CD1-CG 4.39Å; L184-K203 HydrophobicContact CD2-CG 3.69Å; T199-K203 HydrophobicContact CG2-CD 4.05Å; T199-K203 HydrophobicContact CG2-CG 4.43Å; T199-K203 WeakPolarHBondContact O-CB 3.46Å; T199-K203 VanDerWaalsContact O-CG 3.25Å; T199-K203 WeakPolarHBondContact O-CG 3.49Å; T199-K203 PolarHBondContact O-N 2.74Å; T200-K203 PolarHBondContact O-N 3.13Å; V201-K203 PolarHBondContact O-N 2.85Å; K203-L206 PolarHBondContact O-N 3.24Å; K203-Q207 WeakPolarHBondContact O-CB 3.38Å; K203-Q207 WeakPolarHBondContact O-CG 3.37Å; K203-Q207 PolarHBondContact O-N 3.06Å
204	R	97.1	Very high	94.3	Very high	28 Å²	28	22.7 Å²	22.7	11%	0.106	11%	0.111	C	C	.	.	H	α-helix	trans	-67.9	-39.4	-178.2	-71.1	-64	-54.5	139.7	7.8	112.2	T200 V201 Q207 E208 F435 Y436 K437	T200-R204 WeakPolarHBondContact O-CB 3.49Å; T200-R204 VanDerWaalsContact O-CG 3.29Å; T200-R204 WeakPolarHBondContact O-CG 3.37Å; T200-R204 PolarHBondContact O-N 3.21Å; V201-R204 PolarHBondContact O-N 2.99Å; R204-Q207 PolarHBondContact O-N 3.14Å; R204-E208 WeakPolarHBondContact O-CB 3.45Å; R204-E208 PolarHBondContact O-N 3.04Å; R204-F435 PolarHBondContact NE-O 2.76Å; R204-F435 VanDerWaalsContact NE-O 3.1Å; R204-F435 PolarHBondContact NH2-O 3.44Å; R204-Y436 HydrophobicContact CB-CD1 3.79Å; R204-Y436 HydrophobicContact CB-CE1 4.49Å; R204-Y436 HydrophobicContact CG-CD1 4.42Å; R204-Y436 WeakPolarHBondContact CG-O 3.48Å; R204-K437 VanDerWaalsContact NH1-NZ 3.18Å
205	R	96.3	Very high	94.4	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.011	13%	0.125	C	C	.	.	H	α-helix	trans	-55.1	-51.4	172	177.6	177.7	-67.1	139.8	10.2	111.1	L188 N194 L196 V201 E208 F209 D481	L188-R205 HydrophobicContact CD2-CG 4.15Å; N194-R205 VanDerWaalsContact O-CD 3.29Å; N194-R205 WeakPolarHBondContact O-CD 3.3Å; N194-R205 PolarHBondContact O-NH1 3.29Å; L196-R205 PolarHBondContact O-NH1 3.17Å; V201-R205 WeakPolarHBondContact O-CB 3.42Å; V201-R205 PolarHBondContact O-N 3Å; R205-E208 PolarHBondContact O-N 3.03Å; R205-F209 WeakPolarHBondContact O-CB 3.33Å; R205-F209 PolarHBondContact O-N 3.25Å; R205-D481 IonicContact CZ-OD1 2.61Å; R205-D481 IonicContact CZ-OD2 3.87Å; R205-D481 IonicContact NE-OD1 2.96Å; R205-D481 PolarHBondContact NE-OD1 3.05Å; R205-D481 IonicContact NE-OD2 3.57Å; R205-D481 PolarHBondContact NE-OD2 3.29Å; R205-D481 VanDerWaalsContact NE-OD2 3.07Å; R205-D481 IonicContact NH2-OD1 3Å; R205-D481 PolarHBondContact NH2-OD1 2.99Å; R205-D481 IonicContact NH2-OD2 3.07Å; R205-D481 PolarHBondContact NH2-OD2 3.26Å
206	L	96	Very high	94.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-41.5	179.1	-176.1	58.7	0	0	0	112.6	F164 I176 M179 L184 C187 L188 L193 L202 K203 E208 F209 V210	F164-L206 HydrophobicContact CE2-CD1 4.08Å; F164-L206 HydrophobicContact CZ-CD1 4.3Å; F164-L206 HydrophobicContact CZ-CD2 4.15Å; F164-L206 HydrophobicContact CZ-CG 4.33Å; I176-L206 HydrophobicContact CD1-CD2 4.23Å; I176-L206 HydrophobicContact CD1-CG 3.93Å; I176-L206 HydrophobicContact CG1-CD2 3.91Å; I176-L206 HydrophobicContact CG1-CG 4.19Å; I176-L206 HydrophobicContact CG2-CB 4.32Å; I176-L206 HydrophobicContact CG2-CD2 4.06Å; I176-L206 HydrophobicContact CG2-CG 4.4Å; M179-L206 HydrophobicContact SD-CD2 4.14Å; L184-L206 HydrophobicContact CD1-CB 4.28Å; L184-L206 HydrophobicContact CD1-CD2 3.63Å; C187-L206 HydrophobicContact CB-CD2 4.05Å; L188-L206 HydrophobicContact CD2-CB 4.02Å; L193-L206 HydrophobicContact CD1-CD1 4.13Å; L202-L206 PolarHBondContact O-N 3.27Å; L202-L206 VanDerWaalsContact O-N 3.13Å; K203-L206 PolarHBondContact O-N 3.24Å; L206-E208 VanDerWaalsContact C-N 3.32Å; L206-E208 PolarHBondContact O-N 2.65Å; L206-F209 HydrophobicContact CD1-CD1 4.24Å; L206-F209 PolarHBondContact O-N 2.69Å; L206-V210 HydrophobicContact CD1-CG2 4.44Å; L206-V210 WeakPolarHBondContact O-CG2 3.42Å; L206-V210 PolarHBondContact O-N 3.13Å
207	Q	97.3	Very high	94	Very high	7 Å²	7	27.3 Å²	27.3	3%	0.033	14%	0.14	C	C	.	.	H	α-helix	trans	-60.7	-42.8	176.3	-73.7	171.1	-6.7	0	0	112	N173 I176 N177 K203 R204 V210 R211	N173-Q207 PolarHBondContact O-NE2 3.1Å; N173-Q207 WeakPolarHBondContact OD1-CG 3.46Å; I176-Q207 HydrophobicContact CB-CG 4.12Å; I176-Q207 HydrophobicContact CD1-CG 3.79Å; I176-Q207 HydrophobicContact CG2-CG 3.85Å; N177-Q207 PolarHBondContact OD1-NE2 3.46Å; K203-Q207 WeakPolarHBondContact O-CB 3.38Å; K203-Q207 WeakPolarHBondContact O-CG 3.37Å; K203-Q207 PolarHBondContact O-N 3.06Å; R204-Q207 PolarHBondContact O-N 3.14Å; Q207-V210 PolarHBondContact O-N 3.45Å; Q207-R211 WeakPolarHBondContact O-CB 3.48Å; Q207-R211 PolarHBondContact O-N 2.97Å
208	E	96	Very high	93.5	Very high	16 Å²	16	28 Å²	28	8%	0.075	14%	0.143	C	C	.	.	H	α-helix	trans	-70.5	-39.7	-179.6	-171.2	57.2	-154.6	0	0	111.9	R204 R205 L206 R211 R212 F435 D481	R204-E208 WeakPolarHBondContact O-CB 3.45Å; R204-E208 PolarHBondContact O-N 3.04Å; R205-E208 PolarHBondContact O-N 3.03Å; L206-E208 VanDerWaalsContact C-N 3.32Å; L206-E208 PolarHBondContact O-N 2.65Å; E208-R211 VanDerWaalsContact CD-NE 3.33Å; E208-R211 PolarHBondContact O-N 2.98Å; E208-R211 IonicContact OE1-CZ 2.91Å; E208-R211 IonicContact OE1-NE 2.92Å; E208-R211 PolarHBondContact OE1-NE 2.81Å; E208-R211 IonicContact OE1-NH2 2.73Å; E208-R211 PolarHBondContact OE1-NH2 2.94Å; E208-R211 IonicContact OE2-NE 3.2Å; E208-R211 PolarHBondContact OE2-NE 3.03Å; E208-R211 VanDerWaalsContact OE2-NE 3.1Å; E208-R212 HydrophobicContact CG-CG 4.46Å; E208-R212 WeakPolarHBondContact O-CB 3.37Å; E208-R212 WeakPolarHBondContact O-CG 3.3Å; E208-R212 PolarHBondContact O-N 2.98Å; E208-F435 HydrophobicContact CB-CZ 4.31Å; E208-F435 HydrophobicContact CG-CE2 3.94Å; E208-F435 HydrophobicContact CG-CZ 3.99Å; E208-D481 VanDerWaalsContact CG-O 3.25Å; E208-D481 WeakPolarHBondContact CG-O 2.97Å
209	F	95.4	Very high	92.3	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-54.3	-53	169.9	168.8	-98.1	0	0	0	111.7	I157 M160 H191 L193 R205 L206 R211 R212 A213 L285	I157-F209 HydrophobicContact CD1-CD2 4.2Å; I157-F209 HydrophobicContact CD1-CE2 3.3Å; I157-F209 HydrophobicContact CD1-CZ 3.57Å; I157-F209 HydrophobicContact CG1-CE2 3.73Å; I157-F209 HydrophobicContact CG1-CZ 3.96Å; I157-F209 HydrophobicContact CG2-CZ 4.24Å; M160-F209 HydrophobicContact CE-CE1 3.93Å; H191-F209 HydrophobicContact CB-CE1 3.83Å; H191-F209 HydrophobicContact CB-CE2 4.38Å; H191-F209 HydrophobicContact CB-CZ 3.73Å; H191-F209 AromaticContact CD2-CE1 3.37Å; H191-F209 WeakPolarHBondContact CD2-CE1 3.37Å; H191-F209 AromaticContact CD2-CZ 3.61Å; H191-F209 AromaticContact CG-CE1 3.67Å; H191-F209 AromaticContact CG-CZ 3.92Å; L193-F209 HydrophobicContact CD1-CB 3.79Å; L193-F209 HydrophobicContact CD1-CD1 3.99Å; L193-F209 HydrophobicContact CD1-CD2 3.96Å; L193-F209 HydrophobicContact CD1-CG 3.65Å; L193-F209 HydrophobicContact CD2-CB 4.5Å; L193-F209 HydrophobicContact CD2-CD2 3.83Å; L193-F209 HydrophobicContact CD2-CE2 4.34Å; L193-F209 HydrophobicContact CD2-CG 4.31Å; L193-F209 HydrophobicContact CG-CD2 4.33Å; L193-F209 HydrophobicContact CG-CG 4.49Å; R205-F209 WeakPolarHBondContact O-CB 3.33Å; R205-F209 PolarHBondContact O-N 3.25Å; L206-F209 HydrophobicContact CD1-CD1 4.24Å; L206-F209 PolarHBondContact O-N 2.69Å; F209-R211 VanDerWaalsContact C-N 3.32Å; F209-R211 PolarHBondContact O-N 3.19Å; F209-R212 PolarHBondContact O-N 3.49Å; F209-A213 WeakPolarHBondContact O-CB 3.21Å; F209-A213 PolarHBondContact O-N 3.45Å; F209-L285 HydrophobicContact CD2-CD1 4Å; F209-L285 HydrophobicContact CE2-CD1 4.3Å
210	V	95.9	Very high	90.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.9	-42.1	179.8	173.7	0	0	0	0	111.2	F164 L169 C172 I176 L206 Q207 R214	F164-V210 HydrophobicContact CB-CG1 4.04Å; F164-V210 HydrophobicContact CB-CG2 4.13Å; F164-V210 HydrophobicContact CD1-CG1 4.29Å; F164-V210 HydrophobicContact CD1-CG2 3.83Å; F164-V210 HydrophobicContact CD2-CG2 3.6Å; F164-V210 HydrophobicContact CE1-CG2 4.09Å; F164-V210 HydrophobicContact CE2-CG2 3.86Å; F164-V210 HydrophobicContact CG-CG1 4.22Å; F164-V210 HydrophobicContact CG-CG2 3.6Å; F164-V210 HydrophobicContact CZ-CG2 4.1Å; L169-V210 HydrophobicContact CD1-CG1 3.89Å; C172-V210 HydrophobicContact CB-CG1 4.44Å; I176-V210 HydrophobicContact CD1-CG2 4.34Å; L206-V210 HydrophobicContact CD1-CG2 4.44Å; L206-V210 WeakPolarHBondContact O-CG2 3.42Å; L206-V210 PolarHBondContact O-N 3.13Å; Q207-V210 PolarHBondContact O-N 3.45Å; V210-R214 WeakPolarHBondContact O-CG 3.35Å; V210-R214 PolarHBondContact O-N 3.28Å; V210-R214 VanDerWaalsContact O-N 3.12Å
211	R	95.4	Very high	88.7	Confident	96 Å²	96	32.7 Å²	32.7	36%	0.362	16%	0.16	S	C	.	.	H	α-helix	trans	-60.4	-50.7	176.7	-172.7	-163.5	74.5	72.6	-1.5	111.3	L169 Q207 E208 F209 R214 V215	L169-R211 HydrophobicContact CD1-CB 4.46Å; L169-R211 HydrophobicContact CD2-CB 4.29Å; L169-R211 HydrophobicContact CD2-CG 3.96Å; Q207-R211 WeakPolarHBondContact O-CB 3.48Å; Q207-R211 PolarHBondContact O-N 2.97Å; E208-R211 VanDerWaalsContact CD-NE 3.33Å; E208-R211 PolarHBondContact O-N 2.98Å; E208-R211 IonicContact OE1-CZ 2.91Å; E208-R211 IonicContact OE1-NE 2.92Å; E208-R211 PolarHBondContact OE1-NE 2.81Å; E208-R211 IonicContact OE1-NH2 2.73Å; E208-R211 PolarHBondContact OE1-NH2 2.94Å; E208-R211 IonicContact OE2-NE 3.2Å; E208-R211 PolarHBondContact OE2-NE 3.03Å; E208-R211 VanDerWaalsContact OE2-NE 3.1Å; F209-R211 VanDerWaalsContact C-N 3.32Å; F209-R211 PolarHBondContact O-N 3.19Å; R211-R214 PolarHBondContact O-N 3.31Å; R211-V215 WeakPolarHBondContact O-CG2 3.48Å; R211-V215 PolarHBondContact O-N 3.44Å
212	R	94	Very high	86.6	Confident	30 Å²	30	37.1 Å²	37.1	11%	0.113	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-44	-178.2	-73.8	170.9	65.3	-159.3	2.5	111.8	E208 F209 R214 V215 A216 L285 T286 S480	E208-R212 HydrophobicContact CG-CG 4.46Å; E208-R212 WeakPolarHBondContact O-CB 3.37Å; E208-R212 WeakPolarHBondContact O-CG 3.3Å; E208-R212 PolarHBondContact O-N 2.98Å; F209-R212 PolarHBondContact O-N 3.49Å; R212-R214 VanDerWaalsContact C-N 3.34Å; R212-R214 PolarHBondContact O-N 2.97Å; R212-V215 PolarHBondContact O-N 3.04Å; R212-A216 WeakPolarHBondContact O-CB 3.28Å; R212-A216 PolarHBondContact O-N 3.47Å; R212-L285 HydrophobicContact CB-CD1 3.83Å; R212-L285 HydrophobicContact CB-CD2 3.94Å; R212-T286 PolarHBondContact NH2-O 3.2Å; R212-S480 PolarHBondContact NH1-O 2.88Å
213	A	92.7	Very high	84.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-44.2	177	0	0	0	0	0	112	I157 M160 F209 A216 Q217	I157-A213 HydrophobicContact CD1-CB 3.76Å; M160-A213 HydrophobicContact CE-CB 3.64Å; M160-A213 HydrophobicContact SD-CB 3.72Å; F209-A213 WeakPolarHBondContact O-CB 3.21Å; F209-A213 PolarHBondContact O-N 3.45Å; A213-A216 PolarHBondContact O-N 2.87Å; A213-Q217 WeakPolarHBondContact O-CG 3.38Å; A213-Q217 PolarHBondContact O-N 2.86Å; A213-Q217 VanDerWaalsContact O-N 3.14Å
214	R	91.1	Very high	81.3	Confident	45 Å²	45	43.5 Å²	43.5	17%	0.17	23%	0.234	C	C	.	.	H	α-helix	trans	-67.4	-41.2	177	-74.1	-178.9	176.5	-150	-3.3	113.7	F164 D167 L169 C172 V210 R211 R212 A216 Q217 S218	F164-R214 PolarHBondContact O-NE 3.22Å; F164-R214 PolarHBondContact O-NH2 3.09Å; D167-R214 PolarHBondContact O-NH1 3.35Å; D167-R214 PolarHBondContact O-NH2 2.79Å; L169-R214 VanDerWaalsContact N-NH1 3.14Å; C172-R214 PolarHBondContact SG-NH2 3.42Å; V210-R214 WeakPolarHBondContact O-CG 3.35Å; V210-R214 PolarHBondContact O-N 3.28Å; V210-R214 VanDerWaalsContact O-N 3.12Å; R211-R214 PolarHBondContact O-N 3.31Å; R212-R214 VanDerWaalsContact C-N 3.34Å; R212-R214 PolarHBondContact O-N 2.97Å; R214-A216 VanDerWaalsContact C-N 3.33Å; R214-Q217 PolarHBondContact O-N 3.18Å; R214-S218 PolarHBondContact O-N 2.86Å
215	V	88.9	Confident	78.6	Confident	66 Å²	66	48.6 Å²	48.6	40%	0.4	26%	0.262	S	S	.	.	H	α-helix	trans	-62.2	-44.1	177.5	169.9	0	0	0	0	110.3	R211 R212 Q217 S218 I219	R211-V215 WeakPolarHBondContact O-CG2 3.48Å; R211-V215 PolarHBondContact O-N 3.44Å; R212-V215 PolarHBondContact O-N 3.04Å; V215-Q217 PolarHBondContact O-N 2.8Å; V215-S218 PolarHBondContact O-N 2.78Å; V215-I219 HydrophobicContact CG1-CD1 4Å; V215-I219 WeakPolarHBondContact O-CG1 3.43Å; V215-I219 PolarHBondContact O-N 3.34Å; V215-I219 VanDerWaalsContact O-N 3.14Å
216	A	86.8	Confident	75.6	Confident	24 Å²	24	56.8 Å²	56.8	20%	0.198	30%	0.3	C	S	.	.	H	α-helix	trans	-60.4	-44.7	177	0	0	0	0	0	112.2	R212 A213 R214 S218 I219 D220 V283 L285	R212-A216 WeakPolarHBondContact O-CB 3.28Å; R212-A216 PolarHBondContact O-N 3.47Å; A213-A216 PolarHBondContact O-N 2.87Å; R214-A216 VanDerWaalsContact C-N 3.33Å; A216-S218 VanDerWaalsContact C-N 3.3Å; A216-S218 PolarHBondContact O-N 3.15Å; A216-I219 PolarHBondContact O-N 2.81Å; A216-D220 PolarHBondContact O-N 3.24Å; A216-V283 HydrophobicContact CB-CG1 3.55Å; A216-L285 HydrophobicContact CB-CD2 4.26Å
217	Q	84.1	Confident	72.5	Confident	32 Å²	32	63.9 Å²	63.9	15%	0.15	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-36.2	175.8	-70.1	176.2	9.7	0	0	113.2	A213 R214 V215 H221 L279 V283	A213-Q217 WeakPolarHBondContact O-CG 3.38Å; A213-Q217 PolarHBondContact O-N 2.86Å; A213-Q217 VanDerWaalsContact O-N 3.14Å; R214-Q217 PolarHBondContact O-N 3.18Å; V215-Q217 PolarHBondContact O-N 2.8Å; Q217-H221 PolarHBondContact O-N 3.17Å; Q217-H221 PolarHBondContact O-ND1 2.87Å; Q217-L279 VanDerWaalsContact NE2-CD2 3.34Å; Q217-V283 HydrophobicContact CG-CG2 3.51Å
218	S	81.1	Confident	69.5	Low	32 Å²	32	68.7 Å²	68.7	22%	0.224	37%	0.371	C	S	.	.	H	α-helix	trans	-71.1	-33.3	179.9	-174.6	0	0	0	0	113	R214 V215 A216 D220 H221 N222	R214-S218 PolarHBondContact O-N 2.86Å; V215-S218 PolarHBondContact O-N 2.78Å; A216-S218 VanDerWaalsContact C-N 3.3Å; A216-S218 PolarHBondContact O-N 3.15Å; S218-D220 VanDerWaalsContact C-N 3.33Å; S218-H221 PolarHBondContact O-N 3.22Å; S218-N222 PolarHBondContact O-N 2.9Å
219	I	69.9	Low	66.5	Low	94 Å²	94	75 Å²	75	48%	0.482	41%	0.405	S	S	.	.	H	α-helix	trans	-65.4	-42.3	177.9	-68	165.4	0	0	0	109.6	V215 A216 H221 N222 I223	V215-I219 HydrophobicContact CG1-CD1 4Å; V215-I219 WeakPolarHBondContact O-CG1 3.43Å; V215-I219 PolarHBondContact O-N 3.34Å; V215-I219 VanDerWaalsContact O-N 3.14Å; A216-I219 PolarHBondContact O-N 2.81Å; I219-H221 VanDerWaalsContact C-N 3.29Å; I219-H221 PolarHBondContact O-N 2.67Å; I219-N222 PolarHBondContact O-N 2.8Å; I219-I223 HydrophobicContact CG2-CD1 4Å; I219-I223 WeakPolarHBondContact O-CG1 3.4Å; I219-I223 PolarHBondContact O-N 2.92Å
220	D	59.1	Low	63.7	Low	85 Å²	85	81.5 Å²	81.5	46%	0.455	44%	0.44	S	S	.	.	H	α-helix	trans	-62.8	-33.7	177.8	-69.5	-18.4	0	0	0	112.9	A216 S218 G224	A216-D220 PolarHBondContact O-N 3.24Å; S218-D220 VanDerWaalsContact C-N 3.33Å; D220-G224 PolarHBondContact O-N 3.26Å
221	H	56.3	Low	60.8	Low	79 Å²	79	88.6 Å²	88.6	37%	0.366	48%	0.478	S	S	.	.	H	α-helix	trans	-72.8	-32.7	178.9	-76.1	56.4	0	0	0	112.6	Q217 S218 I219 G224	Q217-H221 PolarHBondContact O-N 3.17Å; Q217-H221 PolarHBondContact O-ND1 2.87Å; S218-H221 PolarHBondContact O-N 3.22Å; I219-H221 VanDerWaalsContact C-N 3.29Å; I219-H221 PolarHBondContact O-N 2.67Å; H221-G224 PolarHBondContact O-N 2.89Å
222	N	51.5	Low	57.9	Low	93 Å²	93	87.5 Å²	87.5	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-75	-30.9	178.1	-75.7	-10.3	0	0	0	112.4	S218 I219 G224	S218-N222 PolarHBondContact O-N 2.9Å; I219-N222 PolarHBondContact O-N 2.8Å; N222-G224 VanDerWaalsContact C-N 3.3Å
223	I	47.5	Very low	55.1	Low	116 Å²	116	93.2 Å²	93.2	60%	0.595	53%	0.529	S	S	*	.	H	α-helix	trans	-70.6	-29.4	175.2	-63.1	168.8	0	0	0	110.8	I219 I225	I219-I223 HydrophobicContact CG2-CD1 4Å; I219-I223 WeakPolarHBondContact O-CG1 3.4Å; I219-I223 PolarHBondContact O-N 2.92Å; I223-I225 VanDerWaalsContact C-N 3.34Å; I223-I225 PolarHBondContact O-N 2.78Å
224	G	35.3	Very low	52.3	Low	64 Å²	64	100.7 Å²	100.7	66%	0.66	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-8.5	179.4	0	0	0	0	0	116.5	D220 H221 N222	D220-G224 PolarHBondContact O-N 3.26Å; H221-G224 PolarHBondContact O-N 2.89Å; N222-G224 VanDerWaalsContact C-N 3.3Å
225	I	40.8	Very low	49.6	Very low	135 Å²	135	104.5 Å²	104.5	69%	0.692	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-1.6	-174.7	-64.1	174.3	0	0	0	112.6	I223	I223-I225 VanDerWaalsContact C-N 3.34Å; I223-I225 PolarHBondContact O-N 2.78Å
226	Q	33.4	Very low	47.1	Very low	174 Å²	174	109.2 Å²	109.2	81%	0.813	61%	0.611	S	S	*	*	S	Bend	trans	-105.3	28.3	-177.9	-72.3	-168.4	-26.3	0	0	115.4
227	I	30.4	Very low	44.5	Very low	149 Å²	149	111.5 Å²	111.5	76%	0.764	64%	0.637	S	S	*	*			trans	-127.3	85.8	170.8	-52.6	177	0	0	0	108.6
228	S	33.1	Very low	41.8	Very low	109 Å²	109	115.9 Å²	115.9	76%	0.762	67%	0.669	S	S	*	*			trans	-146.1	101.2	156.5	58.9	0	0	0	0	106.6
229	D	34.8	Very low	39.4	Very low	148 Å²	148	119.7 Å²	119.7	79%	0.791	70%	0.696	S	S	*	*			trans	-67.3	137.9	170.9	-66	-45.2	0	0	0	110.1
230	D	35.4	Very low	37.5	Very low	141 Å²	141	126.8 Å²	126.8	75%	0.754	72%	0.719	S	S	*	*			trans	69	136.2	141.8	-102.5	-7.5	0	0	0	123.5
231	D	36.3	Very low	36.1	Very low	149 Å²	149	126.5 Å²	126.5	80%	0.797	74%	0.736	S	S	*	*			trans	83.4	114.1	151.1	-57.5	-31	0	0	0	121.1
232	G	33.8	Very low	34.8	Very low	72 Å²	72	126 Å²	126	74%	0.742	75%	0.752	S	S	*	*			trans	135.8	86.8	138	0	0	0	0	0	118
233	D	34.3	Very low	33.9	Very low	150 Å²	150	130.8 Å²	130.8	80%	0.802	77%	0.771	S	S	*	*			trans	62.8	113.4	136.6	-66.7	-18.5	0	0	0	123.7
234	E	35	Very low	32.9	Very low	158 Å²	158	133 Å²	133	74%	0.738	78%	0.784	S	S	*	*				75.7	124.3	119.8	-68	-160.9	163.3	0	0	123.7
235	N	34.5	Very low	32.7	Very low	124 Å²	124	134.4 Å²	134.4	66%	0.663	78%	0.784	S	S	*	*			trans	77.7	98.7	139.2	-69	-29.8	0	0	0	120.4
236	N	35.1	Very low	32.1	Very low	166 Å²	166	134.9 Å²	134.9	89%	0.888	79%	0.793	S	S	*	*				171.9	135.6	101.8	-99.5	-32.3	0	0	0	114.3
237	G	32.6	Very low	31.9	Very low	71 Å²	71	131.9 Å²	131.9	73%	0.732	79%	0.787	S	S	*	*				89.7	80.5	126.4	0	0	0	0	0	120.7
238	C	27.1	Very low	31.9	Very low	124 Å²	124	133 Å²	133	84%	0.838	79%	0.793	S	S	*	*				39.4	113.1	126.8	-136.4	0	0	0	0	120.9
239	S	31.4	Very low	31.6	Very low	113 Å²	113	130.2 Å²	130.2	79%	0.79	78%	0.782	S	S	*	*				148.9	139.1	108.1	-96.4	0	0	0	0	115.5
240	Y	29	Very low	31.4	Very low	242 Å²	242	128.9 Å²	128.9	95%	0.949	77%	0.771	S	S	*	*			trans	-52.7	145.4	-176.7	-92.6	-108.1	0	0	0	117.5
241	G	30.6	Very low	31.4	Very low	79 Å²	79	126.8 Å²	126.8	81%	0.814	76%	0.763	S	S	*	*			trans	179	104.2	158.6	0	0	0	0	0	111.5
242	G	28.5	Very low	31.3	Very low	69 Å²	69	125.5 Å²	125.5	71%	0.711	76%	0.756	S	S	*	*			trans	-76.2	154.4	-172.3	0	0	0	0	0	115.5
243	H	32.2	Very low	31.7	Very low	194 Å²	194	125.1 Å²	125.1	90%	0.898	74%	0.737	S	S	*	*			trans	-162.7	106.2	148.7	-106.2	-70.1	0	0	0	109.4	S245	H243-S245 PolarHBondContact O-N 2.52Å
244	D	27.5	Very low	32.1	Very low	163 Å²	163	120.2 Å²	120.2	87%	0.872	71%	0.71	S	S	*	*			trans	-77.6	109.2	167.1	-109	-27.8	0	0	0	109.1
245	S	31.7	Very low	32.3	Very low	92 Å²	92	116.8 Å²	116.8	64%	0.643	70%	0.704	S	S	*	*			trans	-147.6	106.4	155.6	85.7	0	0	0	0	108.4	H243 V247	H243-S245 PolarHBondContact O-N 2.52Å; S245-V247 PolarHBondContact O-N 3.37Å
246	T	27.7	Very low	32.5	Very low	145 Å²	145	117.3 Å²	117.3	89%	0.89	70%	0.702	S	S	*	*			trans	-74.7	75.5	175.4	-12.7	0	0	0	0	109
247	V	29.1	Very low	32.9	Very low	112 Å²	112	113.9 Å²	113.9	68%	0.679	68%	0.683	S	S	*	*			trans	-87.2	114	156.5	177.6	0	0	0	0	104.7	S245 G249	S245-V247 PolarHBondContact O-N 3.37Å; V247-G249 PolarHBondContact O-N 2.86Å
248	L	29.9	Very low	33.2	Very low	171 Å²	171	114.4 Å²	114.4	90%	0.895	67%	0.668	S	S	*	*			trans	-60.9	94.3	162.4	-81	167.8	0	0	0	106.4	E250	L248-E250 PolarHBondContact O-N 3.38Å
249	G	26.2	Very low	33.6	Very low	51 Å²	51	113 Å²	113	53%	0.526	65%	0.652	S	S	.	*			trans	-55.8	134	178.1	0	0	0	0	0	109.2	V247 V251	V247-G249 PolarHBondContact O-N 2.86Å; G249-V251 PolarHBondContact O-N 2.87Å
250	E	31.8	Very low	33.9	Very low	121 Å²	121	114.8 Å²	114.8	57%	0.565	65%	0.653	S	S	*	*			trans	-54.8	102.2	171.4	-71	-177.3	145	0	0	109.1	R168 L248 N252	R168-E250 IonicContact CZ-OE2 3.77Å; R168-E250 IonicContact NE-OE1 2.66Å; R168-E250 PolarHBondContact NE-OE1 3.46Å; R168-E250 IonicContact NE-OE2 3.12Å; R168-E250 PolarHBondContact NE-OE2 2.86Å; R168-E250 IonicContact NH2-OE2 3.71Å; R168-E250 PolarHBondContact NH2-OE2 2.86Å; L248-E250 PolarHBondContact O-N 3.38Å; E250-N252 PolarHBondContact O-N 3.08Å; E250-N252 VanDerWaalsContact O-N 3.13Å
251	V	35.4	Very low	34.4	Very low	96 Å²	96	107.7 Å²	107.7	58%	0.582	64%	0.638	S	S	*	*			trans	-69.2	111.6	169.4	-178.1	0	0	0	0	107.2	G249 L253	G249-V251 PolarHBondContact O-N 2.87Å; V251-L253 PolarHBondContact O-N 3.29Å
252	N	34.3	Very low	34.6	Very low	122 Å²	122	110.5 Å²	110.5	65%	0.652	62%	0.624	S	S	*	*			trans	-75.6	87.4	-176.7	-159.1	0.4	0	0	0	109.5	E250 N254	E250-N252 PolarHBondContact O-N 3.08Å; E250-N252 VanDerWaalsContact O-N 3.13Å; N252-N254 PolarHBondContact O-N 2.98Å; N252-N254 WeakPolarHBondContact OD1-CB 3.07Å; N252-N254 PolarHBondContact OD1-ND2 2.78Å
253	L	41	Very low	34.9	Very low	65 Å²	65	115 Å²	115	34%	0.34	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.3	7.4	175.9	-92.2	144.5	0	0	0	114.8	V251 S255	V251-L253 PolarHBondContact O-N 3.29Å; L253-S255 PolarHBondContact O-N 2.55Å
254	N	44.5	Very low	35.2	Very low	46 Å²	46	111.6 Å²	111.6	25%	0.246	62%	0.62	C	S	.	*	H	α-helix	trans	-81.7	-11.1	-169.5	-80.3	-37.8	0	0	0	115.3	N252 Q256 I258	N252-N254 PolarHBondContact O-N 2.98Å; N252-N254 WeakPolarHBondContact OD1-CB 3.07Å; N252-N254 PolarHBondContact OD1-ND2 2.78Å; N254-Q256 PolarHBondContact O-N 3.22Å; N254-I258 HydrophobicContact CB-CD1 3.85Å; N254-I258 WeakPolarHBondContact O-CB 3.12Å; N254-I258 VanDerWaalsContact O-CD1 3.23Å; N254-I258 WeakPolarHBondContact O-CD1 3.36Å; N254-I258 WeakPolarHBondContact O-CG1 3.27Å; N254-I258 PolarHBondContact O-N 3.28Å
255	S	37.8	Very low	35.5	Very low	87 Å²	87	112.9 Å²	112.9	61%	0.608	61%	0.613	S	S	*	*	H	α-helix	trans	-72.4	-31.3	-171.2	60	0	0	0	0	114.3	L253 N259	L253-S255 PolarHBondContact O-N 2.55Å; S255-N259 PolarHBondContact O-ND2 2.91Å
256	Q	39.2	Very low	35.7	Very low	134 Å²	134	117.5 Å²	117.5	63%	0.626	62%	0.624	S	S	*	*	H	α-helix	trans	-91.9	-32	-177.1	-70.8	-177.2	-7.8	0	0	113.7	N254	N254-Q256 PolarHBondContact O-N 3.22Å
257	I	43.7	Very low	35.9	Very low	94 Å²	94	121.3 Å²	121.3	48%	0.482	62%	0.622	S	S	.	*	H	α-helix	trans	-72.3	-32.2	177.1	-61.7	175.3	0	0	0	111.1	N259	I257-N259 VanDerWaalsContact C-N 3.29Å; I257-N259 PolarHBondContact O-N 2.81Å
258	I	37.7	Very low	36	Very low	82 Å²	82	122.8 Å²	122.8	42%	0.421	63%	0.625	S	S	.	*	H	α-helix	trans	-69.1	-25.3	-179.5	-69.5	174.7	0	0	0	112.4	N254 R262	N254-I258 HydrophobicContact CB-CD1 3.85Å; N254-I258 WeakPolarHBondContact O-CB 3.12Å; N254-I258 VanDerWaalsContact O-CD1 3.23Å; N254-I258 WeakPolarHBondContact O-CD1 3.36Å; N254-I258 WeakPolarHBondContact O-CG1 3.27Å; N254-I258 PolarHBondContact O-N 3.28Å; I258-R262 WeakPolarHBondContact O-CG 3.14Å
259	N	35.4	Very low	36.1	Very low	94 Å²	94	126.4 Å²	126.4	50%	0.503	63%	0.627	S	S	.	*	H	α-helix	trans	-76.8	-25.6	-177.8	-75.3	-20	0	0	0	113.7	S255 I257	S255-N259 PolarHBondContact O-ND2 2.91Å; I257-N259 VanDerWaalsContact C-N 3.29Å; I257-N259 PolarHBondContact O-N 2.81Å
260	N	39.7	Very low	36.5	Very low	152 Å²	152	131.2 Å²	131.2	81%	0.813	64%	0.64	S	S	*	*	H	α-helix	trans	-83.9	-10.9	175.7	-76.4	-6.5	0	0	0	114.1
261	C	38.5	Very low	36.8	Very low	92 Å²	92	129.3 Å²	129.3	62%	0.622	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	7.1	178.5	-68	0	0	0	0	114	N263	C261-N263 VanDerWaalsContact C-N 3.28Å; C261-N263 PolarHBondContact O-N 3.2Å
262	R	34.4	Very low	37.5	Very low	138 Å²	138	128.4 Å²	128.4	52%	0.521	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.3	-8.6	-175.1	-91.7	173.6	178	-170.6	-0.2	115.2	I258	I258-R262 WeakPolarHBondContact O-CG 3.14Å
263	N	35.6	Very low	38.6	Very low	163 Å²	163	126.5 Å²	126.5	87%	0.872	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	2.7	-178.6	-74.7	-10	0	0	0	115.7	C261	C261-N263 VanDerWaalsContact C-N 3.28Å; C261-N263 PolarHBondContact O-N 3.2Å
264	D	37.8	Very low	39.9	Very low	124 Å²	124	126.6 Å²	126.6	66%	0.663	63%	0.633	S	S	*	*			trans	-118.1	46.5	-178	-90.7	-39.5	0	0	0	113.8	H266	D264-H266 PolarHBondContact O-N 2.92Å; D264-H266 VanDerWaalsContact O-N 3.09Å
265	R	33.9	Very low	41.8	Very low	190 Å²	190	127.7 Å²	127.7	72%	0.717	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	8.4	-176.8	-71.1	-168.8	-173	-172.8	3.1	116.1
266	H	36.7	Very low	44.1	Very low	189 Å²	189	126.7 Å²	126.7	88%	0.875	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	16.3	-179.3	-78.6	-68.1	0	0	0	116.3	D264	D264-H266 PolarHBondContact O-N 2.92Å; D264-H266 VanDerWaalsContact O-N 3.09Å
267	R	31.3	Very low	46.5	Very low	225 Å²	225	122.7 Å²	122.7	85%	0.849	62%	0.616	S	S	*	*			trans	-140.3	70.8	172.9	-76.9	-175.8	177.3	-178.1	0.3	113.1
268	L	32.2	Very low	48.7	Very low	142 Å²	142	125.9 Å²	125.9	74%	0.743	63%	0.626	S	S	*	*			trans	-122.9	68.8	171.2	-83.6	151.8	0	0	0	110.5
269	R	30.2	Very low	51.1	Low	247 Å²	247	122.9 Å²	122.9	93%	0.932	61%	0.611	S	S	*	*	S	Bend	trans	-91.6	107.9	164.5	-148.6	178.3	-178.3	-170.7	-0.5	105.5
270	N	34.9	Very low	53.5	Low	152 Å²	152	126.9 Å²	126.9	81%	0.813	63%	0.627	S	S	*	*			trans	22	92.8	179.1	-75.9	-11.9	0	0	0	115	S272	N270-S272 PolarHBondContact O-N 3.4Å
271	P	37.7	Very low	55.8	Low	81 Å²	81	127.1 Å²	127.1	53%	0.526	62%	0.621	S	S	.	*			trans	-57	118.5	170	24.8	-30	0	0	0	107	V273	P271-V273 PolarHBondContact O-N 3.07Å
272	S	50.3	Low	58.2	Low	78 Å²	78	126.5 Å²	126.5	55%	0.545	62%	0.615	S	S	.	*			trans	-49.1	136.2	175.2	33.7	0	0	0	0	108.1	N270 T274 T275	N270-S272 PolarHBondContact O-N 3.4Å; S272-T274 PolarHBondContact O-N 2.86Å; S272-T275 PolarHBondContact O-N 2.93Å; S272-T275 PolarHBondContact O-OG1 2.85Å
273	V	58.2	Low	60.8	Low	81 Å²	81	120.2 Å²	120.2	49%	0.491	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.2	-12.2	-173.4	171.8	0	0	0	0	113.1	W161 P271	W161-V273 HydrophobicContact CE3-CG1 4.34Å; W161-V273 HydrophobicContact CH2-CG1 4.3Å; W161-V273 HydrophobicContact CZ3-CG1 3.65Å; W161-V273 WeakPolarHBondContact CZ3-O 3.03Å; P271-V273 PolarHBondContact O-N 3.07Å
274	T	68	Low	63.3	Low	68 Å²	68	117.5 Å²	117.5	42%	0.417	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.4	9.4	-167.8	57	0	0	0	0	115.3	W161 S272 T276	W161-T274 HydrophobicContact CH2-CG2 4.07Å; W161-T274 HydrophobicContact CZ2-CG2 3.94Å; S272-T274 PolarHBondContact O-N 2.86Å; T274-T276 PolarHBondContact O-N 3.27Å
275	T	83.7	Confident	65.8	Low	69 Å²	69	112 Å²	112	42%	0.423	55%	0.547	S	S	.	.			trans	-66.9	118.6	177.5	-48.6	0	0	0	0	111.2	T162 S272	T162-T275 WeakPolarHBondContact CB-O 3.33Å; T162-T275 PolarHBondContact N-O 3.19Å; T162-T275 PolarHBondContact OG1-O 3.44Å; S272-T275 PolarHBondContact O-N 2.93Å; S272-T275 PolarHBondContact O-OG1 2.85Å
276	T	86.7	Confident	68.4	Low	66 Å²	66	106.8 Å²	106.8	41%	0.405	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	147.4	172.1	55.5	0	0	0	0	111.4	E159 M160 T274	E159-T276 PolarHBondContact OE2-OG1 3.34Å; M160-T276 CarbonylContact O-C 3.55Å; M160-T276 WeakPolarHBondContact O-CA 3.38Å; T274-T276 PolarHBondContact O-N 3.27Å
277	T	90	Very high	70.9	Confident	49 Å²	49	98.2 Å²	98.2	30%	0.301	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129	171	-69.1	0	0	0	0	107.8	E159 M160 T162 L165	E159-T277 WeakPolarHBondContact CA-O 3.04Å; M160-T277 PolarHBondContact N-O 3.41Å; M160-T277 PolarHBondContact O-N 2.9Å; T162-T277 WeakPolarHBondContact CB-OG1 3.44Å; T162-T277 WeakPolarHBondContact CG2-OG1 3.35Å; T162-T277 PolarHBondContact OG1-OG1 3.38Å; L165-T277 HydrophobicContact CD1-CG2 3.79Å
278	K	90.3	Very high	73.7	Confident	161 Å²	161	89.3 Å²	89.3	70%	0.7	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	131.7	172.9	-170.6	175.3	-177.9	177	0	110.2	E159	E159-K278 HydrophobicContact CG-CB 4.43Å; E159-K278 HydrophobicContact CG-CG 4.47Å
279	L	88.3	Confident	76.5	Confident	20 Å²	20	86.2 Å²	86.2	11%	0.105	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	144.8	176.2	-57.2	-177.8	0	0	0	110	I157 T158 M160 L165 Q217 K281 V283	I157-L279 HydrophobicContact CB-CD1 4.4Å; I157-L279 HydrophobicContact CG2-CD1 3.84Å; T158-L279 PolarHBondContact O-N 3.03Å; M160-L279 HydrophobicContact CG-CD1 4.26Å; M160-L279 HydrophobicContact CG-CD2 4.47Å; M160-L279 HydrophobicContact SD-CD1 4.29Å; L165-L279 HydrophobicContact CD1-CD2 3.66Å; L165-L279 HydrophobicContact CD2-CD2 3.85Å; L165-L279 HydrophobicContact CG-CD2 4.4Å; Q217-L279 VanDerWaalsContact NE2-CD2 3.34Å; L279-K281 VanDerWaalsContact C-N 3.25Å; L279-K281 WeakPolarHBondContact CB-O 3.42Å; L279-K281 PolarHBondContact O-N 3.44Å; L279-V283 HydrophobicContact CD1-CB 4.36Å; L279-V283 HydrophobicContact CD1-CG2 3.85Å
280	Q	86.2	Confident	79.4	Confident	178 Å²	178	76.4 Å²	76.4	83%	0.832	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	-34.9	177.2	-70.9	-178.3	-14.6	0	0	112.3
281	K	87	Confident	82.1	Confident	157 Å²	157	69.4 Å²	69.4	68%	0.683	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.6	173.1	-67.4	-178.9	-179.8	177.2	0	109	L279	L279-K281 VanDerWaalsContact C-N 3.25Å; L279-K281 WeakPolarHBondContact CB-O 3.42Å; L279-K281 PolarHBondContact O-N 3.44Å
282	P	88	Confident	84.7	Confident	79 Å²	79	68.3 Å²	68.3	51%	0.513	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	137.6	173.3	-21.1	32.5	0	0	0	111.2	I156 I157 T158	I156-P282 HydrophobicContact CG2-CB 4.05Å; I157-P282 CarbonylContact O-C 3.57Å; I157-P282 VanDerWaalsContact O-CA 3.28Å; I157-P282 WeakPolarHBondContact O-CA 3.46Å; T158-P282 HydrophobicContact CG2-CB 4.37Å; T158-P282 HydrophobicContact CG2-CG 4.44Å
283	V	89.2	Confident	86.9	Confident	6 Å²	6	67 Å²	67	4%	0.036	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127	173.3	172.6	0	0	0	0	108.8	I157 A216 Q217 L279 L285	I157-V283 HydrophobicContact CB-CB 4.2Å; I157-V283 HydrophobicContact CD1-CB 4.44Å; I157-V283 HydrophobicContact CD1-CG1 4.25Å; I157-V283 PolarHBondContact N-O 3.31Å; I157-V283 PolarHBondContact O-N 2.93Å; A216-V283 HydrophobicContact CB-CG1 3.55Å; Q217-V283 HydrophobicContact CG-CG2 3.51Å; L279-V283 HydrophobicContact CD1-CB 4.36Å; L279-V283 HydrophobicContact CD1-CG2 3.85Å; V283-L285 HydrophobicContact CG1-CD2 3.9Å; V283-L285 HydrophobicContact CG1-CG 4.41Å
284	I	88.2	Confident	88.7	Confident	106 Å²	106	63.2 Å²	63.2	54%	0.544	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	115.8	178.9	-55.7	177.7	0	0	0	108.7	I154 T286	I154-I284 HydrophobicContact CG2-CG2 3.66Å; I284-T286 HydrophobicContact CG2-CG2 4.17Å
285	L	90	Very high	90	Very high	8 Å²	8	60 Å²	60	4%	0.042	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.3	171.7	-58.2	-171.5	0	0	0	109.9	I154 Q155 I157 F209 R212 A216 V283	I154-L285 WeakPolarHBondContact CA-O 3.49Å; Q155-L285 HydrophobicContact CB-CB 4.3Å; Q155-L285 PolarHBondContact N-O 3Å; Q155-L285 PolarHBondContact O-N 3.47Å; I157-L285 HydrophobicContact CD1-CD1 3.62Å; I157-L285 HydrophobicContact CD1-CG 3.75Å; F209-L285 HydrophobicContact CD2-CD1 4Å; F209-L285 HydrophobicContact CE2-CD1 4.3Å; R212-L285 HydrophobicContact CB-CD1 3.83Å; R212-L285 HydrophobicContact CB-CD2 3.94Å; A216-L285 HydrophobicContact CB-CD2 4.26Å; V283-L285 HydrophobicContact CG1-CD2 3.9Å; V283-L285 HydrophobicContact CG1-CG 4.41Å
286	T	88.8	Confident	90.7	Very high	80 Å²	80	56.7 Å²	56.7	49%	0.491	29%	0.291	S	S	.	.			trans	-110	146.5	173.9	56.5	0	0	0	0	110.9	I154 R212 I284	I154-T286 HydrophobicContact CD1-CG2 4.17Å; I154-T286 HydrophobicContact CG1-CG2 4.31Å; I154-T286 HydrophobicContact CG2-CG2 4.47Å; R212-T286 PolarHBondContact NH2-O 3.2Å; I284-T286 HydrophobicContact CG2-CG2 4.17Å
287	P	89.1	Confident	91.2	Very high	9 Å²	9	53.6 Å²	53.6	6%	0.058	27%	0.271	C	S	.	.			trans	-60.9	158.6	170.4	-22.5	36	0	0	0	111.4	G153 T289 L479	G153-P287 VanDerWaalsContact O-CD 3.27Å; G153-P287 WeakPolarHBondContact O-CD 3.48Å; G153-P287 WeakPolarHBondContact O-CG 3.43Å; P287-T289 PolarHBondContact O-N 3.28Å; P287-L479 HydrophobicContact CB-CB 4.22Å
288	D	90	Very high	91.5	Very high	38 Å²	38	51.9 Å²	51.9	20%	0.203	26%	0.26	C	S	.	.			trans	-68.2	125.2	178.1	-179.4	88.2	0	0	0	111.3	F290 R486	D288-F290 VanDerWaalsContact OD2-CB 3.29Å; D288-F290 WeakPolarHBondContact OD2-CB 3.43Å; D288-F290 PolarHBondContact OD2-N 3.27Å; D288-R486 IonicContact OD1-CZ 3.43Å; D288-R486 IonicContact OD1-NH1 2.67Å; D288-R486 IonicContact OD1-NH2 3.34Å; D288-R486 PolarHBondContact OD1-NH2 3.3Å; D288-R486 IonicContact OD2-CZ 3.86Å; D288-R486 IonicContact OD2-NH1 2.81Å; D288-R486 PolarHBondContact OD2-NH1 3.04Å; D288-R486 IonicContact OD2-NH2 3.64Å; D288-R486 PolarHBondContact OD2-NH2 2.81Å
289	T	91.2	Very high	91.9	Very high	77 Å²	77	44.4 Å²	44.4	47%	0.472	23%	0.228	S	C	.	.			trans	-114.9	27.4	-179.6	55.9	0	0	0	0	112.1	P287 Y291	P287-T289 PolarHBondContact O-N 3.28Å; T289-Y291 VanDerWaalsContact C-N 3.3Å; T289-Y291 PolarHBondContact O-N 3.49Å
290	F	91.3	Very high	92.3	Very high	42 Å²	42	44.4 Å²	44.4	18%	0.184	23%	0.228	C	C	.	.	S	Bend	trans	-62.9	-34.7	-175.9	176.3	-95.5	0	0	0	113.3	D288 R392 R486 Q509 S512	D288-F290 VanDerWaalsContact OD2-CB 3.29Å; D288-F290 WeakPolarHBondContact OD2-CB 3.43Å; D288-F290 PolarHBondContact OD2-N 3.27Å; F290-R392 PolarHBondContact O-NE 3.04Å; F290-R392 PolarHBondContact O-NH2 3.14Å; F290-R486 VanDerWaalsContact CB-NH2 3.28Å; F290-R486 VanDerWaalsContact CG-CZ 3.4Å; F290-Q509 VanDerWaalsContact CZ-O 3.29Å; F290-Q509 WeakPolarHBondContact CZ-O 3.43Å; F290-S512 WeakPolarHBondContact CE1-OG 3.42Å; F290-S512 WeakPolarHBondContact CZ-OG 3.46Å
291	Y	93.1	Very high	92.7	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.016	19%	0.191	C	C	.	.	S	Bend	trans	-95.4	134.6	165.7	-61.2	-68.9	0	0	0	108.3	T289 Y293 L294 T329 R392 A394 I426 L485 V487 S512	T289-Y291 VanDerWaalsContact C-N 3.3Å; T289-Y291 PolarHBondContact O-N 3.49Å; Y291-Y293 VanDerWaalsContact C-N 3.28Å; Y291-L294 HydrophobicContact CD2-CD2 3.82Å; Y291-L294 HydrophobicContact CG-CD2 4.14Å; Y291-T329 WeakPolarHBondContact O-CB 3.23Å; Y291-T329 WeakPolarHBondContact O-CG2 2.91Å; Y291-T329 PolarHBondContact O-OG1 2.91Å; Y291-R392 CarbonylContact C-O 3.47Å; Y291-R392 VanDerWaalsContact CA-O 3.32Å; Y291-R392 WeakPolarHBondContact CA-O 3.29Å; Y291-R392 WeakPolarHBondContact CB-O 3.47Å; Y291-A394 HydrophobicContact CD1-CB 3.91Å; Y291-A394 HydrophobicContact CD2-CB 4.1Å; Y291-A394 HydrophobicContact CE1-CB 3.78Å; Y291-A394 HydrophobicContact CE2-CB 3.95Å; Y291-A394 HydrophobicContact CG-CB 4.09Å; Y291-I426 HydrophobicContact CE2-CD1 3.98Å; Y291-L485 VanDerWaalsContact CE2-O 3.27Å; Y291-L485 WeakPolarHBondContact CE2-O 3.38Å; Y291-V487 PolarHBondContact OH-N 3.07Å; Y291-S512 VanDerWaalsContact CE1-OG 3.23Å; Y291-S512 WeakPolarHBondContact CE1-OG 3.44Å
292	D	91.9	Very high	93.1	Very high	58 Å²	58	28.9 Å²	28.9	31%	0.31	16%	0.159	S	C	.	.	S	Bend	trans	-62.9	-41.8	171.5	-60.8	-64.8	0	0	0	110.5	T329 K391 R392	D292-T329 PolarHBondContact O-N 2.83Å; D292-T329 VanDerWaalsContact O-N 3.08Å; D292-T329 PolarHBondContact O-OG1 2.99Å; D292-K391 HydrophobicContact CB-CB 4.39Å; D292-R392 PolarHBondContact N-O 3.29Å; D292-R392 WeakPolarHBondContact OD2-CB 3.3Å; D292-R392 PolarHBondContact OD2-N 3.17Å
293	Y	94.9	Very high	93.2	Very high	50 Å²	50	26 Å²	26	20%	0.196	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.5	-177.3	-61.4	-82.4	0	0	0	112.8	Y291 L326 Y327 V335 L388 K391 R392 C393 A394	Y291-Y293 VanDerWaalsContact C-N 3.28Å; Y293-L326 HydrophobicContact CD1-CD1 3.93Å; Y293-L326 HydrophobicContact CD1-CD2 4.41Å; Y293-L326 HydrophobicContact CD1-CG 3.95Å; Y293-L326 HydrophobicContact CG-CD1 4.03Å; Y293-Y327 CarbonylContact C-O 3.52Å; Y293-Y327 WeakPolarHBondContact CA-O 3.48Å; Y293-V335 HydrophobicContact CD1-CG2 4.22Å; Y293-V335 HydrophobicContact CE1-CG2 3.85Å; Y293-L388 HydrophobicContact CD2-CD2 3.53Å; Y293-L388 HydrophobicContact CE2-CD2 3.72Å; Y293-L388 HydrophobicContact CG-CD2 4.08Å; Y293-K391 HydrophobicContact CD2-CB 4.27Å; Y293-K391 HydrophobicContact CD2-CG 4.46Å; Y293-K391 HydrophobicContact CE2-CG 4.24Å; Y293-R392 PolarHBondContact N-O 3.46Å; Y293-C393 VanDerWaalsContact O-CA 3.3Å; Y293-C393 WeakPolarHBondContact O-CA 3.08Å; Y293-A394 PolarHBondContact O-N 3.41Å
294	L	96	Very high	93.1	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.3	166.4	-60.5	176.5	0	0	0	108.6	Y291 I296 Y327 T329 A394 V396 I426 V475 L479 L485	Y291-L294 HydrophobicContact CD2-CD2 3.82Å; Y291-L294 HydrophobicContact CG-CD2 4.14Å; L294-I296 HydrophobicContact CB-CD1 4.01Å; L294-Y327 HydrophobicContact CB-CD1 4.45Å; L294-Y327 HydrophobicContact CD1-CD1 4.22Å; L294-Y327 PolarHBondContact N-O 2.8Å; L294-Y327 PolarHBondContact O-N 2.94Å; L294-T329 HydrophobicContact CD1-CG2 4.17Å; L294-T329 HydrophobicContact CG-CG2 3.96Å; L294-A394 CarbonylContact C-O 3.57Å; L294-A394 WeakPolarHBondContact CA-O 3.5Å; L294-A394 HydrophobicContact CD2-CB 4.07Å; L294-V396 HydrophobicContact CB-CG2 4.09Å; L294-V396 HydrophobicContact CD1-CG2 4.33Å; L294-V396 HydrophobicContact CD2-CG2 4.1Å; L294-V396 HydrophobicContact CG-CG2 4.4Å; L294-I426 HydrophobicContact CD2-CD1 4.28Å; L294-V475 HydrophobicContact CD1-CG1 3.74Å; L294-L479 HydrophobicContact CD1-CD1 4.36Å; L294-L485 HydrophobicContact CD1-CD1 4.21Å
295	L	97	Very high	92.7	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	105.3	175.1	-70.9	73.8	0	0	0	107.5	I297 I324 L326 L382 C393 A394 I395 V396 M515	L295-I297 HydrophobicContact CB-CD1 4.47Å; L295-I324 HydrophobicContact CB-CG2 4.03Å; L295-I324 HydrophobicContact CD2-CG2 4.3Å; L295-I324 HydrophobicContact CG-CG2 4.23Å; L295-L326 HydrophobicContact CD1-CD1 4.22Å; L295-L326 HydrophobicContact CG-CD1 4.29Å; L295-L382 HydrophobicContact CD2-CD1 4.36Å; L295-L382 HydrophobicContact CD2-CD2 3.54Å; L295-L382 HydrophobicContact CG-CD2 4.39Å; L295-C393 HydrophobicContact CD1-CB 3.82Å; L295-A394 PolarHBondContact N-O 3.44Å; L295-I395 HydrophobicContact CB-CG1 4.44Å; L295-I395 CarbonylContact O-C 3.42Å; L295-I395 WeakPolarHBondContact O-CA 3.36Å; L295-V396 PolarHBondContact O-N 2.86Å; L295-M515 HydrophobicContact CD2-CE 3.61Å
296	I	97.8	Very high	92	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	119.2	-179.7	-42.9	-56.4	0	0	0	108.4	L294 I324 L325 V396 A468 I471 L472 V475	L294-I296 HydrophobicContact CB-CD1 4.01Å; I296-I324 WeakPolarHBondContact O-CA 3.28Å; I296-L325 HydrophobicContact CB-CB 4.01Å; I296-L325 HydrophobicContact CB-CG 4.47Å; I296-L325 HydrophobicContact CG1-CB 4.27Å; I296-L325 PolarHBondContact N-O 3.13Å; I296-L325 PolarHBondContact O-N 3.16Å; I296-V396 HydrophobicContact CD1-CB 3.71Å; I296-V396 HydrophobicContact CD1-CG1 4.36Å; I296-V396 HydrophobicContact CD1-CG2 3.84Å; I296-A468 HydrophobicContact CG2-CB 4.37Å; I296-A468 WeakPolarHBondContact CG2-O 3.35Å; I296-I471 HydrophobicContact CG2-CB 3.63Å; I296-I471 HydrophobicContact CG2-CG2 3.35Å; I296-L472 HydrophobicContact CG1-CB 4.19Å; I296-L472 HydrophobicContact CG1-CD1 4.11Å; I296-V475 HydrophobicContact CD1-CG2 4.19Å
297	I	96.8	Very high	91.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.			trans	-133.6	133.2	-172.8	-56.9	179.5	0	0	0	108.7	L295 L299 F322 I324 I395 V396 C397 M403 W421	L295-I297 HydrophobicContact CB-CD1 4.47Å; I297-L299 HydrophobicContact CG2-CD2 3.69Å; I297-L299 HydrophobicContact CG2-CG 3.89Å; I297-F322 HydrophobicContact CD1-CE1 4.2Å; I297-F322 HydrophobicContact CG2-CE1 3.99Å; I297-I324 HydrophobicContact CD1-CD1 4.45Å; I297-I324 HydrophobicContact CD1-CG1 4.24Å; I297-I324 HydrophobicContact CD1-CG2 4.42Å; I297-I324 HydrophobicContact CG1-CB 4.43Å; I297-I324 HydrophobicContact CG1-CG1 4.13Å; I297-I324 HydrophobicContact CG1-CG2 4.1Å; I297-I395 HydrophobicContact CB-CG2 4.48Å; I297-I395 HydrophobicContact CD1-CD1 4.41Å; I297-I395 HydrophobicContact CD1-CG1 4.32Å; I297-I395 HydrophobicContact CD1-CG2 3.94Å; I297-I395 HydrophobicContact CG1-CG2 4.34Å; I297-V396 PolarHBondContact N-O 3.38Å; I297-C397 PolarHBondContact O-SG 3.12Å; I297-M403 HydrophobicContact CG2-CE 4.17Å; I297-W421 HydrophobicContact CD1-CZ3 4.38Å
298	D	97.3	Very high	90.1	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.07	21%	0.21	C	C	.	.			trans	-139.5	112.4	168.9	-146	45.1	0	0	0	108.2	P323 D467 A468 I471	D298-P323 WeakPolarHBondContact O-CD 3.43Å; D298-P323 WeakPolarHBondContact O-CG 3.35Å; D298-D467 HydrophobicContact CB-CB 4.24Å; D298-D467 WeakPolarHBondContact OD2-CB 3.49Å; D298-A468 HydrophobicContact CB-CB 4.47Å; D298-I471 HydrophobicContact CB-CD1 3.79Å
299	L	97	Very high	89	Confident	5 Å²	5	44 Å²	44	3%	0.026	21%	0.213	C	C	.	.			trans	-94.6	131.7	-170.7	-60.3	176.5	0	0	0	110.8	I297 I319 F322 D402 M403 F406 M407	I297-L299 HydrophobicContact CG2-CD2 3.69Å; I297-L299 HydrophobicContact CG2-CG 3.89Å; L299-I319 HydrophobicContact CD1-CD1 3.84Å; L299-I319 HydrophobicContact CD1-CG1 4.44Å; L299-F322 HydrophobicContact CD2-CB 4.18Å; L299-F322 HydrophobicContact CD2-CD1 3.61Å; L299-F322 HydrophobicContact CD2-CD2 3.8Å; L299-F322 HydrophobicContact CD2-CE1 3.81Å; L299-F322 HydrophobicContact CD2-CE2 4.01Å; L299-F322 HydrophobicContact CD2-CG 3.59Å; L299-F322 HydrophobicContact CD2-CZ 4Å; L299-D402 HydrophobicContact CD1-CB 4.08Å; L299-D402 HydrophobicContact CG-CB 4.2Å; L299-D402 PolarHBondContact N-OD1 2.88Å; L299-M403 HydrophobicContact CD1-CE 3.99Å; L299-F406 HydrophobicContact CB-CD2 4.49Å; L299-F406 HydrophobicContact CD1-CB 4.26Å; L299-M407 HydrophobicContact CD1-CG 3.6Å; L299-M407 HydrophobicContact CD1-SD 3.9Å
300	E	97	Very high	87.4	Confident	19 Å²	19	46.9 Å²	46.9	9%	0.089	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	143.4	166.2	-56.4	-56.9	151.3	0	0	110.5	I320 E321 T358 I360 H462 G464	E300-I320 HydrophobicContact CB-CG1 4.16Å; E300-I320 PolarHBondContact O-N 3.5Å; E300-E321 HydrophobicContact CB-CB 3.73Å; E300-E321 HydrophobicContact CG-CB 4.03Å; E300-E321 WeakPolarHBondContact CG-OE2 3.5Å; E300-E321 PolarHBondContact N-O 3.28Å; E300-E321 PolarHBondContact O-N 2.78Å; E300-T358 HydrophobicContact CB-CG2 4.3Å; E300-T358 HydrophobicContact CG-CG2 4.44Å; E300-I360 HydrophobicContact CB-CD1 4.12Å; E300-I360 HydrophobicContact CG-CD1 4.48Å; E300-H462 WeakPolarHBondContact CG-O 3.3Å; E300-G464 PolarHBondContact OE1-N 3.48Å
301	A	95.5	Very high	85.8	Confident	7 Å²	7	49.1 Å²	49.1	6%	0.058	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	155.6	-178	0	0	0	0	0	111.6	C303 H317 E318 F406	A301-C303 PolarHBondContact O-N 3.26Å; A301-H317 HydrophobicContact CB-CB 4.16Å; A301-E318 CarbonylContact C-O 3.56Å; A301-E318 WeakPolarHBondContact CA-O 3.37Å; A301-E318 WeakPolarHBondContact CB-O 3.2Å; A301-F406 HydrophobicContact CB-CD1 3.58Å; A301-F406 HydrophobicContact CB-CE1 3.65Å; A301-F406 HydrophobicContact CB-CG 4.15Å; A301-F406 HydrophobicContact CB-CZ 4.26Å
302	T	95	Very high	83.8	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.012	29%	0.294	C	S	.	.			trans	-52.6	137.5	171.6	58.6	0	0	0	0	109.9	Y315 H317 E318 I320 P344 L350	T302-Y315 WeakPolarHBondContact O-CE1 3.33Å; T302-H317 PolarHBondContact O-ND1 3Å; T302-E318 HydrophobicContact CG2-CB 4.16Å; T302-E318 PolarHBondContact N-O 3.33Å; T302-E318 PolarHBondContact OG1-N 3.13Å; T302-I320 HydrophobicContact CG2-CG2 3.59Å; T302-P344 HydrophobicContact CG2-CB 4.03Å; T302-P344 HydrophobicContact CG2-CG 4.22Å; T302-L350 HydrophobicContact CG2-CD2 3.98Å
303	C	90.3	Very high	82.1	Confident	18 Å²	18	58.5 Å²	58.5	12%	0.122	31%	0.309	C	S	.	.			trans	-147	168.7	177.9	61.9	0	0	0	0	110.9	A301 S351 F353	A301-C303 PolarHBondContact O-N 3.26Å; C303-S351 PolarHBondContact O-OG 3.34Å; C303-F353 HydrophobicContact CB-CE1 4.44Å
304	E	86.4	Confident	80.8	Confident	42 Å²	42	61.8 Å²	61.8	20%	0.196	33%	0.33	C	S	.	.			trans	-144.8	155.3	-179.9	-176.7	57.5	-82.6	0	0	109.4	K308 I309 Y315 S351	E304-K308 VanDerWaalsContact CD-CD 3.41Å; E304-K308 HydrophobicContact CG-CB 3.7Å; E304-K308 HydrophobicContact CG-CD 4.11Å; E304-K308 WeakPolarHBondContact OE1-CD 3.5Å; E304-K308 IonicContact OE1-NZ 2.59Å; E304-K308 WeakPolarHBondContact OE2-CD 3.28Å; E304-K308 IonicContact OE2-NZ 3.83Å; E304-I309 HydrophobicContact CB-CG1 4.24Å; E304-I309 HydrophobicContact CG-CG1 4.39Å; E304-Y315 HydrophobicContact CB-CD2 4.04Å; E304-Y315 HydrophobicContact CB-CE2 3.69Å; E304-S351 VanDerWaalsContact OE2-CB 3.3Å; E304-S351 WeakPolarHBondContact OE2-CB 3.41Å
305	S	80.7	Confident	80.1	Confident	26 Å²	26	63.6 Å²	63.6	18%	0.182	34%	0.337	C	S	.	.			trans	-62.6	143.3	177.1	79.4	0	0	0	0	111	E307 K308 I309	S305-E307 PolarHBondContact O-N 3.47Å; S305-K308 PolarHBondContact O-N 3.33Å; S305-I309 WeakPolarHBondContact O-CG1 3.43Å; S305-I309 PolarHBondContact O-N 3.17Å
306	K	74.1	Confident	79.7	Confident	193 Å²	193	65.7 Å²	65.7	84%	0.839	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30	-179.5	-71.1	-174.5	178.1	-178.8	0	113.3	K308 I309	K306-K308 VanDerWaalsContact C-N 3.3Å; K306-K308 PolarHBondContact O-N 3.23Å; K306-I309 PolarHBondContact O-N 2.76Å
307	E	72.6	Confident	79.4	Confident	190 Å²	190	67 Å²	67	89%	0.888	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-28.2	-178.7	-62.7	177	-178.6	0	0	112.8	S305	S305-E307 PolarHBondContact O-N 3.47Å
308	K	66.9	Low	79.4	Confident	122 Å²	122	67.2 Å²	67.2	53%	0.53	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-16.2	179	-74.8	176.7	177.1	177.3	0	113.4	E304 S305 K306 T310	E304-K308 VanDerWaalsContact CD-CD 3.41Å; E304-K308 HydrophobicContact CG-CB 3.7Å; E304-K308 HydrophobicContact CG-CD 4.11Å; E304-K308 WeakPolarHBondContact OE1-CD 3.5Å; E304-K308 IonicContact OE1-NZ 2.59Å; E304-K308 WeakPolarHBondContact OE2-CD 3.28Å; E304-K308 IonicContact OE2-NZ 3.83Å; S305-K308 PolarHBondContact O-N 3.33Å; K306-K308 VanDerWaalsContact C-N 3.3Å; K306-K308 PolarHBondContact O-N 3.23Å; K308-T310 PolarHBondContact O-N 3.49Å; K308-T310 VanDerWaalsContact O-N 3.12Å
309	I	67.1	Low	79.5	Confident	52 Å²	52	66.7 Å²	66.7	27%	0.267	36%	0.355	S	S	.	.			trans	-78.8	100	177.5	-59.2	172.6	0	0	0	107.8	E304 S305 K306 T311	E304-I309 HydrophobicContact CB-CG1 4.24Å; E304-I309 HydrophobicContact CG-CG1 4.39Å; S305-I309 WeakPolarHBondContact O-CG1 3.43Å; S305-I309 PolarHBondContact O-N 3.17Å; K306-I309 PolarHBondContact O-N 2.76Å; I309-T311 WeakPolarHBondContact CG2-O 3.35Å; I309-T311 PolarHBondContact O-N 2.89Å
310	T	57.1	Low	79.5	Confident	139 Å²	139	66.5 Å²	66.5	85%	0.853	35%	0.354	S	S	*	.			trans	-73.4	-9.6	-177.5	53.6	0	0	0	0	114.3	K308	K308-T310 PolarHBondContact O-N 3.49Å; K308-T310 VanDerWaalsContact O-N 3.12Å
311	T	56.6	Low	79.5	Confident	88 Å²	88	65.6 Å²	65.6	54%	0.54	35%	0.35	S	S	.	.	S	Bend	trans	-127.7	124.9	177.8	59.1	0	0	0	0	110.2	I309 A313	I309-T311 WeakPolarHBondContact CG2-O 3.35Å; I309-T311 PolarHBondContact O-N 2.89Å; T311-A313 PolarHBondContact O-N 3.35Å
312	D	52.6	Low	79.6	Confident	182 Å²	182	65.2 Å²	65.2	97%	0.973	35%	0.347	S	S	*	.	S	Bend	trans	-63.4	4	-174	-81.6	-39.8	0	0	0	115.6
313	A	55.3	Low	79.6	Confident	77 Å²	77	65.1 Å²	65.1	64%	0.636	35%	0.347	S	S	*	.	S	Bend	trans	-116.4	-46.3	-161.4	0	0	0	0	0	117.6	T311	T311-A313 PolarHBondContact O-N 3.35Å
314	D	67	Low	79.8	Confident	120 Å²	120	64.3 Å²	64.3	64%	0.642	34%	0.341	S	S	*	.			trans	-161.6	87.9	-171.4	-81.7	-50	0	0	0	112.9
315	Y	81.7	Confident	80.2	Confident	39 Å²	39	62.3 Å²	62.3	15%	0.153	33%	0.331	C	S	.	.			trans	-61	127.5	162	-179.4	-91	0	0	0	108.6	T302 E304 H317	T302-Y315 WeakPolarHBondContact O-CE1 3.33Å; E304-Y315 HydrophobicContact CB-CD2 4.04Å; E304-Y315 HydrophobicContact CB-CE2 3.69Å; Y315-H317 VanDerWaalsContact C-N 3.26Å; Y315-H317 AromaticContact CD1-CE1 3.76Å; Y315-H317 AromaticContact CD1-CG 3.92Å; Y315-H317 AromaticContact CD1-ND1 3.6Å; Y315-H317 PolarHBondContact O-CD2 2.86Å; Y315-H317 PolarHBondContact O-N 3.38Å
316	P	88.2	Confident	80.8	Confident	46 Å²	46	61.1 Å²	61.1	30%	0.299	32%	0.323	S	S	.	.			trans	-79.1	76.6	-174.5	33.8	-36.4	0	0	0	110.7	L346 H347	P316-L346 HydrophobicContact CB-CD2 3.63Å; P316-L346 HydrophobicContact CG-CD2 3.55Å; P316-H347 VanDerWaalsContact CG-NE2 3.33Å; P316-H347 WeakPolarHBondContact CG-NE2 3.41Å
317	H	92.8	Very high	81.8	Confident	27 Å²	27	52.2 Å²	52.2	13%	0.125	28%	0.284	C	S	.	.			trans	-55.3	136	179.8	-61.2	-82	0	0	0	112.3	A301 T302 Y315 K405 F406 I409	A301-H317 HydrophobicContact CB-CB 4.16Å; T302-H317 PolarHBondContact O-ND1 3Å; Y315-H317 VanDerWaalsContact C-N 3.26Å; Y315-H317 AromaticContact CD1-CE1 3.76Å; Y315-H317 AromaticContact CD1-CG 3.92Å; Y315-H317 AromaticContact CD1-ND1 3.6Å; Y315-H317 PolarHBondContact O-CD2 2.86Å; Y315-H317 PolarHBondContact O-N 3.38Å; H317-K405 VanDerWaalsContact CD2-CE 3.45Å; H317-K405 WeakPolarHBondContact CD2-CE 3.44Å; H317-K405 PolarHBondContact CD2-NZ 3.02Å; H317-K405 PolarHBondContact NE2-NZ 3.18Å; H317-F406 HydrophobicContact CB-CD1 3.96Å; H317-F406 HydrophobicContact CB-CE1 4.01Å; H317-F406 AromaticContact CG-CE1 3.86Å; H317-I409 VanDerWaalsContact O-CG2 3.24Å; H317-I409 WeakPolarHBondContact O-CG2 3.07Å
318	E	97.3	Very high	82.7	Confident	5 Å²	5	43.3 Å²	43.3	2%	0.023	24%	0.243	C	C	.	.			trans	-117.6	136.2	171.1	-67.1	-178.3	102	0	0	109.5	A301 T302 I320 P344 R345 L346 H347 L413	A301-E318 CarbonylContact C-O 3.56Å; A301-E318 WeakPolarHBondContact CA-O 3.37Å; A301-E318 WeakPolarHBondContact CB-O 3.2Å; T302-E318 HydrophobicContact CG2-CB 4.16Å; T302-E318 PolarHBondContact N-O 3.33Å; T302-E318 PolarHBondContact OG1-N 3.13Å; E318-I320 PolarHBondContact O-N 2.84Å; E318-P344 HydrophobicContact CB-CB 3.95Å; E318-P344 HydrophobicContact CG-CB 4.45Å; E318-P344 VanDerWaalsContact OE2-CB 3.3Å; E318-P344 WeakPolarHBondContact OE2-CB 3.37Å; E318-R345 PolarHBondContact OE1-N 3.32Å; E318-R345 PolarHBondContact OE2-N 3.12Å; E318-L346 VanDerWaalsContact CD-N 3.29Å; E318-L346 HydrophobicContact CG-CB 4.47Å; E318-L346 PolarHBondContact OE1-N 2.92Å; E318-L346 WeakPolarHBondContact OE2-CA 3.32Å; E318-L346 WeakPolarHBondContact OE2-CB 3.21Å; E318-L346 PolarHBondContact OE2-N 3.46Å; E318-H347 PolarHBondContact OE2-N 3.4Å; E318-L413 HydrophobicContact CG-CD1 3.75Å
319	I	97.6	Very high	83.9	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	131.5	176.4	-65.6	171	0	0	0	108.7	L299 F322 C342 F371 F406 M407 Q410	L299-I319 HydrophobicContact CD1-CD1 3.84Å; L299-I319 HydrophobicContact CD1-CG1 4.44Å; I319-F322 HydrophobicContact CG2-CD2 4.43Å; I319-C342 HydrophobicContact CG2-CB 4.42Å; I319-C342 WeakPolarHBondContact O-CB 3.48Å; I319-F371 HydrophobicContact CB-CD2 4.43Å; I319-F371 HydrophobicContact CD1-CD2 4.24Å; I319-F371 HydrophobicContact CD1-CE2 3.72Å; I319-F371 HydrophobicContact CD1-CZ 4.41Å; I319-F406 HydrophobicContact CD1-CB 4.42Å; I319-F406 HydrophobicContact CG1-CB 4.11Å; I319-M407 HydrophobicContact CD1-CG 4.37Å; I319-M407 HydrophobicContact CD1-SD 3.55Å; I319-M407 VanDerWaalsContact CD1-SD 3.55Å; I319-Q410 HydrophobicContact CB-CG 4.29Å; I319-Q410 HydrophobicContact CD1-CB 3.68Å; I319-Q410 HydrophobicContact CD1-CG 3.93Å; I319-Q410 HydrophobicContact CG1-CB 3.98Å; I319-Q410 HydrophobicContact CG1-CG 4.17Å
320	I	97.5	Very high	85	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	-16.1	178.6	58.8	176.2	0	0	0	113.5	E300 T302 E318 Y341 C342 P344 L350 I360 V365	E300-I320 HydrophobicContact CB-CG1 4.16Å; E300-I320 PolarHBondContact O-N 3.5Å; T302-I320 HydrophobicContact CG2-CG2 3.59Å; E318-I320 PolarHBondContact O-N 2.84Å; I320-Y341 CarbonylContact O-C 3.36Å; I320-Y341 VanDerWaalsContact O-CA 3.24Å; I320-Y341 WeakPolarHBondContact O-CA 3.37Å; I320-C342 PolarHBondContact O-N 2.9Å; I320-P344 HydrophobicContact CG2-CB 4.34Å; I320-P344 HydrophobicContact CG2-CG 4Å; I320-L350 HydrophobicContact CD1-CD2 4.1Å; I320-L350 HydrophobicContact CG2-CD2 4.21Å; I320-I360 HydrophobicContact CD1-CD1 3.9Å; I320-I360 HydrophobicContact CG1-CD1 3.96Å; I320-V365 HydrophobicContact CB-CG1 4.04Å; I320-V365 HydrophobicContact CG2-CG1 4.21Å
321	E	97.2	Very high	86.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.7	171.2	-162.2	-175.9	167.4	0	0	110.2	E300 H339 A340 Y341 I360 G464 L465	E300-E321 HydrophobicContact CB-CB 3.73Å; E300-E321 HydrophobicContact CG-CB 4.03Å; E300-E321 WeakPolarHBondContact CG-OE2 3.5Å; E300-E321 PolarHBondContact N-O 3.28Å; E300-E321 PolarHBondContact O-N 2.78Å; E321-H339 IonicContact OE1-CD2 3.64Å; E321-H339 IonicContact OE1-CE1 3.32Å; E321-H339 IonicContact OE1-NE2 2.7Å; E321-H339 PolarHBondContact OE1-NE2 3.34Å; E321-A340 CarbonylContact C-O 3.56Å; E321-A340 WeakPolarHBondContact CA-O 3.3Å; E321-Y341 HydrophobicContact CB-CD1 4.37Å; E321-Y341 HydrophobicContact CG-CD1 4.15Å; E321-Y341 HydrophobicContact CG-CE1 4.04Å; E321-I360 HydrophobicContact CB-CD1 3.9Å; E321-G464 VanDerWaalsContact CD-N 3.31Å; E321-G464 PolarHBondContact OE1-N 3.4Å; E321-G464 PolarHBondContact OE2-N 3.38Å; E321-L465 PolarHBondContact OE1-N 2.91Å; E321-L465 VanDerWaalsContact OE1-N 3.12Å
322	F	96.9	Very high	87.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	86.7	179.9	-155.4	-40.7	0	0	0	111	I297 L299 I319 I324 A340 F371 I378 M407 W421	I297-F322 HydrophobicContact CD1-CE1 4.2Å; I297-F322 HydrophobicContact CG2-CE1 3.99Å; L299-F322 HydrophobicContact CD2-CB 4.18Å; L299-F322 HydrophobicContact CD2-CD1 3.61Å; L299-F322 HydrophobicContact CD2-CD2 3.8Å; L299-F322 HydrophobicContact CD2-CE1 3.81Å; L299-F322 HydrophobicContact CD2-CE2 4.01Å; L299-F322 HydrophobicContact CD2-CG 3.59Å; L299-F322 HydrophobicContact CD2-CZ 4Å; I319-F322 HydrophobicContact CG2-CD2 4.43Å; F322-I324 HydrophobicContact CD1-CD1 4.16Å; F322-I324 HydrophobicContact CD1-CG1 3.81Å; F322-I324 HydrophobicContact CE1-CD1 3.69Å; F322-I324 HydrophobicContact CE1-CG1 3.64Å; F322-A340 PolarHBondContact N-O 2.96Å; F322-A340 PolarHBondContact O-N 2.96Å; F322-F371 HydrophobicContact CD2-CE2 4.17Å; F322-F371 HydrophobicContact CE2-CE2 4.09Å; F322-I378 HydrophobicContact CB-CD1 4.43Å; F322-I378 HydrophobicContact CD1-CD1 3.72Å; F322-I378 HydrophobicContact CD2-CD1 3.56Å; F322-I378 HydrophobicContact CE1-CD1 3.8Å; F322-I378 HydrophobicContact CE2-CD1 3.62Å; F322-I378 HydrophobicContact CG-CD1 3.63Å; F322-I378 HydrophobicContact CZ-CD1 3.76Å; F322-M407 HydrophobicContact CE2-CE 4.02Å; F322-M407 HydrophobicContact CE2-SD 3.58Å; F322-M407 VanDerWaalsContact CE2-SD 3.58Å; F322-M407 HydrophobicContact CZ-CE 4.26Å; F322-M407 HydrophobicContact CZ-SD 4.04Å; F322-W421 HydrophobicContact CZ-CH2 4.25Å
323	P	95.3	Very high	89.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	144	170.2	35.8	-36.6	0	0	0	111.8	D298 F338 G464 L465 A468	D298-P323 WeakPolarHBondContact O-CD 3.43Å; D298-P323 WeakPolarHBondContact O-CG 3.35Å; P323-F338 CarbonylContact C-O 3.53Å; P323-F338 WeakPolarHBondContact CA-O 3.27Å; P323-G464 VanDerWaalsContact CG-C 3.46Å; P323-G464 WeakPolarHBondContact CG-O 3.49Å; P323-L465 HydrophobicContact CB-CB 4.22Å; P323-L465 HydrophobicContact CB-CD1 4.09Å; P323-A468 HydrophobicContact CB-CB 4.42Å; P323-A468 HydrophobicContact CG-CB 4.38Å
324	I	95.2	Very high	91.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	115.1	166.9	-46.6	180	0	0	0	109	L295 I296 I297 F322 V337 F338 I378 W381	L295-I324 HydrophobicContact CB-CG2 4.03Å; L295-I324 HydrophobicContact CD2-CG2 4.3Å; L295-I324 HydrophobicContact CG-CG2 4.23Å; I296-I324 WeakPolarHBondContact O-CA 3.28Å; I297-I324 HydrophobicContact CD1-CD1 4.45Å; I297-I324 HydrophobicContact CD1-CG1 4.24Å; I297-I324 HydrophobicContact CD1-CG2 4.42Å; I297-I324 HydrophobicContact CG1-CB 4.43Å; I297-I324 HydrophobicContact CG1-CG1 4.13Å; I297-I324 HydrophobicContact CG1-CG2 4.1Å; F322-I324 HydrophobicContact CD1-CD1 4.16Å; F322-I324 HydrophobicContact CD1-CG1 3.81Å; F322-I324 HydrophobicContact CE1-CD1 3.69Å; F322-I324 HydrophobicContact CE1-CG1 3.64Å; I324-V337 WeakPolarHBondContact O-CA 3.44Å; I324-F338 HydrophobicContact CB-CB 4.15Å; I324-F338 HydrophobicContact CD1-CD1 4.44Å; I324-F338 HydrophobicContact CG1-CB 4.47Å; I324-F338 HydrophobicContact CG1-CD1 4.38Å; I324-F338 PolarHBondContact N-O 2.76Å; I324-F338 PolarHBondContact O-N 2.98Å; I324-I378 HydrophobicContact CD1-CB 4.49Å; I324-I378 HydrophobicContact CD1-CD1 4.31Å; I324-I378 HydrophobicContact CD1-CG1 4.13Å; I324-I378 HydrophobicContact CD1-CG2 3.6Å; I324-W381 HydrophobicContact CB-CZ3 4.45Å; I324-W381 HydrophobicContact CG2-CH2 4.47Å; I324-W381 HydrophobicContact CG2-CZ3 4.15Å
325	L	94.5	Very high	92.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.1	167.1	-48.5	179.8	0	0	0	109.4	L98 I296 Y327 V337 L465 A468 I469 L472	L98-L325 HydrophobicContact CD2-CD2 4.21Å; I296-L325 HydrophobicContact CB-CB 4.01Å; I296-L325 HydrophobicContact CB-CG 4.47Å; I296-L325 HydrophobicContact CG1-CB 4.27Å; I296-L325 PolarHBondContact N-O 3.13Å; I296-L325 PolarHBondContact O-N 3.16Å; L325-Y327 PolarHBondContact O-N 3.45Å; L325-V337 HydrophobicContact CD2-CB 4.2Å; L325-V337 HydrophobicContact CD2-CG1 3.8Å; L325-V337 HydrophobicContact CD2-CG2 3.46Å; L325-V337 VanDerWaalsContact CD2-CG2 3.46Å; L325-L465 HydrophobicContact CD2-CD1 3.82Å; L325-A468 VanDerWaalsContact CD1-C 3.47Å; L325-A468 HydrophobicContact CD1-CB 4.04Å; L325-A468 WeakPolarHBondContact CD1-O 3.48Å; L325-A468 HydrophobicContact CG-CB 4.09Å; L325-I469 HydrophobicContact CD1-CB 4.47Å; L325-I469 HydrophobicContact CD1-CG1 3.94Å; L325-L472 HydrophobicContact CD1-CB 3.96Å; L325-L472 HydrophobicContact CD1-CD2 3.92Å
326	L	94.3	Very high	92.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	105.9	175.3	-175	64.7	0	0	0	109.6	Y293 L295 C334 V335 S336 W381 H386 L388	Y293-L326 HydrophobicContact CD1-CD1 3.93Å; Y293-L326 HydrophobicContact CD1-CD2 4.41Å; Y293-L326 HydrophobicContact CD1-CG 3.95Å; Y293-L326 HydrophobicContact CG-CD1 4.03Å; L295-L326 HydrophobicContact CD1-CD1 4.22Å; L295-L326 HydrophobicContact CG-CD1 4.29Å; L326-C334 CarbonylContact O-C 3.43Å; L326-C334 WeakPolarHBondContact O-CA 3.5Å; L326-V335 HydrophobicContact CB-CG2 4.17Å; L326-V335 HydrophobicContact CD2-CG2 3.8Å; L326-V335 HydrophobicContact CG-CG2 3.72Å; L326-V335 VanDerWaalsContact O-CG2 3.28Å; L326-V335 WeakPolarHBondContact O-CG2 3.37Å; L326-V335 PolarHBondContact O-N 3.49Å; L326-S336 PolarHBondContact N-O 3.26Å; L326-W381 HydrophobicContact CB-CH2 3.66Å; L326-W381 HydrophobicContact CB-CZ2 4.47Å; L326-W381 HydrophobicContact CB-CZ3 4.33Å; L326-W381 HydrophobicContact CD2-CH2 4.3Å; L326-H386 HydrophobicContact CD2-CB 4.05Å; L326-L388 HydrophobicContact CD1-CD1 3.71Å; L326-L388 HydrophobicContact CD2-CD1 4.18Å
327	Y	93.9	Very high	92.9	Very high	6 Å²	6	24.8 Å²	24.8	2%	0.024	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.8	-179.2	179.7	-104.6	0	0	0	111.5	Y293 L294 L325 T329 R332 K333 L472 R476 L479	Y293-Y327 CarbonylContact C-O 3.52Å; Y293-Y327 WeakPolarHBondContact CA-O 3.48Å; L294-Y327 HydrophobicContact CB-CD1 4.45Å; L294-Y327 HydrophobicContact CD1-CD1 4.22Å; L294-Y327 PolarHBondContact N-O 2.8Å; L294-Y327 PolarHBondContact O-N 2.94Å; L325-Y327 PolarHBondContact O-N 3.45Å; Y327-T329 HydrophobicContact CD1-CG2 4.32Å; Y327-T329 HydrophobicContact CE1-CG2 4.35Å; Y327-R332 WeakPolarHBondContact CE2-O 2.95Å; Y327-R332 WeakPolarHBondContact OH-CA 3.46Å; Y327-R332 WeakPolarHBondContact OH-CB 3.09Å; Y327-R332 PolarHBondContact OH-O 2.92Å; Y327-K333 VanDerWaalsContact CD2-O 3.27Å; Y327-K333 WeakPolarHBondContact CD2-O 3.24Å; Y327-L472 HydrophobicContact CD1-CD1 4.39Å; Y327-L472 HydrophobicContact CD2-CD1 3.45Å; Y327-L472 VanDerWaalsContact CD2-CD1 3.45Å; Y327-L472 HydrophobicContact CD2-CD2 4.47Å; Y327-L472 HydrophobicContact CE2-CD1 4.01Å; Y327-L472 HydrophobicContact CG-CD1 3.65Å; Y327-R476 HydrophobicContact CE2-CG 3.97Å; Y327-L479 HydrophobicContact CE1-CD1 3.78Å
328	S	92.9	Very high	93	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.021	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.8	170.6	178.6	0	0	0	0	110	R330 L331 R332 K333	S328-R330 VanDerWaalsContact C-N 3.29Å; S328-R330 PolarHBondContact O-N 3.39Å; S328-L331 PolarHBondContact OG-N 3.45Å; S328-R332 WeakPolarHBondContact O-CA 3.41Å; S328-R332 PolarHBondContact O-N 3.43Å; S328-K333 PolarHBondContact N-O 3.26Å; S328-K333 PolarHBondContact O-N 2.79Å
329	T	91.6	Very high	92.8	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.031	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-27.8	178.3	66.2	0	0	0	0	112.2	Y291 D292 L294 Y327 R332	Y291-T329 WeakPolarHBondContact O-CB 3.23Å; Y291-T329 WeakPolarHBondContact O-CG2 2.91Å; Y291-T329 PolarHBondContact O-OG1 2.91Å; D292-T329 PolarHBondContact O-N 2.83Å; D292-T329 VanDerWaalsContact O-N 3.08Å; D292-T329 PolarHBondContact O-OG1 2.99Å; L294-T329 HydrophobicContact CD1-CG2 4.17Å; L294-T329 HydrophobicContact CG-CG2 3.96Å; Y327-T329 HydrophobicContact CD1-CG2 4.32Å; Y327-T329 HydrophobicContact CE1-CG2 4.35Å; T329-R332 WeakPolarHBondContact O-CG 3.37Å
330	R	90.1	Very high	92.7	Very high	186 Å²	186	23.7 Å²	23.7	70%	0.702	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-49.6	178.1	-176.4	171.9	65.6	156.3	1.4	111.6	S328 R332	S328-R330 VanDerWaalsContact C-N 3.29Å; S328-R330 PolarHBondContact O-N 3.39Å; R330-R332 VanDerWaalsContact C-N 3.28Å
331	L	87.5	Confident	92.7	Very high	100 Å²	100	25 Å²	25	52%	0.524	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.4	177.2	-59.1	177.5	0	0	0	112	S328 K333 V335	S328-L331 PolarHBondContact OG-N 3.45Å; L331-K333 VanDerWaalsContact C-N 3.27Å; L331-K333 PolarHBondContact O-N 3.43Å; L331-V335 HydrophobicContact CD1-CG1 3.94Å
332	R	87.4	Confident	92.6	Very high	29 Å²	29	25 Å²	25	11%	0.109	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	35.9	-177.1	-61	169.2	-70.4	-162.6	-9.6	113.5	P151 P152 I154 Y327 S328 T329 R330	P151-R332 VanDerWaalsContact CB-NH2 3.31Å; P151-R332 PolarHBondContact O-NH1 2.79Å; P152-R332 WeakPolarHBondContact O-CD 3.49Å; P152-R332 PolarHBondContact O-NE 3.45Å; P152-R332 PolarHBondContact O-NH1 2.86Å; I154-R332 VanDerWaalsContact N-NH1 3.11Å; Y327-R332 WeakPolarHBondContact CE2-O 2.95Å; Y327-R332 WeakPolarHBondContact OH-CA 3.46Å; Y327-R332 WeakPolarHBondContact OH-CB 3.09Å; Y327-R332 PolarHBondContact OH-O 2.92Å; S328-R332 WeakPolarHBondContact O-CA 3.41Å; S328-R332 PolarHBondContact O-N 3.43Å; T329-R332 WeakPolarHBondContact O-CG 3.37Å; R330-R332 VanDerWaalsContact C-N 3.28Å
333	K	86.7	Confident	92.6	Very high	104 Å²	104	28.8 Å²	28.8	45%	0.452	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.4	-177.5	-70.9	-179.4	156.6	-140.6	0	110.5	E99 Y327 S328 L331 V335	E99-K333 WeakPolarHBondContact OE1-CD 3.48Å; E99-K333 IonicContact OE1-NZ 3.83Å; E99-K333 PolarHBondContact OE1-NZ 3.17Å; E99-K333 IonicContact OE2-NZ 3.61Å; Y327-K333 VanDerWaalsContact CD2-O 3.27Å; Y327-K333 WeakPolarHBondContact CD2-O 3.24Å; S328-K333 PolarHBondContact N-O 3.26Å; S328-K333 PolarHBondContact O-N 2.79Å; L331-K333 VanDerWaalsContact C-N 3.27Å; L331-K333 PolarHBondContact O-N 3.43Å; K333-V335 PolarHBondContact O-N 2.88Å
334	C	89.3	Confident	92.7	Very high	4 Å²	4	29 Å²	29	3%	0.027	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	115.9	162.9	-165.5	0	0	0	0	107	L102 L326 S336 L472	L102-C334 HydrophobicContact CD1-CB 4.09Å; L326-C334 CarbonylContact O-C 3.43Å; L326-C334 WeakPolarHBondContact O-CA 3.5Å; C334-S336 PolarHBondContact SG-O 2.96Å; C334-L472 HydrophobicContact CB-CD2 3.93Å
335	V	90.6	Very high	92.8	Very high	44 Å²	44	36.8 Å²	36.8	27%	0.267	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-16.7	-174.9	-64.4	0	0	0	0	113	L95 Y293 L326 L331 K333	L95-V335 WeakPolarHBondContact CD1-O 3.38Å; Y293-V335 HydrophobicContact CD1-CG2 4.22Å; Y293-V335 HydrophobicContact CE1-CG2 3.85Å; L326-V335 HydrophobicContact CB-CG2 4.17Å; L326-V335 HydrophobicContact CD2-CG2 3.8Å; L326-V335 HydrophobicContact CG-CG2 3.72Å; L326-V335 VanDerWaalsContact O-CG2 3.28Å; L326-V335 WeakPolarHBondContact O-CG2 3.37Å; L326-V335 PolarHBondContact O-N 3.49Å; L331-V335 HydrophobicContact CD1-CG1 3.94Å; K333-V335 PolarHBondContact O-N 2.88Å
336	S	91	Very high	92.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	160.8	173.4	-174.3	0	0	0	0	110.6	D92 L326 C334 W381 H386	D92-S336 VanDerWaalsContact CG-OG 3.31Å; D92-S336 PolarHBondContact OD1-OG 3.14Å; L326-S336 PolarHBondContact N-O 3.26Å; C334-S336 PolarHBondContact SG-O 2.96Å; S336-W381 WeakPolarHBondContact OG-CZ2 3.28Å; S336-H386 WeakPolarHBondContact CB-CE1 3.07Å; S336-H386 WeakPolarHBondContact CB-NE2 3.23Å; S336-H386 PolarHBondContact OG-NE2 3.4Å
337	V	92.2	Very high	92.6	Very high	3 Å²	3	44 Å²	44	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.8	176.6	176.7	0	0	0	0	109.4	D92 I93 L95 L98 I324 L325 L465	D92-V337 WeakPolarHBondContact CA-O 3.46Å; D92-V337 PolarHBondContact N-O 3.13Å; I93-V337 HydrophobicContact CB-CB 4.46Å; I93-V337 HydrophobicContact CB-CG1 4.48Å; I93-V337 HydrophobicContact CD1-CG1 4Å; L95-V337 HydrophobicContact CD2-CG2 3.77Å; L98-V337 HydrophobicContact CD2-CG2 3.38Å; I324-V337 WeakPolarHBondContact O-CA 3.44Å; L325-V337 HydrophobicContact CD2-CB 4.2Å; L325-V337 HydrophobicContact CD2-CG1 3.8Å; L325-V337 HydrophobicContact CD2-CG2 3.46Å; L325-V337 VanDerWaalsContact CD2-CG2 3.46Å; V337-L465 HydrophobicContact CG1-CD1 3.88Å
338	F	93.5	Very high	92.7	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.8	163.6	179.7	-83.4	0	0	0	108.6	P323 I324 A340 V374 Q377 I378 W381	P323-F338 CarbonylContact C-O 3.53Å; P323-F338 WeakPolarHBondContact CA-O 3.27Å; I324-F338 HydrophobicContact CB-CB 4.15Å; I324-F338 HydrophobicContact CD1-CD1 4.44Å; I324-F338 HydrophobicContact CG1-CB 4.47Å; I324-F338 HydrophobicContact CG1-CD1 4.38Å; I324-F338 PolarHBondContact N-O 2.76Å; I324-F338 PolarHBondContact O-N 2.98Å; F338-A340 HydrophobicContact CE1-CB 3.65Å; F338-A340 HydrophobicContact CZ-CB 3.95Å; F338-V374 HydrophobicContact CE1-CG1 4.23Å; F338-V374 HydrophobicContact CZ-CG1 4.25Å; F338-Q377 HydrophobicContact CE2-CB 4.14Å; F338-Q377 HydrophobicContact CZ-CB 4.26Å; F338-I378 HydrophobicContact CD1-CD1 4.39Å; F338-I378 HydrophobicContact CD1-CG1 3.77Å; F338-I378 HydrophobicContact CD2-CG1 4.49Å; F338-I378 HydrophobicContact CE1-CD1 3.82Å; F338-I378 HydrophobicContact CE1-CG1 3.29Å; F338-I378 HydrophobicContact CE2-CG1 4.07Å; F338-I378 HydrophobicContact CG-CG1 4.36Å; F338-I378 HydrophobicContact CZ-CD1 4.33Å; F338-I378 HydrophobicContact CZ-CG1 3.47Å; F338-I378 VanDerWaalsContact CZ-CG1 3.47Å; F338-W381 HydrophobicContact CB-CD2 4.03Å; F338-W381 HydrophobicContact CB-CE3 4.19Å; F338-W381 HydrophobicContact CB-CH2 4.08Å; F338-W381 HydrophobicContact CB-CZ2 3.93Å; F338-W381 HydrophobicContact CB-CZ3 4.24Å; F338-W381 HydrophobicContact CD2-CB 4.23Å; F338-W381 HydrophobicContact CD2-CD2 4.37Å; F338-W381 HydrophobicContact CD2-CG 4.09Å
339	H	94.3	Very high	92.9	Very high	10 Å²	10	52.2 Å²	52.2	5%	0.046	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	136.1	173.7	-176	-99.9	0	0	0	110.5	E90 I93 E321 Y341	E90-H339 CarbonylContact C-O 3.54Å; E90-H339 PolarHBondContact N-O 3.48Å; E90-H339 PolarHBondContact O-N 3.49Å; I93-H339 HydrophobicContact CD1-CB 3.42Å; I93-H339 VanDerWaalsContact CD1-CB 3.42Å; I93-H339 HydrophobicContact CG1-CB 4.43Å; E321-H339 IonicContact OE1-CD2 3.64Å; E321-H339 IonicContact OE1-CE1 3.32Å; E321-H339 IonicContact OE1-NE2 2.7Å; E321-H339 PolarHBondContact OE1-NE2 3.34Å; H339-Y341 AromaticContact CE1-CE2 3.88Å; H339-Y341 AromaticContact CE1-CZ 3.72Å
340	A	95	Very high	93	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	138.4	175.3	0	0	0	0	0	110.7	S89 E321 F322 F338 V374	S89-A340 WeakPolarHBondContact OG-CB 3.38Å; E321-A340 CarbonylContact C-O 3.56Å; E321-A340 WeakPolarHBondContact CA-O 3.3Å; F322-A340 PolarHBondContact N-O 2.96Å; F322-A340 PolarHBondContact O-N 2.96Å; F338-A340 HydrophobicContact CE1-CB 3.65Å; F338-A340 HydrophobicContact CZ-CB 3.95Å; A340-V374 HydrophobicContact CB-CG1 3.58Å; A340-V374 HydrophobicContact CB-CG2 4.45Å
341	Y	96.5	Very high	93.2	Very high	26 Å²	26	44.9 Å²	44.9	10%	0.102	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	153.5	155.9	-61.5	-68.7	0	0	0	110	I320 E321 H339 I360 Q364 A368	I320-Y341 CarbonylContact O-C 3.36Å; I320-Y341 VanDerWaalsContact O-CA 3.24Å; I320-Y341 WeakPolarHBondContact O-CA 3.37Å; E321-Y341 HydrophobicContact CB-CD1 4.37Å; E321-Y341 HydrophobicContact CG-CD1 4.15Å; E321-Y341 HydrophobicContact CG-CE1 4.04Å; H339-Y341 AromaticContact CE1-CE2 3.88Å; H339-Y341 AromaticContact CE1-CZ 3.72Å; Y341-I360 HydrophobicContact CD1-CD1 4.34Å; Y341-I360 HydrophobicContact CD1-CG2 4.1Å; Y341-I360 HydrophobicContact CE1-CD1 4.13Å; Y341-I360 HydrophobicContact CE1-CG1 4Å; Y341-I360 HydrophobicContact CE1-CG2 4.09Å; Y341-Q364 HydrophobicContact CD2-CB 4.1Å; Y341-Q364 HydrophobicContact CE2-CB 4.24Å; Y341-Q364 HydrophobicContact CE2-CG 4.48Å; Y341-Q364 HydrophobicContact CG-CB 4.27Å; Y341-Q364 PolarHBondContact OH-NE2 3.17Å; Y341-A368 WeakPolarHBondContact O-CB 3.32Å
342	C	96.3	Very high	93.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133.9	176.5	-72.5	0	0	0	0	109.5	I319 I320 P344 Q369	I319-C342 HydrophobicContact CG2-CB 4.42Å; I319-C342 WeakPolarHBondContact O-CB 3.48Å; I320-C342 PolarHBondContact O-N 2.9Å; C342-P344 VanDerWaalsContact O-CD 3.27Å; C342-P344 WeakPolarHBondContact O-CD 3.47Å; C342-Q369 WeakPolarHBondContact CA-O 3.41Å
343	K	97.5	Very high	93.7	Very high	81 Å²	81	49.7 Å²	49.7	35%	0.352	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	113.3	176.5	-175.9	164.2	-169.3	157	0	110.7	V365 D366 A368 Q369	K343-V365 WeakPolarHBondContact CB-O 3.43Å; K343-V365 WeakPolarHBondContact CG-O 3.13Å; K343-D366 PolarHBondContact NZ-O 3.13Å; K343-A368 HydrophobicContact CB-CB 4.16Å; K343-A368 WeakPolarHBondContact CB-O 3.34Å; K343-Q369 PolarHBondContact N-O 3.36Å
344	P	97.2	Very high	93.9	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.032	22%	0.216	C	C	.	.			trans	-68.8	148.9	174.6	26.1	-26.5	0	0	0	110.5	T302 E318 I320 C342 H347 L350	T302-P344 HydrophobicContact CG2-CB 4.03Å; T302-P344 HydrophobicContact CG2-CG 4.22Å; E318-P344 HydrophobicContact CB-CB 3.95Å; E318-P344 HydrophobicContact CG-CB 4.45Å; E318-P344 VanDerWaalsContact OE2-CB 3.3Å; E318-P344 WeakPolarHBondContact OE2-CB 3.37Å; I320-P344 HydrophobicContact CG2-CB 4.34Å; I320-P344 HydrophobicContact CG2-CG 4Å; C342-P344 VanDerWaalsContact O-CD 3.27Å; C342-P344 WeakPolarHBondContact O-CD 3.47Å; P344-H347 WeakPolarHBondContact CB-O 3.09Å; P344-H347 WeakPolarHBondContact CG-O 3.4Å; P344-L350 HydrophobicContact CG-CD2 4.49Å
345	R	95.6	Very high	94	Very high	163 Å²	163	46.5 Å²	46.5	62%	0.615	23%	0.227	S	C	*	.	S	Bend	trans	-111.9	-36.7	-178.2	-71.6	-174.7	173.3	-177	-1.3	112.7	E318	E318-R345 PolarHBondContact OE1-N 3.32Å; E318-R345 PolarHBondContact OE2-N 3.12Å
346	L	93.4	Very high	94.1	Very high	92 Å²	92	49.1 Å²	49.1	48%	0.482	24%	0.239	S	C	.	.	S	Bend	trans	-79.6	-42.6	-178.7	-175.8	65	0	0	0	111	P316 E318 P348 L413	P316-L346 HydrophobicContact CB-CD2 3.63Å; P316-L346 HydrophobicContact CG-CD2 3.55Å; E318-L346 VanDerWaalsContact CD-N 3.29Å; E318-L346 HydrophobicContact CG-CB 4.47Å; E318-L346 PolarHBondContact OE1-N 2.92Å; E318-L346 WeakPolarHBondContact OE2-CA 3.32Å; E318-L346 WeakPolarHBondContact OE2-CB 3.21Å; E318-L346 PolarHBondContact OE2-N 3.46Å; L346-P348 WeakPolarHBondContact O-CD 3.47Å; L346-L413 HydrophobicContact CD2-CD2 4.43Å
347	H	92.1	Very high	94	Very high	61 Å²	61	51.9 Å²	51.9	28%	0.282	25%	0.254	S	S	.	.	S	Bend	trans	-123.1	74.1	176.1	-63.3	-60.2	0	0	0	109.5	P316 E318 P344 D349	P316-H347 VanDerWaalsContact CG-NE2 3.33Å; P316-H347 WeakPolarHBondContact CG-NE2 3.41Å; E318-H347 PolarHBondContact OE2-N 3.4Å; P344-H347 WeakPolarHBondContact CB-O 3.09Å; P344-H347 WeakPolarHBondContact CG-O 3.4Å; H347-D349 VanDerWaalsContact C-N 3.28Å; H347-D349 PolarHBondContact O-N 2.93Å
348	P	96.2	Very high	93.7	Very high	55 Å²	55	51.7 Å²	51.7	36%	0.357	25%	0.253	S	S	.	.			trans	-62.8	-35.4	-176.8	25	-33.9	0	0	0	112.5	L346 Q362	L346-P348 WeakPolarHBondContact O-CD 3.47Å; P348-Q362 PolarHBondContact O-NE2 3.32Å
349	D	96.9	Very high	93.5	Very high	126 Å²	126	55.8 Å²	55.8	67%	0.674	27%	0.272	S	S	*	.	S	Bend	trans	-85.7	119.3	175.7	-54.2	-47.7	0	0	0	109.7	H347	H347-D349 VanDerWaalsContact C-N 3.28Å; H347-D349 PolarHBondContact O-N 2.93Å
350	L	94.3	Very high	93.4	Very high	22 Å²	22	55.3 Å²	55.3	12%	0.115	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-67.6	138.7	175.2	-59.5	-178.5	0	0	0	109.9	T302 I320 P344 I360 V365	T302-L350 HydrophobicContact CG2-CD2 3.98Å; I320-L350 HydrophobicContact CD1-CD2 4.1Å; I320-L350 HydrophobicContact CG2-CD2 4.21Å; P344-L350 HydrophobicContact CG-CD2 4.49Å; L350-I360 HydrophobicContact CD1-CG2 4.21Å; L350-V365 HydrophobicContact CD1-CG1 4.04Å; L350-V365 HydrophobicContact CD1-CG2 3.85Å; L350-V365 HydrophobicContact CD2-CG1 4.46Å; L350-V365 HydrophobicContact CD2-CG2 4.31Å; L350-V365 HydrophobicContact CG-CG2 3.9Å
351	S	93.8	Very high	93.3	Very high	14 Å²	14	60.9 Å²	60.9	10%	0.098	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-67.8	151.6	170.7	75.3	0	0	0	0	110.2	C303 E304 F353 C354 T355	C303-S351 PolarHBondContact O-OG 3.34Å; E304-S351 VanDerWaalsContact OE2-CB 3.3Å; E304-S351 WeakPolarHBondContact OE2-CB 3.41Å; S351-F353 PolarHBondContact O-N 3.22Å; S351-C354 WeakPolarHBondContact O-CA 3.2Å; S351-C354 WeakPolarHBondContact O-CB 3.34Å; S351-C354 PolarHBondContact O-N 3.1Å; S351-C354 VanDerWaalsContact OG-CB 3.3Å; S351-C354 WeakPolarHBondContact OG-CB 3.22Å; S351-C354 PolarHBondContact OG-N 3.11Å; S351-T355 PolarHBondContact O-N 3.19Å
352	E	93.9	Very high	93.3	Very high	144 Å²	144	62.1 Å²	62.1	67%	0.673	30%	0.302	S	S	*	.	H	α-helix	trans	-53.5	-42.2	172.8	-175.3	179	-164.2	0	0	111.2	C354 T355 D356	E352-C354 VanDerWaalsContact C-N 3.33Å; E352-C354 PolarHBondContact O-N 3.37Å; E352-T355 PolarHBondContact O-N 3.33Å; E352-D356 WeakPolarHBondContact O-CB 3.36Å; E352-D356 PolarHBondContact O-N 2.73Å
353	F	91.4	Very high	93.3	Very high	86 Å²	86	65.7 Å²	65.7	38%	0.377	32%	0.32	S	S	.	.	H	α-helix	trans	-59.6	-41.8	175.1	176.9	-95.3	0	0	0	112.5	C303 S351 L357	C303-F353 HydrophobicContact CB-CE1 4.44Å; S351-F353 PolarHBondContact O-N 3.22Å; F353-L357 HydrophobicContact CE1-CD2 4.04Å; F353-L357 HydrophobicContact CZ-CD2 4.22Å; F353-L357 WeakPolarHBondContact O-CB 3.36Å; F353-L357 PolarHBondContact O-N 3.06Å
354	C	90.8	Very high	93.1	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-65.2	-48.6	178.5	-170.8	0	0	0	0	111.1	S351 E352 L357 T358	S351-C354 WeakPolarHBondContact O-CA 3.2Å; S351-C354 WeakPolarHBondContact O-CB 3.34Å; S351-C354 PolarHBondContact O-N 3.1Å; S351-C354 VanDerWaalsContact OG-CB 3.3Å; S351-C354 WeakPolarHBondContact OG-CB 3.22Å; S351-C354 PolarHBondContact OG-N 3.11Å; E352-C354 VanDerWaalsContact C-N 3.33Å; E352-C354 PolarHBondContact O-N 3.37Å; C354-L357 PolarHBondContact O-N 2.89Å; C354-T358 PolarHBondContact O-N 2.62Å; C354-T358 PolarHBondContact O-OG1 3.44Å
355	T	92.4	Very high	93	Very high	40 Å²	40	62.7 Å²	62.7	25%	0.245	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-40.6	178.6	-67.1	0	0	0	0	111.6	S351 E352 Q359 I360	S351-T355 PolarHBondContact O-N 3.19Å; E352-T355 PolarHBondContact O-N 3.33Å; T355-Q359 WeakPolarHBondContact O-CA 3.38Å; T355-Q359 PolarHBondContact O-N 3.01Å; T355-I360 WeakPolarHBondContact CG2-O 3.4Å; T355-I360 PolarHBondContact OG1-O 3.13Å
356	D	91.3	Very high	93	Very high	100 Å²	100	57.9 Å²	57.9	54%	0.535	29%	0.294	S	S	.	.	H	α-helix	trans	-67.1	-37.5	175.9	-76.7	-12.8	0	0	0	112.4	E352 Q359	E352-D356 WeakPolarHBondContact O-CB 3.36Å; E352-D356 PolarHBondContact O-N 2.73Å; D356-Q359 PolarHBondContact O-NE2 2.84Å
357	L	88.3	Confident	93.1	Very high	58 Å²	58	57 Å²	57	30%	0.304	29%	0.29	S	S	.	.	H	α-helix	trans	-70.3	-56.3	179.6	-176	65.8	0	0	0	110.6	F353 C354 H462	F353-L357 HydrophobicContact CE1-CD2 4.04Å; F353-L357 HydrophobicContact CZ-CD2 4.22Å; F353-L357 WeakPolarHBondContact O-CB 3.36Å; F353-L357 PolarHBondContact O-N 3.06Å; C354-L357 PolarHBondContact O-N 2.89Å; L357-H462 HydrophobicContact CD1-CB 4.41Å; L357-H462 WeakPolarHBondContact CD1-CD2 2.96Å; L357-H462 HydrophobicContact CG-CB 4.13Å; L357-H462 VanDerWaalsContact O-CB 3.29Å; L357-H462 WeakPolarHBondContact O-CB 3.01Å
358	T	87.3	Confident	93.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-88	-16.1	-170.5	68.2	0	0	0	0	113.8	E300 C354 I360 H462	E300-T358 HydrophobicContact CB-CG2 4.3Å; E300-T358 HydrophobicContact CG-CG2 4.44Å; C354-T358 PolarHBondContact O-N 2.62Å; C354-T358 PolarHBondContact O-OG1 3.44Å; T358-I360 PolarHBondContact O-N 3.1Å; T358-I360 WeakPolarHBondContact OG1-CB 3.29Å; T358-I360 WeakPolarHBondContact OG1-CG1 3.49Å; T358-I360 PolarHBondContact OG1-N 2.88Å; T358-H462 WeakPolarHBondContact CA-O 3.19Å; T358-H462 WeakPolarHBondContact CB-O 3.18Å
359	Q	89.8	Confident	93.3	Very high	87 Å²	87	55.8 Å²	55.8	41%	0.407	28%	0.281	S	S	.	.			trans	60.2	21.4	-172	-57.9	-68.5	-51.7	0	0	113.1	T355 D356 Q460	T355-Q359 WeakPolarHBondContact O-CA 3.38Å; T355-Q359 PolarHBondContact O-N 3.01Å; D356-Q359 PolarHBondContact O-NE2 2.84Å; Q359-Q460 HydrophobicContact CB-CG 4.37Å; Q359-Q460 HydrophobicContact CG-CG 3.97Å
360	I	90.9	Very high	93.3	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.256	C	S	.	.			trans	-87.3	119.3	172.3	-58.1	172.1	0	0	0	108.4	E300 I320 E321 Y341 L350 T355 T358 Q364 V365	E300-I360 HydrophobicContact CB-CD1 4.12Å; E300-I360 HydrophobicContact CG-CD1 4.48Å; I320-I360 HydrophobicContact CD1-CD1 3.9Å; I320-I360 HydrophobicContact CG1-CD1 3.96Å; E321-I360 HydrophobicContact CB-CD1 3.9Å; Y341-I360 HydrophobicContact CD1-CD1 4.34Å; Y341-I360 HydrophobicContact CD1-CG2 4.1Å; Y341-I360 HydrophobicContact CE1-CD1 4.13Å; Y341-I360 HydrophobicContact CE1-CG1 4Å; Y341-I360 HydrophobicContact CE1-CG2 4.09Å; L350-I360 HydrophobicContact CD1-CG2 4.21Å; T355-I360 WeakPolarHBondContact CG2-O 3.4Å; T355-I360 PolarHBondContact OG1-O 3.13Å; T358-I360 PolarHBondContact O-N 3.1Å; T358-I360 WeakPolarHBondContact OG1-CB 3.29Å; T358-I360 WeakPolarHBondContact OG1-CG1 3.49Å; T358-I360 PolarHBondContact OG1-N 2.88Å; I360-Q364 HydrophobicContact CG2-CB 4.23Å; I360-V365 HydrophobicContact CG2-CG1 3.86Å
361	Q	94.1	Very high	93.5	Very high	116 Å²	116	49.9 Å²	49.9	54%	0.542	25%	0.251	S	S	.	.			trans	-80.7	150	178.5	-56.9	-178.8	24.6	0	0	111	I363 Q364	Q361-I363 HydrophobicContact CB-CG2 4Å; Q361-I363 PolarHBondContact O-N 3.32Å; Q361-Q364 HydrophobicContact CB-CG 4.3Å; Q361-Q364 WeakPolarHBondContact O-CB 3.39Å; Q361-Q364 PolarHBondContact O-N 3.18Å
362	Q	96.7	Very high	93.6	Very high	52 Å²	52	50.5 Å²	50.5	24%	0.243	25%	0.254	C	S	.	.	H	α-helix	trans	-52.5	-41.9	178.4	-172.7	59.5	46	0	0	112.6	P348 Q364 V365 D366	P348-Q362 PolarHBondContact O-NE2 3.32Å; Q362-Q364 PolarHBondContact O-N 3.2Å; Q362-Q364 VanDerWaalsContact O-N 3.15Å; Q362-V365 WeakPolarHBondContact O-CG2 3.49Å; Q362-V365 PolarHBondContact O-N 3.38Å; Q362-V365 VanDerWaalsContact O-N 3.17Å; Q362-D366 PolarHBondContact NE2-OD1 3.44Å; Q362-D366 WeakPolarHBondContact O-CB 3.32Å; Q362-D366 VanDerWaalsContact O-CG 3.24Å; Q362-D366 PolarHBondContact O-N 3.07Å
363	I	95.7	Very high	93.8	Very high	75 Å²	75	49.8 Å²	49.8	39%	0.385	25%	0.246	S	C	.	.	H	α-helix	trans	-59.2	-30.4	179.7	-171.1	58.4	0	0	0	113.1	Q361 N367	Q361-I363 HydrophobicContact CB-CG2 4Å; Q361-I363 PolarHBondContact O-N 3.32Å; I363-N367 WeakPolarHBondContact CD1-ND2 3.44Å; I363-N367 WeakPolarHBondContact O-CB 3.1Å; I363-N367 VanDerWaalsContact O-CG 3.3Å; I363-N367 PolarHBondContact O-N 3.44Å; I363-N367 PolarHBondContact O-ND2 2.89Å
364	Q	93.7	Very high	94	Very high	23 Å²	23	45.7 Å²	45.7	11%	0.107	23%	0.228	C	C	.	.	H	α-helix	trans	-71.7	-42.1	-179.9	-60.8	176	-82.8	0	0	111	Y341 I360 Q361 Q362 A368	Y341-Q364 HydrophobicContact CD2-CB 4.1Å; Y341-Q364 HydrophobicContact CE2-CB 4.24Å; Y341-Q364 HydrophobicContact CE2-CG 4.48Å; Y341-Q364 HydrophobicContact CG-CB 4.27Å; Y341-Q364 PolarHBondContact OH-NE2 3.17Å; I360-Q364 HydrophobicContact CG2-CB 4.23Å; Q361-Q364 HydrophobicContact CB-CG 4.3Å; Q361-Q364 WeakPolarHBondContact O-CB 3.39Å; Q361-Q364 PolarHBondContact O-N 3.18Å; Q362-Q364 PolarHBondContact O-N 3.2Å; Q362-Q364 VanDerWaalsContact O-N 3.15Å; Q364-A368 WeakPolarHBondContact O-CB 3.06Å; Q364-A368 PolarHBondContact O-N 2.91Å
365	V	94.9	Very high	94.3	Very high	1 Å²	1	46 Å²	46	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-76.4	-30.1	176.1	-62.5	0	0	0	0	112.4	I320 K343 L350 I360 Q362 N367 A368	I320-V365 HydrophobicContact CB-CG1 4.04Å; I320-V365 HydrophobicContact CG2-CG1 4.21Å; K343-V365 WeakPolarHBondContact CB-O 3.43Å; K343-V365 WeakPolarHBondContact CG-O 3.13Å; L350-V365 HydrophobicContact CD1-CG1 4.04Å; L350-V365 HydrophobicContact CD1-CG2 3.85Å; L350-V365 HydrophobicContact CD2-CG1 4.46Å; L350-V365 HydrophobicContact CD2-CG2 4.31Å; L350-V365 HydrophobicContact CG-CG2 3.9Å; I360-V365 HydrophobicContact CG2-CG1 3.86Å; Q362-V365 WeakPolarHBondContact O-CG2 3.49Å; Q362-V365 PolarHBondContact O-N 3.38Å; Q362-V365 VanDerWaalsContact O-N 3.17Å; V365-N367 VanDerWaalsContact C-N 3.34Å; V365-N367 PolarHBondContact O-N 3.26Å; V365-A368 WeakPolarHBondContact O-CB 3.13Å; V365-A368 PolarHBondContact O-N 3.22Å
366	D	95.8	Very high	94.5	Very high	62 Å²	62	49.3 Å²	49.3	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-40.5	176.5	-75.1	-16.8	0	0	0	112.1	K343 Q362	K343-D366 PolarHBondContact NZ-O 3.13Å; Q362-D366 PolarHBondContact NE2-OD1 3.44Å; Q362-D366 WeakPolarHBondContact O-CB 3.32Å; Q362-D366 VanDerWaalsContact O-CG 3.24Å; Q362-D366 PolarHBondContact O-N 3.07Å
367	N	94.9	Very high	94.7	Very high	74 Å²	74	47.8 Å²	47.8	40%	0.396	24%	0.235	S	C	.	.	S	Bend	trans	-84.4	-7.5	178.5	-68.6	-24.1	0	0	0	113.5	I363 V365	I363-N367 WeakPolarHBondContact CD1-ND2 3.44Å; I363-N367 WeakPolarHBondContact O-CB 3.1Å; I363-N367 VanDerWaalsContact O-CG 3.3Å; I363-N367 PolarHBondContact O-N 3.44Å; I363-N367 PolarHBondContact O-ND2 2.89Å; V365-N367 VanDerWaalsContact C-N 3.34Å; V365-N367 PolarHBondContact O-N 3.26Å
368	A	95.6	Very high	95	Very high	9 Å²	9	45 Å²	45	7%	0.074	22%	0.221	C	C	.	.	S	Bend	trans	-74.6	161.7	179.9	0	0	0	0	0	112.8	Y341 K343 Q364 V365	Y341-A368 WeakPolarHBondContact O-CB 3.32Å; K343-A368 HydrophobicContact CB-CB 4.16Å; K343-A368 WeakPolarHBondContact CB-O 3.34Å; Q364-A368 WeakPolarHBondContact O-CB 3.06Å; Q364-A368 PolarHBondContact O-N 2.91Å; V365-A368 WeakPolarHBondContact O-CB 3.13Å; V365-A368 PolarHBondContact O-N 3.22Å
369	Q	96.6	Very high	95.4	Very high	81 Å²	81	47.8 Å²	47.8	38%	0.379	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	148.8	170	-67.4	-60.7	-42	0	0	110.8	C342 K343 V374	C342-Q369 WeakPolarHBondContact CA-O 3.41Å; K343-Q369 PolarHBondContact N-O 3.36Å; Q369-V374 HydrophobicContact CB-CG2 3.99Å
370	P	97.1	Very high	95.6	Very high	22 Å²	22	48.3 Å²	48.3	14%	0.143	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	147	171.1	-21.7	32.7	0	0	0	111.6	P372 Y373 V374	P370-P372 VanDerWaalsContact C-N 3.34Å; P370-Y373 HydrophobicContact CB-CD2 4.23Å; P370-Y373 HydrophobicContact CG-CD2 4.22Å; P370-Y373 PolarHBondContact O-N 3.49Å; P370-V374 PolarHBondContact O-N 2.85Å
371	F	97.6	Very high	95.7	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-44.4	-43.5	-176.5	175.4	-97	0	0	0	116.1	I319 F322 Y373 V374 L375 M407 Q410	I319-F371 HydrophobicContact CB-CD2 4.43Å; I319-F371 HydrophobicContact CD1-CD2 4.24Å; I319-F371 HydrophobicContact CD1-CE2 3.72Å; I319-F371 HydrophobicContact CD1-CZ 4.41Å; F322-F371 HydrophobicContact CD2-CE2 4.17Å; F322-F371 HydrophobicContact CE2-CE2 4.09Å; F371-Y373 VanDerWaalsContact C-N 3.25Å; F371-Y373 PolarHBondContact O-N 3.3Å; F371-V374 PolarHBondContact O-N 2.75Å; F371-L375 HydrophobicContact CE1-CB 4.43Å; F371-L375 HydrophobicContact CE1-CD2 4.1Å; F371-L375 HydrophobicContact CZ-CB 4.48Å; F371-L375 HydrophobicContact CZ-CD2 4.38Å; F371-L375 WeakPolarHBondContact O-CB 3.38Å; F371-L375 PolarHBondContact O-N 3.3Å; F371-M407 HydrophobicContact CE2-CE 4.47Å; F371-M407 HydrophobicContact CE2-SD 4.05Å; F371-M407 HydrophobicContact CZ-CE 3.97Å; F371-M407 HydrophobicContact CZ-SD 3.99Å; F371-Q410 HydrophobicContact CB-CG 3.88Å; F371-Q410 HydrophobicContact CD1-CG 3.37Å; F371-Q410 HydrophobicContact CD2-CG 3.49Å; F371-Q410 VanDerWaalsContact CD2-CG 3.49Å; F371-Q410 HydrophobicContact CE1-CB 4.38Å; F371-Q410 HydrophobicContact CE1-CG 3.63Å; F371-Q410 HydrophobicContact CE2-CB 4.49Å; F371-Q410 HydrophobicContact CE2-CG 3.74Å; F371-Q410 HydrophobicContact CG-CG 3.28Å; F371-Q410 HydrophobicContact CZ-CB 4.35Å; F371-Q410 HydrophobicContact CZ-CG 3.8Å
372	P	97.2	Very high	95.6	Very high	27 Å²	27	43 Å²	43	18%	0.175	21%	0.211	C	C	.	.	H	α-helix	trans	-53.8	-38.8	176.7	-30.1	37.5	0	0	0	114.6	P370 L376 I416	P370-P372 VanDerWaalsContact C-N 3.34Å; P372-L376 WeakPolarHBondContact O-CG 3.35Å; P372-L376 PolarHBondContact O-N 2.96Å; P372-I416 HydrophobicContact CB-CD1 3.61Å; P372-I416 HydrophobicContact CG-CD1 3.62Å
373	Y	96.9	Very high	95.5	Very high	129 Å²	129	43 Å²	43	51%	0.506	21%	0.211	S	C	.	.	H	α-helix	trans	-74.6	-40.4	179.4	-69.5	-83.3	0	0	0	111.3	P370 F371 L375 L376 Q377	P370-Y373 HydrophobicContact CB-CD2 4.23Å; P370-Y373 HydrophobicContact CG-CD2 4.22Å; P370-Y373 PolarHBondContact O-N 3.49Å; F371-Y373 VanDerWaalsContact C-N 3.25Å; F371-Y373 PolarHBondContact O-N 3.3Å; Y373-L375 VanDerWaalsContact C-N 3.3Å; Y373-L375 PolarHBondContact O-N 3.25Å; Y373-L376 PolarHBondContact O-N 3.47Å; Y373-Q377 WeakPolarHBondContact O-CG 3.36Å; Y373-Q377 PolarHBondContact O-N 2.77Å; Y373-Q377 VanDerWaalsContact O-N 3.1Å
374	V	96.7	Very high	95.3	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-41.9	174.7	179.9	0	0	0	0	110.5	F338 A340 Q369 P370 F371 L376 Q377 I378	F338-V374 HydrophobicContact CE1-CG1 4.23Å; F338-V374 HydrophobicContact CZ-CG1 4.25Å; A340-V374 HydrophobicContact CB-CG1 3.58Å; A340-V374 HydrophobicContact CB-CG2 4.45Å; Q369-V374 HydrophobicContact CB-CG2 3.99Å; P370-V374 PolarHBondContact O-N 2.85Å; F371-V374 PolarHBondContact O-N 2.75Å; V374-L376 PolarHBondContact O-N 2.78Å; V374-Q377 WeakPolarHBondContact O-CB 3.17Å; V374-Q377 PolarHBondContact O-N 3.02Å; V374-I378 HydrophobicContact CG1-CD1 3.97Å; V374-I378 HydrophobicContact CG1-CG1 4.47Å; V374-I378 WeakPolarHBondContact O-CG1 3.38Å; V374-I378 PolarHBondContact O-N 3.1Å
375	L	96.5	Very high	95.1	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-42	176	179.5	61.2	0	0	0	112.2	F371 Y373 Q377 I378 E379 I416 P419 W421	F371-L375 HydrophobicContact CE1-CB 4.43Å; F371-L375 HydrophobicContact CE1-CD2 4.1Å; F371-L375 HydrophobicContact CZ-CB 4.48Å; F371-L375 HydrophobicContact CZ-CD2 4.38Å; F371-L375 WeakPolarHBondContact O-CB 3.38Å; F371-L375 PolarHBondContact O-N 3.3Å; Y373-L375 VanDerWaalsContact C-N 3.3Å; Y373-L375 PolarHBondContact O-N 3.25Å; L375-Q377 VanDerWaalsContact C-N 3.33Å; L375-Q377 PolarHBondContact O-N 3.16Å; L375-I378 WeakPolarHBondContact O-CB 3.48Å; L375-I378 PolarHBondContact O-N 3.48Å; L375-E379 HydrophobicContact CD1-CG 4.37Å; L375-E379 WeakPolarHBondContact O-CG 3.28Å; L375-E379 PolarHBondContact O-N 3.44Å; L375-I416 HydrophobicContact CD2-CG2 4.27Å; L375-P419 HydrophobicContact CD1-CG 3.89Å; L375-P419 HydrophobicContact CD2-CG 3.92Å; L375-P419 HydrophobicContact CG-CG 4.47Å; L375-W421 HydrophobicContact CD1-CZ2 3.92Å
376	L	96	Very high	94.9	Very high	109 Å²	109	53.9 Å²	53.9	57%	0.571	25%	0.251	S	S	*	.	H	α-helix	trans	-61.5	-41.3	175.4	-73.1	171.8	0	0	0	112	P372 Y373 V374 E379 E380	P372-L376 WeakPolarHBondContact O-CG 3.35Å; P372-L376 PolarHBondContact O-N 2.96Å; Y373-L376 PolarHBondContact O-N 3.47Å; V374-L376 PolarHBondContact O-N 2.78Å; L376-E379 PolarHBondContact O-N 2.8Å; L376-E380 WeakPolarHBondContact O-CB 3.3Å; L376-E380 PolarHBondContact O-N 3.25Å
377	Q	95.9	Very high	94.7	Very high	68 Å²	68	58.2 Å²	58.2	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-65.4	-40.4	176.2	-68	170.6	-6.8	0	0	111.8	S89 F338 Y373 V374 L375 E380 W381	S89-Q377 PolarHBondContact OG-OE1 3.3Å; S89-Q377 VanDerWaalsContact OG-OE1 3.13Å; F338-Q377 HydrophobicContact CE2-CB 4.14Å; F338-Q377 HydrophobicContact CZ-CB 4.26Å; Y373-Q377 WeakPolarHBondContact O-CG 3.36Å; Y373-Q377 PolarHBondContact O-N 2.77Å; Y373-Q377 VanDerWaalsContact O-N 3.1Å; V374-Q377 WeakPolarHBondContact O-CB 3.17Å; V374-Q377 PolarHBondContact O-N 3.02Å; L375-Q377 VanDerWaalsContact C-N 3.33Å; L375-Q377 PolarHBondContact O-N 3.16Å; Q377-E380 PolarHBondContact O-N 3.31Å; Q377-W381 VanDerWaalsContact O-CB 3.28Å; Q377-W381 WeakPolarHBondContact O-CB 3.41Å; Q377-W381 PolarHBondContact O-N 3.07Å
378	I	95.3	Very high	94.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.2	-48.8	173.6	-71.9	166.1	0	0	0	110.3	F322 I324 F338 V374 L375 E380 W381 L382 W421	F322-I378 HydrophobicContact CB-CD1 4.43Å; F322-I378 HydrophobicContact CD1-CD1 3.72Å; F322-I378 HydrophobicContact CD2-CD1 3.56Å; F322-I378 HydrophobicContact CE1-CD1 3.8Å; F322-I378 HydrophobicContact CE2-CD1 3.62Å; F322-I378 HydrophobicContact CG-CD1 3.63Å; F322-I378 HydrophobicContact CZ-CD1 3.76Å; I324-I378 HydrophobicContact CD1-CB 4.49Å; I324-I378 HydrophobicContact CD1-CD1 4.31Å; I324-I378 HydrophobicContact CD1-CG1 4.13Å; I324-I378 HydrophobicContact CD1-CG2 3.6Å; F338-I378 HydrophobicContact CD1-CD1 4.39Å; F338-I378 HydrophobicContact CD1-CG1 3.77Å; F338-I378 HydrophobicContact CD2-CG1 4.49Å; F338-I378 HydrophobicContact CE1-CD1 3.82Å; F338-I378 HydrophobicContact CE1-CG1 3.29Å; F338-I378 HydrophobicContact CE2-CG1 4.07Å; F338-I378 HydrophobicContact CG-CG1 4.36Å; F338-I378 HydrophobicContact CZ-CD1 4.33Å; F338-I378 HydrophobicContact CZ-CG1 3.47Å; F338-I378 VanDerWaalsContact CZ-CG1 3.47Å; V374-I378 HydrophobicContact CG1-CD1 3.97Å; V374-I378 HydrophobicContact CG1-CG1 4.47Å; V374-I378 WeakPolarHBondContact O-CG1 3.38Å; V374-I378 PolarHBondContact O-N 3.1Å; L375-I378 WeakPolarHBondContact O-CB 3.48Å; L375-I378 PolarHBondContact O-N 3.48Å; I378-E380 PolarHBondContact O-N 3.14Å; I378-W381 WeakPolarHBondContact O-CB 3.29Å; I378-W381 PolarHBondContact O-N 2.93Å; I378-L382 HydrophobicContact CG2-CD1 3.54Å; I378-L382 HydrophobicContact CG2-CG 4.19Å; I378-L382 WeakPolarHBondContact O-CB 3.36Å; I378-L382 WeakPolarHBondContact O-CG 3.33Å; I378-L382 PolarHBondContact O-N 2.92Å; I378-W421 HydrophobicContact CG2-CH2 4Å; I378-W421 HydrophobicContact CG2-CZ2 3.96Å
379	E	94.8	Very high	94	Very high	58 Å²	58	56.1 Å²	56.1	27%	0.271	26%	0.26	S	S	.	.	H	α-helix	trans	-67.2	-36.2	-179	-69.5	-170	150.9	0	0	112.6	L375 L376 F383 W421	L375-E379 HydrophobicContact CD1-CG 4.37Å; L375-E379 WeakPolarHBondContact O-CG 3.28Å; L375-E379 PolarHBondContact O-N 3.44Å; L376-E379 PolarHBondContact O-N 2.8Å; E379-F383 HydrophobicContact CB-CD2 3.95Å; E379-F383 HydrophobicContact CB-CE2 3.98Å; E379-F383 HydrophobicContact CG-CD2 4.41Å; E379-F383 HydrophobicContact CG-CE2 3.93Å; E379-F383 WeakPolarHBondContact O-CB 3.26Å; E379-F383 WeakPolarHBondContact O-CD2 3.44Å; E379-F383 WeakPolarHBondContact O-CG 3.28Å; E379-F383 PolarHBondContact O-N 3.48Å; E379-W421 PolarHBondContact OE1-NE1 2.96Å
380	E	94.4	Very high	93.5	Very high	98 Å²	98	58.5 Å²	58.5	46%	0.458	28%	0.275	S	S	.	.	I	π-helix	trans	-61.3	-46.3	170.5	171.1	144.9	-120.3	0	0	111.8	L376 Q377 I378 K384 R385	L376-E380 WeakPolarHBondContact O-CB 3.3Å; L376-E380 PolarHBondContact O-N 3.25Å; Q377-E380 PolarHBondContact O-N 3.31Å; I378-E380 PolarHBondContact O-N 3.14Å; E380-K384 HydrophobicContact CG-CD 4.1Å; E380-K384 WeakPolarHBondContact O-CA 3.29Å; E380-K384 VanDerWaalsContact O-CB 3.3Å; E380-K384 WeakPolarHBondContact O-CB 3.18Å; E380-K384 PolarHBondContact O-N 3.47Å; E380-K384 WeakPolarHBondContact OE1-CD 3.46Å; E380-K384 IonicContact OE1-NZ 3.78Å; E380-K384 PolarHBondContact OE1-NZ 3.48Å; E380-R385 PolarHBondContact O-N 3.3Å
381	W	93.8	Very high	93	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.015	29%	0.287	C	S	.	.	I	π-helix	trans	-62.7	-45.3	177.3	-175.1	84.6	0	0	0	112.3	D92 I324 L326 S336 F338 Q377 I378 R385 H386	D92-W381 VanDerWaalsContact OD2-CD1 3.22Å; D92-W381 PolarHBondContact OD2-NE1 3.21Å; I324-W381 HydrophobicContact CB-CZ3 4.45Å; I324-W381 HydrophobicContact CG2-CH2 4.47Å; I324-W381 HydrophobicContact CG2-CZ3 4.15Å; L326-W381 HydrophobicContact CB-CH2 3.66Å; L326-W381 HydrophobicContact CB-CZ2 4.47Å; L326-W381 HydrophobicContact CB-CZ3 4.33Å; L326-W381 HydrophobicContact CD2-CH2 4.3Å; S336-W381 WeakPolarHBondContact OG-CZ2 3.28Å; F338-W381 HydrophobicContact CB-CD2 4.03Å; F338-W381 HydrophobicContact CB-CE3 4.19Å; F338-W381 HydrophobicContact CB-CH2 4.08Å; F338-W381 HydrophobicContact CB-CZ2 3.93Å; F338-W381 HydrophobicContact CB-CZ3 4.24Å; F338-W381 HydrophobicContact CD2-CB 4.23Å; F338-W381 HydrophobicContact CD2-CD2 4.37Å; F338-W381 HydrophobicContact CD2-CG 4.09Å; Q377-W381 VanDerWaalsContact O-CB 3.28Å; Q377-W381 WeakPolarHBondContact O-CB 3.41Å; Q377-W381 PolarHBondContact O-N 3.07Å; I378-W381 WeakPolarHBondContact O-CB 3.29Å; I378-W381 PolarHBondContact O-N 2.93Å; W381-R385 WeakPolarHBondContact O-CB 3.44Å; W381-H386 AromaticContact CD2-CD2 3.52Å; W381-H386 AromaticContact CD2-NE2 3.88Å; W381-H386 AromaticContact CE2-CD2 3.38Å; W381-H386 AromaticContact CE2-NE2 3.22Å; W381-H386 AromaticContact CE3-CD2 3.92Å; W381-H386 AromaticContact CZ2-CD2 3.77Å; W381-H386 AromaticContact CZ2-NE2 3.47Å; W381-H386 WeakPolarHBondContact CZ2-NE2 3.49Å; W381-H386 AromaticContact NE1-CD2 3.68Å; W381-H386 AromaticContact NE1-NE2 3.28Å; W381-H386 PolarHBondContact NE1-NE2 3.46Å; W381-H386 PolarHBondContact O-CD2 3.38Å; W381-H386 VanDerWaalsContact O-CD2 3.29Å; W381-H386 PolarHBondContact O-N 3.4Å
382	L	92.4	Very high	92.6	Very high	0 Å²	0	66 Å²	66	0%	0	30%	0.303	C	S	.	.	I	π-helix	trans	-68.6	-50.2	179.8	-68.7	169.8	0	0	0	112.7	L295 I378 K387 L388 W421 M515	L295-L382 HydrophobicContact CD2-CD1 4.36Å; L295-L382 HydrophobicContact CD2-CD2 3.54Å; L295-L382 HydrophobicContact CG-CD2 4.39Å; I378-L382 HydrophobicContact CG2-CD1 3.54Å; I378-L382 HydrophobicContact CG2-CG 4.19Å; I378-L382 WeakPolarHBondContact O-CB 3.36Å; I378-L382 WeakPolarHBondContact O-CG 3.33Å; I378-L382 PolarHBondContact O-N 2.92Å; L382-K387 PolarHBondContact O-N 3.37Å; L382-L388 HydrophobicContact CD2-CD1 3.8Å; L382-L388 WeakPolarHBondContact O-CB 3.07Å; L382-L388 WeakPolarHBondContact O-CG 3.45Å; L382-L388 PolarHBondContact O-N 3.25Å; L382-W421 HydrophobicContact CD1-CD2 4.44Å; L382-W421 HydrophobicContact CD1-CE3 4.48Å; L382-W421 HydrophobicContact CD1-CH2 4.36Å; L382-W421 HydrophobicContact CD1-CZ2 4.27Å; L382-W421 HydrophobicContact CD1-CZ3 4.45Å; L382-M515 HydrophobicContact CB-CE 4.39Å; L382-M515 HydrophobicContact CD1-CE 3.7Å; L382-M515 HydrophobicContact CD2-CE 4.06Å; L382-M515 HydrophobicContact CD2-SD 4.5Å; L382-M515 HydrophobicContact CG-CE 4.27Å
383	F	93.5	Very high	92.4	Very high	54 Å²	54	65.4 Å²	65.4	24%	0.237	30%	0.299	C	S	.	.	I	π-helix	trans	-96.3	-34.8	-166.4	-56.5	-44.6	0	0	0	114.1	E379 K387 A389 W421 M515	E379-F383 HydrophobicContact CB-CD2 3.95Å; E379-F383 HydrophobicContact CB-CE2 3.98Å; E379-F383 HydrophobicContact CG-CD2 4.41Å; E379-F383 HydrophobicContact CG-CE2 3.93Å; E379-F383 WeakPolarHBondContact O-CB 3.26Å; E379-F383 WeakPolarHBondContact O-CD2 3.44Å; E379-F383 WeakPolarHBondContact O-CG 3.28Å; E379-F383 PolarHBondContact O-N 3.48Å; F383-K387 WeakPolarHBondContact O-CA 3.43Å; F383-A389 HydrophobicContact CD1-CB 4.32Å; F383-W421 AromaticContact CZ-CD1 3.64Å; F383-W421 HydrophobicContact CZ-CG 4.12Å; F383-M515 HydrophobicContact CD1-CB 4.39Å; F383-M515 HydrophobicContact CD1-SD 4.46Å; F383-M515 HydrophobicContact CE1-CB 3.44Å; F383-M515 VanDerWaalsContact CE1-CB 3.44Å; F383-M515 HydrophobicContact CE1-CE 3.94Å; F383-M515 HydrophobicContact CE1-CG 4.15Å; F383-M515 HydrophobicContact CE1-SD 3.7Å; F383-M515 HydrophobicContact CZ-CB 4.14Å; F383-M515 HydrophobicContact CZ-CE 4.2Å
384	K	91	Very high	92.3	Very high	138 Å²	138	59.6 Å²	59.6	60%	0.6	28%	0.278	S	S	*	.	I	π-helix	trans	-92.4	-52.7	179.6	-56.1	-176.6	-166.9	164.3	0	111	E380	E380-K384 HydrophobicContact CG-CD 4.1Å; E380-K384 WeakPolarHBondContact O-CA 3.29Å; E380-K384 VanDerWaalsContact O-CB 3.3Å; E380-K384 WeakPolarHBondContact O-CB 3.18Å; E380-K384 PolarHBondContact O-N 3.47Å; E380-K384 WeakPolarHBondContact OE1-CD 3.46Å; E380-K384 IonicContact OE1-NZ 3.78Å; E380-K384 PolarHBondContact OE1-NZ 3.48Å
385	R	90.8	Very high	92.3	Very high	142 Å²	142	59.9 Å²	59.9	54%	0.536	28%	0.279	S	S	.	.	I	π-helix	trans	-70.8	-55.5	-175.8	-173	174.9	-175.7	152.3	-1.8	111.9	D92 E380 W381	D92-R385 IonicContact OD1-CZ 3.07Å; D92-R385 IonicContact OD1-NE 3.48Å; D92-R385 IonicContact OD1-NH2 3.5Å; D92-R385 WeakPolarHBondContact OD2-CD 3.48Å; D92-R385 IonicContact OD2-CZ 3.49Å; D92-R385 IonicContact OD2-NE 2.87Å; D92-R385 PolarHBondContact OD2-NE 3.42Å; D92-R385 IonicContact OD2-NH1 3.86Å; D92-R385 PolarHBondContact OD2-NH1 3.37Å; D92-R385 IonicContact OD2-NH2 3.4Å; D92-R385 PolarHBondContact OD2-NH2 3.36Å; E380-R385 PolarHBondContact O-N 3.3Å; W381-R385 WeakPolarHBondContact O-CB 3.44Å
386	H	89.8	Confident	92.4	Very high	47 Å²	47	59.5 Å²	59.5	22%	0.218	28%	0.277	C	S	.	.	S	Bend	trans	-89.8	-2	-178.7	-70.8	-64.2	0	0	0	114.7	D92 L326 S336 W381 L388	D92-H386 IonicContact OD1-CE1 3.6Å; D92-H386 IonicContact OD1-NE2 3.54Å; L326-H386 HydrophobicContact CD2-CB 4.05Å; S336-H386 WeakPolarHBondContact CB-CE1 3.07Å; S336-H386 WeakPolarHBondContact CB-NE2 3.23Å; S336-H386 PolarHBondContact OG-NE2 3.4Å; W381-H386 AromaticContact CD2-CD2 3.52Å; W381-H386 AromaticContact CD2-NE2 3.88Å; W381-H386 AromaticContact CE2-CD2 3.38Å; W381-H386 AromaticContact CE2-NE2 3.22Å; W381-H386 AromaticContact CE3-CD2 3.92Å; W381-H386 AromaticContact CZ2-CD2 3.77Å; W381-H386 AromaticContact CZ2-NE2 3.47Å; W381-H386 WeakPolarHBondContact CZ2-NE2 3.49Å; W381-H386 AromaticContact NE1-CD2 3.68Å; W381-H386 AromaticContact NE1-NE2 3.28Å; W381-H386 PolarHBondContact NE1-NE2 3.46Å; W381-H386 PolarHBondContact O-CD2 3.38Å; W381-H386 VanDerWaalsContact O-CD2 3.29Å; W381-H386 PolarHBondContact O-N 3.4Å; H386-L388 HydrophobicContact CB-CD1 4.09Å; H386-L388 HydrophobicContact CB-CD2 4.09Å; H386-L388 HydrophobicContact CB-CG 3.72Å; H386-L388 WeakPolarHBondContact O-CD2 3.32Å; H386-L388 PolarHBondContact O-N 3.33Å; H386-L388 VanDerWaalsContact O-N 3.14Å
387	K	92	Very high	92.4	Very high	153 Å²	153	54.3 Å²	54.3	67%	0.665	25%	0.251	S	S	*	.			trans	51.5	37.7	175.7	-57.6	179.7	-177.2	174.8	0	113.5	L382 F383 A389	L382-K387 PolarHBondContact O-N 3.37Å; F383-K387 WeakPolarHBondContact O-CA 3.43Å; K387-A389 VanDerWaalsContact C-N 3.28Å; K387-A389 PolarHBondContact O-N 2.89Å
388	L	90.9	Very high	92.4	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-78.7	-6.8	-172.3	-59.3	-179	0	0	0	114.5	Y293 L326 L382 H386 N390 K391 M515	Y293-L388 HydrophobicContact CD2-CD2 3.53Å; Y293-L388 HydrophobicContact CE2-CD2 3.72Å; Y293-L388 HydrophobicContact CG-CD2 4.08Å; L326-L388 HydrophobicContact CD1-CD1 3.71Å; L326-L388 HydrophobicContact CD2-CD1 4.18Å; L382-L388 HydrophobicContact CD2-CD1 3.8Å; L382-L388 WeakPolarHBondContact O-CB 3.07Å; L382-L388 WeakPolarHBondContact O-CG 3.45Å; L382-L388 PolarHBondContact O-N 3.25Å; H386-L388 HydrophobicContact CB-CD1 4.09Å; H386-L388 HydrophobicContact CB-CD2 4.09Å; H386-L388 HydrophobicContact CB-CG 3.72Å; H386-L388 WeakPolarHBondContact O-CD2 3.32Å; H386-L388 PolarHBondContact O-N 3.33Å; H386-L388 VanDerWaalsContact O-N 3.14Å; L388-N390 PolarHBondContact O-N 3.06Å; L388-N390 VanDerWaalsContact O-N 3.13Å; L388-K391 HydrophobicContact CD2-CB 4.43Å; L388-K391 HydrophobicContact CD2-CG 4.31Å; L388-K391 PolarHBondContact O-N 3.22Å; L388-M515 HydrophobicContact CB-SD 3.54Å; L388-M515 VanDerWaalsContact CB-SD 3.54Å; L388-M515 HydrophobicContact CD1-SD 4Å; L388-M515 HydrophobicContact CG-SD 4.44Å
389	A	85.8	Confident	92.2	Very high	37 Å²	37	54 Å²	54	31%	0.306	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-52.6	-39.4	-177.5	0	0	0	0	0	112.7	F383 K387 L514	F383-A389 HydrophobicContact CD1-CB 4.32Å; K387-A389 VanDerWaalsContact C-N 3.28Å; K387-A389 PolarHBondContact O-N 2.89Å; A389-L514 WeakPolarHBondContact O-CB 3.39Å; A389-L514 VanDerWaalsContact O-CD2 3.3Å; A389-L514 WeakPolarHBondContact O-CD2 3.41Å; A389-L514 VanDerWaalsContact O-CG 3.23Å; A389-L514 WeakPolarHBondContact O-CG 3.22Å
390	N	84.2	Confident	92.2	Very high	132 Å²	132	52.7 Å²	52.7	71%	0.706	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-100.5	11.4	-179.2	-64.4	-33.9	0	0	0	114	L388 L514	L388-N390 PolarHBondContact O-N 3.06Å; L388-N390 VanDerWaalsContact O-N 3.13Å; N390-L514 HydrophobicContact CB-CD2 4.45Å; N390-L514 WeakPolarHBondContact OD1-CD2 3.35Å
391	K	87.8	Confident	92.1	Very high	89 Å²	89	49.3 Å²	49.3	39%	0.387	24%	0.24	S	C	.	.	S	Bend	trans	-102	154.4	-179.4	-60.7	-61.1	-175.3	-178.1	0	111	D292 Y293 L388 C393	D292-K391 HydrophobicContact CB-CB 4.39Å; Y293-K391 HydrophobicContact CD2-CB 4.27Å; Y293-K391 HydrophobicContact CD2-CG 4.46Å; Y293-K391 HydrophobicContact CE2-CG 4.24Å; L388-K391 HydrophobicContact CD2-CB 4.43Å; L388-K391 HydrophobicContact CD2-CG 4.31Å; L388-K391 PolarHBondContact O-N 3.22Å; K391-C393 PolarHBondContact O-N 2.78Å
392	R	89.6	Confident	92.1	Very high	92 Å²	92	49.3 Å²	49.3	35%	0.347	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-83	101.2	175	-66.2	177.4	58.4	157.8	5.4	108.5	F290 Y291 D292 Y293 S512	F290-R392 PolarHBondContact O-NE 3.04Å; F290-R392 PolarHBondContact O-NH2 3.14Å; Y291-R392 CarbonylContact C-O 3.47Å; Y291-R392 VanDerWaalsContact CA-O 3.32Å; Y291-R392 WeakPolarHBondContact CA-O 3.29Å; Y291-R392 WeakPolarHBondContact CB-O 3.47Å; D292-R392 PolarHBondContact N-O 3.29Å; D292-R392 WeakPolarHBondContact OD2-CB 3.3Å; D292-R392 PolarHBondContact OD2-N 3.17Å; Y293-R392 PolarHBondContact N-O 3.46Å; R392-S512 VanDerWaalsContact CZ-CB 3.48Å; R392-S512 PolarHBondContact NE-OG 3.05Å; R392-S512 PolarHBondContact NH2-OG 3.37Å
393	C	92.8	Very high	92.1	Very high	14 Å²	14	49.3 Å²	49.3	10%	0.095	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	157.5	-177.6	-57.8	0	0	0	0	111.6	Y293 L295 K391 M515	Y293-C393 VanDerWaalsContact O-CA 3.3Å; Y293-C393 WeakPolarHBondContact O-CA 3.08Å; L295-C393 HydrophobicContact CD1-CB 3.82Å; K391-C393 PolarHBondContact O-N 2.78Å; C393-M515 HydrophobicContact CB-CG 3.75Å; C393-M515 HydrophobicContact CB-SD 4.13Å
394	A	94.3	Very high	92.1	Very high	8 Å²	8	47.1 Å²	47.1	7%	0.066	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	140.2	167.6	0	0	0	0	0	111.2	Y291 Y293 L294 L295 I426 V487	Y291-A394 HydrophobicContact CD1-CB 3.91Å; Y291-A394 HydrophobicContact CD2-CB 4.1Å; Y291-A394 HydrophobicContact CE1-CB 3.78Å; Y291-A394 HydrophobicContact CE2-CB 3.95Å; Y291-A394 HydrophobicContact CG-CB 4.09Å; Y293-A394 PolarHBondContact O-N 3.41Å; L294-A394 CarbonylContact C-O 3.57Å; L294-A394 WeakPolarHBondContact CA-O 3.5Å; L294-A394 HydrophobicContact CD2-CB 4.07Å; L295-A394 PolarHBondContact N-O 3.44Å; A394-I426 HydrophobicContact CB-CD1 3.92Å; A394-I426 HydrophobicContact CB-CG1 4.16Å; A394-V487 HydrophobicContact CB-CG1 4.14Å
395	I	97	Very high	92.1	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	139.4	168	-60.6	174.2	0	0	0	109.1	L295 I297 C397 M403 W421 V422 W425 I426	L295-I395 HydrophobicContact CB-CG1 4.44Å; L295-I395 CarbonylContact O-C 3.42Å; L295-I395 WeakPolarHBondContact O-CA 3.36Å; I297-I395 HydrophobicContact CB-CG2 4.48Å; I297-I395 HydrophobicContact CD1-CD1 4.41Å; I297-I395 HydrophobicContact CD1-CG1 4.32Å; I297-I395 HydrophobicContact CD1-CG2 3.94Å; I297-I395 HydrophobicContact CG1-CG2 4.34Å; I395-C397 VanDerWaalsContact CG2-SG 3.59Å; I395-M403 HydrophobicContact CD1-SD 3.85Å; I395-M403 HydrophobicContact CG2-SD 4.4Å; I395-W421 HydrophobicContact CD1-CE3 3.74Å; I395-W421 HydrophobicContact CD1-CZ3 3.85Å; I395-W421 WeakPolarHBondContact CD1-O 3.48Å; I395-W421 HydrophobicContact CG1-CE3 4.45Å; I395-V422 HydrophobicContact CD1-CB 4.47Å; I395-V422 HydrophobicContact CD1-CG1 4.25Å; I395-W425 HydrophobicContact CB-CB 3.94Å; I395-W425 HydrophobicContact CG2-CB 4.06Å; I395-I426 PolarHBondContact O-N 3.38Å
396	V	98	Very high	92.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.3	170.1	-171	0	0	0	0	108.5	L294 L295 I296 I297 I426 L428 I471 V475	L294-V396 HydrophobicContact CB-CG2 4.09Å; L294-V396 HydrophobicContact CD1-CG2 4.33Å; L294-V396 HydrophobicContact CD2-CG2 4.1Å; L294-V396 HydrophobicContact CG-CG2 4.4Å; L295-V396 PolarHBondContact O-N 2.86Å; I296-V396 HydrophobicContact CD1-CB 3.71Å; I296-V396 HydrophobicContact CD1-CG1 4.36Å; I296-V396 HydrophobicContact CD1-CG2 3.84Å; I297-V396 PolarHBondContact N-O 3.38Å; V396-I426 WeakPolarHBondContact CA-O 3.43Å; V396-I426 HydrophobicContact CB-CB 4.49Å; V396-I426 HydrophobicContact CG1-CB 4.38Å; V396-I426 HydrophobicContact CG2-CB 4.15Å; V396-I426 HydrophobicContact CG2-CD1 4.13Å; V396-I426 HydrophobicContact CG2-CG1 4.41Å; V396-L428 HydrophobicContact CG1-CB 4.16Å; V396-L428 HydrophobicContact CG1-CD1 4.2Å; V396-I471 HydrophobicContact CG1-CG2 4.28Å; V396-V475 HydrophobicContact CG1-CG2 3.97Å
397	C	96.6	Very high	92.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	156.5	173.1	-60.2	0	0	0	0	108.8	I297 I395 C399 D402 I426 L428	I297-C397 PolarHBondContact O-SG 3.12Å; I395-C397 VanDerWaalsContact CG2-SG 3.59Å; C397-C399 VanDerWaalsContact C-N 3.27Å; C397-C399 PolarHBondContact O-N 3.1Å; C397-D402 HydrophobicContact CB-CB 4.26Å; C397-D402 WeakPolarHBondContact CB-OD2 3.45Å; C397-I426 PolarHBondContact N-O 3.31Å; C397-I426 VanDerWaalsContact N-O 3.09Å; C397-L428 VanDerWaalsContact O-CB 3.28Å; C397-L428 WeakPolarHBondContact O-CB 3.49Å; C397-L428 PolarHBondContact O-N 3Å
398	D	95	Very high	92.7	Very high	23 Å²	23	30.8 Å²	30.8	12%	0.123	16%	0.163	C	C	.	.	S	Bend	trans	-66.1	-36.1	178.3	94.8	-36.2	0	0	0	110.9	N427 T429 I471	D398-N427 PolarHBondContact O-OD1 3.14Å; D398-T429 WeakPolarHBondContact O-CG2 3.29Å; D398-T429 PolarHBondContact O-N 3.34Å; D398-T429 VanDerWaalsContact O-N 3.16Å; D398-T429 PolarHBondContact O-OG1 2.74Å; D398-I471 HydrophobicContact CB-CD1 3.74Å; D398-I471 HydrophobicContact CB-CG1 3.98Å
399	C	92.7	Very high	92.8	Very high	39 Å²	39	31.8 Å²	31.8	26%	0.264	17%	0.168	S	C	.	.	S	Bend	trans	-137	-161.9	-176.1	75.9	0	0	0	0	111.8	C397 A401	C397-C399 VanDerWaalsContact C-N 3.27Å; C397-C399 PolarHBondContact O-N 3.1Å; C399-A401 PolarHBondContact SG-N 3.21Å; C399-A401 VanDerWaalsContact SG-N 3.36Å
400	S	93.6	Very high	93.3	Very high	29 Å²	29	30.5 Å²	30.5	20%	0.203	16%	0.155	C	C	.	.	S	Bend	trans	-92.2	-17.2	179.3	-53.7	0	0	0	0	113	D402 S404 N427 E489	S400-D402 PolarHBondContact O-N 2.67Å; S400-S404 VanDerWaalsContact O-CB 3.26Å; S400-S404 WeakPolarHBondContact O-CB 3.33Å; S400-S404 PolarHBondContact O-N 2.84Å; S400-S404 PolarHBondContact O-OG 2.87Å; S400-N427 PolarHBondContact OG-ND2 3.49Å; S400-N427 VanDerWaalsContact OG-ND2 3.13Å; S400-E489 VanDerWaalsContact CB-OE2 3.3Å; S400-E489 WeakPolarHBondContact CB-OE2 3.36Å; S400-E489 PolarHBondContact OG-OE1 3.04Å; S400-E489 PolarHBondContact OG-OE2 3.36Å
401	A	92	Very high	93.9	Very high	28 Å²	28	24.2 Å²	24.2	23%	0.231	12%	0.122	C	C	.	.	H	α-helix	trans	-66.6	-39.2	-163.1	0	0	0	0	0	112.4	C399 M403 K405 F406	C399-A401 PolarHBondContact SG-N 3.21Å; C399-A401 VanDerWaalsContact SG-N 3.36Å; A401-M403 PolarHBondContact O-N 3.29Å; A401-K405 CarbonylContact O-C 3.52Å; A401-K405 VanDerWaalsContact O-CA 3.29Å; A401-K405 WeakPolarHBondContact O-CA 3.31Å; A401-K405 WeakPolarHBondContact O-CB 3.46Å; A401-K405 PolarHBondContact O-N 3.34Å; A401-F406 HydrophobicContact CB-CD2 4.31Å; A401-F406 HydrophobicContact CB-CE2 3.91Å; A401-F406 PolarHBondContact O-N 2.88Å
402	D	94.2	Very high	94.2	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.016	14%	0.14	C	C	.	.	I	π-helix	trans	-51.9	-58.3	-178.4	-53.2	-77.3	0	0	0	111.8	L299 C397 S400 F406 M407	L299-D402 HydrophobicContact CD1-CB 4.08Å; L299-D402 HydrophobicContact CG-CB 4.2Å; L299-D402 PolarHBondContact N-OD1 2.88Å; C397-D402 HydrophobicContact CB-CB 4.26Å; C397-D402 WeakPolarHBondContact CB-OD2 3.45Å; S400-D402 PolarHBondContact O-N 2.67Å; D402-F406 PolarHBondContact O-N 3.03Å; D402-M407 WeakPolarHBondContact O-CB 3.4Å; D402-M407 WeakPolarHBondContact O-CG 3.47Å; D402-M407 PolarHBondContact O-N 3.09Å
403	M	93.6	Very high	94.4	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.143	C	C	.	.	I	π-helix	trans	-82.8	-43.9	-175.4	-60.2	-59.2	105	0	0	112.1	I297 L299 I395 A401 M407 V422 W425	I297-M403 HydrophobicContact CG2-CE 4.17Å; L299-M403 HydrophobicContact CD1-CE 3.99Å; I395-M403 HydrophobicContact CD1-SD 3.85Å; I395-M403 HydrophobicContact CG2-SD 4.4Å; A401-M403 PolarHBondContact O-N 3.29Å; M403-M407 HydrophobicContact CE-CG 3.61Å; M403-M407 HydrophobicContact SD-CG 4.04Å; M403-V422 HydrophobicContact SD-CB 3.95Å; M403-V422 HydrophobicContact SD-CG1 4.11Å; M403-W425 HydrophobicContact CB-CD2 3.66Å; M403-W425 HydrophobicContact CB-CE3 3.4Å; M403-W425 HydrophobicContact CB-CG 4.38Å; M403-W425 HydrophobicContact CB-CH2 3.95Å; M403-W425 HydrophobicContact CB-CZ2 4.16Å; M403-W425 HydrophobicContact CB-CZ3 3.55Å; M403-W425 HydrophobicContact CG-CB 4.27Å; M403-W425 HydrophobicContact CG-CD2 3.81Å; M403-W425 HydrophobicContact CG-CE3 3.78Å; M403-W425 HydrophobicContact CG-CG 4.01Å; M403-W425 HydrophobicContact CG-CZ3 4.43Å
404	S	91.8	Very high	94.6	Very high	8 Å²	8	29.4 Å²	29.4	6%	0.056	15%	0.146	C	C	.	.	I	π-helix	trans	-82.3	-22	-172.1	73.2	0	0	0	0	114.6	S400 R408 V500	S400-S404 VanDerWaalsContact O-CB 3.26Å; S400-S404 WeakPolarHBondContact O-CB 3.33Å; S400-S404 PolarHBondContact O-N 2.84Å; S400-S404 PolarHBondContact O-OG 2.87Å; S404-R408 PolarHBondContact O-NE 3.34Å; S404-R408 PolarHBondContact O-NH2 3.48Å; S404-V500 WeakPolarHBondContact OG-CG2 3.32Å
405	K	91.5	Very high	94.7	Very high	68 Å²	68	36.5 Å²	36.5	30%	0.296	18%	0.183	S	C	.	.	I	π-helix	trans	-114.3	-68.1	-179.7	-170.4	-178.2	177.4	-169.1	0	110.7	H317 A401 R408 I409	H317-K405 VanDerWaalsContact CD2-CE 3.45Å; H317-K405 WeakPolarHBondContact CD2-CE 3.44Å; H317-K405 PolarHBondContact CD2-NZ 3.02Å; H317-K405 PolarHBondContact NE2-NZ 3.18Å; A401-K405 CarbonylContact O-C 3.52Å; A401-K405 VanDerWaalsContact O-CA 3.29Å; A401-K405 WeakPolarHBondContact O-CA 3.31Å; A401-K405 WeakPolarHBondContact O-CB 3.46Å; A401-K405 PolarHBondContact O-N 3.34Å; K405-R408 PolarHBondContact O-N 2.91Å; K405-I409 HydrophobicContact CG-CD1 3.68Å; K405-I409 WeakPolarHBondContact O-CB 3.4Å; K405-I409 WeakPolarHBondContact O-CG1 3.46Å; K405-I409 PolarHBondContact O-N 2.58Å
406	F	94.8	Very high	94.6	Very high	35 Å²	35	39 Å²	39	15%	0.154	20%	0.196	C	C	.	.	I	π-helix	trans	-66.7	-53.7	-169.6	-59	-51.6	0	0	0	112.7	L299 A301 H317 I319 A401 D402 R408 I409 Q410	L299-F406 HydrophobicContact CB-CD2 4.49Å; L299-F406 HydrophobicContact CD1-CB 4.26Å; A301-F406 HydrophobicContact CB-CD1 3.58Å; A301-F406 HydrophobicContact CB-CE1 3.65Å; A301-F406 HydrophobicContact CB-CG 4.15Å; A301-F406 HydrophobicContact CB-CZ 4.26Å; H317-F406 HydrophobicContact CB-CD1 3.96Å; H317-F406 HydrophobicContact CB-CE1 4.01Å; H317-F406 AromaticContact CG-CE1 3.86Å; I319-F406 HydrophobicContact CD1-CB 4.42Å; I319-F406 HydrophobicContact CG1-CB 4.11Å; A401-F406 HydrophobicContact CB-CD2 4.31Å; A401-F406 HydrophobicContact CB-CE2 3.91Å; A401-F406 PolarHBondContact O-N 2.88Å; D402-F406 PolarHBondContact O-N 3.03Å; F406-R408 VanDerWaalsContact C-N 3.32Å; F406-R408 PolarHBondContact O-N 3.38Å; F406-I409 PolarHBondContact O-N 3Å; F406-Q410 VanDerWaalsContact O-CB 3.26Å; F406-Q410 WeakPolarHBondContact O-CB 3.37Å; F406-Q410 PolarHBondContact O-N 3.12Å
407	M	95.6	Very high	94.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	-58.1	-44.7	176	-76.4	-60.6	-77.1	0	0	112.2	L299 I319 F322 F371 D402 M403 Q410 C411 M418 V422	L299-M407 HydrophobicContact CD1-CG 3.6Å; L299-M407 HydrophobicContact CD1-SD 3.9Å; I319-M407 HydrophobicContact CD1-CG 4.37Å; I319-M407 HydrophobicContact CD1-SD 3.55Å; I319-M407 VanDerWaalsContact CD1-SD 3.55Å; F322-M407 HydrophobicContact CE2-CE 4.02Å; F322-M407 HydrophobicContact CE2-SD 3.58Å; F322-M407 VanDerWaalsContact CE2-SD 3.58Å; F322-M407 HydrophobicContact CZ-CE 4.26Å; F322-M407 HydrophobicContact CZ-SD 4.04Å; F371-M407 HydrophobicContact CE2-CE 4.47Å; F371-M407 HydrophobicContact CE2-SD 4.05Å; F371-M407 HydrophobicContact CZ-CE 3.97Å; F371-M407 HydrophobicContact CZ-SD 3.99Å; D402-M407 WeakPolarHBondContact O-CB 3.4Å; D402-M407 WeakPolarHBondContact O-CG 3.47Å; D402-M407 PolarHBondContact O-N 3.09Å; M403-M407 HydrophobicContact CE-CG 3.61Å; M403-M407 HydrophobicContact SD-CG 4.04Å; M407-Q410 PolarHBondContact O-N 2.74Å; M407-C411 WeakPolarHBondContact O-CB 3.27Å; M407-C411 PolarHBondContact O-N 3.45Å; M407-C411 PolarHBondContact O-SG 2.87Å; M407-M418 HydrophobicContact CB-CE 4.06Å; M407-M418 HydrophobicContact CB-SD 4.36Å; M407-V422 HydrophobicContact CE-CG1 3.82Å
408	R	94.3	Very high	94.2	Very high	34 Å²	34	45.5 Å²	45.5	13%	0.128	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-47.6	179.1	-175.9	-177.1	55.1	75.8	4.8	112.1	S404 K405 F406 R412 I491 F493 F499	S404-R408 PolarHBondContact O-NE 3.34Å; S404-R408 PolarHBondContact O-NH2 3.48Å; K405-R408 PolarHBondContact O-N 2.91Å; F406-R408 VanDerWaalsContact C-N 3.32Å; F406-R408 PolarHBondContact O-N 3.38Å; R408-R412 WeakPolarHBondContact O-CB 3.05Å; R408-R412 PolarHBondContact O-N 3.32Å; R408-R412 VanDerWaalsContact O-N 3.13Å; R408-I491 HydrophobicContact CB-CD1 4.22Å; R408-I491 HydrophobicContact CG-CD1 4.32Å; R408-F493 HydrophobicContact CG-CE1 4.26Å; R408-F499 VanDerWaalsContact NE-CD2 3.32Å; R408-F499 VanDerWaalsContact NH2-CD2 3.29Å
409	I	93.5	Very high	94.1	Very high	22 Å²	22	44.9 Å²	44.9	11%	0.113	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-46.9	178.6	-69.5	169.9	0	0	0	109.5	H317 K405 F406 C411 R412 L413	H317-I409 VanDerWaalsContact O-CG2 3.24Å; H317-I409 WeakPolarHBondContact O-CG2 3.07Å; K405-I409 HydrophobicContact CG-CD1 3.68Å; K405-I409 WeakPolarHBondContact O-CB 3.4Å; K405-I409 WeakPolarHBondContact O-CG1 3.46Å; K405-I409 PolarHBondContact O-N 2.58Å; F406-I409 PolarHBondContact O-N 3Å; I409-C411 PolarHBondContact O-N 3.35Å; I409-R412 CarbonylContact O-C 3.54Å; I409-R412 WeakPolarHBondContact O-CB 3.42Å; I409-R412 PolarHBondContact O-N 3.07Å; I409-R412 VanDerWaalsContact O-N 3.13Å; I409-L413 HydrophobicContact CG2-CD1 3.77Å; I409-L413 HydrophobicContact CG2-CG 4.1Å; I409-L413 WeakPolarHBondContact O-CG 3.2Å; I409-L413 PolarHBondContact O-N 2.88Å
410	Q	96.7	Very high	93.9	Very high	9 Å²	9	45.9 Å²	45.9	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-44	-178.5	-172.6	63.3	45.9	0	0	112.6	I319 F371 F406 M407 R412 L413 S414	I319-Q410 HydrophobicContact CB-CG 4.29Å; I319-Q410 HydrophobicContact CD1-CB 3.68Å; I319-Q410 HydrophobicContact CD1-CG 3.93Å; I319-Q410 HydrophobicContact CG1-CB 3.98Å; I319-Q410 HydrophobicContact CG1-CG 4.17Å; F371-Q410 HydrophobicContact CB-CG 3.88Å; F371-Q410 HydrophobicContact CD1-CG 3.37Å; F371-Q410 HydrophobicContact CD2-CG 3.49Å; F371-Q410 VanDerWaalsContact CD2-CG 3.49Å; F371-Q410 HydrophobicContact CE1-CB 4.38Å; F371-Q410 HydrophobicContact CE1-CG 3.63Å; F371-Q410 HydrophobicContact CE2-CB 4.49Å; F371-Q410 HydrophobicContact CE2-CG 3.74Å; F371-Q410 HydrophobicContact CG-CG 3.28Å; F371-Q410 HydrophobicContact CZ-CB 4.35Å; F371-Q410 HydrophobicContact CZ-CG 3.8Å; F406-Q410 VanDerWaalsContact O-CB 3.26Å; F406-Q410 WeakPolarHBondContact O-CB 3.37Å; F406-Q410 PolarHBondContact O-N 3.12Å; M407-Q410 PolarHBondContact O-N 2.74Å; Q410-R412 VanDerWaalsContact C-N 3.3Å; Q410-R412 PolarHBondContact O-N 3.48Å; Q410-L413 PolarHBondContact O-N 3.27Å; Q410-S414 PolarHBondContact NE2-OG 2.89Å; Q410-S414 VanDerWaalsContact O-CB 3.26Å; Q410-S414 WeakPolarHBondContact O-CB 3.49Å; Q410-S414 PolarHBondContact O-N 3.42Å; Q410-S414 PolarHBondContact O-OG 2.94Å
411	C	96	Very high	93.7	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-40.7	175.4	-70.6	0	0	0	0	111	M407 I409 S414 N415 I416 M418	M407-C411 WeakPolarHBondContact O-CB 3.27Å; M407-C411 PolarHBondContact O-N 3.45Å; M407-C411 PolarHBondContact O-SG 2.87Å; I409-C411 PolarHBondContact O-N 3.35Å; C411-S414 PolarHBondContact O-N 3.48Å; C411-N415 PolarHBondContact O-N 3.45Å; C411-N415 VanDerWaalsContact O-N 3.09Å; C411-I416 CarbonylContact C-O 3.59Å; C411-I416 WeakPolarHBondContact CB-O 3.27Å; C411-I416 PolarHBondContact O-N 2.87Å; C411-M418 HydrophobicContact CB-CG 4.26Å; C411-M418 HydrophobicContact CB-SD 3.74Å; C411-M418 PolarHBondContact SG-SD 2.77Å
412	R	94.4	Very high	93.7	Very high	202 Å²	202	43.8 Å²	43.8	76%	0.762	22%	0.224	S	C	*	.	H	α-helix	trans	-63.6	-47.6	174.7	-178	180	177.1	175	-1.1	112.3	R408 I409 Q410 S414 N415	R408-R412 WeakPolarHBondContact O-CB 3.05Å; R408-R412 PolarHBondContact O-N 3.32Å; R408-R412 VanDerWaalsContact O-N 3.13Å; I409-R412 CarbonylContact O-C 3.54Å; I409-R412 WeakPolarHBondContact O-CB 3.42Å; I409-R412 PolarHBondContact O-N 3.07Å; I409-R412 VanDerWaalsContact O-N 3.13Å; Q410-R412 VanDerWaalsContact C-N 3.3Å; Q410-R412 PolarHBondContact O-N 3.48Å; R412-S414 VanDerWaalsContact C-N 3.25Å; R412-S414 PolarHBondContact O-N 2.7Å; R412-N415 PolarHBondContact O-N 3.19Å
413	L	95	Very high	93.5	Very high	78 Å²	78	45.7 Å²	45.7	41%	0.408	23%	0.234	S	C	.	.	H	α-helix	trans	-62.6	-34.2	177.9	-70.5	176.4	0	0	0	111.9	E318 L346 I409 Q410 N415	E318-L413 HydrophobicContact CG-CD1 3.75Å; L346-L413 HydrophobicContact CD2-CD2 4.43Å; I409-L413 HydrophobicContact CG2-CD1 3.77Å; I409-L413 HydrophobicContact CG2-CG 4.1Å; I409-L413 WeakPolarHBondContact O-CG 3.2Å; I409-L413 PolarHBondContact O-N 2.88Å; Q410-L413 PolarHBondContact O-N 3.27Å; L413-N415 VanDerWaalsContact C-N 3.32Å
414	S	96.1	Very high	93.5	Very high	24 Å²	24	46.6 Å²	46.6	17%	0.168	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.6	179.5	-53.2	0	0	0	0	113.8	Q410 C411 R412 I416	Q410-S414 PolarHBondContact NE2-OG 2.89Å; Q410-S414 VanDerWaalsContact O-CB 3.26Å; Q410-S414 WeakPolarHBondContact O-CB 3.49Å; Q410-S414 PolarHBondContact O-N 3.42Å; Q410-S414 PolarHBondContact O-OG 2.94Å; C411-S414 PolarHBondContact O-N 3.48Å; R412-S414 VanDerWaalsContact C-N 3.25Å; R412-S414 PolarHBondContact O-N 2.7Å; S414-I416 VanDerWaalsContact C-N 3.31Å; S414-I416 PolarHBondContact O-N 3.39Å
415	N	96.2	Very high	93.6	Very high	156 Å²	156	46.2 Å²	46.2	83%	0.834	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	43.4	-172.7	-165.5	42.3	0	0	0	113.4	C411 R412 L413	C411-N415 PolarHBondContact O-N 3.45Å; C411-N415 VanDerWaalsContact O-N 3.09Å; R412-N415 PolarHBondContact O-N 3.19Å; L413-N415 VanDerWaalsContact C-N 3.32Å
416	I	95	Very high	93.8	Very high	57 Å²	57	43 Å²	43	29%	0.292	22%	0.222	S	C	.	.			trans	-117.9	140.9	179	-65.8	169.4	0	0	0	109	P372 L375 C411 S414	P372-I416 HydrophobicContact CB-CD1 3.61Å; P372-I416 HydrophobicContact CG-CD1 3.62Å; L375-I416 HydrophobicContact CD2-CG2 4.27Å; C411-I416 CarbonylContact C-O 3.59Å; C411-I416 WeakPolarHBondContact CB-O 3.27Å; C411-I416 PolarHBondContact O-N 2.87Å; S414-I416 VanDerWaalsContact C-N 3.31Å; S414-I416 PolarHBondContact O-N 3.39Å
417	S	94	Very high	93.9	Very high	104 Å²	104	41.6 Å²	41.6	73%	0.727	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-66.4	137.1	172.1	52.9	0	0	0	0	110.7	P419	S417-P419 WeakPolarHBondContact O-CD 3.45Å
418	M	93.2	Very high	94	Very high	35 Å²	35	41.6 Å²	41.6	17%	0.172	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-51.9	124.4	174.1	-80.7	-68.8	-79.3	0	0	110.7	M407 C411 V422 I491 F493	M407-M418 HydrophobicContact CB-CE 4.06Å; M407-M418 HydrophobicContact CB-SD 4.36Å; C411-M418 HydrophobicContact CB-CG 4.26Å; C411-M418 HydrophobicContact CB-SD 3.74Å; C411-M418 PolarHBondContact SG-SD 2.77Å; M418-V422 HydrophobicContact CB-CG2 4.44Å; M418-V422 HydrophobicContact CE-CB 4.25Å; M418-V422 HydrophobicContact CE-CG2 3.36Å; M418-V422 HydrophobicContact SD-CG2 4.16Å; M418-I491 HydrophobicContact CE-CD1 3.69Å; M418-F493 HydrophobicContact CG-CZ 4.26Å
419	P	92.2	Very high	94.2	Very high	10 Å²	10	40.7 Å²	40.7	7%	0.065	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-55.5	144.1	177	-24.9	31.8	0	0	0	111.7	L375 S417 W421 V422 N423	L375-P419 HydrophobicContact CD1-CG 3.89Å; L375-P419 HydrophobicContact CD2-CG 3.92Å; L375-P419 HydrophobicContact CG-CG 4.47Å; S417-P419 WeakPolarHBondContact O-CD 3.45Å; P419-W421 HydrophobicContact CB-CD2 4.4Å; P419-W421 HydrophobicContact CB-CG 4.28Å; P419-W421 HydrophobicContact CB-CZ2 4.35Å; P419-W421 HydrophobicContact CG-CZ2 4.49Å; P419-W421 PolarHBondContact O-N 2.73Å; P419-W421 VanDerWaalsContact O-N 3.15Å; P419-V422 HydrophobicContact CB-CG1 4.44Å; P419-V422 HydrophobicContact CB-CG2 4.11Å; P419-V422 HydrophobicContact CG-CG2 4.32Å; P419-V422 WeakPolarHBondContact O-CG2 3.46Å; P419-V422 PolarHBondContact O-N 3.09Å; P419-N423 PolarHBondContact O-ND2 2.91Å
420	S	88.2	Confident	94.3	Very high	59 Å²	59	43.6 Å²	43.6	41%	0.413	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-62	-29	-175.4	52.7	0	0	0	0	112.8	N423 G516	S420-N423 WeakPolarHBondContact CA-ND2 3.31Å; S420-N423 PolarHBondContact O-ND2 3.01Å; S420-G516 WeakPolarHBondContact OG-CA 3.39Å
421	W	89.9	Confident	94.3	Very high	14 Å²	14	43.8 Å²	43.8	5%	0.053	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-78.3	-14.3	-177.5	59.7	-91.3	0	0	0	115	I297 F322 L375 I378 E379 L382 F383 I395 P419 M515	I297-W421 HydrophobicContact CD1-CZ3 4.38Å; F322-W421 HydrophobicContact CZ-CH2 4.25Å; L375-W421 HydrophobicContact CD1-CZ2 3.92Å; I378-W421 HydrophobicContact CG2-CH2 4Å; I378-W421 HydrophobicContact CG2-CZ2 3.96Å; E379-W421 PolarHBondContact OE1-NE1 2.96Å; L382-W421 HydrophobicContact CD1-CD2 4.44Å; L382-W421 HydrophobicContact CD1-CE3 4.48Å; L382-W421 HydrophobicContact CD1-CH2 4.36Å; L382-W421 HydrophobicContact CD1-CZ2 4.27Å; L382-W421 HydrophobicContact CD1-CZ3 4.45Å; F383-W421 AromaticContact CZ-CD1 3.64Å; F383-W421 HydrophobicContact CZ-CG 4.12Å; I395-W421 HydrophobicContact CD1-CE3 3.74Å; I395-W421 HydrophobicContact CD1-CZ3 3.85Å; I395-W421 WeakPolarHBondContact CD1-O 3.48Å; I395-W421 HydrophobicContact CG1-CE3 4.45Å; P419-W421 HydrophobicContact CB-CD2 4.4Å; P419-W421 HydrophobicContact CB-CG 4.28Å; P419-W421 HydrophobicContact CB-CZ2 4.35Å; P419-W421 HydrophobicContact CG-CZ2 4.49Å; P419-W421 PolarHBondContact O-N 2.73Å; P419-W421 VanDerWaalsContact O-N 3.15Å; W421-M515 HydrophobicContact CB-CB 4.43Å; W421-M515 HydrophobicContact CB-CE 4.05Å; W421-M515 HydrophobicContact CD2-CE 4.25Å; W421-M515 HydrophobicContact CE3-CE 4.17Å; W421-M515 HydrophobicContact CG-CE 4.2Å
422	V	91.3	Very high	94.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-92.6	-3.4	-179.4	-63.1	0	0	0	0	114.4	I395 M403 M407 M418 P419 I424	I395-V422 HydrophobicContact CD1-CB 4.47Å; I395-V422 HydrophobicContact CD1-CG1 4.25Å; M403-V422 HydrophobicContact SD-CB 3.95Å; M403-V422 HydrophobicContact SD-CG1 4.11Å; M407-V422 HydrophobicContact CE-CG1 3.82Å; M418-V422 HydrophobicContact CB-CG2 4.44Å; M418-V422 HydrophobicContact CE-CB 4.25Å; M418-V422 HydrophobicContact CE-CG2 3.36Å; M418-V422 HydrophobicContact SD-CG2 4.16Å; P419-V422 HydrophobicContact CB-CG1 4.44Å; P419-V422 HydrophobicContact CB-CG2 4.11Å; P419-V422 HydrophobicContact CG-CG2 4.32Å; P419-V422 WeakPolarHBondContact O-CG2 3.46Å; P419-V422 PolarHBondContact O-N 3.09Å; V422-I424 VanDerWaalsContact C-N 3.33Å; V422-I424 PolarHBondContact O-N 3.06Å
423	N	90.4	Very high	94.6	Very high	42 Å²	42	37.1 Å²	37.1	23%	0.225	20%	0.204	C	C	.	.	S	Bend	trans	-76.9	-16.2	-170.3	-68.1	-57.2	0	0	0	114.8	P419 S420 R490 I491	P419-N423 PolarHBondContact O-ND2 2.91Å; S420-N423 WeakPolarHBondContact CA-ND2 3.31Å; S420-N423 PolarHBondContact O-ND2 3.01Å; N423-R490 CarbonylContact O-C 3.5Å; N423-R490 WeakPolarHBondContact O-CA 3.45Å; N423-R490 WeakPolarHBondContact O-CB 3.13Å; N423-I491 HydrophobicContact CB-CG2 4.32Å; N423-I491 PolarHBondContact O-N 3.05Å; N423-I491 WeakPolarHBondContact OD1-CG2 3.25Å
424	I	92.6	Very high	94.7	Very high	20 Å²	20	37 Å²	37	10%	0.103	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144.2	178	67	168.8	0	0	0	110	V422 V487 E489 R490 L519 L522	V422-I424 VanDerWaalsContact C-N 3.33Å; V422-I424 PolarHBondContact O-N 3.06Å; I424-V487 HydrophobicContact CD1-CB 4.36Å; I424-V487 HydrophobicContact CD1-CG1 3.97Å; I424-V487 HydrophobicContact CD1-CG2 4.28Å; I424-V487 HydrophobicContact CG1-CG1 4.29Å; I424-E489 WeakPolarHBondContact CA-O 3.1Å; I424-R490 HydrophobicContact CG2-CB 3.76Å; I424-L519 HydrophobicContact CD1-CD1 3.33Å; I424-L519 HydrophobicContact CD1-CD2 3.62Å; I424-L519 HydrophobicContact CD1-CG 4.07Å; I424-L519 HydrophobicContact CG1-CD1 3.59Å; I424-L519 HydrophobicContact CG2-CD1 4.2Å; I424-L519 HydrophobicContact CG2-CD2 4.31Å; I424-L522 HydrophobicContact CG2-CD1 4.17Å
425	W	94.9	Very high	94.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	170.1	-179.5	61.5	97.2	0	0	0	111.7	I395 M403 N488 E489 I491 V500	I395-W425 HydrophobicContact CB-CB 3.94Å; I395-W425 HydrophobicContact CG2-CB 4.06Å; M403-W425 HydrophobicContact CB-CD2 3.66Å; M403-W425 HydrophobicContact CB-CE3 3.4Å; M403-W425 HydrophobicContact CB-CG 4.38Å; M403-W425 HydrophobicContact CB-CH2 3.95Å; M403-W425 HydrophobicContact CB-CZ2 4.16Å; M403-W425 HydrophobicContact CB-CZ3 3.55Å; M403-W425 HydrophobicContact CG-CB 4.27Å; M403-W425 HydrophobicContact CG-CD2 3.81Å; M403-W425 HydrophobicContact CG-CE3 3.78Å; M403-W425 HydrophobicContact CG-CG 4.01Å; M403-W425 HydrophobicContact CG-CZ3 4.43Å; W425-N488 PolarHBondContact O-N 2.75Å; W425-E489 HydrophobicContact CD2-CB 4.16Å; W425-E489 HydrophobicContact CG-CB 4.5Å; W425-E489 HydrophobicContact CZ2-CB 3.74Å; W425-E489 PolarHBondContact N-O 2.97Å; W425-E489 PolarHBondContact NE1-OE2 3.18Å; W425-E489 PolarHBondContact O-N 3.37Å; W425-I491 HydrophobicContact CZ3-CB 4.28Å; W425-V500 HydrophobicContact CH2-CG2 4.24Å; W425-V500 HydrophobicContact CZ2-CG1 4.39Å; W425-V500 HydrophobicContact CZ2-CG2 4.03Å
426	I	96.5	Very high	94.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	106.9	168.9	-50.8	-173.6	0	0	0	107	Y291 L294 A394 I395 V396 C397 L428 S431 L485 V487	Y291-I426 HydrophobicContact CE2-CD1 3.98Å; L294-I426 HydrophobicContact CD2-CD1 4.28Å; A394-I426 HydrophobicContact CB-CD1 3.92Å; A394-I426 HydrophobicContact CB-CG1 4.16Å; I395-I426 PolarHBondContact O-N 3.38Å; V396-I426 WeakPolarHBondContact CA-O 3.43Å; V396-I426 HydrophobicContact CB-CB 4.49Å; V396-I426 HydrophobicContact CG1-CB 4.38Å; V396-I426 HydrophobicContact CG2-CB 4.15Å; V396-I426 HydrophobicContact CG2-CD1 4.13Å; V396-I426 HydrophobicContact CG2-CG1 4.41Å; C397-I426 PolarHBondContact N-O 3.31Å; C397-I426 VanDerWaalsContact N-O 3.09Å; I426-L428 PolarHBondContact O-N 3.27Å; I426-S431 WeakPolarHBondContact CG2-OG 3.37Å; I426-L485 HydrophobicContact CD1-CB 4.01Å; I426-L485 HydrophobicContact CG2-CD2 4.45Å; I426-V487 HydrophobicContact CG1-CG1 4.17Å
427	N	96.8	Very high	94.9	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.032	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	110.1	163.9	177.8	-32.1	0	0	0	108.3	D398 S400 T429 K430 S431 N488 E489	D398-N427 PolarHBondContact O-OD1 3.14Å; S400-N427 PolarHBondContact OG-ND2 3.49Å; S400-N427 VanDerWaalsContact OG-ND2 3.13Å; N427-T429 PolarHBondContact O-N 3.03Å; N427-T429 PolarHBondContact OD1-N 3.5Å; N427-T429 VanDerWaalsContact OD1-N 3.13Å; N427-T429 PolarHBondContact OD1-OG1 2.89Å; N427-K430 HydrophobicContact CB-CB 4.33Å; N427-K430 HydrophobicContact CB-CD 4.28Å; N427-K430 HydrophobicContact CB-CG 4.36Å; N427-K430 PolarHBondContact O-N 2.99Å; N427-K430 PolarHBondContact OD1-N 2.99Å; N427-S431 PolarHBondContact O-N 3.42Å; N427-S431 PolarHBondContact O-OG 3.4Å; N427-N488 WeakPolarHBondContact CB-OD1 3.42Å; N427-N488 PolarHBondContact N-OD1 3.29Å; N427-N488 PolarHBondContact O-ND2 3.37Å; N427-E489 HydrophobicContact CB-CG 4Å; N427-E489 WeakPolarHBondContact CB-OE2 3.44Å; N427-E489 VanDerWaalsContact ND2-CD 3.33Å; N427-E489 PolarHBondContact ND2-OE1 3.04Å; N427-E489 PolarHBondContact ND2-OE2 2.78Å
428	L	97.8	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.2	-39.8	-173.3	-170.2	62.4	0	0	0	111.7	V396 C397 I426 K430 S431 F432 M449 I471 I474 V475 L478 L485	V396-L428 HydrophobicContact CG1-CB 4.16Å; V396-L428 HydrophobicContact CG1-CD1 4.2Å; C397-L428 VanDerWaalsContact O-CB 3.28Å; C397-L428 WeakPolarHBondContact O-CB 3.49Å; C397-L428 PolarHBondContact O-N 3Å; I426-L428 PolarHBondContact O-N 3.27Å; L428-K430 VanDerWaalsContact C-N 3.25Å; L428-K430 PolarHBondContact O-N 2.66Å; L428-S431 PolarHBondContact O-N 3.48Å; L428-S431 VanDerWaalsContact O-N 3.13Å; L428-F432 VanDerWaalsContact O-CB 3.32Å; L428-F432 WeakPolarHBondContact O-CB 3.49Å; L428-F432 PolarHBondContact O-N 2.83Å; L428-M449 HydrophobicContact CD2-CE 4.12Å; L428-M449 HydrophobicContact CD2-SD 4.47Å; L428-M449 HydrophobicContact CG-CE 4.27Å; L428-M449 HydrophobicContact CG-SD 4.2Å; L428-I471 HydrophobicContact CD2-CB 4.47Å; L428-I471 HydrophobicContact CD2-CG2 3.62Å; L428-I474 HydrophobicContact CD2-CB 4.09Å; L428-I474 HydrophobicContact CD2-CG2 3.82Å; L428-I474 HydrophobicContact CG-CG2 4.35Å; L428-V475 HydrophobicContact CD1-CG2 3.92Å; L428-V475 HydrophobicContact CD2-CG2 4.19Å; L428-L478 HydrophobicContact CD1-CD1 3.55Å; L428-L478 HydrophobicContact CG-CD1 4.48Å; L428-L485 HydrophobicContact CD1-CD2 4.31Å
429	T	97.3	Very high	95.2	Very high	15 Å²	15	30.4 Å²	30.4	9%	0.092	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-34.8	178.2	65.4	0	0	0	0	112.4	D398 N427 R433 I444 M449	D398-T429 WeakPolarHBondContact O-CG2 3.29Å; D398-T429 PolarHBondContact O-N 3.34Å; D398-T429 VanDerWaalsContact O-N 3.16Å; D398-T429 PolarHBondContact O-OG1 2.74Å; N427-T429 PolarHBondContact O-N 3.03Å; N427-T429 PolarHBondContact OD1-N 3.5Å; N427-T429 VanDerWaalsContact OD1-N 3.13Å; N427-T429 PolarHBondContact OD1-OG1 2.89Å; T429-R433 WeakPolarHBondContact O-CB 3.38Å; T429-R433 PolarHBondContact O-N 3.34Å; T429-I444 HydrophobicContact CG2-CB 4.44Å; T429-I444 HydrophobicContact CG2-CG2 3.99Å; T429-I444 WeakPolarHBondContact CG2-O 3.26Å; T429-M449 HydrophobicContact CG2-CE 3.86Å; T429-M449 HydrophobicContact CG2-SD 4.29Å
430	K	96.4	Very high	95.2	Very high	83 Å²	83	35.3 Å²	35.3	36%	0.361	20%	0.2	S	C	.	.	H	α-helix	trans	-68.7	-44.7	174.2	-75.7	-174.9	172.3	177.8	0	111.9	N427 L428 R433 A434 E489	N427-K430 HydrophobicContact CB-CB 4.33Å; N427-K430 HydrophobicContact CB-CD 4.28Å; N427-K430 HydrophobicContact CB-CG 4.36Å; N427-K430 PolarHBondContact O-N 2.99Å; N427-K430 PolarHBondContact OD1-N 2.99Å; L428-K430 VanDerWaalsContact C-N 3.25Å; L428-K430 PolarHBondContact O-N 2.66Å; K430-R433 PolarHBondContact O-N 3.39Å; K430-A434 WeakPolarHBondContact O-CB 3.3Å; K430-A434 PolarHBondContact O-N 2.85Å; K430-E489 HydrophobicContact CD-CG 4.16Å; K430-E489 WeakPolarHBondContact CD-OE1 3.35Å; K430-E489 WeakPolarHBondContact CE-OE1 3.37Å; K430-E489 IonicContact NZ-OE1 2.81Å; K430-E489 PolarHBondContact NZ-OE1 3.26Å
431	S	97	Very high	95.4	Very high	14 Å²	14	43.2 Å²	43.2	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-45.8	176.3	-65.2	0	0	0	0	111.6	I426 N427 L428 A434 F435 N488	I426-S431 WeakPolarHBondContact CG2-OG 3.37Å; N427-S431 PolarHBondContact O-N 3.42Å; N427-S431 PolarHBondContact O-OG 3.4Å; L428-S431 PolarHBondContact O-N 3.48Å; L428-S431 VanDerWaalsContact O-N 3.13Å; S431-A434 PolarHBondContact O-N 2.93Å; S431-F435 VanDerWaalsContact O-CB 3.32Å; S431-F435 WeakPolarHBondContact O-CB 3.32Å; S431-F435 PolarHBondContact O-N 3.18Å; S431-N488 PolarHBondContact OG-ND2 3.44Å
432	F	98.2	Very high	95.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-48.3	176.9	-170.2	-86.2	0	0	0	111.6	L428 A434 F435 Y436 F438 I444 M449 D452 L453 I474 L478	L428-F432 VanDerWaalsContact O-CB 3.32Å; L428-F432 WeakPolarHBondContact O-CB 3.49Å; L428-F432 PolarHBondContact O-N 2.83Å; F432-A434 PolarHBondContact O-N 2.87Å; F432-F435 PolarHBondContact O-N 3.19Å; F432-Y436 AromaticContact CD1-CD2 4Å; F432-Y436 HydrophobicContact CD1-CD2 4Å; F432-Y436 AromaticContact CD2-CD2 3.79Å; F432-Y436 HydrophobicContact CD2-CD2 3.79Å; F432-Y436 AromaticContact CD2-CE2 3.7Å; F432-Y436 HydrophobicContact CD2-CE2 3.7Å; F432-Y436 AromaticContact CE1-CD2 3.86Å; F432-Y436 HydrophobicContact CE1-CD2 3.86Å; F432-Y436 HydrophobicContact CE1-CE2 4.47Å; F432-Y436 AromaticContact CE2-CD2 3.62Å; F432-Y436 HydrophobicContact CE2-CD2 3.62Å; F432-Y436 AromaticContact CE2-CE2 3.4Å; F432-Y436 HydrophobicContact CE2-CE2 3.4Å; F432-Y436 AromaticContact CG-CD2 3.97Å; F432-Y436 HydrophobicContact CG-CD2 3.97Å; F432-Y436 HydrophobicContact CG-CE2 4.35Å; F432-Y436 AromaticContact CZ-CD2 3.65Å; F432-Y436 HydrophobicContact CZ-CD2 3.65Å; F432-Y436 AromaticContact CZ-CE2 3.82Å; F432-Y436 HydrophobicContact CZ-CE2 3.82Å; F432-Y436 PolarHBondContact O-N 2.96Å; F432-F438 HydrophobicContact CD1-CD2 4.13Å; F432-F438 HydrophobicContact CD1-CE2 4.09Å; F432-F438 AromaticContact CE1-CD2 3.9Å; F432-F438 HydrophobicContact CE1-CD2 3.9Å; F432-F438 AromaticContact CE1-CE2 3.43Å; F432-F438 HydrophobicContact CE1-CE2 3.43Å; F432-F438 VanDerWaalsContact CE1-CE2 3.43Å; F432-F438 HydrophobicContact CE1-CZ 4.35Å; F432-F438 HydrophobicContact CZ-CE2 4.21Å; F432-I444 HydrophobicContact CD1-CD1 4.13Å; F432-I444 HydrophobicContact CD1-CG2 4.04Å; F432-M449 HydrophobicContact CB-CG 4.32Å; F432-M449 HydrophobicContact CB-SD 3.62Å; F432-M449 HydrophobicContact CD1-CG 3.81Å; F432-M449 HydrophobicContact CD1-SD 4.25Å; F432-M449 HydrophobicContact CD2-CB 4.14Å; F432-M449 HydrophobicContact CD2-CG 3.78Å; F432-M449 HydrophobicContact CD2-SD 3.75Å; F432-M449 HydrophobicContact CE1-CB 4.43Å; F432-M449 HydrophobicContact CE1-CG 3.95Å; F432-M449 HydrophobicContact CE2-CB 3.88Å; F432-M449 HydrophobicContact CE2-CG 3.95Å; F432-M449 HydrophobicContact CE2-SD 4.46Å; F432-M449 HydrophobicContact CG-CG 3.72Å; F432-M449 HydrophobicContact CG-SD 3.63Å; F432-M449 HydrophobicContact CZ-CB 4.05Å; F432-M449 HydrophobicContact CZ-CG 4.03Å; F432-D452 HydrophobicContact CE1-CB 4.42Å; F432-D452 HydrophobicContact CZ-CB 4.04Å; F432-L453 HydrophobicContact CE2-CD1 3.99Å; F432-L453 HydrophobicContact CE2-CD2 4.01Å; F432-L453 HydrophobicContact CE2-CG 3.83Å; F432-L453 HydrophobicContact CZ-CD2 4.36Å; F432-L453 HydrophobicContact CZ-CG 4.21Å; F432-I474 HydrophobicContact CD2-CG2 4.13Å; F432-I474 HydrophobicContact CE2-CG2 4.43Å; F432-L478 HydrophobicContact CD2-CD1 4.35Å; F432-L478 HydrophobicContact CD2-CD2 4.11Å; F432-L478 HydrophobicContact CD2-CG 4.48Å
433	R	97.6	Very high	95.7	Very high	63 Å²	63	56.5 Å²	56.5	24%	0.238	27%	0.271	C	S	.	.	H	α-helix	trans	-55.4	-51.4	175.1	-173.2	174	-75.5	111.1	-2.2	111.6	T429 K430 K437 F438 Y442 I444	T429-R433 WeakPolarHBondContact O-CB 3.38Å; T429-R433 PolarHBondContact O-N 3.34Å; K430-R433 PolarHBondContact O-N 3.39Å; R433-K437 VanDerWaalsContact O-CA 3.28Å; R433-K437 WeakPolarHBondContact O-CA 3.43Å; R433-K437 PolarHBondContact O-N 3.25Å; R433-F438 HydrophobicContact CG-CB 4.24Å; R433-F438 WeakPolarHBondContact CG-O 3.41Å; R433-F438 PolarHBondContact O-N 2.73Å; R433-F438 VanDerWaalsContact O-N 3.13Å; R433-Y442 PolarHBondContact NH2-O 3.4Å; R433-I444 HydrophobicContact CB-CD1 3.54Å; R433-I444 HydrophobicContact CG-CD1 4.01Å
434	A	96.5	Very high	95.9	Very high	76 Å²	76	55.2 Å²	55.2	63%	0.628	26%	0.264	S	S	*	.	H	α-helix	trans	-64.6	-42.6	-175	0	0	0	0	0	111.7	K430 S431 F432	K430-A434 WeakPolarHBondContact O-CB 3.3Å; K430-A434 PolarHBondContact O-N 2.85Å; S431-A434 PolarHBondContact O-N 2.93Å; F432-A434 PolarHBondContact O-N 2.87Å
435	F	97.6	Very high	96.1	Very high	20 Å²	20	57.5 Å²	57.5	9%	0.088	28%	0.279	C	S	.	.	H	α-helix	trans	-69.9	-51.2	-176.7	-177.1	-108.1	0	0	0	112.8	R204 E208 S431 F432 K437 L478 D481 C483	R204-F435 PolarHBondContact NE-O 2.76Å; R204-F435 VanDerWaalsContact NE-O 3.1Å; R204-F435 PolarHBondContact NH2-O 3.44Å; E208-F435 HydrophobicContact CB-CZ 4.31Å; E208-F435 HydrophobicContact CG-CE2 3.94Å; E208-F435 HydrophobicContact CG-CZ 3.99Å; S431-F435 VanDerWaalsContact O-CB 3.32Å; S431-F435 WeakPolarHBondContact O-CB 3.32Å; S431-F435 PolarHBondContact O-N 3.18Å; F432-F435 PolarHBondContact O-N 3.19Å; F435-K437 PolarHBondContact O-N 3.43Å; F435-L478 HydrophobicContact CD1-CD2 3.73Å; F435-L478 HydrophobicContact CE1-CD2 4.36Å; F435-L478 HydrophobicContact CG-CD2 4.36Å; F435-D481 HydrophobicContact CE1-CB 3.65Å; F435-D481 HydrophobicContact CZ-CB 3.79Å; F435-C483 HydrophobicContact CB-CB 4.48Å; F435-C483 HydrophobicContact CD1-CB 4.08Å; F435-C483 HydrophobicContact CD2-CB 3.59Å; F435-C483 HydrophobicContact CE1-CB 4.2Å; F435-C483 VanDerWaalsContact CE2-CA 3.48Å; F435-C483 HydrophobicContact CE2-CB 3.73Å; F435-C483 HydrophobicContact CG-CB 3.78Å; F435-C483 HydrophobicContact CZ-CB 4.03Å
436	Y	98.1	Very high	96	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-82.8	0.5	178.7	-65.5	-58.6	0	0	0	113.6	T200 V201 R204 F432 F438 L453 L478 D481	T200-Y436 WeakPolarHBondContact CG2-O 3.43Å; V201-Y436 HydrophobicContact CB-CD1 4.33Å; V201-Y436 HydrophobicContact CB-CE1 4.23Å; V201-Y436 HydrophobicContact CG1-CD1 4.4Å; V201-Y436 HydrophobicContact CG1-CE1 3.8Å; V201-Y436 HydrophobicContact CG2-CD1 4.08Å; V201-Y436 HydrophobicContact CG2-CD2 4.33Å; V201-Y436 HydrophobicContact CG2-CE1 4.2Å; V201-Y436 HydrophobicContact CG2-CE2 4.41Å; V201-Y436 HydrophobicContact CG2-CG 4.16Å; R204-Y436 HydrophobicContact CB-CD1 3.79Å; R204-Y436 HydrophobicContact CB-CE1 4.49Å; R204-Y436 HydrophobicContact CG-CD1 4.42Å; R204-Y436 WeakPolarHBondContact CG-O 3.48Å; F432-Y436 AromaticContact CD1-CD2 4Å; F432-Y436 HydrophobicContact CD1-CD2 4Å; F432-Y436 AromaticContact CD2-CD2 3.79Å; F432-Y436 HydrophobicContact CD2-CD2 3.79Å; F432-Y436 AromaticContact CD2-CE2 3.7Å; F432-Y436 HydrophobicContact CD2-CE2 3.7Å; F432-Y436 AromaticContact CE1-CD2 3.86Å; F432-Y436 HydrophobicContact CE1-CD2 3.86Å; F432-Y436 HydrophobicContact CE1-CE2 4.47Å; F432-Y436 AromaticContact CE2-CD2 3.62Å; F432-Y436 HydrophobicContact CE2-CD2 3.62Å; F432-Y436 AromaticContact CE2-CE2 3.4Å; F432-Y436 HydrophobicContact CE2-CE2 3.4Å; F432-Y436 AromaticContact CG-CD2 3.97Å; F432-Y436 HydrophobicContact CG-CD2 3.97Å; F432-Y436 HydrophobicContact CG-CE2 4.35Å; F432-Y436 AromaticContact CZ-CD2 3.65Å; F432-Y436 HydrophobicContact CZ-CD2 3.65Å; F432-Y436 AromaticContact CZ-CE2 3.82Å; F432-Y436 HydrophobicContact CZ-CE2 3.82Å; F432-Y436 PolarHBondContact O-N 2.96Å; Y436-F438 VanDerWaalsContact C-N 3.27Å; Y436-F438 VanDerWaalsContact CB-CE2 3.41Å; Y436-F438 HydrophobicContact CD2-CE2 4.31Å; Y436-F438 HydrophobicContact CG-CE2 4.16Å; Y436-F438 PolarHBondContact O-N 3.5Å; Y436-L453 HydrophobicContact CE2-CD2 3.89Å; Y436-L453 WeakPolarHBondContact OH-CD2 3.35Å; Y436-L478 HydrophobicContact CD2-CD2 4.18Å; Y436-L478 HydrophobicContact CE2-CD2 3.41Å; Y436-L478 VanDerWaalsContact CE2-CD2 3.41Å; Y436-D481 PolarHBondContact OH-OD2 2.73Å
437	K	96.9	Very high	95.9	Very high	135 Å²	135	60.8 Å²	60.8	59%	0.587	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	38.3	176.7	-60.2	-178.3	174.7	172.1	0	113.5	R204 R433 F435	R204-K437 VanDerWaalsContact NH1-NZ 3.18Å; R433-K437 VanDerWaalsContact O-CA 3.28Å; R433-K437 WeakPolarHBondContact O-CA 3.43Å; R433-K437 PolarHBondContact O-N 3.25Å; F435-K437 PolarHBondContact O-N 3.43Å
438	F	97	Very high	95.9	Very high	17 Å²	17	62.3 Å²	62.3	8%	0.075	31%	0.306	C	S	.	.			trans	-66.7	141.4	172.1	-74.7	-75.1	0	0	0	110.5	T200 V201 F432 R433 Y436 Y442 I444 D452	T200-F438 HydrophobicContact CG2-CD1 4.34Å; T200-F438 HydrophobicContact CG2-CE1 3.89Å; T200-F438 HydrophobicContact CG2-CZ 4Å; V201-F438 HydrophobicContact CG2-CZ 4.34Å; F432-F438 HydrophobicContact CD1-CD2 4.13Å; F432-F438 HydrophobicContact CD1-CE2 4.09Å; F432-F438 AromaticContact CE1-CD2 3.9Å; F432-F438 HydrophobicContact CE1-CD2 3.9Å; F432-F438 AromaticContact CE1-CE2 3.43Å; F432-F438 HydrophobicContact CE1-CE2 3.43Å; F432-F438 VanDerWaalsContact CE1-CE2 3.43Å; F432-F438 HydrophobicContact CE1-CZ 4.35Å; F432-F438 HydrophobicContact CZ-CE2 4.21Å; R433-F438 HydrophobicContact CG-CB 4.24Å; R433-F438 WeakPolarHBondContact CG-O 3.41Å; R433-F438 PolarHBondContact O-N 2.73Å; R433-F438 VanDerWaalsContact O-N 3.13Å; Y436-F438 VanDerWaalsContact C-N 3.27Å; Y436-F438 VanDerWaalsContact CB-CE2 3.41Å; Y436-F438 HydrophobicContact CD2-CE2 4.31Å; Y436-F438 HydrophobicContact CG-CE2 4.16Å; Y436-F438 PolarHBondContact O-N 3.5Å; F438-Y442 HydrophobicContact CB-CD1 4.02Å; F438-Y442 HydrophobicContact CB-CG 4.45Å; F438-Y442 AromaticContact CD1-CD1 3.64Å; F438-Y442 HydrophobicContact CD1-CD1 3.64Å; F438-Y442 AromaticContact CD1-CE1 3.85Å; F438-Y442 HydrophobicContact CD1-CE1 3.85Å; F438-Y442 HydrophobicContact CD1-CG 4.1Å; F438-Y442 HydrophobicContact CE1-CD1 4.25Å; F438-Y442 AromaticContact CE1-CE1 3.98Å; F438-Y442 HydrophobicContact CE1-CE1 3.98Å; F438-Y442 AromaticContact CG-CD1 3.86Å; F438-Y442 HydrophobicContact CG-CD1 3.86Å; F438-Y442 HydrophobicContact CG-CE1 4.28Å; F438-I444 HydrophobicContact CB-CD1 4.22Å; F438-I444 HydrophobicContact CD2-CD1 4.45Å; F438-D452 HydrophobicContact CZ-CB 4.42Å; F438-D452 VanDerWaalsContact CZ-OD2 3.26Å; F438-D452 WeakPolarHBondContact CZ-OD2 3.27Å
439	P	95.7	Very high	95.9	Very high	64 Å²	64	62.3 Å²	62.3	42%	0.416	31%	0.306	S	S	.	.			trans	-67.3	153.1	179.5	28.6	-33.8	0	0	0	110.9	R441 Y442	P439-R441 HydrophobicContact CB-CG 4.33Å; P439-R441 HydrophobicContact CG-CG 4.32Å; P439-R441 PolarHBondContact O-N 2.72Å; P439-R441 VanDerWaalsContact O-N 3.07Å; P439-Y442 VanDerWaalsContact O-CB 3.26Å; P439-Y442 WeakPolarHBondContact O-CB 3.43Å; P439-Y442 PolarHBondContact O-N 2.79Å
440	S	92.3	Very high	95.8	Very high	113 Å²	113	61.7 Å²	61.7	79%	0.79	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-30.2	-177.1	-52	0	0	0	0	114.1	Y442	S440-Y442 VanDerWaalsContact C-N 3.25Å; S440-Y442 PolarHBondContact O-N 3.06Å
441	R	93.6	Very high	95.8	Very high	225 Å²	225	64.3 Å²	64.3	85%	0.849	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.8	177.3	73.1	-174.9	-147.6	-109.3	1.8	114.1	P439 R443	P439-R441 HydrophobicContact CB-CG 4.33Å; P439-R441 HydrophobicContact CG-CG 4.32Å; P439-R441 PolarHBondContact O-N 2.72Å; P439-R441 VanDerWaalsContact O-N 3.07Å; R441-R443 PolarHBondContact O-N 3.37Å
442	Y	93.7	Very high	95.8	Very high	76 Å²	76	63.8 Å²	63.8	30%	0.298	31%	0.312	S	S	.	.	S	Bend	trans	-77.4	113.2	177.4	-166.3	-105.7	0	0	0	108.9	R433 F438 P439 S440 I444 V448 D452	R433-Y442 PolarHBondContact NH2-O 3.4Å; F438-Y442 HydrophobicContact CB-CD1 4.02Å; F438-Y442 HydrophobicContact CB-CG 4.45Å; F438-Y442 AromaticContact CD1-CD1 3.64Å; F438-Y442 HydrophobicContact CD1-CD1 3.64Å; F438-Y442 AromaticContact CD1-CE1 3.85Å; F438-Y442 HydrophobicContact CD1-CE1 3.85Å; F438-Y442 HydrophobicContact CD1-CG 4.1Å; F438-Y442 HydrophobicContact CE1-CD1 4.25Å; F438-Y442 AromaticContact CE1-CE1 3.98Å; F438-Y442 HydrophobicContact CE1-CE1 3.98Å; F438-Y442 AromaticContact CG-CD1 3.86Å; F438-Y442 HydrophobicContact CG-CD1 3.86Å; F438-Y442 HydrophobicContact CG-CE1 4.28Å; P439-Y442 VanDerWaalsContact O-CB 3.26Å; P439-Y442 WeakPolarHBondContact O-CB 3.43Å; P439-Y442 PolarHBondContact O-N 2.79Å; S440-Y442 VanDerWaalsContact C-N 3.25Å; S440-Y442 PolarHBondContact O-N 3.06Å; Y442-I444 HydrophobicContact CD1-CD1 4.26Å; Y442-I444 HydrophobicContact CD1-CG1 3.69Å; Y442-I444 HydrophobicContact CE1-CG1 4.19Å; Y442-V448 HydrophobicContact CE1-CG1 3.61Å; Y442-V448 WeakPolarHBondContact OH-CG1 3.4Å; Y442-D452 VanDerWaalsContact CE1-OD2 3.31Å; Y442-D452 WeakPolarHBondContact CE1-OD2 3.45Å; Y442-D452 PolarHBondContact OH-OD1 2.96Å; Y442-D452 PolarHBondContact OH-OD2 3.44Å; Y442-D452 VanDerWaalsContact OH-OD2 3.04Å
443	R	93.2	Very high	95.6	Very high	217 Å²	217	63.9 Å²	63.9	82%	0.819	31%	0.312	S	S	*	.			trans	-76.9	123.8	178.7	-62.9	-172	77.8	161.3	3	108.5	R441	R441-R443 PolarHBondContact O-N 3.37Å
444	I	95.3	Very high	95.3	Very high	16 Å²	16	61.9 Å²	61.9	8%	0.082	31%	0.311	C	S	.	.			trans	-114.8	124.2	-176.6	-57	177.7	0	0	0	106.8	T429 F432 R433 F438 Y442 M449	T429-I444 HydrophobicContact CG2-CB 4.44Å; T429-I444 HydrophobicContact CG2-CG2 3.99Å; T429-I444 WeakPolarHBondContact CG2-O 3.26Å; F432-I444 HydrophobicContact CD1-CD1 4.13Å; F432-I444 HydrophobicContact CD1-CG2 4.04Å; R433-I444 HydrophobicContact CB-CD1 3.54Å; R433-I444 HydrophobicContact CG-CD1 4.01Å; F438-I444 HydrophobicContact CB-CD1 4.22Å; F438-I444 HydrophobicContact CD2-CD1 4.45Å; Y442-I444 HydrophobicContact CD1-CD1 4.26Å; Y442-I444 HydrophobicContact CD1-CG1 3.69Å; Y442-I444 HydrophobicContact CE1-CG1 4.19Å; I444-M449 HydrophobicContact CG2-CG 3.36Å; I444-M449 HydrophobicContact CG2-SD 3.9Å
445	T	94.9	Very high	95	Very high	67 Å²	67	58.8 Å²	58.8	41%	0.411	28%	0.284	S	S	.	.			trans	-129.1	169.3	173.7	63.3	0	0	0	0	107.9	N447 V448 M449	T445-N447 VanDerWaalsContact C-N 3.32Å; T445-N447 PolarHBondContact O-N 2.74Å; T445-V448 PolarHBondContact O-N 2.92Å; T445-V448 VanDerWaalsContact O-N 3.11Å; T445-V448 WeakPolarHBondContact OG1-CG2 3.43Å; T445-V448 PolarHBondContact OG1-N 3.33Å; T445-M449 WeakPolarHBondContact O-CG 3.36Å; T445-M449 PolarHBondContact O-N 2.95Å
446	L	94.6	Very high	94.7	Very high	10 Å²	10	61 Å²	61	5%	0.052	30%	0.301	C	S	.	.	H	α-helix	trans	-49.1	-51.5	174.4	-179.1	55.6	0	0	0	112.6	V448 M449 L450 F457 D467 N470 I471 I474	L446-V448 PolarHBondContact O-N 3.45Å; L446-M449 HydrophobicContact CD1-CE 4.42Å; L446-M449 PolarHBondContact O-N 3.22Å; L446-L450 HydrophobicContact CG-CD1 4.47Å; L446-L450 WeakPolarHBondContact O-CG 3.4Å; L446-L450 PolarHBondContact O-N 3.25Å; L446-F457 HydrophobicContact CD2-CE2 4.22Å; L446-D467 HydrophobicContact CD2-CB 3.91Å; L446-D467 VanDerWaalsContact CD2-OD1 3.23Å; L446-D467 WeakPolarHBondContact CD2-OD1 3.44Å; L446-N470 HydrophobicContact CD1-CB 4.23Å; L446-N470 HydrophobicContact CD2-CB 4.41Å; L446-I471 HydrophobicContact CD1-CG1 3.85Å; L446-I471 HydrophobicContact CD2-CG1 4.25Å; L446-I474 HydrophobicContact CD1-CD1 3.43Å; L446-I474 VanDerWaalsContact CD1-CD1 3.43Å
447	N	93.7	Very high	94.3	Very high	60 Å²	60	62.8 Å²	62.8	32%	0.321	31%	0.31	S	S	.	.	H	α-helix	trans	-60.1	-39.9	178.1	-77.4	-49.5	0	0	0	113.4	T445 H451 R461	T445-N447 VanDerWaalsContact C-N 3.32Å; T445-N447 PolarHBondContact O-N 2.74Å; N447-H451 WeakPolarHBondContact O-CB 3.25Å; N447-H451 PolarHBondContact O-N 3.45Å; N447-R461 PolarHBondContact OD1-NE 3.49Å; N447-R461 VanDerWaalsContact OD1-NE 3.1Å; N447-R461 PolarHBondContact OD1-NH2 3.06Å; N447-R461 VanDerWaalsContact OD1-NH2 3.12Å
448	V	96.3	Very high	93.8	Very high	37 Å²	37	57.4 Å²	57.4	22%	0.224	29%	0.288	C	S	.	.	H	α-helix	trans	-66.9	-41.4	177	171	0	0	0	0	110.9	Y442 T445 L446 H451 D452	Y442-V448 HydrophobicContact CE1-CG1 3.61Å; Y442-V448 WeakPolarHBondContact OH-CG1 3.4Å; T445-V448 PolarHBondContact O-N 2.92Å; T445-V448 VanDerWaalsContact O-N 3.11Å; T445-V448 WeakPolarHBondContact OG1-CG2 3.43Å; T445-V448 PolarHBondContact OG1-N 3.33Å; L446-V448 PolarHBondContact O-N 3.45Å; V448-H451 PolarHBondContact O-N 3.38Å; V448-D452 VanDerWaalsContact O-CB 3.32Å; V448-D452 WeakPolarHBondContact O-CB 3.42Å; V448-D452 PolarHBondContact O-N 2.95Å
449	M	97.9	Very high	93.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-46	176.6	-68.5	-171.7	-70.8	0	0	111.4	L428 T429 F432 I444 T445 L446 D452 L453 I474	L428-M449 HydrophobicContact CD2-CE 4.12Å; L428-M449 HydrophobicContact CD2-SD 4.47Å; L428-M449 HydrophobicContact CG-CE 4.27Å; L428-M449 HydrophobicContact CG-SD 4.2Å; T429-M449 HydrophobicContact CG2-CE 3.86Å; T429-M449 HydrophobicContact CG2-SD 4.29Å; F432-M449 HydrophobicContact CB-CG 4.32Å; F432-M449 HydrophobicContact CB-SD 3.62Å; F432-M449 HydrophobicContact CD1-CG 3.81Å; F432-M449 HydrophobicContact CD1-SD 4.25Å; F432-M449 HydrophobicContact CD2-CB 4.14Å; F432-M449 HydrophobicContact CD2-CG 3.78Å; F432-M449 HydrophobicContact CD2-SD 3.75Å; F432-M449 HydrophobicContact CE1-CB 4.43Å; F432-M449 HydrophobicContact CE1-CG 3.95Å; F432-M449 HydrophobicContact CE2-CB 3.88Å; F432-M449 HydrophobicContact CE2-CG 3.95Å; F432-M449 HydrophobicContact CE2-SD 4.46Å; F432-M449 HydrophobicContact CG-CG 3.72Å; F432-M449 HydrophobicContact CG-SD 3.63Å; F432-M449 HydrophobicContact CZ-CB 4.05Å; F432-M449 HydrophobicContact CZ-CG 4.03Å; I444-M449 HydrophobicContact CG2-CG 3.36Å; I444-M449 HydrophobicContact CG2-SD 3.9Å; T445-M449 WeakPolarHBondContact O-CG 3.36Å; T445-M449 PolarHBondContact O-N 2.95Å; L446-M449 HydrophobicContact CD1-CE 4.42Å; L446-M449 PolarHBondContact O-N 3.22Å; M449-D452 PolarHBondContact O-N 2.8Å; M449-L453 WeakPolarHBondContact O-CB 3.41Å; M449-L453 VanDerWaalsContact O-CG 3.27Å; M449-L453 WeakPolarHBondContact O-CG 3.49Å; M449-L453 PolarHBondContact O-N 3.43Å; M449-I474 HydrophobicContact CB-CD1 3.63Å; M449-I474 HydrophobicContact CB-CG1 4.37Å; M449-I474 HydrophobicContact CE-CD1 4.03Å; M449-I474 HydrophobicContact SD-CD1 4.48Å; M449-I474 HydrophobicContact SD-CG2 4.39Å
450	L	95.6	Very high	92.8	Very high	3 Å²	3	60 Å²	60	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-50.6	175.7	-69.4	170.6	0	0	0	111.5	L446 D452 L453 G454 L455 F457 N470 I474	L446-L450 HydrophobicContact CG-CD1 4.47Å; L446-L450 WeakPolarHBondContact O-CG 3.4Å; L446-L450 PolarHBondContact O-N 3.25Å; L450-D452 PolarHBondContact O-N 3.34Å; L450-L453 CarbonylContact O-C 3.55Å; L450-L453 PolarHBondContact O-N 3.06Å; L450-G454 PolarHBondContact O-N 3.22Å; L450-L455 CarbonylContact C-O 3.52Å; L450-L455 HydrophobicContact CB-CB 4.34Å; L450-L455 HydrophobicContact CD2-CB 3.9Å; L450-L455 HydrophobicContact CD2-CD1 4.04Å; L450-L455 PolarHBondContact O-N 3.31Å; L450-F457 HydrophobicContact CD1-CB 4.14Å; L450-F457 HydrophobicContact CD1-CD2 3.55Å; L450-F457 HydrophobicContact CD1-CE2 4.4Å; L450-F457 HydrophobicContact CD1-CG 4.28Å; L450-N470 HydrophobicContact CD1-CB 4.13Å; L450-N470 HydrophobicContact CD2-CB 4.32Å; L450-I474 HydrophobicContact CD2-CD1 4.01Å; L450-I474 HydrophobicContact CD2-CG1 3.92Å; L450-I474 HydrophobicContact CG-CD1 4.11Å; L450-I474 HydrophobicContact CG-CG1 4.49Å
451	H	95.5	Very high	92.5	Very high	138 Å²	138	60.5 Å²	60.5	64%	0.639	29%	0.293	S	S	*	.	H	α-helix	trans	-57.8	-47.6	178.3	173.3	-84.8	0	0	0	112	N447 V448 L453 G454	N447-H451 WeakPolarHBondContact O-CB 3.25Å; N447-H451 PolarHBondContact O-N 3.45Å; V448-H451 PolarHBondContact O-N 3.38Å; H451-L453 VanDerWaalsContact C-N 3.25Å; H451-L453 PolarHBondContact O-N 3.4Å; H451-G454 PolarHBondContact O-N 3.33Å
452	D	96.8	Very high	92.3	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-29.3	179.7	-80.9	-11.7	0	0	0	113.1	G197 N198 V201 F432 F438 Y442 V448 M449 L450 G454	G197-D452 CarbonylContact C-O 3.54Å; G197-D452 WeakPolarHBondContact CA-O 3.34Å; N198-D452 PolarHBondContact N-O 2.9Å; N198-D452 PolarHBondContact ND2-OD1 3.06Å; V201-D452 HydrophobicContact CG2-CB 4.36Å; V201-D452 WeakPolarHBondContact CG2-O 3.33Å; F432-D452 HydrophobicContact CE1-CB 4.42Å; F432-D452 HydrophobicContact CZ-CB 4.04Å; F438-D452 HydrophobicContact CZ-CB 4.42Å; F438-D452 VanDerWaalsContact CZ-OD2 3.26Å; F438-D452 WeakPolarHBondContact CZ-OD2 3.27Å; Y442-D452 VanDerWaalsContact CE1-OD2 3.31Å; Y442-D452 WeakPolarHBondContact CE1-OD2 3.45Å; Y442-D452 PolarHBondContact OH-OD1 2.96Å; Y442-D452 PolarHBondContact OH-OD2 3.44Å; Y442-D452 VanDerWaalsContact OH-OD2 3.04Å; V448-D452 VanDerWaalsContact O-CB 3.32Å; V448-D452 WeakPolarHBondContact O-CB 3.42Å; V448-D452 PolarHBondContact O-N 2.95Å; M449-D452 PolarHBondContact O-N 2.8Å; L450-D452 PolarHBondContact O-N 3.34Å; D452-G454 VanDerWaalsContact C-N 3.34Å
453	L	95.3	Very high	92.1	Very high	2 Å²	2	54 Å²	54	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-83.7	-6.4	172.5	-67.4	-178.7	0	0	0	113.5	L196 G197 V201 F432 Y436 M449 L450 H451 L455 I474 V477	L196-L453 CarbonylContact C-O 3.53Å; L196-L453 WeakPolarHBondContact CB-O 3.5Å; G197-L453 VanDerWaalsContact CA-C 3.43Å; G197-L453 WeakPolarHBondContact CA-O 3.39Å; G197-L453 PolarHBondContact N-O 2.97Å; V201-L453 HydrophobicContact CG1-CD2 3.79Å; V201-L453 HydrophobicContact CG2-CD2 4.21Å; F432-L453 HydrophobicContact CE2-CD1 3.99Å; F432-L453 HydrophobicContact CE2-CD2 4.01Å; F432-L453 HydrophobicContact CE2-CG 3.83Å; F432-L453 HydrophobicContact CZ-CD2 4.36Å; F432-L453 HydrophobicContact CZ-CG 4.21Å; Y436-L453 HydrophobicContact CE2-CD2 3.89Å; Y436-L453 WeakPolarHBondContact OH-CD2 3.35Å; M449-L453 WeakPolarHBondContact O-CB 3.41Å; M449-L453 VanDerWaalsContact O-CG 3.27Å; M449-L453 WeakPolarHBondContact O-CG 3.49Å; M449-L453 PolarHBondContact O-N 3.43Å; L450-L453 CarbonylContact O-C 3.55Å; L450-L453 PolarHBondContact O-N 3.06Å; H451-L453 VanDerWaalsContact C-N 3.25Å; H451-L453 PolarHBondContact O-N 3.4Å; L453-L455 VanDerWaalsContact C-N 3.33Å; L453-L455 HydrophobicContact CB-CD1 4Å; L453-L455 HydrophobicContact CB-CG 3.81Å; L453-L455 HydrophobicContact CD1-CD1 4.07Å; L453-I474 HydrophobicContact CD1-CB 4.31Å; L453-I474 HydrophobicContact CD1-CG1 4.05Å; L453-I474 HydrophobicContact CD1-CG2 4.03Å; L453-V477 HydrophobicContact CD1-CB 4.05Å; L453-V477 HydrophobicContact CD1-CG1 3.98Å; L453-V477 HydrophobicContact CD1-CG2 4.43Å; L453-V477 HydrophobicContact CD2-CG1 3.81Å; L453-V477 HydrophobicContact CG-CG1 4.45Å
454	G	91.8	Very high	92	Very high	20 Å²	20	43.7 Å²	43.7	21%	0.206	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	22.6	-177.8	0	0	0	0	0	114.1	R130 L450 H451 D452	R130-G454 PolarHBondContact NH1-O 3.13Å; R130-G454 VanDerWaalsContact NH1-O 3.09Å; L450-G454 PolarHBondContact O-N 3.22Å; H451-G454 PolarHBondContact O-N 3.33Å; D452-G454 VanDerWaalsContact C-N 3.34Å
455	L	90.3	Very high	91.8	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.063	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-96.7	141	179.4	-53.6	-178.2	0	0	0	110.3	D109 L196 L450 L453 V477	D109-L455 HydrophobicContact CB-CD2 3.64Å; L196-L455 HydrophobicContact CD1-CD2 4.32Å; L450-L455 CarbonylContact C-O 3.52Å; L450-L455 HydrophobicContact CB-CB 4.34Å; L450-L455 HydrophobicContact CD2-CB 3.9Å; L450-L455 HydrophobicContact CD2-CD1 4.04Å; L450-L455 PolarHBondContact O-N 3.31Å; L453-L455 VanDerWaalsContact C-N 3.33Å; L453-L455 HydrophobicContact CB-CD1 4Å; L453-L455 HydrophobicContact CB-CG 3.81Å; L453-L455 HydrophobicContact CD1-CD1 4.07Å; L455-V477 HydrophobicContact CD1-CG2 4.31Å
456	S	89.7	Confident	91.6	Very high	65 Å²	65	42.1 Å²	42.1	46%	0.455	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-84.4	148.9	166.2	54	0	0	0	0	110.3	R473	S456-R473 PolarHBondContact O-NH1 3Å; S456-R473 PolarHBondContact O-NH2 3.12Å; S456-R473 VanDerWaalsContact O-NH2 3.09Å
457	F	89.2	Confident	91.5	Very high	39 Å²	39	42 Å²	42	17%	0.171	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-63.6	140.6	169.1	-166.2	-83.8	0	0	0	109.8	L446 L450 G459 R461 D467 N470	L446-F457 HydrophobicContact CD2-CE2 4.22Å; L450-F457 HydrophobicContact CD1-CB 4.14Å; L450-F457 HydrophobicContact CD1-CD2 3.55Å; L450-F457 HydrophobicContact CD1-CE2 4.4Å; L450-F457 HydrophobicContact CD1-CG 4.28Å; F457-G459 WeakPolarHBondContact CD1-O 3.27Å; F457-G459 WeakPolarHBondContact CE1-O 3.08Å; F457-R461 HydrophobicContact CD1-CG 4Å; F457-R461 HydrophobicContact CD2-CG 4.11Å; F457-R461 HydrophobicContact CE1-CG 3.84Å; F457-R461 HydrophobicContact CE2-CG 3.96Å; F457-R461 HydrophobicContact CG-CG 4.15Å; F457-R461 HydrophobicContact CZ-CB 4.39Å; F457-R461 HydrophobicContact CZ-CG 3.83Å; F457-D467 WeakPolarHBondContact CE2-OD1 3.47Å; F457-D467 WeakPolarHBondContact CZ-OD1 3.47Å; F457-N470 HydrophobicContact CD2-CB 4.45Å; F457-N470 HydrophobicContact CE2-CB 4.18Å; F457-N470 WeakPolarHBondContact CE2-ND2 3.34Å; F457-N470 VanDerWaalsContact CZ-ND2 3.3Å; F457-N470 WeakPolarHBondContact CZ-ND2 3.32Å
458	V	87.1	Confident	91.6	Very high	22 Å²	22	39.2 Å²	39.2	13%	0.133	21%	0.206	C	C	.	.			trans	-115.9	131	176.4	170.1	0	0	0	0	108.6	L101 T105 N470	L101-V458 HydrophobicContact CD1-CG1 3.9Å; L101-V458 HydrophobicContact CD2-CG1 4.06Å; L101-V458 HydrophobicContact CG-CG1 4.18Å; T105-V458 HydrophobicContact CG2-CB 4.43Å; T105-V458 HydrophobicContact CG2-CG1 4.1Å; T105-V458 HydrophobicContact CG2-CG2 3.52Å; V458-N470 PolarHBondContact N-OD1 3.12Å; V458-N470 VanDerWaalsContact N-OD1 3.09Å; V458-N470 PolarHBondContact O-ND2 2.76Å
459	G	86.5	Confident	91.4	Very high	52 Å²	52	37.7 Å²	37.7	54%	0.536	20%	0.197	S	C	.	.	S	Bend	trans	86.8	-162.6	-176.6	0	0	0	0	0	113.2	F457 D466	F457-G459 WeakPolarHBondContact CD1-O 3.27Å; F457-G459 WeakPolarHBondContact CE1-O 3.08Å; G459-D466 WeakPolarHBondContact CA-OD2 3.46Å
460	Q	86.1	Confident	91.2	Very high	83 Å²	83	37.7 Å²	37.7	39%	0.388	20%	0.197	S	C	.	.			trans	-94.7	131.9	-179.9	-179	58.1	38.4	0	0	110.1	Q359 R463 D466	Q359-Q460 HydrophobicContact CB-CG 4.37Å; Q359-Q460 HydrophobicContact CG-CG 3.97Å; Q460-R463 HydrophobicContact CB-CB 4.34Å; Q460-D466 PolarHBondContact N-OD2 3.21Å; Q460-D466 VanDerWaalsContact O-CB 3.32Å; Q460-D466 WeakPolarHBondContact O-CB 3.44Å
461	R	86.2	Confident	91.3	Very high	123 Å²	123	37.6 Å²	37.6	46%	0.464	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	145.6	175.2	-71.1	178.5	170.8	149.4	0.5	110.5	N447 F457 R463	N447-R461 PolarHBondContact OD1-NE 3.49Å; N447-R461 VanDerWaalsContact OD1-NE 3.1Å; N447-R461 PolarHBondContact OD1-NH2 3.06Å; N447-R461 VanDerWaalsContact OD1-NH2 3.12Å; F457-R461 HydrophobicContact CD1-CG 4Å; F457-R461 HydrophobicContact CD2-CG 4.11Å; F457-R461 HydrophobicContact CE1-CG 3.84Å; F457-R461 HydrophobicContact CE2-CG 3.96Å; F457-R461 HydrophobicContact CG-CG 4.15Å; F457-R461 HydrophobicContact CZ-CB 4.39Å; F457-R461 HydrophobicContact CZ-CG 3.83Å; R461-R463 PolarHBondContact O-N 2.96Å
462	H	87.7	Confident	91.3	Very high	78 Å²	78	31 Å²	31	36%	0.361	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	16.5	-179.1	-52.7	-64.2	0	0	0	114	E300 L357 T358 D467	E300-H462 WeakPolarHBondContact CG-O 3.3Å; L357-H462 HydrophobicContact CD1-CB 4.41Å; L357-H462 WeakPolarHBondContact CD1-CD2 2.96Å; L357-H462 HydrophobicContact CG-CB 4.13Å; L357-H462 VanDerWaalsContact O-CB 3.29Å; L357-H462 WeakPolarHBondContact O-CB 3.01Å; T358-H462 WeakPolarHBondContact CA-O 3.19Å; T358-H462 WeakPolarHBondContact CB-O 3.18Å; H462-D467 WeakPolarHBondContact CA-OD2 3.25Å; H462-D467 PolarHBondContact N-OD2 3.13Å
463	R	89.9	Confident	91.1	Very high	87 Å²	87	31.1 Å²	31.1	33%	0.328	17%	0.166	S	C	.	.			trans	-97.1	116.1	159.7	-178.6	-179.5	-64.9	160.7	-6.7	106	Q460 R461 L465 D466 D467	Q460-R463 HydrophobicContact CB-CB 4.34Å; R461-R463 PolarHBondContact O-N 2.96Å; R463-L465 PolarHBondContact O-N 2.95Å; R463-L465 VanDerWaalsContact O-N 3.13Å; R463-D466 HydrophobicContact CB-CB 4.29Å; R463-D466 WeakPolarHBondContact CD-OD2 3.43Å; R463-D466 IonicContact NH1-OD2 2.73Å; R463-D466 PolarHBondContact NH1-OD2 3.37Å; R463-D466 PolarHBondContact O-N 3.33Å; R463-D467 PolarHBondContact O-N 2.82Å
464	G	91	Very high	91.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-56.2	-40.3	-168.2	0	0	0	0	0	112.2	E300 E321 P323 D466 D467 A468	E300-G464 PolarHBondContact OE1-N 3.48Å; E321-G464 VanDerWaalsContact CD-N 3.31Å; E321-G464 PolarHBondContact OE1-N 3.4Å; E321-G464 PolarHBondContact OE2-N 3.38Å; P323-G464 VanDerWaalsContact CG-C 3.46Å; P323-G464 WeakPolarHBondContact CG-O 3.49Å; G464-D466 PolarHBondContact O-N 3.16Å; G464-D467 PolarHBondContact O-N 2.96Å; G464-A468 VanDerWaalsContact O-CB 3.29Å; G464-A468 WeakPolarHBondContact O-CB 3.43Å; G464-A468 PolarHBondContact O-N 2.77Å
465	L	90.9	Very high	91.4	Very high	28 Å²	28	30.1 Å²	30.1	15%	0.147	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-44.2	177.9	-175.8	59.3	0	0	0	112.7	I93 E321 P323 L325 V337 R463 A468 I469	I93-L465 HydrophobicContact CD1-CD2 4.19Å; E321-L465 PolarHBondContact OE1-N 2.91Å; E321-L465 VanDerWaalsContact OE1-N 3.12Å; P323-L465 HydrophobicContact CB-CB 4.22Å; P323-L465 HydrophobicContact CB-CD1 4.09Å; L325-L465 HydrophobicContact CD2-CD1 3.82Å; V337-L465 HydrophobicContact CG1-CD1 3.88Å; R463-L465 PolarHBondContact O-N 2.95Å; R463-L465 VanDerWaalsContact O-N 3.13Å; L465-A468 PolarHBondContact O-N 3.26Å; L465-I469 HydrophobicContact CG-CD1 4.36Å; L465-I469 VanDerWaalsContact O-CG1 3.28Å; L465-I469 WeakPolarHBondContact O-CG1 3.1Å; L465-I469 PolarHBondContact O-N 3.41Å
466	D	90.5	Very high	91.5	Very high	22 Å²	22	32.4 Å²	32.4	12%	0.118	16%	0.163	C	C	.	.	H	α-helix	trans	-68.9	-40.8	-179.5	-72.1	-18.8	0	0	0	110.4	G459 Q460 R463 G464 I469 N470	G459-D466 WeakPolarHBondContact CA-OD2 3.46Å; Q460-D466 PolarHBondContact N-OD2 3.21Å; Q460-D466 VanDerWaalsContact O-CB 3.32Å; Q460-D466 WeakPolarHBondContact O-CB 3.44Å; R463-D466 HydrophobicContact CB-CB 4.29Å; R463-D466 WeakPolarHBondContact CD-OD2 3.43Å; R463-D466 IonicContact NH1-OD2 2.73Å; R463-D466 PolarHBondContact NH1-OD2 3.37Å; R463-D466 PolarHBondContact O-N 3.33Å; G464-D466 PolarHBondContact O-N 3.16Å; D466-I469 WeakPolarHBondContact O-CB 3.5Å; D466-I469 PolarHBondContact O-N 2.69Å; D466-N470 PolarHBondContact O-N 2.74Å; D466-N470 VanDerWaalsContact O-N 3.1Å; D466-N470 PolarHBondContact O-ND2 2.92Å
467	D	93.6	Very high	91.6	Very high	9 Å²	9	30 Å²	30	5%	0.048	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-44.2	173.3	-77.3	-46.2	0	0	0	111.4	D298 L446 F457 H462 R463 G464 I469 N470 I471	D298-D467 HydrophobicContact CB-CB 4.24Å; D298-D467 WeakPolarHBondContact OD2-CB 3.49Å; L446-D467 HydrophobicContact CD2-CB 3.91Å; L446-D467 VanDerWaalsContact CD2-OD1 3.23Å; L446-D467 WeakPolarHBondContact CD2-OD1 3.44Å; F457-D467 WeakPolarHBondContact CE2-OD1 3.47Å; F457-D467 WeakPolarHBondContact CZ-OD1 3.47Å; H462-D467 WeakPolarHBondContact CA-OD2 3.25Å; H462-D467 PolarHBondContact N-OD2 3.13Å; R463-D467 PolarHBondContact O-N 2.82Å; G464-D467 PolarHBondContact O-N 2.96Å; D467-I469 VanDerWaalsContact C-N 3.29Å; D467-I469 PolarHBondContact O-N 2.74Å; D467-N470 CarbonylContact O-C 3.56Å; D467-N470 WeakPolarHBondContact O-CA 3.28Å; D467-N470 PolarHBondContact O-N 3.01Å; D467-I471 VanDerWaalsContact O-CG1 3.3Å; D467-I471 WeakPolarHBondContact O-CG1 3.21Å; D467-I471 PolarHBondContact O-N 2.66Å
468	A	95	Very high	91.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.9	-38.5	173.8	0	0	0	0	0	112.8	I296 D298 P323 L325 G464 L465 N470 I471 L472	I296-A468 HydrophobicContact CG2-CB 4.37Å; I296-A468 WeakPolarHBondContact CG2-O 3.35Å; D298-A468 HydrophobicContact CB-CB 4.47Å; P323-A468 HydrophobicContact CB-CB 4.42Å; P323-A468 HydrophobicContact CG-CB 4.38Å; L325-A468 VanDerWaalsContact CD1-C 3.47Å; L325-A468 HydrophobicContact CD1-CB 4.04Å; L325-A468 WeakPolarHBondContact CD1-O 3.48Å; L325-A468 HydrophobicContact CG-CB 4.09Å; G464-A468 VanDerWaalsContact O-CB 3.29Å; G464-A468 WeakPolarHBondContact O-CB 3.43Å; G464-A468 PolarHBondContact O-N 2.77Å; L465-A468 PolarHBondContact O-N 3.26Å; A468-N470 VanDerWaalsContact C-N 3.34Å; A468-N470 PolarHBondContact O-N 3.09Å; A468-I471 PolarHBondContact O-N 3.24Å; A468-L472 WeakPolarHBondContact O-CB 3.46Å; A468-L472 PolarHBondContact O-N 2.66Å
469	I	92.5	Very high	92.3	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-62	-43.1	174.3	-70.7	166.3	0	0	0	110.6	L98 L101 L102 L325 L465 D466 D467 L472 R473	L98-I469 HydrophobicContact CD1-CD1 3.57Å; L98-I469 HydrophobicContact CD1-CG1 3.81Å; L101-I469 HydrophobicContact CD2-CD1 4.25Å; L102-I469 HydrophobicContact CD2-CG2 4.09Å; L325-I469 HydrophobicContact CD1-CB 4.47Å; L325-I469 HydrophobicContact CD1-CG1 3.94Å; L465-I469 HydrophobicContact CG-CD1 4.36Å; L465-I469 VanDerWaalsContact O-CG1 3.28Å; L465-I469 WeakPolarHBondContact O-CG1 3.1Å; L465-I469 PolarHBondContact O-N 3.41Å; D466-I469 WeakPolarHBondContact O-CB 3.5Å; D466-I469 PolarHBondContact O-N 2.69Å; D467-I469 VanDerWaalsContact C-N 3.29Å; D467-I469 PolarHBondContact O-N 2.74Å; I469-L472 WeakPolarHBondContact O-CB 3.39Å; I469-L472 PolarHBondContact O-N 2.72Å; I469-R473 WeakPolarHBondContact O-CG 3.37Å; I469-R473 PolarHBondContact O-N 3.48Å
470	N	94.2	Very high	92.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-69	-37.5	177.5	-73.2	-78.4	0	0	0	112.5	L446 L450 F457 V458 D466 D467 A468 L472 R473 I474	L446-N470 HydrophobicContact CD1-CB 4.23Å; L446-N470 HydrophobicContact CD2-CB 4.41Å; L450-N470 HydrophobicContact CD1-CB 4.13Å; L450-N470 HydrophobicContact CD2-CB 4.32Å; F457-N470 HydrophobicContact CD2-CB 4.45Å; F457-N470 HydrophobicContact CE2-CB 4.18Å; F457-N470 WeakPolarHBondContact CE2-ND2 3.34Å; F457-N470 VanDerWaalsContact CZ-ND2 3.3Å; F457-N470 WeakPolarHBondContact CZ-ND2 3.32Å; V458-N470 PolarHBondContact N-OD1 3.12Å; V458-N470 VanDerWaalsContact N-OD1 3.09Å; V458-N470 PolarHBondContact O-ND2 2.76Å; D466-N470 PolarHBondContact O-N 2.74Å; D466-N470 VanDerWaalsContact O-N 3.1Å; D466-N470 PolarHBondContact O-ND2 2.92Å; D467-N470 CarbonylContact O-C 3.56Å; D467-N470 WeakPolarHBondContact O-CA 3.28Å; D467-N470 PolarHBondContact O-N 3.01Å; A468-N470 VanDerWaalsContact C-N 3.34Å; A468-N470 PolarHBondContact O-N 3.09Å; N470-L472 VanDerWaalsContact C-N 3.32Å; N470-L472 PolarHBondContact O-N 3.44Å; N470-R473 PolarHBondContact O-N 3.39Å; N470-R473 PolarHBondContact OD1-NH1 3.18Å; N470-I474 WeakPolarHBondContact O-CG1 3.39Å; N470-I474 PolarHBondContact O-N 3.14Å; N470-I474 VanDerWaalsContact O-N 3.07Å
471	I	97.4	Very high	92.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.9	-45.6	170.9	-64.4	168.1	0	0	0	109.7	I296 D298 V396 D398 L428 L446 D467 A468 R473 I474 V475	I296-I471 HydrophobicContact CG2-CB 3.63Å; I296-I471 HydrophobicContact CG2-CG2 3.35Å; D298-I471 HydrophobicContact CB-CD1 3.79Å; V396-I471 HydrophobicContact CG1-CG2 4.28Å; D398-I471 HydrophobicContact CB-CD1 3.74Å; D398-I471 HydrophobicContact CB-CG1 3.98Å; L428-I471 HydrophobicContact CD2-CB 4.47Å; L428-I471 HydrophobicContact CD2-CG2 3.62Å; L446-I471 HydrophobicContact CD1-CG1 3.85Å; L446-I471 HydrophobicContact CD2-CG1 4.25Å; D467-I471 VanDerWaalsContact O-CG1 3.3Å; D467-I471 WeakPolarHBondContact O-CG1 3.21Å; D467-I471 PolarHBondContact O-N 2.66Å; A468-I471 PolarHBondContact O-N 3.24Å; I471-R473 PolarHBondContact O-N 3.48Å; I471-I474 PolarHBondContact O-N 3.46Å; I471-V475 WeakPolarHBondContact O-CG2 3.45Å; I471-V475 PolarHBondContact O-N 2.82Å
472	L	95.5	Very high	93.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-41.4	176.8	176	58.3	0	0	0	112.2	L102 I296 L325 Y327 C334 A468 I469 N470 I474 V475 R476	L102-L472 HydrophobicContact CD1-CD2 4.05Å; I296-L472 HydrophobicContact CG1-CB 4.19Å; I296-L472 HydrophobicContact CG1-CD1 4.11Å; L325-L472 HydrophobicContact CD1-CB 3.96Å; L325-L472 HydrophobicContact CD1-CD2 3.92Å; Y327-L472 HydrophobicContact CD1-CD1 4.39Å; Y327-L472 HydrophobicContact CD2-CD1 3.45Å; Y327-L472 VanDerWaalsContact CD2-CD1 3.45Å; Y327-L472 HydrophobicContact CD2-CD2 4.47Å; Y327-L472 HydrophobicContact CE2-CD1 4.01Å; Y327-L472 HydrophobicContact CG-CD1 3.65Å; C334-L472 HydrophobicContact CB-CD2 3.93Å; A468-L472 WeakPolarHBondContact O-CB 3.46Å; A468-L472 PolarHBondContact O-N 2.66Å; I469-L472 WeakPolarHBondContact O-CB 3.39Å; I469-L472 PolarHBondContact O-N 2.72Å; N470-L472 VanDerWaalsContact C-N 3.32Å; N470-L472 PolarHBondContact O-N 3.44Å; L472-I474 VanDerWaalsContact C-N 3.32Å; L472-I474 PolarHBondContact O-N 2.85Å; L472-V475 WeakPolarHBondContact O-CB 3.27Å; L472-V475 PolarHBondContact O-N 3.43Å; L472-R476 HydrophobicContact CD1-CG 4.26Å; L472-R476 WeakPolarHBondContact O-CG 3.5Å; L472-R476 PolarHBondContact O-N 3.43Å
473	R	93.5	Very high	93.6	Very high	5 Å²	5	14.3 Å²	14.3	2%	0.019	7%	0.071	C	C	.	.	H	α-helix	trans	-59.3	-43.3	175.8	-72.5	169.8	64.7	-144.1	6.6	111.5	L102 D109 S456 I469 N470 I471 R476 V477	L102-R473 HydrophobicContact CD2-CG 4.12Å; D109-R473 IonicContact OD1-CZ 3.59Å; D109-R473 IonicContact OD1-NE 3.81Å; D109-R473 IonicContact OD1-NH2 2.64Å; D109-R473 PolarHBondContact OD1-NH2 2.99Å; D109-R473 IonicContact OD2-CZ 3.61Å; D109-R473 VanDerWaalsContact OD2-CZ 3.32Å; D109-R473 IonicContact OD2-NE 2.76Å; D109-R473 PolarHBondContact OD2-NE 2.86Å; D109-R473 IonicContact OD2-NH2 2.76Å; D109-R473 PolarHBondContact OD2-NH2 2.83Å; D109-R473 VanDerWaalsContact OD2-NH2 3.12Å; S456-R473 PolarHBondContact O-NH1 3Å; S456-R473 PolarHBondContact O-NH2 3.12Å; S456-R473 VanDerWaalsContact O-NH2 3.09Å; I469-R473 WeakPolarHBondContact O-CG 3.37Å; I469-R473 PolarHBondContact O-N 3.48Å; N470-R473 PolarHBondContact O-N 3.39Å; N470-R473 PolarHBondContact OD1-NH1 3.18Å; I471-R473 PolarHBondContact O-N 3.48Å; R473-R476 PolarHBondContact O-N 3.31Å; R473-V477 WeakPolarHBondContact O-CG2 3.32Å; R473-V477 PolarHBondContact O-N 3.36Å
474	I	96.1	Very high	93.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.9	-44.5	174.4	-65	161.9	0	0	0	111.2	L428 F432 L446 M449 L450 L453 N470 I471 L472 R476 V477 L478	L428-I474 HydrophobicContact CD2-CB 4.09Å; L428-I474 HydrophobicContact CD2-CG2 3.82Å; L428-I474 HydrophobicContact CG-CG2 4.35Å; F432-I474 HydrophobicContact CD2-CG2 4.13Å; F432-I474 HydrophobicContact CE2-CG2 4.43Å; L446-I474 HydrophobicContact CD1-CD1 3.43Å; L446-I474 VanDerWaalsContact CD1-CD1 3.43Å; M449-I474 HydrophobicContact CB-CD1 3.63Å; M449-I474 HydrophobicContact CB-CG1 4.37Å; M449-I474 HydrophobicContact CE-CD1 4.03Å; M449-I474 HydrophobicContact SD-CD1 4.48Å; M449-I474 HydrophobicContact SD-CG2 4.39Å; L450-I474 HydrophobicContact CD2-CD1 4.01Å; L450-I474 HydrophobicContact CD2-CG1 3.92Å; L450-I474 HydrophobicContact CG-CD1 4.11Å; L450-I474 HydrophobicContact CG-CG1 4.49Å; L453-I474 HydrophobicContact CD1-CB 4.31Å; L453-I474 HydrophobicContact CD1-CG1 4.05Å; L453-I474 HydrophobicContact CD1-CG2 4.03Å; N470-I474 WeakPolarHBondContact O-CG1 3.39Å; N470-I474 PolarHBondContact O-N 3.14Å; N470-I474 VanDerWaalsContact O-N 3.07Å; I471-I474 PolarHBondContact O-N 3.46Å; L472-I474 VanDerWaalsContact C-N 3.32Å; L472-I474 PolarHBondContact O-N 2.85Å; I474-R476 VanDerWaalsContact C-N 3.31Å; I474-R476 PolarHBondContact O-N 3.16Å; I474-V477 PolarHBondContact O-N 2.94Å; I474-V477 VanDerWaalsContact O-N 3.17Å; I474-L478 HydrophobicContact CG2-CD1 4Å; I474-L478 HydrophobicContact CG2-CG 4.27Å; I474-L478 PolarHBondContact O-N 2.61Å
475	V	96.3	Very high	93.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-56.3	-45	177.2	163.7	0	0	0	0	111	L294 I296 V396 L428 I471 L472 V477 L478 L479 L485	L294-V475 HydrophobicContact CD1-CG1 3.74Å; I296-V475 HydrophobicContact CD1-CG2 4.19Å; V396-V475 HydrophobicContact CG1-CG2 3.97Å; L428-V475 HydrophobicContact CD1-CG2 3.92Å; L428-V475 HydrophobicContact CD2-CG2 4.19Å; I471-V475 WeakPolarHBondContact O-CG2 3.45Å; I471-V475 PolarHBondContact O-N 2.82Å; L472-V475 WeakPolarHBondContact O-CB 3.27Å; L472-V475 PolarHBondContact O-N 3.43Å; V475-V477 PolarHBondContact O-N 3.5Å; V475-L478 PolarHBondContact O-N 3Å; V475-L479 HydrophobicContact CG1-CD1 3.85Å; V475-L479 HydrophobicContact CG1-CG 4.35Å; V475-L479 WeakPolarHBondContact O-CB 3.03Å; V475-L479 VanDerWaalsContact O-CG 3.31Å; V475-L479 WeakPolarHBondContact O-CG 3.35Å; V475-L479 PolarHBondContact O-N 2.9Å; V475-L485 HydrophobicContact CB-CD1 4.4Å; V475-L485 HydrophobicContact CG1-CD1 3.8Å; V475-L485 HydrophobicContact CG2-CD1 4.19Å
476	R	92.1	Very high	94	Very high	60 Å²	60	14.1 Å²	14.1	23%	0.226	8%	0.079	C	C	.	.	H	α-helix	trans	-61.1	-42.1	177.4	-70.7	179.1	72.5	-173.3	0.1	112.1	Y327 L472 R473 I474 S480	Y327-R476 HydrophobicContact CE2-CG 3.97Å; L472-R476 HydrophobicContact CD1-CG 4.26Å; L472-R476 WeakPolarHBondContact O-CG 3.5Å; L472-R476 PolarHBondContact O-N 3.43Å; R473-R476 PolarHBondContact O-N 3.31Å; I474-R476 VanDerWaalsContact C-N 3.31Å; I474-R476 PolarHBondContact O-N 3.16Å; R476-S480 WeakPolarHBondContact O-CB 3.44Å; R476-S480 PolarHBondContact O-N 3.1Å
477	V	92.9	Very high	94.2	Very high	15 Å²	15	13.2 Å²	13.2	9%	0.091	7%	0.073	C	C	.	.	H	α-helix	trans	-65.6	-46.2	176.4	176.1	0	0	0	0	111.2	L453 L455 R473 I474 V475 L479 S480 D481	L453-V477 HydrophobicContact CD1-CB 4.05Å; L453-V477 HydrophobicContact CD1-CG1 3.98Å; L453-V477 HydrophobicContact CD1-CG2 4.43Å; L453-V477 HydrophobicContact CD2-CG1 3.81Å; L453-V477 HydrophobicContact CG-CG1 4.45Å; L455-V477 HydrophobicContact CD1-CG2 4.31Å; R473-V477 WeakPolarHBondContact O-CG2 3.32Å; R473-V477 PolarHBondContact O-N 3.36Å; I474-V477 PolarHBondContact O-N 2.94Å; I474-V477 VanDerWaalsContact O-N 3.17Å; V475-V477 PolarHBondContact O-N 3.5Å; V477-L479 PolarHBondContact O-N 2.89Å; V477-S480 PolarHBondContact O-N 2.81Å; V477-D481 WeakPolarHBondContact O-CB 3.44Å; V477-D481 PolarHBondContact O-N 2.77Å
478	L	95.6	Very high	94.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.5	-47.4	177.6	-76.7	175.4	0	0	0	111.8	L428 F432 F435 Y436 I474 V475 D481 G482 C483 L485	L428-L478 HydrophobicContact CD1-CD1 3.55Å; L428-L478 HydrophobicContact CG-CD1 4.48Å; F432-L478 HydrophobicContact CD2-CD1 4.35Å; F432-L478 HydrophobicContact CD2-CD2 4.11Å; F432-L478 HydrophobicContact CD2-CG 4.48Å; F435-L478 HydrophobicContact CD1-CD2 3.73Å; F435-L478 HydrophobicContact CE1-CD2 4.36Å; F435-L478 HydrophobicContact CG-CD2 4.36Å; Y436-L478 HydrophobicContact CD2-CD2 4.18Å; Y436-L478 HydrophobicContact CE2-CD2 3.41Å; Y436-L478 VanDerWaalsContact CE2-CD2 3.41Å; I474-L478 HydrophobicContact CG2-CD1 4Å; I474-L478 HydrophobicContact CG2-CG 4.27Å; I474-L478 PolarHBondContact O-N 2.61Å; V475-L478 PolarHBondContact O-N 3Å; L478-D481 PolarHBondContact O-N 3.39Å; L478-G482 PolarHBondContact O-N 3.28Å; L478-C483 HydrophobicContact CB-CB 3.85Å; L478-C483 HydrophobicContact CD2-CB 4.24Å; L478-C483 WeakPolarHBondContact O-CB 3.29Å; L478-C483 PolarHBondContact O-N 3.35Å; L478-L485 HydrophobicContact CD1-CD2 4.13Å
479	L	94.1	Very high	94.2	Very high	7 Å²	7	14.1 Å²	14.1	4%	0.037	8%	0.079	C	C	.	.	H	α-helix	trans	-62.4	-43.1	177.8	-70.9	174.1	0	0	0	111.6	P287 L294 Y327 V475 V477 D481 G482 L485	P287-L479 HydrophobicContact CB-CB 4.22Å; L294-L479 HydrophobicContact CD1-CD1 4.36Å; Y327-L479 HydrophobicContact CE1-CD1 3.78Å; V475-L479 HydrophobicContact CG1-CD1 3.85Å; V475-L479 HydrophobicContact CG1-CG 4.35Å; V475-L479 WeakPolarHBondContact O-CB 3.03Å; V475-L479 VanDerWaalsContact O-CG 3.31Å; V475-L479 WeakPolarHBondContact O-CG 3.35Å; V475-L479 PolarHBondContact O-N 2.9Å; V477-L479 PolarHBondContact O-N 2.89Å; L479-D481 VanDerWaalsContact C-N 3.34Å; L479-D481 PolarHBondContact O-N 3.29Å; L479-G482 PolarHBondContact O-N 2.76Å; L479-L485 HydrophobicContact CD2-CD1 4.05Å; L479-L485 HydrophobicContact CD2-CG 4.23Å; L479-L485 HydrophobicContact CG-CD1 4.1Å
480	S	90.9	Very high	94.2	Very high	37 Å²	37	16 Å²	16	26%	0.259	9%	0.085	S	C	.	.	H	α-helix	trans	-61.1	-42.4	176	-171.1	0	0	0	0	112.1	R212 R476 V477 G482	R212-S480 PolarHBondContact NH1-O 2.88Å; R476-S480 WeakPolarHBondContact O-CB 3.44Å; R476-S480 PolarHBondContact O-N 3.1Å; V477-S480 PolarHBondContact O-N 2.81Å; S480-G482 PolarHBondContact O-N 2.64Å; S480-G482 VanDerWaalsContact O-N 3.16Å
481	D	94.2	Very high	94.1	Very high	9 Å²	9	16.6 Å²	16.6	5%	0.048	9%	0.088	C	C	.	.	H	α-helix	trans	-68.4	-11.7	176.6	-72.5	-1.9	0	0	0	112.7	R205 E208 F435 Y436 V477 L478 L479	R205-D481 IonicContact CZ-OD1 2.61Å; R205-D481 IonicContact CZ-OD2 3.87Å; R205-D481 IonicContact NE-OD1 2.96Å; R205-D481 PolarHBondContact NE-OD1 3.05Å; R205-D481 IonicContact NE-OD2 3.57Å; R205-D481 PolarHBondContact NE-OD2 3.29Å; R205-D481 VanDerWaalsContact NE-OD2 3.07Å; R205-D481 IonicContact NH2-OD1 3Å; R205-D481 PolarHBondContact NH2-OD1 2.99Å; R205-D481 IonicContact NH2-OD2 3.07Å; R205-D481 PolarHBondContact NH2-OD2 3.26Å; E208-D481 VanDerWaalsContact CG-O 3.25Å; E208-D481 WeakPolarHBondContact CG-O 2.97Å; F435-D481 HydrophobicContact CE1-CB 3.65Å; F435-D481 HydrophobicContact CZ-CB 3.79Å; Y436-D481 PolarHBondContact OH-OD2 2.73Å; V477-D481 WeakPolarHBondContact O-CB 3.44Å; V477-D481 PolarHBondContact O-N 2.77Å; L478-D481 PolarHBondContact O-N 3.39Å; L479-D481 VanDerWaalsContact C-N 3.34Å; L479-D481 PolarHBondContact O-N 3.29Å
482	G	93.6	Very high	93.9	Very high	8 Å²	8	17.8 Å²	17.8	8%	0.082	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	16.4	177.2	0	0	0	0	0	114.6	L478 L479 S480 S484	L478-G482 PolarHBondContact O-N 3.28Å; L479-G482 PolarHBondContact O-N 2.76Å; S480-G482 PolarHBondContact O-N 2.64Å; S480-G482 VanDerWaalsContact O-N 3.16Å; G482-S484 PolarHBondContact O-N 2.9Å
483	C	95.4	Very high	93.6	Very high	7 Å²	7	23.2 Å²	23.2	5%	0.047	12%	0.118	C	C	.	.			trans	-67.9	119.6	173.2	-170.7	0	0	0	0	110.4	F435 L478 L485	F435-C483 HydrophobicContact CB-CB 4.48Å; F435-C483 HydrophobicContact CD1-CB 4.08Å; F435-C483 HydrophobicContact CD2-CB 3.59Å; F435-C483 HydrophobicContact CE1-CB 4.2Å; F435-C483 VanDerWaalsContact CE2-CA 3.48Å; F435-C483 HydrophobicContact CE2-CB 3.73Å; F435-C483 HydrophobicContact CG-CB 3.78Å; F435-C483 HydrophobicContact CZ-CB 4.03Å; L478-C483 HydrophobicContact CB-CB 3.85Å; L478-C483 HydrophobicContact CD2-CB 4.24Å; L478-C483 WeakPolarHBondContact O-CB 3.29Å; L478-C483 PolarHBondContact O-N 3.35Å; C483-L485 PolarHBondContact O-N 3.01Å
484	S	93.4	Very high	93.5	Very high	67 Å²	67	29.1 Å²	29.1	47%	0.469	15%	0.15	S	C	.	.			trans	-79.5	92.1	167.2	-59.9	0	0	0	0	109.6	G482 R486	G482-S484 PolarHBondContact O-N 2.9Å; S484-R486 PolarHBondContact O-N 3.49Å
485	L	94.1	Very high	93.2	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.175	C	C	.	.			trans	-64.4	125.6	174.7	-68.1	176.7	0	0	0	109.6	Y291 L294 I426 L428 V475 L478 L479 C483	Y291-L485 VanDerWaalsContact CE2-O 3.27Å; Y291-L485 WeakPolarHBondContact CE2-O 3.38Å; L294-L485 HydrophobicContact CD1-CD1 4.21Å; I426-L485 HydrophobicContact CD1-CB 4.01Å; I426-L485 HydrophobicContact CG2-CD2 4.45Å; L428-L485 HydrophobicContact CD1-CD2 4.31Å; V475-L485 HydrophobicContact CB-CD1 4.4Å; V475-L485 HydrophobicContact CG1-CD1 3.8Å; V475-L485 HydrophobicContact CG2-CD1 4.19Å; L478-L485 HydrophobicContact CD1-CD2 4.13Å; L479-L485 HydrophobicContact CD2-CD1 4.05Å; L479-L485 HydrophobicContact CD2-CG 4.23Å; L479-L485 HydrophobicContact CG-CD1 4.1Å; C483-L485 PolarHBondContact O-N 3.01Å
486	R	93.9	Very high	92.7	Very high	42 Å²	42	39.7 Å²	39.7	16%	0.158	20%	0.201	C	C	.	.			trans	-138.1	150	178.5	-63.9	-66.2	-179.8	-81.8	0.7	109.4	D288 F290 S484 N488	D288-R486 IonicContact OD1-CZ 3.43Å; D288-R486 IonicContact OD1-NH1 2.67Å; D288-R486 IonicContact OD1-NH2 3.34Å; D288-R486 PolarHBondContact OD1-NH2 3.3Å; D288-R486 IonicContact OD2-CZ 3.86Å; D288-R486 IonicContact OD2-NH1 2.81Å; D288-R486 PolarHBondContact OD2-NH1 3.04Å; D288-R486 IonicContact OD2-NH2 3.64Å; D288-R486 PolarHBondContact OD2-NH2 2.81Å; F290-R486 VanDerWaalsContact CB-NH2 3.28Å; F290-R486 VanDerWaalsContact CG-CZ 3.4Å; S484-R486 PolarHBondContact O-N 3.49Å; R486-N488 PolarHBondContact O-N 3.46Å
487	V	93.7	Very high	92.2	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	23%	0.227	C	C	.	.			trans	-51.8	131.7	171.7	-67.9	0	0	0	0	110	Y291 A394 I424 I426 V503 T508 T511	Y291-V487 PolarHBondContact OH-N 3.07Å; A394-V487 HydrophobicContact CB-CG1 4.14Å; I424-V487 HydrophobicContact CD1-CB 4.36Å; I424-V487 HydrophobicContact CD1-CG1 3.97Å; I424-V487 HydrophobicContact CD1-CG2 4.28Å; I424-V487 HydrophobicContact CG1-CG1 4.29Å; I426-V487 HydrophobicContact CG1-CG1 4.17Å; V487-V503 HydrophobicContact CG2-CG1 4.4Å; V487-T508 WeakPolarHBondContact O-CG2 3.43Å; V487-T511 WeakPolarHBondContact CG2-OG1 3.43Å
488	N	94.2	Very high	91.7	Very high	28 Å²	28	44.4 Å²	44.4	15%	0.15	24%	0.241	C	C	.	.			trans	-136.1	-10.2	-171.7	63.3	17.8	0	0	0	112.6	W425 N427 S431 R486 S502 V503	W425-N488 PolarHBondContact O-N 2.75Å; N427-N488 WeakPolarHBondContact CB-OD1 3.42Å; N427-N488 PolarHBondContact N-OD1 3.29Å; N427-N488 PolarHBondContact O-ND2 3.37Å; S431-N488 PolarHBondContact OG-ND2 3.44Å; R486-N488 PolarHBondContact O-N 3.46Å; N488-S502 WeakPolarHBondContact O-CA 3.29Å; N488-V503 PolarHBondContact O-N 3.31Å; N488-V503 VanDerWaalsContact O-N 3.15Å
489	E	94.4	Very high	91.4	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.4	173.9	-71	-171	162.5	0	0	111.7	S400 I424 W425 N427 K430 V500 S501 V503	S400-E489 VanDerWaalsContact CB-OE2 3.3Å; S400-E489 WeakPolarHBondContact CB-OE2 3.36Å; S400-E489 PolarHBondContact OG-OE1 3.04Å; S400-E489 PolarHBondContact OG-OE2 3.36Å; I424-E489 WeakPolarHBondContact CA-O 3.1Å; W425-E489 HydrophobicContact CD2-CB 4.16Å; W425-E489 HydrophobicContact CG-CB 4.5Å; W425-E489 HydrophobicContact CZ2-CB 3.74Å; W425-E489 PolarHBondContact N-O 2.97Å; W425-E489 PolarHBondContact NE1-OE2 3.18Å; W425-E489 PolarHBondContact O-N 3.37Å; N427-E489 HydrophobicContact CB-CG 4Å; N427-E489 WeakPolarHBondContact CB-OE2 3.44Å; N427-E489 VanDerWaalsContact ND2-CD 3.33Å; N427-E489 PolarHBondContact ND2-OE1 3.04Å; N427-E489 PolarHBondContact ND2-OE2 2.78Å; K430-E489 HydrophobicContact CD-CG 4.16Å; K430-E489 WeakPolarHBondContact CD-OE1 3.35Å; K430-E489 WeakPolarHBondContact CE-OE1 3.37Å; K430-E489 IonicContact NZ-OE1 2.81Å; K430-E489 PolarHBondContact NZ-OE1 3.26Å; E489-V500 HydrophobicContact CB-CG1 4.14Å; E489-V500 HydrophobicContact CG-CG1 3.96Å; E489-S501 WeakPolarHBondContact CA-O 3.44Å; E489-V503 WeakPolarHBondContact O-CG2 3.23Å
490	R	93.6	Very high	91.3	Very high	45 Å²	45	46.5 Å²	46.5	17%	0.17	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.5	173.3	68	178.1	-170.9	129.7	6	110.3	N423 I424 D492 V500 S501 V503 L522	N423-R490 CarbonylContact O-C 3.5Å; N423-R490 WeakPolarHBondContact O-CA 3.45Å; N423-R490 WeakPolarHBondContact O-CB 3.13Å; I424-R490 HydrophobicContact CG2-CB 3.76Å; R490-D492 IonicContact NH2-OD2 2.84Å; R490-V500 WeakPolarHBondContact O-CA 3.47Å; R490-S501 PolarHBondContact N-O 3.34Å; R490-S501 PolarHBondContact O-N 3.02Å; R490-V503 HydrophobicContact CB-CG2 4.11Å; R490-V503 HydrophobicContact CG-CG2 4.44Å; R490-L522 PolarHBondContact NH1-O 3.23Å
491	I	91.4	Very high	91.4	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.067	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	140.2	168.7	-141.3	164.4	0	0	0	109.8	R408 M418 N423 W425 F493 F499	R408-I491 HydrophobicContact CB-CD1 4.22Å; R408-I491 HydrophobicContact CG-CD1 4.32Å; M418-I491 HydrophobicContact CE-CD1 3.69Å; N423-I491 HydrophobicContact CB-CG2 4.32Å; N423-I491 PolarHBondContact O-N 3.05Å; N423-I491 WeakPolarHBondContact OD1-CG2 3.25Å; W425-I491 HydrophobicContact CZ3-CB 4.28Å; I491-F493 HydrophobicContact CD1-CE1 4.17Å; I491-F493 HydrophobicContact CD1-CZ 3.88Å; I491-F493 HydrophobicContact CG1-CZ 4.35Å; I491-F493 HydrophobicContact CG2-CD2 4.19Å; I491-F493 HydrophobicContact CG2-CE2 3.63Å; I491-F493 HydrophobicContact CG2-CZ 4.05Å; I491-F499 CarbonylContact C-O 3.6Å; I491-F499 WeakPolarHBondContact CA-O 3.12Å
492	D	92.6	Very high	91.4	Very high	24 Å²	24	48.9 Å²	48.9	13%	0.128	27%	0.269	C	S	.	.			trans	-139.1	96.6	177.7	-165.8	-20.8	0	0	0	109.6	R490 D494 R495 F499 S501	R490-D492 IonicContact NH2-OD2 2.84Å; D492-D494 PolarHBondContact O-N 3.24Å; D492-D494 PolarHBondContact OD1-N 2.82Å; D492-R495 HydrophobicContact CB-CB 4.23Å; D492-R495 PolarHBondContact O-N 3.29Å; D492-R495 VanDerWaalsContact O-N 3.11Å; D492-F499 PolarHBondContact N-O 3.26Å; D492-F499 VanDerWaalsContact O-CA 3.31Å; D492-F499 WeakPolarHBondContact O-CA 3.36Å; D492-S501 WeakPolarHBondContact CB-OG 3.28Å; D492-S501 VanDerWaalsContact OD2-CB 3.31Å; D492-S501 WeakPolarHBondContact OD2-CB 3.42Å; D492-S501 PolarHBondContact OD2-OG 2.83Å
493	F	90.1	Very high	91.1	Very high	116 Å²	116	49.1 Å²	49.1	51%	0.509	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.4	-177.1	-67	-73.1	0	0	0	113.2	R408 M418 I491 R495	R408-F493 HydrophobicContact CG-CE1 4.26Å; M418-F493 HydrophobicContact CG-CZ 4.26Å; I491-F493 HydrophobicContact CD1-CE1 4.17Å; I491-F493 HydrophobicContact CD1-CZ 3.88Å; I491-F493 HydrophobicContact CG1-CZ 4.35Å; I491-F493 HydrophobicContact CG2-CD2 4.19Å; I491-F493 HydrophobicContact CG2-CE2 3.63Å; I491-F493 HydrophobicContact CG2-CZ 4.05Å; F493-R495 VanDerWaalsContact C-N 3.26Å; F493-R495 PolarHBondContact O-N 2.98Å
494	D	91.7	Very high	90.6	Very high	129 Å²	129	51.2 Å²	51.2	69%	0.69	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	1.2	178.3	-59.6	-39.2	0	0	0	112.7	D492 P496	D492-D494 PolarHBondContact O-N 3.24Å; D492-D494 PolarHBondContact OD1-N 2.82Å; D494-P496 WeakPolarHBondContact O-CD 3.25Å
495	R	89.1	Confident	89.7	Confident	136 Å²	136	58.6 Å²	58.6	51%	0.513	30%	0.3	S	S	.	.	S	Bend	trans	-124.2	54.7	-174.8	-156.2	-174.9	-179.2	179.8	1.4	115.2	D492 F493 S498 F499 V500	D492-R495 HydrophobicContact CB-CB 4.23Å; D492-R495 PolarHBondContact O-N 3.29Å; D492-R495 VanDerWaalsContact O-N 3.11Å; F493-R495 VanDerWaalsContact C-N 3.26Å; F493-R495 PolarHBondContact O-N 2.98Å; R495-S498 PolarHBondContact O-N 2.88Å; R495-S498 PolarHBondContact O-OG 3.04Å; R495-S498 VanDerWaalsContact O-OG 3.1Å; R495-F499 PolarHBondContact O-N 2.81Å; R495-V500 WeakPolarHBondContact CD-O 3.49Å; R495-V500 PolarHBondContact NH1-O 3.34Å
496	P	86.3	Confident	88.7	Confident	85 Å²	85	64.9 Å²	64.9	55%	0.552	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	152.8	170.5	29.5	-35	0	0	0	111.6	D494 F499	D494-P496 WeakPolarHBondContact O-CD 3.25Å; P496-F499 HydrophobicContact CB-CE1 3.86Å; P496-F499 HydrophobicContact CB-CE2 4.17Å; P496-F499 HydrophobicContact CB-CZ 3.61Å
497	P	80.7	Confident	87.6	Confident	119 Å²	119	64.3 Å²	64.3	77%	0.773	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84.9	-6.9	-3.5	35.2	-35.6	0	0	0	113.2	F499	P497-F499 WeakPolarHBondContact O-CD2 3.21Å; P497-F499 WeakPolarHBondContact O-CE2 3.32Å
498	S	82.8	Confident	86.5	Confident	55 Å²	55	65.2 Å²	65.2	39%	0.385	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-36	-175.2	66.3	0	0	0	0	113.3	R495 V500	R495-S498 PolarHBondContact O-N 2.88Å; R495-S498 PolarHBondContact O-OG 3.04Å; R495-S498 VanDerWaalsContact O-OG 3.1Å; S498-V500 WeakPolarHBondContact O-CG2 3.13Å; S498-V500 PolarHBondContact O-N 2.98Å; S498-V500 VanDerWaalsContact O-N 3.11Å
499	F	89.8	Confident	85	Confident	37 Å²	37	70.7 Å²	70.7	16%	0.162	36%	0.358	C	S	.	.			trans	52	24.9	-171.7	-56	-82.8	0	0	0	114.5	R408 I491 D492 R495 P496 P497	R408-F499 VanDerWaalsContact NE-CD2 3.32Å; R408-F499 VanDerWaalsContact NH2-CD2 3.29Å; I491-F499 CarbonylContact C-O 3.6Å; I491-F499 WeakPolarHBondContact CA-O 3.12Å; D492-F499 PolarHBondContact N-O 3.26Å; D492-F499 VanDerWaalsContact O-CA 3.31Å; D492-F499 WeakPolarHBondContact O-CA 3.36Å; R495-F499 PolarHBondContact O-N 2.81Å; P496-F499 HydrophobicContact CB-CE1 3.86Å; P496-F499 HydrophobicContact CB-CE2 4.17Å; P496-F499 HydrophobicContact CB-CZ 3.61Å; P497-F499 WeakPolarHBondContact O-CD2 3.21Å; P497-F499 WeakPolarHBondContact O-CE2 3.32Å
500	V	91.7	Very high	83.3	Confident	15 Å²	15	76.3 Å²	76.3	9%	0.091	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.2	-178	179.1	0	0	0	0	111.4	S404 W425 E489 R490 R495 S498	S404-V500 WeakPolarHBondContact OG-CG2 3.32Å; W425-V500 HydrophobicContact CH2-CG2 4.24Å; W425-V500 HydrophobicContact CZ2-CG1 4.39Å; W425-V500 HydrophobicContact CZ2-CG2 4.03Å; E489-V500 HydrophobicContact CB-CG1 4.14Å; E489-V500 HydrophobicContact CG-CG1 3.96Å; R490-V500 WeakPolarHBondContact O-CA 3.47Å; R495-V500 WeakPolarHBondContact CD-O 3.49Å; R495-V500 PolarHBondContact NH1-O 3.34Å; S498-V500 WeakPolarHBondContact O-CG2 3.13Å; S498-V500 PolarHBondContact O-N 2.98Å; S498-V500 VanDerWaalsContact O-N 3.11Å
501	S	93.6	Very high	81.2	Confident	15 Å²	15	74.8 Å²	74.8	11%	0.105	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.7	166.7	-81.5	0	0	0	0	111.4	E489 R490 D492	E489-S501 WeakPolarHBondContact CA-O 3.44Å; R490-S501 PolarHBondContact N-O 3.34Å; R490-S501 PolarHBondContact O-N 3.02Å; D492-S501 WeakPolarHBondContact CB-OG 3.28Å; D492-S501 VanDerWaalsContact OD2-CB 3.31Å; D492-S501 WeakPolarHBondContact OD2-CB 3.42Å; D492-S501 PolarHBondContact OD2-OG 2.83Å
502	S	92.7	Very high	78.8	Confident	81 Å²	81	75 Å²	75	57%	0.566	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	143.8	173	55.4	0	0	0	0	110.9	N488	N488-S502 WeakPolarHBondContact O-CA 3.29Å
503	V	89	Confident	76.5	Confident	12 Å²	12	74.4 Å²	74.4	7%	0.073	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-77.1	127.9	171.2	-176.7	0	0	0	0	109.6	V487 N488 E489 R490 M507 T508	V487-V503 HydrophobicContact CG2-CG1 4.4Å; N488-V503 PolarHBondContact O-N 3.31Å; N488-V503 VanDerWaalsContact O-N 3.15Å; E489-V503 WeakPolarHBondContact O-CG2 3.23Å; R490-V503 HydrophobicContact CB-CG2 4.11Å; R490-V503 HydrophobicContact CG-CG2 4.44Å; V503-M507 HydrophobicContact CG1-CB 3.91Å; V503-T508 HydrophobicContact CB-CG2 4Å; V503-T508 HydrophobicContact CG1-CG2 3.73Å
504	P	83.6	Confident	74.4	Confident	52 Å²	52	71.2 Å²	71.2	34%	0.338	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-59.4	138.9	175.9	-24	33.9	0	0	0	112.3	H506 M507 T508	P504-H506 VanDerWaalsContact C-N 3.31Å; P504-H506 PolarHBondContact O-N 3.28Å; P504-M507 HydrophobicContact CB-CG 4.16Å; P504-M507 HydrophobicContact CB-SD 4.45Å; P504-M507 HydrophobicContact CG-CG 4.4Å; P504-M507 HydrophobicContact CG-SD 4.05Å; P504-M507 WeakPolarHBondContact O-CA 3.44Å; P504-M507 VanDerWaalsContact O-CB 3.28Å; P504-M507 WeakPolarHBondContact O-CB 3.49Å; P504-M507 PolarHBondContact O-N 2.92Å; P504-T508 WeakPolarHBondContact O-CG2 3.34Å; P504-T508 PolarHBondContact O-N 3.24Å; P504-T508 VanDerWaalsContact O-N 3.08Å
505	R	74.6	Confident	72.3	Confident	222 Å²	222	66.1 Å²	66.1	84%	0.838	35%	0.35	S	S	*	.	H	α-helix	trans	-55.7	-37.2	-174.8	-71.3	-173.6	-175.4	168.1	2.2	115.2	M507 T508	R505-M507 PolarHBondContact O-N 3.43Å; R505-T508 PolarHBondContact O-N 2.89Å; R505-T508 PolarHBondContact O-OG1 2.9Å
506	H	73.4	Confident	70	Confident	134 Å²	134	61.2 Å²	61.2	62%	0.62	34%	0.342	S	S	*	.	H	α-helix	trans	-66.9	-28.3	177.7	68.9	-89	0	0	0	111.4	P504 V510	P504-H506 VanDerWaalsContact C-N 3.31Å; P504-H506 PolarHBondContact O-N 3.28Å; H506-V510 WeakPolarHBondContact O-CG2 3.49Å
507	M	71.6	Confident	67.7	Low	30 Å²	30	60.4 Å²	60.4	15%	0.148	34%	0.339	C	S	.	.	H	α-helix	trans	-75.7	-41.7	174.2	-59.3	-167.7	71.4	0	0	110.1	V503 P504 R505 Q509 V510 T511 L522	V503-M507 HydrophobicContact CG1-CB 3.91Å; P504-M507 HydrophobicContact CB-CG 4.16Å; P504-M507 HydrophobicContact CB-SD 4.45Å; P504-M507 HydrophobicContact CG-CG 4.4Å; P504-M507 HydrophobicContact CG-SD 4.05Å; P504-M507 WeakPolarHBondContact O-CA 3.44Å; P504-M507 VanDerWaalsContact O-CB 3.28Å; P504-M507 WeakPolarHBondContact O-CB 3.49Å; P504-M507 PolarHBondContact O-N 2.92Å; R505-M507 PolarHBondContact O-N 3.43Å; M507-Q509 PolarHBondContact O-N 3.39Å; M507-V510 CarbonylContact O-C 3.55Å; M507-V510 PolarHBondContact O-N 2.93Å; M507-T511 VanDerWaalsContact C-OG1 3.31Å; M507-T511 HydrophobicContact CB-CG2 3.83Å; M507-T511 HydrophobicContact CE-CG2 3.91Å; M507-T511 WeakPolarHBondContact O-CB 3.43Å; M507-T511 WeakPolarHBondContact O-CG2 3.35Å; M507-T511 PolarHBondContact O-N 3.48Å; M507-T511 PolarHBondContact O-OG1 3.34Å; M507-L522 HydrophobicContact CE-CD1 4.2Å; M507-L522 HydrophobicContact CE-CD2 3.22Å; M507-L522 HydrophobicContact CE-CG 3.52Å; M507-L522 HydrophobicContact SD-CD2 3.38Å; M507-L522 WeakPolarHBondContact SD-CD2 3.46Å; M507-L522 HydrophobicContact SD-CG 4.35Å
508	T	70.2	Confident	66	Low	20 Å²	20	62.1 Å²	62.1	12%	0.123	33%	0.334	C	S	.	.	H	α-helix	trans	-56.3	-25.3	-176.9	70.6	0	0	0	0	114.3	V487 V503 P504 R505	V487-T508 WeakPolarHBondContact O-CG2 3.43Å; V503-T508 HydrophobicContact CB-CG2 4Å; V503-T508 HydrophobicContact CG1-CG2 3.73Å; P504-T508 WeakPolarHBondContact O-CG2 3.34Å; P504-T508 PolarHBondContact O-N 3.24Å; P504-T508 VanDerWaalsContact O-N 3.08Å; R505-T508 PolarHBondContact O-N 2.89Å; R505-T508 PolarHBondContact O-OG1 2.9Å
509	Q	62.6	Low	63.8	Low	143 Å²	143	61.3 Å²	61.3	67%	0.668	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-17.5	176.5	-64.1	-178.2	-7.6	0	0	114.5	F290 M507	F290-Q509 VanDerWaalsContact CZ-O 3.29Å; F290-Q509 WeakPolarHBondContact CZ-O 3.43Å; M507-Q509 PolarHBondContact O-N 3.39Å
510	V	57.9	Low	61.1	Low	119 Å²	119	65.4 Å²	65.4	72%	0.721	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-29	-177.2	-173.1	0	0	0	0	111.7	H506 M507 S512	H506-V510 WeakPolarHBondContact O-CG2 3.49Å; M507-V510 CarbonylContact O-C 3.55Å; M507-V510 PolarHBondContact O-N 2.93Å; V510-S512 PolarHBondContact O-N 2.76Å
511	T	50.1	Low	58.3	Low	14 Å²	14	72.1 Å²	72.1	9%	0.086	39%	0.387	C	S	.	.			trans	-77	71.6	174.5	59.3	0	0	0	0	109.3	V487 M507 L519	V487-T511 WeakPolarHBondContact CG2-OG1 3.43Å; M507-T511 VanDerWaalsContact C-OG1 3.31Å; M507-T511 HydrophobicContact CB-CG2 3.83Å; M507-T511 HydrophobicContact CE-CG2 3.91Å; M507-T511 WeakPolarHBondContact O-CB 3.43Å; M507-T511 WeakPolarHBondContact O-CG2 3.35Å; M507-T511 PolarHBondContact O-N 3.48Å; M507-T511 PolarHBondContact O-OG1 3.34Å; T511-L519 HydrophobicContact CG2-CD2 3.97Å
512	S	39.9	Very low	55.4	Low	17 Å²	17	72.8 Å²	72.8	12%	0.119	39%	0.39	C	S	.	.			trans	-110.9	74.5	144	-64.3	0	0	0	0	106	F290 Y291 R392 V510	F290-S512 WeakPolarHBondContact CE1-OG 3.42Å; F290-S512 WeakPolarHBondContact CZ-OG 3.46Å; Y291-S512 VanDerWaalsContact CE1-OG 3.23Å; Y291-S512 WeakPolarHBondContact CE1-OG 3.44Å; R392-S512 VanDerWaalsContact CZ-CB 3.48Å; R392-S512 PolarHBondContact NE-OG 3.05Å; R392-S512 PolarHBondContact NH2-OG 3.37Å; V510-S512 PolarHBondContact O-N 2.76Å
513	G	44.4	Very low	52.4	Low	11 Å²	11	73.2 Å²	73.2	11%	0.113	39%	0.393	C	S	.	.			trans	-71.2	128.9	170.6	0	0	0	0	0	107.2	M515	G513-M515 PolarHBondContact O-N 3.48Å
514	L	47.3	Very low	49.8	Very low	50 Å²	50	76.6 Å²	76.6	26%	0.262	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-25.8	134.2	150.4	-85.5	83.3	0	0	0	109.7	A389 N390 G516 S517	A389-L514 WeakPolarHBondContact O-CB 3.39Å; A389-L514 VanDerWaalsContact O-CD2 3.3Å; A389-L514 WeakPolarHBondContact O-CD2 3.41Å; A389-L514 VanDerWaalsContact O-CG 3.23Å; A389-L514 WeakPolarHBondContact O-CG 3.22Å; N390-L514 HydrophobicContact CB-CD2 4.45Å; N390-L514 WeakPolarHBondContact OD1-CD2 3.35Å; L514-G516 PolarHBondContact O-N 2.84Å; L514-S517 WeakPolarHBondContact CB-OG 3.44Å; L514-S517 WeakPolarHBondContact CD2-OG 3.5Å; L514-S517 PolarHBondContact O-N 3.46Å
515	M	46.7	Very low	47.2	Very low	21 Å²	21	79.1 Å²	79.1	10%	0.103	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	107.2	173.6	-69.8	-173.5	85.7	0	0	108.5	L295 L382 F383 L388 C393 W421 G513	L295-M515 HydrophobicContact CD2-CE 3.61Å; L382-M515 HydrophobicContact CB-CE 4.39Å; L382-M515 HydrophobicContact CD1-CE 3.7Å; L382-M515 HydrophobicContact CD2-CE 4.06Å; L382-M515 HydrophobicContact CD2-SD 4.5Å; L382-M515 HydrophobicContact CG-CE 4.27Å; F383-M515 HydrophobicContact CD1-CB 4.39Å; F383-M515 HydrophobicContact CD1-SD 4.46Å; F383-M515 HydrophobicContact CE1-CB 3.44Å; F383-M515 VanDerWaalsContact CE1-CB 3.44Å; F383-M515 HydrophobicContact CE1-CE 3.94Å; F383-M515 HydrophobicContact CE1-CG 4.15Å; F383-M515 HydrophobicContact CE1-SD 3.7Å; F383-M515 HydrophobicContact CZ-CB 4.14Å; F383-M515 HydrophobicContact CZ-CE 4.2Å; L388-M515 HydrophobicContact CB-SD 3.54Å; L388-M515 VanDerWaalsContact CB-SD 3.54Å; L388-M515 HydrophobicContact CD1-SD 4Å; L388-M515 HydrophobicContact CG-SD 4.44Å; C393-M515 HydrophobicContact CB-CG 3.75Å; C393-M515 HydrophobicContact CB-SD 4.13Å; W421-M515 HydrophobicContact CB-CB 4.43Å; W421-M515 HydrophobicContact CB-CE 4.05Å; W421-M515 HydrophobicContact CD2-CE 4.25Å; W421-M515 HydrophobicContact CE3-CE 4.17Å; W421-M515 HydrophobicContact CG-CE 4.2Å; G513-M515 PolarHBondContact O-N 3.48Å
516	G	40.3	Very low	45.1	Very low	33 Å²	33	73.8 Å²	73.8	34%	0.34	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	-8.6	173.6	0	0	0	0	0	120.6	S420 L514	S420-G516 WeakPolarHBondContact OG-CA 3.39Å; L514-G516 PolarHBondContact O-N 2.84Å
517	S	39.8	Very low	43.1	Very low	69 Å²	69	78.5 Å²	78.5	48%	0.483	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-14.3	-167.8	62.8	0	0	0	0	119.3	L514	L514-S517 WeakPolarHBondContact CB-OG 3.44Å; L514-S517 WeakPolarHBondContact CD2-OG 3.5Å; L514-S517 PolarHBondContact O-N 3.46Å
518	K	43.2	Very low	41.3	Very low	154 Å²	154	87 Å²	87	67%	0.67	48%	0.476	S	S	*	.	S	Bend	trans	-114.5	11.4	-177.8	-100.2	-179.1	179.6	176.8	0	117.2
519	L	37.7	Very low	39.6	Very low	38 Å²	38	92.9 Å²	92.9	20%	0.199	51%	0.507	C	S	.	.			trans	-99	8	-178.5	-70.7	162.9	0	0	0	115.6	I424 T511 L521 L522	I424-L519 HydrophobicContact CD1-CD1 3.33Å; I424-L519 HydrophobicContact CD1-CD2 3.62Å; I424-L519 HydrophobicContact CD1-CG 4.07Å; I424-L519 HydrophobicContact CG1-CD1 3.59Å; I424-L519 HydrophobicContact CG2-CD1 4.2Å; I424-L519 HydrophobicContact CG2-CD2 4.31Å; T511-L519 HydrophobicContact CG2-CD2 3.97Å; L519-L521 PolarHBondContact O-N 3.47Å; L519-L521 VanDerWaalsContact O-N 3.08Å; L519-L522 HydrophobicContact CD2-CD1 3.78Å; L519-L522 PolarHBondContact O-N 3.37Å
520	V	33.3	Very low	38.2	Very low	124 Å²	124	95.7 Å²	95.7	75%	0.752	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-60.4	-17.8	173.8	178.8	0	0	0	0	112.4	L522 S523	V520-L522 PolarHBondContact O-N 2.87Å; V520-L522 VanDerWaalsContact O-N 3.15Å; V520-S523 PolarHBondContact O-OG 2.8Å
521	L	32.2	Very low	37.1	Very low	155 Å²	155	95.9 Å²	95.9	81%	0.812	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-74.9	6	178.5	-70	169.8	0	0	0	115.4	L519	L519-L521 PolarHBondContact O-N 3.47Å; L519-L521 VanDerWaalsContact O-N 3.08Å
522	L	32.8	Very low	36.4	Very low	29 Å²	29	105.3 Å²	105.3	15%	0.152	56%	0.561	C	S	.	*	G	3₁₀ helix	trans	-106.6	-0	-177.5	-81.1	172.8	0	0	0	115.1	I424 R490 M507 L519 V520	I424-L522 HydrophobicContact CG2-CD1 4.17Å; R490-L522 PolarHBondContact NH1-O 3.23Å; M507-L522 HydrophobicContact CE-CD1 4.2Å; M507-L522 HydrophobicContact CE-CD2 3.22Å; M507-L522 HydrophobicContact CE-CG 3.52Å; M507-L522 HydrophobicContact SD-CD2 3.38Å; M507-L522 WeakPolarHBondContact SD-CD2 3.46Å; M507-L522 HydrophobicContact SD-CG 4.35Å; L519-L522 HydrophobicContact CD2-CD1 3.78Å; L519-L522 PolarHBondContact O-N 3.37Å; V520-L522 PolarHBondContact O-N 2.87Å; V520-L522 VanDerWaalsContact O-N 3.15Å
523	S	29.8	Very low	36.1	Very low	91 Å²	91	109.7 Å²	109.7	64%	0.636	59%	0.592	S	S	*	*	S	Bend	trans	-72.1	127.7	170.5	51.8	0	0	0	0	109.7	V520 S525	V520-S523 PolarHBondContact O-OG 2.8Å; S523-S525 PolarHBondContact O-N 3.23Å; S523-S525 VanDerWaalsContact O-N 3.16Å
524	P	34	Very low	35.7	Very low	83 Å²	83	114.4 Å²	114.4	54%	0.539	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-60	121.5	167.3	-14.6	27.8	0	0	0	107.8
525	S	29.8	Very low	35.1	Very low	104 Å²	104	120 Å²	120	73%	0.727	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-54.9	130.1	164.2	-174.2	0	0	0	0	107.7	S523 R527	S523-S525 PolarHBondContact O-N 3.23Å; S523-S525 VanDerWaalsContact O-N 3.16Å; S525-R527 PolarHBondContact O-N 2.91Å
526	P	30.4	Very low	34.5	Very low	110 Å²	110	126.3 Å²	126.3	71%	0.714	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-57.7	121.4	179	21.4	-30	0	0	0	108.4	K528	P526-K528 PolarHBondContact O-N 3.23Å
527	R	31.2	Very low	34.3	Very low	234 Å²	234	130.4 Å²	130.4	88%	0.883	70%	0.703	S	S	*	*			trans	-52.5	106.9	172	-73.8	-179.6	178.9	178	0.2	107.8	S525 N529	S525-R527 PolarHBondContact O-N 2.91Å; R527-N529 VanDerWaalsContact C-N 3.31Å; R527-N529 PolarHBondContact O-N 2.91Å
528	K	34	Very low	34	Very low	208 Å²	208	138.1 Å²	138.1	90%	0.904	72%	0.722	S	S	*	*			trans	-66.7	94.4	167.4	-78	-175.3	176.8	178.7	0	107.8	P526 K530	P526-K528 PolarHBondContact O-N 3.23Å; K528-K530 PolarHBondContact O-N 3.47Å
529	N	33.7	Very low	33.8	Very low	144 Å²	144	140 Å²	140	77%	0.77	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-58.5	117.4	160.9	-78.7	-21.9	0	0	0	107.9	R527 P531	R527-N529 VanDerWaalsContact C-N 3.31Å; R527-N529 PolarHBondContact O-N 2.91Å; N529-P531 WeakPolarHBondContact O-CD 3.41Å
530	K	33.3	Very low	33.5	Very low	202 Å²	202	145.9 Å²	145.9	88%	0.878	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-62	123.2	166	-92.2	179.1	172.3	177	0	108.3	K528	K528-K530 PolarHBondContact O-N 3.47Å
531	P	34.5	Very low	33.6	Very low	123 Å²	123	152.1 Å²	152.1	80%	0.799	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-76.9	133.1	170.9	30.4	-29	0	0	0	109.4	N529	N529-P531 WeakPolarHBondContact O-CD 3.41Å
532	K	36.7	Very low	33.5	Very low	211 Å²	211	151.4 Å²	151.4	92%	0.917	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-76.9	142.2	161.7	-78	-177	175.4	-179.3	0	108.6
533	S	33.3	Very low	33.7	Very low	110 Å²	110	157.1 Å²	157.1	77%	0.769	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-58.6	164	-172.5	48.3	0	0	0	0	117.1
534	S	35.6	Very low	33.9	Very low	110 Å²	110	156.4 Å²	156.4	77%	0.769	82%	0.819	S	S	*	*			trans	84.4	129	169.7	78.9	0	0	0	0	115.6
535	E	34.6	Very low	33.9	Very low	167 Å²	167	160.1 Å²	160.1	78%	0.78	84%	0.835	S	S	*	*			cis	-159.6	141.1	8.1	-111.5	169.9	158	0	0	109.6
536	I	35.2	Very low	34.2	Very low	154 Å²	154	164.9 Å²	164.9	79%	0.79	84%	0.842	S	S	*	*			trans	35.6	111.1	139.5	-52.5	164.3	0	0	0	119.1
537	S	35.3	Very low	34.4	Very low	118 Å²	118	168 Å²	168	83%	0.825	85%	0.847	S	S	*	*				-173.5	147.6	108.1	90.4	0	0	0	0	112.4
538	R	32.8	Very low	34.6	Very low	231 Å²	231	162.4 Å²	162.4	87%	0.872	84%	0.838	S	S	*	*			trans	-83	147.3	-164.4	-64.9	158.5	171.8	160.7	-2.7	112.9
539	H	39.9	Very low	34.7	Very low	193 Å²	193	155.6 Å²	155.6	89%	0.894	82%	0.815	S	S	*	*				-173.7	130.7	119	-100	57.9	0	0	0	112.2
540	N	32	Very low	34.8	Very low	163 Å²	163	153.8 Å²	153.8	87%	0.872	81%	0.81	S	S	*	*			trans	-77.5	148.6	-172.6	-75.2	-30.5	0	0	0	114.1
541	R	33.6	Very low	35.6	Very low	254 Å²	254	148.6 Å²	148.6	96%	0.958	80%	0.799	S	S	*	*			trans	-162.6	130	132.1	-106.4	170.9	-172.1	-172.8	2.5	111.6
542	T	31.9	Very low	36.6	Very low	141 Å²	141	147.7 Å²	147.7	87%	0.865	79%	0.788	S	S	*	*			trans	-84.2	136.7	-169	23.1	0	0	0	0	114.3
543	V	37	Very low	37	Very low	149 Å²	149	141 Å²	141	90%	0.903	76%	0.762	S	S	*	*			trans	-135.2	123.5	155.4	178.6	0	0	0	0	107.4
544	G	32.9	Very low	38.1	Very low	75 Å²	75	139.8 Å²	139.8	77%	0.773	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-82.6	124.4	-170	0	0	0	0	0	113.8
545	N	33.5	Very low	39	Very low	162 Å²	162	140.7 Å²	140.7	87%	0.866	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-95.5	117.2	162.8	-103.7	-9.5	0	0	0	108.5	H547	N545-H547 PolarHBondContact O-N 2.74Å
546	K	36.9	Very low	39.4	Very low	203 Å²	203	136.1 Å²	136.1	88%	0.883	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-66.4	123.2	169.6	-80.5	-179.7	174.1	179.4	0	108.9	V548	K546-V548 PolarHBondContact O-N 2.95Å
547	H	35.3	Very low	40	Very low	177 Å²	177	132.6 Å²	132.6	82%	0.819	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-65.7	121.1	171.1	-106.7	-93.4	0	0	0	109.5	N545 T549	N545-H547 PolarHBondContact O-N 2.74Å; H547-T549 PolarHBondContact O-N 3.41Å
548	V	35.7	Very low	40.5	Very low	115 Å²	115	133.7 Å²	133.7	70%	0.697	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-72.3	122	164.2	-179.8	0	0	0	0	107	K546 D552	K546-V548 PolarHBondContact O-N 2.95Å; V548-D552 HydrophobicContact CG1-CB 3.88Å
549	T	35.4	Very low	41.5	Very low	66 Å²	66	129.5 Å²	129.5	41%	0.405	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-93.6	154.4	178.1	45.1	0	0	0	0	110.1	H547 S551 D552	H547-T549 PolarHBondContact O-N 3.41Å; T549-S551 PolarHBondContact O-N 3.49Å; T549-S551 PolarHBondContact OG1-OG 2.82Å; T549-D552 PolarHBondContact N-OD2 3.31Å; T549-D552 WeakPolarHBondContact O-CB 3.47Å; T549-D552 PolarHBondContact O-N 3.46Å; T549-D552 PolarHBondContact OG1-OD2 3.38Å
550	P	35.6	Very low	41.6	Very low	105 Å²	105	123.3 Å²	123.3	68%	0.682	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-56.2	-12.6	178	-25.7	34.4	0	0	0	115.3	D552	P550-D552 VanDerWaalsContact C-N 3.32Å
551	S	51	Low	42.1	Very low	93 Å²	93	120 Å²	120	65%	0.65	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-77.2	-10.8	173	42.2	0	0	0	0	114.6	T549	T549-S551 PolarHBondContact O-N 3.49Å; T549-S551 PolarHBondContact OG1-OG 2.82Å
552	D	55.1	Low	42.9	Very low	105 Å²	105	112.4 Å²	112.4	56%	0.561	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-95.3	5.9	-177.2	-55.4	-47.4	0	0	0	113.2	V548 T549 P550	V548-D552 HydrophobicContact CG1-CB 3.88Å; T549-D552 PolarHBondContact N-OD2 3.31Å; T549-D552 WeakPolarHBondContact O-CB 3.47Å; T549-D552 PolarHBondContact O-N 3.46Å; T549-D552 PolarHBondContact OG1-OD2 3.38Å; P550-D552 VanDerWaalsContact C-N 3.32Å
553	L	44.1	Very low	43.7	Very low	71 Å²	71	114 Å²	114	37%	0.372	62%	0.617	S	S	.	*	S	Bend	trans	-91.3	131.4	178.6	-78.5	154.9	0	0	0	110.4	N557 L561	L553-N557 HydrophobicContact CD2-CB 4.19Å; L553-L561 HydrophobicContact CD1-CD1 3.9Å; L553-L561 HydrophobicContact CD2-CD1 4.22Å
554	D	57.7	Low	43.9	Very low	83 Å²	83	110.7 Å²	110.7	44%	0.444	59%	0.594	S	S	.	*			trans	-56.7	145.3	171.6	116.7	63.4	0	0	0	111.1	S556 N557 R558	D554-S556 PolarHBondContact O-N 3.31Å; D554-S556 VanDerWaalsContact O-N 3.17Å; D554-S556 WeakPolarHBondContact OD1-CA 3.37Å; D554-S556 VanDerWaalsContact OD1-CB 3.27Å; D554-S556 WeakPolarHBondContact OD1-CB 3.39Å; D554-S556 PolarHBondContact OD1-N 2.74Å; D554-S556 PolarHBondContact OD1-OG 3.33Å; D554-S556 PolarHBondContact OD2-OG 2.77Å; D554-S556 VanDerWaalsContact OD2-OG 3.09Å; D554-N557 WeakPolarHBondContact O-CA 3.43Å; D554-N557 WeakPolarHBondContact O-CB 3.4Å; D554-N557 PolarHBondContact O-N 3.49Å; D554-N557 PolarHBondContact OD2-ND2 3.38Å; D554-R558 PolarHBondContact O-N 3.48Å
555	D	52.7	Low	44.2	Very low	130 Å²	130	109 Å²	109	70%	0.695	57%	0.573	S	S	*	*	H	α-helix	trans	-56.4	-32.3	-174.6	-72.3	-36.5	0	0	0	113.6	R558 E559	D555-R558 PolarHBondContact O-N 3.17Å; D555-E559 PolarHBondContact O-N 3.42Å; D555-E559 VanDerWaalsContact O-N 3.07Å
556	S	44.5	Very low	44.8	Very low	70 Å²	70	106.5 Å²	106.5	49%	0.49	56%	0.559	S	S	.	*	H	α-helix	trans	-70.1	-34.3	175.4	90.1	0	0	0	0	112.9	D554 S560	D554-S556 PolarHBondContact O-N 3.31Å; D554-S556 VanDerWaalsContact O-N 3.17Å; D554-S556 WeakPolarHBondContact OD1-CA 3.37Å; D554-S556 VanDerWaalsContact OD1-CB 3.27Å; D554-S556 WeakPolarHBondContact OD1-CB 3.39Å; D554-S556 PolarHBondContact OD1-N 2.74Å; D554-S556 PolarHBondContact OD1-OG 3.33Å; D554-S556 PolarHBondContact OD2-OG 2.77Å; D554-S556 VanDerWaalsContact OD2-OG 3.09Å; S556-S560 WeakPolarHBondContact O-CB 3.16Å; S556-S560 PolarHBondContact O-N 3.41Å; S556-S560 PolarHBondContact O-OG 2.8Å
557	N	46.3	Very low	45.1	Very low	80 Å²	80	99 Å²	99	43%	0.428	53%	0.53	S	S	.	.	H	α-helix	trans	-73.1	-34.6	174.3	-80.1	-47.8	0	0	0	111.2	L553 D554 S560 L561	L553-N557 HydrophobicContact CD2-CB 4.19Å; D554-N557 WeakPolarHBondContact O-CA 3.43Å; D554-N557 WeakPolarHBondContact O-CB 3.4Å; D554-N557 PolarHBondContact O-N 3.49Å; D554-N557 PolarHBondContact OD2-ND2 3.38Å; N557-S560 PolarHBondContact O-N 2.98Å; N557-L561 WeakPolarHBondContact O-CB 3.45Å; N557-L561 VanDerWaalsContact O-CG 3.29Å; N557-L561 WeakPolarHBondContact O-CG 3.14Å; N557-L561 PolarHBondContact O-N 2.9Å
558	R	47.4	Very low	45.2	Very low	142 Å²	142	96.2 Å²	96.2	54%	0.536	52%	0.518	S	S	.	.	H	α-helix	trans	-66.2	-45.9	176.1	-174.1	176.4	163.5	150.8	-4.3	112.2	D554 D555 L561 L562	D554-R558 PolarHBondContact O-N 3.48Å; D555-R558 PolarHBondContact O-N 3.17Å; R558-L561 PolarHBondContact O-N 2.96Å; R558-L562 HydrophobicContact CG-CD1 4.04Å; R558-L562 WeakPolarHBondContact O-CB 2.61Å; R558-L562 VanDerWaalsContact O-CG 3.31Å; R558-L562 WeakPolarHBondContact O-CG 3.4Å; R558-L562 PolarHBondContact O-N 3.24Å
559	E	52.5	Low	45.7	Very low	142 Å²	142	98.6 Å²	98.6	66%	0.664	52%	0.519	S	S	*	.	H	α-helix	trans	-59.1	-45.3	173	-83	-82.6	136.6	0	0	111.7	D555 L561 L562 W563	D555-E559 PolarHBondContact O-N 3.42Å; D555-E559 VanDerWaalsContact O-N 3.07Å; E559-L561 PolarHBondContact O-N 3.37Å; E559-L562 PolarHBondContact O-N 3.09Å; E559-W563 WeakPolarHBondContact O-CB 3.38Å; E559-W563 PolarHBondContact O-N 3.32Å
560	S	42.6	Very low	46	Very low	64 Å²	64	101 Å²	101	45%	0.448	53%	0.533	S	S	.	.	H	α-helix	trans	-63.5	-38.5	178.3	-62.1	0	0	0	0	112.8	S556 N557 L564	S556-S560 WeakPolarHBondContact O-CB 3.16Å; S556-S560 PolarHBondContact O-N 3.41Å; S556-S560 PolarHBondContact O-OG 2.8Å; N557-S560 PolarHBondContact O-N 2.98Å; S560-L564 WeakPolarHBondContact O-CB 3.45Å; S560-L564 PolarHBondContact O-N 3.22Å
561	L	42.4	Very low	46.2	Very low	93 Å²	93	106 Å²	106	49%	0.487	54%	0.539	S	S	.	.	H	α-helix	trans	-72.7	-37	176.1	-76.2	169.9	0	0	0	112.5	L553 N557 R558 E559 A565	L553-L561 HydrophobicContact CD1-CD1 3.9Å; L553-L561 HydrophobicContact CD2-CD1 4.22Å; N557-L561 WeakPolarHBondContact O-CB 3.45Å; N557-L561 VanDerWaalsContact O-CG 3.29Å; N557-L561 WeakPolarHBondContact O-CG 3.14Å; N557-L561 PolarHBondContact O-N 2.9Å; R558-L561 PolarHBondContact O-N 2.96Å; E559-L561 PolarHBondContact O-N 3.37Å; L561-A565 WeakPolarHBondContact O-CB 3.25Å; L561-A565 PolarHBondContact O-N 2.91Å
562	L	49.8	Very low	45.7	Very low	95 Å²	95	107.7 Å²	107.7	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-67.6	-39.4	173.5	-75.2	166.6	0	0	0	111.5	R558 E559 A565 N566	R558-L562 HydrophobicContact CG-CD1 4.04Å; R558-L562 WeakPolarHBondContact O-CB 2.61Å; R558-L562 VanDerWaalsContact O-CG 3.31Å; R558-L562 WeakPolarHBondContact O-CG 3.4Å; R558-L562 PolarHBondContact O-N 3.24Å; E559-L562 PolarHBondContact O-N 3.09Å; L562-A565 PolarHBondContact O-N 3.39Å; L562-N566 PolarHBondContact O-N 2.95Å
563	W	49.9	Very low	44.7	Very low	174 Å²	174	110.6 Å²	110.6	66%	0.659	55%	0.554	S	S	*	*	H	α-helix	trans	-63	-47.3	173	-177	84	0	0	0	111.5	E559 A565 N566 V567	E559-W563 WeakPolarHBondContact O-CB 3.38Å; E559-W563 PolarHBondContact O-N 3.32Å; W563-A565 VanDerWaalsContact C-N 3.33Å; W563-A565 PolarHBondContact O-N 2.77Å; W563-N566 PolarHBondContact O-N 3.09Å; W563-V567 HydrophobicContact CD2-CG2 4Å; W563-V567 HydrophobicContact CE3-CG2 4.32Å; W563-V567 HydrophobicContact CH2-CG2 4.22Å; W563-V567 HydrophobicContact CZ2-CG2 3.89Å; W563-V567 HydrophobicContact CZ3-CG2 4.42Å; W563-V567 VanDerWaalsContact O-CG2 3.31Å; W563-V567 WeakPolarHBondContact O-CG2 3.39Å; W563-V567 PolarHBondContact O-N 2.92Å
564	L	40.2	Very low	44.1	Very low	80 Å²	80	117.3 Å²	117.3	42%	0.419	58%	0.575	S	S	.	*	H	α-helix	trans	-60.1	-40.6	174.3	-94.4	161.2	0	0	0	112.5	S560 V567 Q568	S560-L564 WeakPolarHBondContact O-CB 3.45Å; S560-L564 PolarHBondContact O-N 3.22Å; L564-V567 PolarHBondContact O-N 3.41Å; L564-Q568 WeakPolarHBondContact O-CB 3.38Å; L564-Q568 VanDerWaalsContact O-CG 3.3Å; L564-Q568 WeakPolarHBondContact O-CG 3.46Å; L564-Q568 PolarHBondContact O-N 3.11Å
565	A	39.2	Very low	43.1	Very low	40 Å²	40	121 Å²	121	33%	0.331	59%	0.594	S	S	.	*	H	α-helix	trans	-65	-38.3	175.9	0	0	0	0	0	112.2	L561 L562 W563 K569	L561-A565 WeakPolarHBondContact O-CB 3.25Å; L561-A565 PolarHBondContact O-N 2.91Å; L562-A565 PolarHBondContact O-N 3.39Å; W563-A565 VanDerWaalsContact C-N 3.33Å; W563-A565 PolarHBondContact O-N 2.77Å; A565-K569 WeakPolarHBondContact O-CB 3.17Å; A565-K569 VanDerWaalsContact O-CG 3.32Å; A565-K569 WeakPolarHBondContact O-CG 3.37Å; A565-K569 PolarHBondContact O-N 3.31Å
566	N	47.3	Very low	42	Very low	109 Å²	109	125.5 Å²	125.5	58%	0.583	62%	0.619	S	S	*	*	H	α-helix	trans	-69.5	-40.1	174.6	-95.5	-8.9	0	0	0	112.6	L562 W563 Q568 K569 T570	L562-N566 PolarHBondContact O-N 2.95Å; W563-N566 PolarHBondContact O-N 3.09Å; N566-Q568 VanDerWaalsContact C-N 3.32Å; N566-Q568 PolarHBondContact O-N 2.8Å; N566-K569 PolarHBondContact O-N 2.91Å; N566-T570 WeakPolarHBondContact O-CG2 3.36Å; N566-T570 PolarHBondContact O-N 3.14Å; N566-T570 VanDerWaalsContact O-N 3.11Å; N566-T570 PolarHBondContact O-OG1 3.43Å
567	V	41.9	Very low	41.9	Very low	44 Å²	44	128.3 Å²	128.3	27%	0.267	63%	0.625	S	S	.	*	H	α-helix	trans	-67.1	-32.5	175.5	174.2	0	0	0	0	111.8	W563 L564 T570	W563-V567 HydrophobicContact CD2-CG2 4Å; W563-V567 HydrophobicContact CE3-CG2 4.32Å; W563-V567 HydrophobicContact CH2-CG2 4.22Å; W563-V567 HydrophobicContact CZ2-CG2 3.89Å; W563-V567 HydrophobicContact CZ3-CG2 4.42Å; W563-V567 VanDerWaalsContact O-CG2 3.31Å; W563-V567 WeakPolarHBondContact O-CG2 3.39Å; W563-V567 PolarHBondContact O-N 2.92Å; L564-V567 PolarHBondContact O-N 3.41Å; V567-T570 WeakPolarHBondContact CA-OG1 3.29Å; V567-T570 PolarHBondContact O-OG1 2.99Å; V567-T570 VanDerWaalsContact O-OG1 3.06Å
568	Q	38.8	Very low	41.6	Very low	119 Å²	119	130.8 Å²	130.8	56%	0.556	64%	0.635	S	S	*	*	H	α-helix	trans	-78	-38.8	175.4	-73.8	-178.5	-5.2	0	0	112.7	L564 N566 T570 R571 I572	L564-Q568 WeakPolarHBondContact O-CB 3.38Å; L564-Q568 VanDerWaalsContact O-CG 3.3Å; L564-Q568 WeakPolarHBondContact O-CG 3.46Å; L564-Q568 PolarHBondContact O-N 3.11Å; N566-Q568 VanDerWaalsContact C-N 3.32Å; N566-Q568 PolarHBondContact O-N 2.8Å; Q568-T570 VanDerWaalsContact C-N 3.26Å; Q568-T570 PolarHBondContact O-N 2.87Å; Q568-R571 PolarHBondContact O-N 3.28Å; Q568-R571 VanDerWaalsContact O-N 3.14Å; Q568-I572 WeakPolarHBondContact O-CG1 3.45Å; Q568-I572 PolarHBondContact O-N 3.01Å
569	K	45.6	Very low	41.3	Very low	166 Å²	166	130.2 Å²	130.2	72%	0.722	64%	0.641	S	S	*	*	H	α-helix	trans	-64.3	-29.7	175	-80.3	179.9	177.7	-179	0	113	A565 N566 R571	A565-K569 WeakPolarHBondContact O-CB 3.17Å; A565-K569 VanDerWaalsContact O-CG 3.32Å; A565-K569 WeakPolarHBondContact O-CG 3.37Å; A565-K569 PolarHBondContact O-N 3.31Å; N566-K569 PolarHBondContact O-N 2.91Å; K569-R571 VanDerWaalsContact C-N 3.32Å
570	T	41.4	Very low	40.7	Very low	115 Å²	115	129.5 Å²	129.5	71%	0.706	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-9.6	175.6	46.8	0	0	0	0	113.9	N566 V567 Q568	N566-T570 WeakPolarHBondContact O-CG2 3.36Å; N566-T570 PolarHBondContact O-N 3.14Å; N566-T570 VanDerWaalsContact O-N 3.11Å; N566-T570 PolarHBondContact O-OG1 3.43Å; V567-T570 WeakPolarHBondContact CA-OG1 3.29Å; V567-T570 PolarHBondContact O-OG1 2.99Å; V567-T570 VanDerWaalsContact O-OG1 3.06Å; Q568-T570 VanDerWaalsContact C-N 3.26Å; Q568-T570 PolarHBondContact O-N 2.87Å
571	R	40	Very low	40.5	Very low	211 Å²	211	133.6 Å²	133.6	80%	0.796	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	-0.9	179.8	-74.4	-175	175.3	-173	0.2	114.7	Q568 K569	Q568-R571 PolarHBondContact O-N 3.28Å; Q568-R571 VanDerWaalsContact O-N 3.14Å; K569-R571 VanDerWaalsContact C-N 3.32Å
572	I	40.1	Very low	40.4	Very low	129 Å²	129	136.3 Å²	136.3	66%	0.662	66%	0.663	S	S	*	*			trans	-120.6	71.9	179.1	-54.1	172.2	0	0	0	108.3	Q568	Q568-I572 WeakPolarHBondContact O-CG1 3.45Å; Q568-I572 PolarHBondContact O-N 3.01Å
573	N	35.3	Very low	39.7	Very low	165 Å²	165	139.2 Å²	139.2	88%	0.882	67%	0.674	S	S	*	*			trans	-148.4	91.5	144.9	-105.9	-9.1	0	0	0	106.8
574	R	31.4	Very low	39	Very low	212 Å²	212	136.5 Å²	136.5	80%	0.8	68%	0.675	S	S	*	*			trans	-70.4	147.4	157.6	-95.6	174.8	134.7	169.1	-5.9	107.7
575	D	36.5	Very low	38.9	Very low	160 Å²	160	141.3 Å²	141.3	86%	0.856	70%	0.697	S	S	*	*				-163.6	83.5	123.3	-87.5	-20.2	0	0	0	109.1
576	N	29	Very low	38.8	Very low	225 Å²	225	150.5 Å²	150.5	100%	1.203	73%	0.73	S	S	*	*			trans	-178.4	0	140.3	-90.2	-22.4	0	0	0	109.5

Retrieved 576 of 576 residues in 592.5 ms (Link to these results)

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