A0A096MRK6_PAPAN Loading...

Angel homolog 2

AlphaFold DB (A0A2K5LR51), UniProt , Accession A0A096MRK6, Species PAPAN (Papio anubis, Olive baboon), Gene ANGEL2, Length 544 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	36.8	Very low	29.7	Very low	244 Å²	244	176.2 Å²	176.2	100%	1.202	85%	0.854	S	S	*	*				0	152.1	0	-82.8	178.1	-163.7	0	0	107.6
2	E	32.2	Very low	29.7	Very low	200 Å²	200	167.8 Å²	167.8	94%	0.935	85%	0.848	S	S	*	*			trans	91.5	101.1	-169.5	-58.7	-166.6	153.7	0	0	115
3	A	31.2	Very low	29.6	Very low	80 Å²	80	170.2 Å²	170.2	66%	0.661	85%	0.854	S	S	*	*			trans	-76.3	172.6	174	0	0	0	0	0	110.7
4	W	26.6	Very low	29.4	Very low	202 Å²	202	166.2 Å²	166.2	77%	0.765	85%	0.848	S	S	*	*				157.6	151.5	100.1	-82.6	85.9	0	0	0	104.2
5	R	27.7	Very low	29.5	Very low	196 Å²	196	165 Å²	165	74%	0.74	85%	0.851	S	S	*	*			cis	-163.5	147.6	-14.4	-119.7	-164	-169	176.5	4.5	105.6
6	C	25.9	Very low	29.5	Very low	121 Å²	121	163 Å²	163	82%	0.818	85%	0.848	S	S	*	*			trans	-85	140.1	169.1	-162.5	0	0	0	0	110.2
7	V	28.6	Very low	29.4	Very low	130 Å²	130	158 Å²	158	79%	0.788	85%	0.846	S	S	*	*			trans	-139.1	119.9	163.4	-176.9	0	0	0	0	110.3
8	R	29.7	Very low	29.4	Very low	232 Å²	232	163.3 Å²	163.3	88%	0.875	85%	0.852	S	S	*	*			trans	-100.2	144.4	162.5	-92.5	-176.7	173.7	-176.2	-1.1	109.6
9	K	29	Very low	29.3	Very low	215 Å²	215	158.7 Å²	158.7	94%	0.935	85%	0.848	S	S	*	*			trans	-179.6	139.4	151.2	-100.5	176.8	-178.8	-175.9	0	105.3
10	G	28.7	Very low	29.3	Very low	67 Å²	67	163.5 Å²	163.5	69%	0.691	85%	0.853	S	S	*	*			cis	160.9	134.2	5	0	0	0	0	0	107.7
11	Y	30.8	Very low	29.4	Very low	251 Å²	251	166.4 Å²	166.4	98%	0.984	86%	0.855	S	S	*	*			trans	24.4	135.7	156.1	-68.2	-90.8	0	0	0	123.9
12	G	28.7	Very low	29.4	Very low	76 Å²	76	160.4 Å²	160.4	78%	0.784	83%	0.834	S	S	*	*			trans	-173.8	135.7	158.5	0	0	0	0	0	113.7
13	H	28.8	Very low	29.3	Very low	199 Å²	199	159 Å²	159	92%	0.921	83%	0.829	S	S	*	*			trans	-74.9	164.3	-158.6	-92.1	-90.1	0	0	0	120
14	C	26.3	Very low	29.4	Very low	114 Å²	114	165.2 Å²	165.2	77%	0.77	84%	0.842	S	S	*	*			trans	-63.3	151.5	172.4	-58.6	0	0	0	0	116.4
15	V	30.9	Very low	30.1	Very low	148 Å²	148	161.4 Å²	161.4	90%	0.897	84%	0.843	S	S	*	*			trans	-138.4	134.9	148.6	-177.7	0	0	0	0	109.8
16	V	30.3	Very low	30.2	Very low	133 Å²	133	160.6 Å²	160.6	81%	0.806	85%	0.847	S	S	*	*			trans	-88.4	137.7	-177.7	172.7	0	0	0	0	110.8
17	G	28.2	Very low	30.3	Very low	78 Å²	78	162.7 Å²	162.7	80%	0.804	85%	0.845	S	S	*	*			trans	-145.1	119.8	167.6	0	0	0	0	0	111.4
18	R	29	Very low	30.2	Very low	254 Å²	254	162.3 Å²	162.3	96%	0.958	85%	0.848	S	S	*	*			trans	-73.2	148.3	-175.1	-67.9	177.9	175.2	-155.1	-1.6	113
19	G	27.2	Very low	30.3	Very low	75 Å²	75	162.4 Å²	162.4	77%	0.773	85%	0.849	S	S	*	*			trans	174.8	79.8	161.4	0	0	0	0	0	118
20	R	29.7	Very low	30.2	Very low	254 Å²	254	157.2 Å²	157.2	96%	0.958	84%	0.839	S	S	*	*			trans	45.2	118.4	146.7	-59.6	-174.8	-173	-160.4	1.7	121.6
21	Y	31.1	Very low	30.3	Very low	225 Å²	225	162.5 Å²	162.5	88%	0.882	85%	0.851	S	S	*	*			trans	-74.2	167.3	156.8	-72	-88.7	0	0	0	112.4
22	P	36.8	Very low	30.1	Very low	118 Å²	118	153.9 Å²	153.9	77%	0.766	84%	0.838	S	S	*	*				-143.1	136.2	89.1	31.5	-12.1	0	0	0	117.2
23	M	29	Very low	30.1	Very low	170 Å²	170	161 Å²	161	84%	0.837	84%	0.842	S	S	*	*			trans	40.7	118.9	138	-61.8	-158	-75.4	0	0	123.1
24	F	33.3	Very low	30.1	Very low	211 Å²	211	159 Å²	159	93%	0.925	84%	0.838	S	S	*	*			trans	-118.5	138.9	139.2	-85.2	-81.1	0	0	0	108.7
25	P	41.4	Very low	30.1	Very low	123 Å²	123	163.7 Å²	163.7	80%	0.799	84%	0.839	S	S	*	*			trans	-97.1	150.4	172.3	33.6	-26.7	0	0	0	114.1
26	H	29.7	Very low	30.1	Very low	178 Å²	178	162.8 Å²	162.8	82%	0.824	83%	0.834	S	S	*	*			trans	-36.2	141.8	-177.2	-76.3	-63.6	0	0	0	123.4
27	H	28.8	Very low	30	Very low	165 Å²	165	162.3 Å²	162.3	76%	0.764	83%	0.832	S	S	*	*				26.7	130.1	126.4	-79.7	-53	0	0	0	122.1
28	S	27.6	Very low	30.6	Very low	123 Å²	123	163.8 Å²	163.8	86%	0.86	83%	0.828	S	S	*	*			trans	-133.9	133.7	130.8	54.7	0	0	0	0	110.3
29	R	29.9	Very low	30.5	Very low	233 Å²	233	162.1 Å²	162.1	88%	0.879	82%	0.821	S	S	*	*			trans	-96	140.7	173.9	-82.7	177.8	168.8	-175.3	-3.3	109.1
30	S	28.1	Very low	30.5	Very low	106 Å²	106	165.6 Å²	165.6	74%	0.741	82%	0.818	S	S	*	*			trans	-160.5	113.2	135.3	58.8	0	0	0	0	108.8
31	L	31.1	Very low	30.4	Very low	178 Å²	178	161 Å²	161	93%	0.932	81%	0.812	S	S	*	*				60.2	103.4	111.8	-62.7	165.7	0	0	0	112.1
32	G	25.9	Very low	30.2	Very low	70 Å²	70	158.1 Å²	158.1	72%	0.722	81%	0.811	S	S	*	*			cis	109.4	106.4	32.6	0	0	0	0	0	109.1
33	R	27.9	Very low	29.8	Very low	226 Å²	226	161.7 Å²	161.7	85%	0.853	82%	0.817	S	S	*	*			trans	-172.9	77.3	149.3	-110.5	-176.2	-99.4	-133.7	1.9	110.6
34	D	28.6	Very low	29.6	Very low	157 Å²	157	164.8 Å²	164.8	84%	0.84	82%	0.82	S	S	*	*			trans	-83.9	130.9	150.4	-77.8	-41.1	0	0	0	107.6
35	W	27.4	Very low	29.2	Very low	212 Å²	212	160 Å²	160	80%	0.803	81%	0.811	S	S	*	*			trans	-116.2	96	157.1	-79.2	91.5	0	0	0	107.4
36	T	30	Very low	28.4	Very low	129 Å²	129	159.4 Å²	159.4	79%	0.791	81%	0.809	S	S	*	*			trans	-110.4	128.7	148	39.1	0	0	0	0	106.6
37	T	28.3	Very low	28.3	Very low	123 Å²	123	163 Å²	163	76%	0.755	82%	0.815	S	S	*	*			trans	-142.2	138.7	148.6	16.8	0	0	0	0	109.3
38	P	41.2	Very low	28.1	Very low	110 Å²	110	162.3 Å²	162.3	71%	0.714	82%	0.817	S	S	*	*			trans	-93	153.8	-178	37.2	-31.7	0	0	0	110.8
39	W	26.6	Very low	28	Very low	218 Å²	218	167.3 Å²	167.3	83%	0.826	82%	0.817	S	S	*	*			trans	-148.2	110.9	158.6	-149	-92.6	0	0	0	112.8
40	E	27.9	Very low	28	Very low	149 Å²	149	164.4 Å²	164.4	70%	0.696	81%	0.813	S	S	*	*			trans	40	128.1	142.2	-55.8	-173.1	152.8	0	0	123.4
41	N	28.4	Very low	27.9	Very low	157 Å²	157	166.3 Å²	166.3	84%	0.84	81%	0.814	S	S	*	*			trans	-67.8	140	155.1	-79.3	-59	0	0	0	111.9
42	L	26.8	Very low	27.7	Very low	164 Å²	164	162.8 Å²	162.8	86%	0.859	80%	0.804	S	S	*	*				173.2	111.8	123.5	-96.2	158.4	0	0	0	110.9
43	Q	27.7	Very low	27.7	Very low	193 Å²	193	164.3 Å²	164.3	90%	0.902	80%	0.803	S	S	*	*				-176	119.7	113.6	-98.8	177.5	-10.2	0	0	111.2
44	R	24.6	Very low	27.5	Very low	235 Å²	235	159.2 Å²	159.2	89%	0.887	80%	0.801	S	S	*	*			trans	-79.2	147.5	167.8	-81.2	173.2	162.5	171.4	-5.8	110
45	C	25.9	Very low	27.4	Very low	111 Å²	111	160.8 Å²	160.8	75%	0.75	81%	0.805	S	S	*	*				160.8	105.1	118.5	-85.8	0	0	0	0	109.4
46	C	24.9	Very low	27.4	Very low	110 Å²	110	161.4 Å²	161.4	74%	0.743	81%	0.808	S	S	*	*				90.8	115.3	102.9	-67.8	0	0	0	0	113.3
47	W	26.2	Very low	27.3	Very low	255 Å²	255	166.8 Å²	166.8	97%	0.966	81%	0.814	S	S	*	*				-170.9	142	109.7	-104.7	48.3	0	0	0	111.1
48	N	24.7	Very low	27.6	Very low	150 Å²	150	166 Å²	166	80%	0.802	81%	0.811	S	S	*	*			trans	-85	163.4	179.8	-83.4	-40.8	0	0	0	112.3
49	R	26	Very low	26.8	Very low	228 Å²	228	163.9 Å²	163.9	86%	0.86	81%	0.808	S	S	*	*			trans	110.1	105.4	145.7	-66.4	-165.4	174.1	-173.2	-1.9	118.7
50	H	29	Very low	26.7	Very low	171 Å²	171	162.7 Å²	162.7	79%	0.792	81%	0.812	S	S	*	*				64.2	134.6	113.6	-89.4	-70.1	0	0	0	123.5
51	I	27.6	Very low	26.7	Very low	147 Å²	147	165.6 Å²	165.6	75%	0.754	82%	0.818	S	S	*	*			trans	98.6	106	146	-62.8	154.6	0	0	0	118.6
52	S	25.8	Very low	26.5	Very low	104 Å²	104	167.7 Å²	167.7	73%	0.727	82%	0.815	S	S	*	*				50.8	142.7	119.2	-146.7	0	0	0	0	123.5
53	S	26	Very low	26.5	Very low	102 Å²	102	167.9 Å²	167.9	71%	0.713	81%	0.812	S	S	*	*			trans	93.2	112.2	145.1	75	0	0	0	0	120
54	C	24.9	Very low	26.6	Very low	118 Å²	118	162.7 Å²	162.7	80%	0.797	80%	0.802	S	S	*	*				25.5	137.9	127.1	-51	0	0	0	0	121.3
55	M	26.4	Very low	27.4	Very low	190 Å²	190	157.7 Å²	157.7	94%	0.936	80%	0.8	S	S	*	*			trans	111.1	131.3	147.2	-64	-152.8	-163.5	0	0	118.3
56	R	27.7	Very low	27.6	Very low	226 Å²	226	162.3 Å²	162.3	85%	0.853	80%	0.803	S	S	*	*			trans	-39	154.4	170.4	-64.4	171.5	179.7	-170.6	-1	114.5
57	W	26.2	Very low	28.4	Very low	242 Å²	242	162.6 Å²	162.6	92%	0.917	80%	0.804	S	S	*	*				177	163.4	104.3	-97.1	82.6	0	0	0	110.3
58	P	35.8	Very low	28.4	Very low	106 Å²	106	161.3 Å²	161.3	69%	0.688	80%	0.8	S	S	*	*			trans	-106	164.5	-160.9	38.1	-26.2	0	0	0	115.3
59	G	23.1	Very low	28.6	Very low	65 Å²	65	163.3 Å²	163.3	67%	0.67	80%	0.802	S	S	*	*			trans	84.2	121	148.8	0	0	0	0	0	118.4
60	H	25.8	Very low	28.5	Very low	193 Å²	193	158.4 Å²	158.4	89%	0.894	80%	0.803	S	S	*	*				170.3	145	114.4	-91.4	-74.3	0	0	0	112.2
61	Y	26.6	Very low	28.6	Very low	210 Å²	210	154.9 Å²	154.9	82%	0.824	80%	0.798	S	S	*	*			trans	-55.7	154.3	-178.9	-81.9	-105.2	0	0	0	115.5
62	Y	25.4	Very low	28.6	Very low	201 Å²	201	159 Å²	159	79%	0.788	80%	0.803	S	S	*	*				-179.5	140.2	105.5	-109.9	-86.9	0	0	0	114.3
63	Q	26.9	Very low	28.9	Very low	168 Å²	168	160.7 Å²	160.7	79%	0.785	80%	0.8	S	S	*	*			trans	69.5	110.3	147.3	-94.4	157.5	11.9	0	0	122.8
64	A	29.6	Very low	28.9	Very low	85 Å²	85	164.3 Å²	164.3	70%	0.702	80%	0.803	S	S	*	*			trans	-82.3	171.5	151.6	0	0	0	0	0	111.9
65	P	41.6	Very low	29.1	Very low	129 Å²	129	162.6 Å²	162.6	84%	0.838	79%	0.792	S	S	*	*			trans	-128.6	136.3	140.7	30.7	-15.1	0	0	0	113.5
66	Y	29.1	Very low	29.3	Very low	208 Å²	208	160.2 Å²	160.2	82%	0.816	78%	0.783	S	S	*	*			trans	-73.6	171.1	165.2	-94.2	-94.2	0	0	0	111.8
67	P	42.8	Very low	29.3	Very low	117 Å²	117	155.8 Å²	155.8	76%	0.76	78%	0.776	S	S	*	*				-137.6	131.4	115.1	32.5	-17.7	0	0	0	116
68	Y	25.9	Very low	29.3	Very low	228 Å²	228	156.5 Å²	156.5	89%	0.894	78%	0.779	S	S	*	*			trans	59.2	136.1	131.6	-90.5	-93	0	0	0	125.8
69	F	27.4	Very low	29.1	Very low	192 Å²	192	163 Å²	163	84%	0.842	79%	0.789	S	S	*	*			trans	-87.4	166.4	-175.5	-87.2	-97.7	0	0	0	115.6
70	S	24.8	Very low	30.2	Very low	124 Å²	124	165 Å²	165	87%	0.867	79%	0.79	S	S	*	*			trans	-146.5	141.9	139.6	179.4	0	0	0	0	111.4
71	S	31.8	Very low	30.8	Very low	98 Å²	98	161.8 Å²	161.8	69%	0.685	79%	0.787	S	S	*	*			trans	-130.7	152.8	-166.4	54.5	0	0	0	0	112.5
72	R	28	Very low	30.9	Very low	232 Å²	232	157.4 Å²	157.4	88%	0.875	79%	0.786	S	S	*	*			trans	-166.7	142.2	153.7	-70.1	-162.4	176.4	-172.5	-2.3	107.1
73	H	30.9	Very low	31.2	Very low	141 Å²	141	156.1 Å²	156.1	65%	0.653	79%	0.791	S	S	*	*			cis	-170.7	148.3	-5.5	-111.6	-59.6	0	0	0	108
74	F	27.3	Very low	31.3	Very low	177 Å²	177	156.3 Å²	156.3	78%	0.776	79%	0.79	S	S	*	*			trans	45.5	154	151.8	-70.7	-79.2	0	0	0	121.9
75	S	27.4	Very low	31.2	Very low	82 Å²	82	160.2 Å²	160.2	57%	0.573	79%	0.794	S	S	*	*			cis	176.6	152.6	-29.2	55.2	0	0	0	0	108.1
76	L	31.1	Very low	30.5	Very low	141 Å²	141	159.9 Å²	159.9	74%	0.738	80%	0.795	S	S	*	*			trans	91.1	116.3	151.6	-66.9	155.6	0	0	0	121.8
77	N	28.8	Very low	30.3	Very low	132 Å²	132	161.1 Å²	161.1	71%	0.706	80%	0.798	S	S	*	*				71	110.9	128	-70.7	-3.8	0	0	0	122
78	W	25.1	Very low	29.6	Very low	258 Å²	258	162.1 Å²	162.1	98%	0.977	80%	0.802	S	S	*	*				-172.1	146.1	104.7	-102.1	6.9	0	0	0	112.6
79	R	30.8	Very low	29.6	Very low	242 Å²	242	159 Å²	159	91%	0.913	80%	0.796	S	S	*	*			trans	-113.3	167.3	177.5	-102.5	-157.4	-173.1	-162.9	4.2	110
80	P	47.1	Very low	29.4	Very low	106 Å²	106	158 Å²	158	69%	0.688	79%	0.791	S	S	*	*			trans	-102.2	-171.5	-148.3	42	-36.5	0	0	0	113
81	P	37.7	Very low	29.4	Very low	127 Å²	127	159.5 Å²	159.5	83%	0.825	78%	0.784	S	S	*	*			trans	-123.4	136.7	153.1	33.1	-18.6	0	0	0	113.8
82	C	30.4	Very low	29.1	Very low	118 Å²	118	164.3 Å²	164.3	80%	0.797	79%	0.789	S	S	*	*			trans	-90	146.1	157.5	-59.6	0	0	0	0	109.2
83	L	30.1	Very low	28.9	Very low	173 Å²	173	158.8 Å²	158.8	91%	0.906	79%	0.785	S	S	*	*			trans	-144.6	158	154.6	-85.9	-179.6	0	0	0	111.1
84	F	30	Very low	28.5	Very low	173 Å²	173	158.4 Å²	158.4	76%	0.759	79%	0.788	S	S	*	*			trans	-85.2	160.8	-152.6	-99.7	-113.5	0	0	0	117
85	E	26.6	Very low	28.4	Very low	166 Å²	166	161.6 Å²	161.6	78%	0.776	80%	0.795	S	S	*	*			trans	46.6	128.4	142.5	-77.4	175.3	165.6	0	0	123.3
86	S	26.4	Very low	28.3	Very low	123 Å²	123	167.4 Å²	167.4	86%	0.86	80%	0.804	S	S	*	*				179.6	145.2	107.5	42.3	0	0	0	0	113.9
87	R	25.9	Very low	28.1	Very low	233 Å²	233	167 Å²	167	88%	0.879	81%	0.809	S	S	*	*			trans	-71.1	140.3	170.4	-105.4	173.5	167.1	-171.1	-2.3	111
88	T	27.2	Very low	27.9	Very low	139 Å²	139	166.1 Å²	166.1	85%	0.853	81%	0.805	S	S	*	*				170.2	150.4	114.3	35.2	0	0	0	0	114.1
89	Q	26.6	Very low	28	Very low	163 Å²	163	160.9 Å²	160.9	76%	0.762	80%	0.796	S	S	*	*			trans	-48.8	150.3	173.5	-71.9	157.9	-40.3	0	0	116.1
90	F	24.3	Very low	27.8	Very low	169 Å²	169	157.5 Å²	157.5	74%	0.741	80%	0.795	S	S	*	*				175.4	128.9	106	-106.6	-90.2	0	0	0	114
91	Q	24.9	Very low	26.8	Very low	156 Å²	156	157.2 Å²	157.2	73%	0.729	80%	0.796	S	S	*	*			trans	32	129.7	143.3	-70.1	177.5	-20.2	0	0	125.7
92	Y	23.6	Very low	26.4	Very low	199 Å²	199	160.2 Å²	160.2	78%	0.78	80%	0.799	S	S	*	*				45.4	128.7	128.5	-88.3	-93.2	0	0	0	123
93	C	24.3	Very low	26.2	Very low	116 Å²	116	161.4 Å²	161.4	78%	0.784	80%	0.803	S	S	*	*				-172.2	104.3	129.7	-99.7	0	0	0	0	109
94	N	23.1	Very low	26.1	Very low	134 Å²	134	158.8 Å²	158.8	72%	0.717	80%	0.799	S	S	*	*				48.4	105.7	93.3	-82.6	-10	0	0	0	115.5
95	W	24.5	Very low	26	Very low	244 Å²	244	158.7 Å²	158.7	92%	0.924	81%	0.805	S	S	*	*			trans	-129.7	111.5	152	-82.1	91.3	0	0	0	109.2
96	R	24.9	Very low	26.1	Very low	204 Å²	204	158 Å²	158	77%	0.77	81%	0.805	S	S	*	*			trans	-85	157.4	153	-74.3	-171.3	178.3	-172.7	1.9	108.5	D98	R96-D98 IonicContact NH1-OD1 3.57Å
97	P	27.3	Very low	26.1	Very low	131 Å²	131	159.8 Å²	159.8	85%	0.851	80%	0.8	S	S	*	*				-135	167.7	105.2	23.2	-3.2	0	0	0	113.6
98	D	25.3	Very low	26.3	Very low	114 Å²	114	156.8 Å²	156.8	61%	0.61	80%	0.8	S	S	*	*			trans	-88.8	155.5	-157.4	-58.4	-65.9	0	0	0	116.5	R96	R96-D98 IonicContact NH1-OD1 3.57Å
99	N	27.2	Very low	26.6	Very low	148 Å²	148	154.6 Å²	154.6	79%	0.791	79%	0.79	S	S	*	*			trans	57.8	141	134.7	-75.6	-15.6	0	0	0	125.1
100	L	26.8	Very low	26.8	Very low	172 Å²	172	151.7 Å²	151.7	90%	0.901	79%	0.788	S	S	*	*			trans	86.4	124.8	164.9	-64	150.5	0	0	0	114.7
101	S	26.5	Very low	27.4	Very low	99 Å²	99	153.2 Å²	153.2	69%	0.692	79%	0.79	S	S	*	*			cis	-162.6	136.2	14.2	49.8	0	0	0	0	111.3
102	Q	28.4	Very low	27.6	Very low	190 Å²	190	151.1 Å²	151.1	89%	0.888	79%	0.788	S	S	*	*			trans	21.8	111	145.9	-71.3	172.6	-24.7	0	0	119.4
103	T	26.9	Very low	28	Very low	144 Å²	144	150.1 Å²	150.1	88%	0.883	79%	0.793	S	S	*	*				-147.4	144	127.6	41.1	0	0	0	0	110
104	S	27.2	Very low	28.3	Very low	118 Å²	118	152.1 Å²	152.1	83%	0.825	80%	0.796	S	S	*	*			trans	-75.6	125.5	-154.7	-31.2	0	0	0	0	113.6
105	L	28.5	Very low	28.6	Very low	170 Å²	170	150.5 Å²	150.5	89%	0.89	80%	0.801	S	S	*	*			trans	-83	116.1	164.1	-78.5	161.1	0	0	0	108.9	H107	L105-H107 PolarHBondContact O-N 3.49Å
106	I	28.2	Very low	29.3	Very low	152 Å²	152	148.5 Å²	148.5	78%	0.779	80%	0.802	S	S	*	*			trans	-87.1	104.2	167.4	-62.3	176.5	0	0	0	107.3	L108	I106-L108 HydrophobicContact CG2-CG 4.47Å
107	H	26.4	Very low	29.6	Very low	160 Å²	160	142.5 Å²	142.5	74%	0.741	80%	0.803	S	S	*	*			trans	-85.2	110.3	174.7	-151.2	-91.3	0	0	0	108.1	L105	L105-H107 PolarHBondContact O-N 3.49Å
108	L	30.3	Very low	30.1	Very low	171 Å²	171	144.3 Å²	144.3	90%	0.895	81%	0.806	S	S	*	*			trans	-104.6	73.9	168.2	-86.5	163.8	0	0	0	109.6	I106	I106-L108 HydrophobicContact CG2-CG 4.47Å
109	S	33.5	Very low	30.4	Very low	92 Å²	92	147.6 Å²	147.6	64%	0.643	82%	0.817	S	S	*	*			trans	-164	98.6	157.7	-174.9	0	0	0	0	109.6
110	S	30.2	Very low	30.9	Very low	103 Å²	103	145.2 Å²	145.2	72%	0.72	81%	0.81	S	S	*	*			trans	-170.4	126	150.3	58.9	0	0	0	0	108.1
111	Y	37.3	Very low	31.5	Very low	200 Å²	200	143.2 Å²	143.2	78%	0.784	81%	0.81	S	S	*	*			trans	-123	132.6	157	-106.1	-85.4	0	0	0	110.2
112	V	29.9	Very low	31.7	Very low	113 Å²	113	143.6 Å²	143.6	69%	0.685	81%	0.813	S	S	*	*			trans	-86.5	133.9	-177.6	170	0	0	0	0	108.5
113	M	32	Very low	31.9	Very low	177 Å²	177	143.6 Å²	143.6	87%	0.872	81%	0.81	S	S	*	*			trans	-68.7	133.7	165.7	-69.8	-71.8	-157.3	0	0	109.3
114	N	29.5	Very low	32.4	Very low	159 Å²	159	148.8 Å²	148.8	85%	0.85	81%	0.814	S	S	*	*			trans	-148	140.8	155.5	-89	-31.9	0	0	0	111.4
115	A	30.3	Very low	32.6	Very low	99 Å²	99	154.6 Å²	154.6	82%	0.818	82%	0.817	S	S	*	*			trans	-77.6	170.1	-172.7	0	0	0	0	0	113.9
116	E	38.4	Very low	32.9	Very low	203 Å²	203	156.1 Å²	156.1	95%	0.949	82%	0.817	S	S	*	*			trans	-47.6	141	-177.6	-64.9	176.6	149.2	0	0	115.3
117	G	30.8	Very low	33.8	Very low	77 Å²	77	156 Å²	156	79%	0.794	81%	0.813	S	S	*	*			trans	176.1	113.1	168.5	0	0	0	0	0	110.9
118	D	38.3	Very low	34.6	Very low	170 Å²	170	157.9 Å²	157.9	91%	0.909	82%	0.822	S	S	*	*			trans	-66.9	161.3	176.2	-91.4	-38.4	0	0	0	113.7
119	E	32.3	Very low	36.2	Very low	183 Å²	183	153.1 Å²	153.1	86%	0.855	81%	0.814	S	S	*	*			trans	100.4	153.2	169	-74.6	-142.7	150.1	0	0	120.1
120	P	38.4	Very low	38.2	Very low	98 Å²	98	153.3 Å²	153.3	64%	0.636	81%	0.811	S	S	*	*				-125.7	-174.2	-70.7	28.5	-5.2	0	0	0	113.1	S122	P120-S122 PolarHBondContact O-N 3.18Å
121	S	38.8	Very low	41.1	Very low	130 Å²	130	151.3 Å²	151.3	91%	0.909	79%	0.791	S	S	*	*	S	Bend	trans	-60.5	63.5	-162.8	61.7	0	0	0	0	119.5
122	S	30.6	Very low	43.7	Very low	107 Å²	107	147.3 Å²	147.3	75%	0.748	78%	0.778	S	S	*	*			trans	-129.5	3.7	173.4	63.5	0	0	0	0	117.1	P120	P120-S122 PolarHBondContact O-N 3.18Å
123	K	32.7	Very low	46.8	Very low	189 Å²	189	144 Å²	144	82%	0.822	75%	0.753	S	S	*	*			trans	-101.6	10.4	-178.6	-69	-175.3	-178.5	172	0	116.3	R125	K123-R125 PolarHBondContact O-N 3.09Å
124	R	36.2	Very low	49.9	Very low	254 Å²	254	139.3 Å²	139.3	96%	0.958	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	5	-175.3	-98	-175	180	-179.7	-0.2	116.7
125	R	32.6	Very low	53.1	Low	240 Å²	240	135.7 Å²	135.7	91%	0.906	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	8.1	-176.6	-83.7	-174.9	175.6	178.1	-0.7	116.6	K123	K123-R125 PolarHBondContact O-N 3.09Å
126	K	34.3	Very low	56.2	Low	201 Å²	201	133.8 Å²	133.8	87%	0.874	68%	0.68	S	S	*	*	S	Bend	trans	-116.1	0.8	-177.4	-87.2	-173.3	176.1	-178	0	117.4
127	H	46.2	Very low	58.9	Low	150 Å²	150	130.5 Å²	130.5	69%	0.694	66%	0.66	S	S	*	*			trans	-106.8	32.3	-178	-86.6	-51.8	0	0	0	114.5	G129	H127-G129 PolarHBondContact O-N 3.07Å
128	Q	45.1	Very low	61.5	Low	199 Å²	199	130.4 Å²	130.4	93%	0.93	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	96.5	179.3	-156.7	170.4	11.5	0	0	109
129	G	62.2	Low	62.6	Low	71 Å²	71	127.2 Å²	127.2	73%	0.732	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	127.5	15.5	170.9	0	0	0	0	0	118	H127 I131	H127-G129 PolarHBondContact O-N 3.07Å; G129-I131 PolarHBondContact O-N 3.23Å
130	V	77.3	Confident	63.1	Low	96 Å²	96	122.8 Å²	122.8	58%	0.582	62%	0.619	S	S	*	*			trans	-82.5	104.9	174.5	-177.6	0	0	0	0	109.6	K132	V130-K132 HydrophobicContact CG1-CB 4.21Å; V130-K132 PolarHBondContact O-N 3.13Å
131	I	89.5	Confident	63	Low	61 Å²	61	126.2 Å²	126.2	31%	0.313	63%	0.626	S	S	.	*			trans	-78	109.8	171.9	-59.5	168.7	0	0	0	108	G129 L513 D517 T520 V521	G129-I131 PolarHBondContact O-N 3.23Å; I131-L513 HydrophobicContact CG2-CD1 4.07Å; I131-L513 HydrophobicContact CG2-CD2 3.94Å; I131-D517 HydrophobicContact CD1-CB 4.23Å; I131-D517 WeakPolarHBondContact CD1-O 3.36Å; I131-D517 HydrophobicContact CG1-CB 4.22Å; I131-D517 HydrophobicContact CG2-CB 3.98Å; I131-T520 HydrophobicContact CD1-CG2 3.65Å; I131-V521 HydrophobicContact CD1-CG1 4.45Å
132	K	92.7	Very high	62.9	Low	116 Å²	116	126.5 Å²	126.5	50%	0.504	62%	0.618	S	S	.	*			trans	-150.4	140.6	-179.7	-170.5	178.4	176.7	-175.7	0	110.7	V130 N134	V130-K132 HydrophobicContact CG1-CB 4.21Å; V130-K132 PolarHBondContact O-N 3.13Å; K132-N134 WeakPolarHBondContact CD-OD1 3.28Å; K132-N134 WeakPolarHBondContact CG-OD1 3.42Å
133	R	95.8	Very high	63.2	Low	44 Å²	44	130.5 Å²	130.5	17%	0.166	62%	0.622	C	S	.	*			trans	-88.8	126.9	168.9	-58	-171.4	67.7	-165.5	-1.5	109.5	L510 S511 L513 P535	R133-L510 HydrophobicContact CB-CD1 3.87Å; R133-L510 HydrophobicContact CB-CG 4.08Å; R133-L510 PolarHBondContact NH2-O 2.85Å; R133-S511 WeakPolarHBondContact CA-OG 3.44Å; R133-S511 PolarHBondContact NE-O 3.2Å; R133-S511 PolarHBondContact NH2-O 3.01Å; R133-L513 HydrophobicContact CG-CD1 4.2Å; R133-L513 HydrophobicContact CG-CD2 4.05Å; R133-L513 HydrophobicContact CG-CG 3.99Å; R133-P535 VanDerWaalsContact CZ-O 3.23Å; R133-P535 PolarHBondContact NH1-O 3.48Å; R133-P535 PolarHBondContact NH2-O 3.26Å
134	N	95.1	Very high	63.2	Low	79 Å²	79	130.2 Å²	130.2	42%	0.422	62%	0.623	S	S	.	*			trans	-119.3	147.4	-173.4	-60.5	-37.6	0	0	0	110.4	K132 E136 S511	K132-N134 WeakPolarHBondContact CD-OD1 3.28Å; K132-N134 WeakPolarHBondContact CG-OD1 3.42Å; N134-E136 PolarHBondContact O-N 3.47Å; N134-S511 PolarHBondContact N-OG 2.74Å; N134-S511 WeakPolarHBondContact O-CB 3.28Å; N134-S511 PolarHBondContact O-N 3.38Å
135	W	97.1	Very high	63.1	Low	83 Å²	83	127.6 Å²	127.6	31%	0.314	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.7	117.5	165.2	-81.5	105.6	0	0	0	109.5	Y137 A508 R509 L537 K539	W135-Y137 HydrophobicContact CB-CE2 3.95Å; W135-A508 HydrophobicContact CE3-CB 3.65Å; W135-A508 HydrophobicContact CZ3-CB 3.93Å; W135-R509 WeakPolarHBondContact CA-O 3.37Å; W135-L537 HydrophobicContact CH2-CD2 3.57Å; W135-L537 HydrophobicContact CH2-CG 3.59Å; W135-L537 HydrophobicContact CZ2-CD2 3.3Å; W135-L537 HydrophobicContact CZ2-CG 3.91Å; W135-L537 HydrophobicContact CZ3-CG 4.48Å; W135-K539 HydrophobicContact CH2-CD 4.03Å; W135-K539 HydrophobicContact CH2-CG 3.75Å; W135-K539 HydrophobicContact CZ3-CB 4.44Å; W135-K539 HydrophobicContact CZ3-CD 4.13Å; W135-K539 HydrophobicContact CZ3-CG 3.9Å
136	E	95.9	Very high	63.1	Low	58 Å²	58	122.1 Å²	122.1	27%	0.271	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	117.7	172.2	-65.9	173.5	-177.9	0	0	108.4	N134 M138 A508 R509 S511	N134-E136 PolarHBondContact O-N 3.47Å; E136-M138 HydrophobicContact CB-CE 3.79Å; E136-M138 WeakPolarHBondContact O-CE 3.48Å; E136-A508 CarbonylContact O-C 3.53Å; E136-A508 WeakPolarHBondContact O-CA 3.5Å; E136-A508 WeakPolarHBondContact O-CB 3.1Å; E136-R509 HydrophobicContact CB-CG 4.13Å; E136-R509 PolarHBondContact N-O 2.82Å; E136-R509 PolarHBondContact O-N 3.34Å; E136-R509 IonicContact OE2-CZ 3.82Å; E136-R509 IonicContact OE2-NE 3.96Å; E136-R509 PolarHBondContact OE2-NE 3.46Å; E136-R509 IonicContact OE2-NH2 2.67Å; E136-R509 PolarHBondContact OE2-NH2 2.82Å; E136-S511 WeakPolarHBondContact OE1-CB 3.39Å
137	Y	94.6	Very high	63.2	Low	135 Å²	135	121.5 Å²	121.5	53%	0.529	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.1	130.7	177.6	-71.4	-93.4	0	0	0	110.1	W135 L507 A508	W135-Y137 HydrophobicContact CB-CE2 3.95Å; Y137-L507 WeakPolarHBondContact CA-O 3.22Å; Y137-A508 HydrophobicContact CD1-CB 3.68Å; Y137-A508 HydrophobicContact CE1-CB 3.87Å; Y137-A508 HydrophobicContact CG-CB 4.07Å
138	M	86.9	Confident	63	Low	75 Å²	75	122.2 Å²	122.2	37%	0.369	62%	0.617	S	S	.	*	S	Bend	trans	-78.7	-24.6	-175.3	-58.1	-62.5	99.7	0	0	112.6	E136 S140 L506 L507 R509	E136-M138 HydrophobicContact CB-CE 3.79Å; E136-M138 WeakPolarHBondContact O-CE 3.48Å; M138-S140 PolarHBondContact O-N 2.9Å; M138-S140 VanDerWaalsContact O-N 3.14Å; M138-L506 WeakPolarHBondContact CB-O 3.27Å; M138-L506 HydrophobicContact CG-CB 4.48Å; M138-L506 HydrophobicContact CG-CD2 3.97Å; M138-L506 HydrophobicContact CG-CG 3.87Å; M138-L506 HydrophobicContact SD-CD2 4.26Å; M138-L507 PolarHBondContact N-O 3.14Å; M138-R509 HydrophobicContact CE-CG 4.19Å
139	C	60.9	Low	62.5	Low	103 Å²	103	120.8 Å²	120.8	70%	0.696	61%	0.614	S	S	*	*			trans	-82.6	86.1	174.4	-76.2	0	0	0	0	111.4
140	S	41.7	Very low	61.2	Low	89 Å²	89	121 Å²	121	62%	0.622	62%	0.616	S	S	*	*			trans	-134.6	-1.9	165.1	-65.1	0	0	0	0	114.6	M138	M138-S140 PolarHBondContact O-N 2.9Å; M138-S140 VanDerWaalsContact O-N 3.14Å
141	H	36.5	Very low	59.1	Low	170 Å²	170	123 Å²	123	79%	0.787	62%	0.624	S	S	*	*	S	Bend	trans	-93.6	-10.5	-175.2	-80.7	-62.3	0	0	0	116.5
142	D	36.2	Very low	56.7	Low	137 Å²	137	128 Å²	128	73%	0.733	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-92.4	-6	-177.5	-72.1	-35.9	0	0	0	115.2	E144	D142-E144 VanDerWaalsContact C-N 3.35Å; D142-E144 PolarHBondContact O-N 2.95Å
143	K	37.3	Very low	54.3	Low	191 Å²	191	130.4 Å²	130.4	83%	0.83	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-80.4	-10.2	-178.2	-74.9	-170.5	177.8	-178.4	0	114.8
144	E	34.1	Very low	51.5	Low	183 Å²	183	134.7 Å²	134.7	86%	0.855	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-89.8	-10	-178.3	-102.5	178.5	171.1	0	0	114.7	D142	D142-E144 VanDerWaalsContact C-N 3.35Å; D142-E144 PolarHBondContact O-N 2.95Å
145	K	33	Very low	48.6	Very low	198 Å²	198	138 Å²	138	86%	0.861	71%	0.711	S	S	*	*	S	Bend	trans	-98.9	1.4	179.8	-74.9	-174.1	179.8	174.8	0	115.6
146	T	33.4	Very low	46	Very low	125 Å²	125	139.7 Å²	139.7	77%	0.767	73%	0.732	S	S	*	*			trans	-122.5	37.5	-179	-22.2	0	0	0	0	113.3
147	K	36.8	Very low	43	Very low	188 Å²	188	146 Å²	146	82%	0.817	76%	0.759	S	S	*	*			trans	-117	82.9	159	-83	-172.4	178.1	179.7	0	108.8
148	I	40.8	Very low	40.3	Very low	166 Å²	166	145.4 Å²	145.4	85%	0.851	77%	0.773	S	S	*	*	S	Bend	trans	-173	91.5	141.6	-81.4	139.2	0	0	0	105
149	L	35	Very low	37.9	Very low	168 Å²	168	150.4 Å²	150.4	88%	0.88	80%	0.795	S	S	*	*				171.7	108.9	127.6	-154.8	71.9	0	0	0	107
150	G	34	Very low	37.1	Very low	75 Å²	75	152.3 Å²	152.3	77%	0.773	80%	0.798	S	S	*	*			trans	-70.5	153.1	172	0	0	0	0	0	111
151	D	32.9	Very low	37.6	Very low	139 Å²	139	150.9 Å²	150.9	74%	0.743	79%	0.789	S	S	*	*				179.6	152	83.6	-153.4	1.2	0	0	0	110.9
152	K	38.9	Very low	38.7	Very low	166 Å²	166	150.6 Å²	150.6	72%	0.722	79%	0.788	S	S	*	*			trans	70.6	108.9	160.2	-51.1	-169.8	-178.7	168.7	0	122.2
153	N	44.1	Very low	40.8	Very low	167 Å²	167	149.4 Å²	149.4	89%	0.893	78%	0.781	S	S	*	*			trans	33.7	90.2	131	-69.6	-13.1	0	0	0	117.6
154	V	35.8	Very low	43.3	Very low	133 Å²	133	143.9 Å²	143.9	81%	0.806	76%	0.757	S	S	*	*			trans	-134.1	119.8	148.2	-176.9	0	0	0	0	106.2
155	D	34.5	Very low	46.2	Very low	150 Å²	150	135.4 Å²	135.4	80%	0.802	72%	0.718	S	S	*	*			trans	-50.2	123.2	166.7	-97.3	-37.4	0	0	0	108.5	K157	D155-K157 PolarHBondContact O-N 3.12Å
156	P	42	Very low	49.2	Very low	118 Å²	118	128.5 Å²	128.5	77%	0.766	69%	0.69	S	S	*	*			trans	-74	90.9	171.8	30.4	-28.3	0	0	0	106.5	C158	P156-C158 PolarHBondContact O-N 3.23Å; P156-C158 VanDerWaalsContact O-N 3.08Å
157	K	33.4	Very low	52.3	Low	190 Å²	190	122.7 Å²	122.7	83%	0.826	65%	0.654	S	S	*	*			trans	-50.9	119	153.2	-82.9	-176.1	174.3	-179.3	0	105.9	D155 E159	D155-K157 PolarHBondContact O-N 3.12Å; K157-E159 VanDerWaalsContact C-N 3.25Å; K157-E159 PolarHBondContact O-N 3.23Å
158	C	37.4	Very low	55.2	Low	122 Å²	122	114.2 Å²	114.2	82%	0.824	62%	0.619	S	S	*	*			trans	-56.2	96.8	164.5	-90.8	0	0	0	0	107.2	P156 D160	P156-C158 PolarHBondContact O-N 3.23Å; P156-C158 VanDerWaalsContact O-N 3.08Å; C158-D160 VanDerWaalsContact C-N 3.33Å; C158-D160 PolarHBondContact O-N 3.15Å; C158-D160 VanDerWaalsContact O-N 3.15Å
159	E	37.8	Very low	58	Low	181 Å²	181	106.3 Å²	106.3	85%	0.846	58%	0.578	S	S	*	*			trans	-65	104.1	152.4	-72.7	-176.4	167	0	0	105.3	K157 S161	K157-E159 VanDerWaalsContact C-N 3.25Å; K157-E159 PolarHBondContact O-N 3.23Å; E159-S161 PolarHBondContact O-N 3.18Å
160	D	43.4	Very low	61	Low	142 Å²	142	98.3 Å²	98.3	76%	0.759	54%	0.536	S	S	*	.			trans	-50.2	113.6	163.9	-85.2	-37.6	0	0	0	107	C158 E162	C158-D160 VanDerWaalsContact C-N 3.33Å; C158-D160 PolarHBondContact O-N 3.15Å; C158-D160 VanDerWaalsContact O-N 3.15Å; D160-E162 VanDerWaalsContact C-N 3.29Å; D160-E162 PolarHBondContact O-N 3.44Å
161	S	51.4	Low	64.1	Low	60 Å²	60	94.8 Å²	94.8	42%	0.42	50%	0.499	S	S	.	.			trans	-72.4	87	-177.5	60.2	0	0	0	0	109	E159 N163 K164	E159-S161 PolarHBondContact O-N 3.18Å; S161-N163 PolarHBondContact O-N 3.09Å; S161-N163 VanDerWaalsContact O-N 3.08Å; S161-K164 VanDerWaalsContact OG-CD 3.22Å; S161-K164 WeakPolarHBondContact OG-CD 3.41Å; S161-K164 WeakPolarHBondContact OG-CE 3.35Å; S161-K164 PolarHBondContact OG-NZ 2.87Å
162	E	59.4	Low	67.3	Low	164 Å²	164	88.2 Å²	88.2	77%	0.766	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-5.8	-179.1	-71.1	-175	153.4	0	0	114	D160	D160-E162 VanDerWaalsContact C-N 3.29Å; D160-E162 PolarHBondContact O-N 3.44Å
163	N	81.7	Confident	70.1	Confident	112 Å²	112	80.3 Å²	80.3	60%	0.599	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	24.9	-173.5	-61	-14.3	0	0	0	114.8	S161 L544	S161-N163 PolarHBondContact O-N 3.09Å; S161-N163 VanDerWaalsContact O-N 3.08Å; N163-L544 PolarHBondContact O-N 2.83Å
164	K	89.9	Confident	72.7	Confident	74 Å²	74	72.5 Å²	72.5	32%	0.322	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.6	176.8	78.2	-163	-165.7	-151.9	0	113.7	S161 R541 L542	S161-K164 VanDerWaalsContact OG-CD 3.22Å; S161-K164 WeakPolarHBondContact OG-CD 3.41Å; S161-K164 WeakPolarHBondContact OG-CE 3.35Å; S161-K164 PolarHBondContact OG-NZ 2.87Å; K164-R541 HydrophobicContact CB-CG 4.21Å; K164-L542 WeakPolarHBondContact CA-O 3.46Å
165	F	93.8	Very high	75.7	Confident	6 Å²	6	66.2 Å²	66.2	3%	0.026	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	106	172.9	179.1	-101.6	0	0	0	110.8	F167 K262 F263 P294 I296 I304 L542 L544	F165-F167 HydrophobicContact CD1-CB 4.48Å; F165-F167 AromaticContact CD1-CD1 3.76Å; F165-F167 HydrophobicContact CD1-CD1 3.76Å; F165-F167 HydrophobicContact CD1-CE1 4.45Å; F165-F167 HydrophobicContact CD1-CG 4.44Å; F165-F167 HydrophobicContact CE1-CB 3.8Å; F165-F167 AromaticContact CE1-CD1 3.64Å; F165-F167 HydrophobicContact CE1-CD1 3.64Å; F165-F167 HydrophobicContact CE1-CE1 4.47Å; F165-F167 AromaticContact CE1-CG 3.9Å; F165-F167 HydrophobicContact CE1-CG 3.9Å; F165-F167 HydrophobicContact CZ-CB 4.24Å; F165-K262 HydrophobicContact CE2-CD 4.44Å; F165-F263 HydrophobicContact CE1-CD1 4.43Å; F165-F263 AromaticContact CE1-CE1 3.41Å; F165-F263 HydrophobicContact CE1-CE1 3.41Å; F165-F263 VanDerWaalsContact CE1-CE1 3.41Å; F165-F263 HydrophobicContact CE1-CE2 4.48Å; F165-F263 AromaticContact CE1-CZ 3.45Å; F165-F263 HydrophobicContact CE1-CZ 3.45Å; F165-F263 VanDerWaalsContact CE1-CZ 3.45Å; F165-F263 HydrophobicContact CZ-CD1 4.2Å; F165-F263 AromaticContact CZ-CE1 3.51Å; F165-F263 HydrophobicContact CZ-CE1 3.51Å; F165-F263 HydrophobicContact CZ-CE2 4.14Å; F165-F263 AromaticContact CZ-CZ 3.48Å; F165-F263 HydrophobicContact CZ-CZ 3.48Å; F165-F263 VanDerWaalsContact CZ-CZ 3.48Å; F165-P294 HydrophobicContact CD1-CB 3.95Å; F165-P294 HydrophobicContact CD1-CG 4.16Å; F165-P294 HydrophobicContact CD2-CB 4.06Å; F165-P294 HydrophobicContact CE1-CB 3.85Å; F165-P294 HydrophobicContact CE1-CG 4.09Å; F165-P294 HydrophobicContact CE2-CB 3.93Å; F165-P294 HydrophobicContact CG-CB 4.04Å; F165-P294 HydrophobicContact CZ-CB 3.83Å; F165-P294 HydrophobicContact CZ-CG 4.49Å; F165-I296 HydrophobicContact CB-CG2 4.16Å; F165-I296 HydrophobicContact CD2-CG2 3.37Å; F165-I296 HydrophobicContact CE2-CG2 4.09Å; F165-I296 HydrophobicContact CG-CG2 4.1Å; F165-I304 HydrophobicContact CD1-CD1 4.35Å; F165-I304 HydrophobicContact CE1-CD1 4.25Å; F165-L542 HydrophobicContact CB-CB 4.31Å; F165-L542 PolarHBondContact N-O 3.06Å; F165-L542 PolarHBondContact O-N 3.21Å; F165-L544 HydrophobicContact CB-CD1 4.36Å
166	D	96.1	Very high	78.8	Confident	53 Å²	53	59.1 Å²	59.1	28%	0.283	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	135.6	175.9	-68	-4.3	0	0	0	110.1	K262 L507 F540 R541	D166-K262 PolarHBondContact O-NZ 2.66Å; D166-L507 HydrophobicContact CB-CD1 4.5Å; D166-F540 VanDerWaalsContact CA-O 3.3Å; D166-F540 WeakPolarHBondContact CA-O 3.31Å; D166-R541 VanDerWaalsContact OD1-CB 3.3Å; D166-R541 WeakPolarHBondContact OD1-CB 3.12Å; D166-R541 VanDerWaalsContact OD1-CG 3.27Å; D166-R541 WeakPolarHBondContact OD1-CG 3.49Å; D166-R541 IonicContact OD1-CZ 3.81Å; D166-R541 IonicContact OD1-NE 3.24Å; D166-R541 PolarHBondContact OD1-NE 3.2Å; D166-R541 IonicContact OD1-NH2 3.57Å; D166-R541 IonicContact OD2-CZ 3.39Å; D166-R541 IonicContact OD2-NE 3.81Å; D166-R541 IonicContact OD2-NH2 2.84Å; D166-R541 PolarHBondContact OD2-NH2 3.02Å
167	F	98.2	Very high	81.5	Confident	3 Å²	3	54.1 Å²	54.1	1%	0.013	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	161.5	175.7	70.8	-76.7	0	0	0	111.3	F165 V169 D214 V215 F263 I304 V347 L504 K539 F540	F165-F167 HydrophobicContact CD1-CB 4.48Å; F165-F167 AromaticContact CD1-CD1 3.76Å; F165-F167 HydrophobicContact CD1-CD1 3.76Å; F165-F167 HydrophobicContact CD1-CE1 4.45Å; F165-F167 HydrophobicContact CD1-CG 4.44Å; F165-F167 HydrophobicContact CE1-CB 3.8Å; F165-F167 AromaticContact CE1-CD1 3.64Å; F165-F167 HydrophobicContact CE1-CD1 3.64Å; F165-F167 HydrophobicContact CE1-CE1 4.47Å; F165-F167 AromaticContact CE1-CG 3.9Å; F165-F167 HydrophobicContact CE1-CG 3.9Å; F165-F167 HydrophobicContact CZ-CB 4.24Å; F167-V169 HydrophobicContact CD2-CG2 3.79Å; F167-V169 HydrophobicContact CE2-CG2 3.48Å; F167-V169 VanDerWaalsContact CE2-CG2 3.48Å; F167-D214 VanDerWaalsContact CA-OD2 3.31Å; F167-D214 WeakPolarHBondContact CA-OD2 3.42Å; F167-D214 HydrophobicContact CB-CB 4.15Å; F167-V215 HydrophobicContact CD2-CG2 4.45Å; F167-F263 HydrophobicContact CB-CE2 4.42Å; F167-F263 HydrophobicContact CB-CZ 3.93Å; F167-F263 AromaticContact CD2-CZ 3.93Å; F167-F263 HydrophobicContact CD2-CZ 3.93Å; F167-F263 AromaticContact CG-CZ 3.93Å; F167-F263 HydrophobicContact CG-CZ 3.93Å; F167-I304 HydrophobicContact CD1-CD1 4.22Å; F167-I304 HydrophobicContact CE1-CD1 3.57Å; F167-I304 HydrophobicContact CE2-CD1 4.47Å; F167-I304 HydrophobicContact CZ-CD1 3.72Å; F167-I304 HydrophobicContact CZ-CG2 4.35Å; F167-V347 HydrophobicContact CE2-CG2 4.39Å; F167-V347 HydrophobicContact CZ-CG2 4.25Å; F167-L504 HydrophobicContact CE1-CD1 4.44Å; F167-L504 HydrophobicContact CE1-CD2 3.79Å; F167-L504 HydrophobicContact CZ-CD1 3.92Å; F167-L504 HydrophobicContact CZ-CD2 4.11Å; F167-K539 CarbonylContact O-C 3.56Å; F167-K539 WeakPolarHBondContact O-CA 3.32Å; F167-F540 HydrophobicContact CD1-CB 4.26Å; F167-F540 HydrophobicContact CE1-CB 3.78Å; F167-F540 HydrophobicContact CE2-CD2 4.17Å; F167-F540 HydrophobicContact CZ-CB 3.93Å; F167-F540 HydrophobicContact CZ-CD2 4.17Å; F167-F540 HydrophobicContact CZ-CG 4.39Å; F167-F540 PolarHBondContact N-O 2.98Å; F167-F540 PolarHBondContact O-N 3.01Å
168	S	98.9	Very high	84.6	Confident	10 Å²	10	48 Å²	48	7%	0.07	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	147	-178.6	52.7	0	0	0	0	112.2	A213 D214 V215 A538	S168-A213 VanDerWaalsContact OG-CA 3.3Å; S168-A213 WeakPolarHBondContact OG-CA 3.32Å; S168-D214 PolarHBondContact N-OD2 3.06Å; S168-D214 PolarHBondContact O-N 2.81Å; S168-D214 VanDerWaalsContact O-N 3.11Å; S168-D214 PolarHBondContact OG-N 3.4Å; S168-D214 PolarHBondContact OG-OD2 3.39Å; S168-V215 PolarHBondContact O-N 2.81Å; S168-A538 CarbonylContact C-O 3.54Å; S168-A538 WeakPolarHBondContact CA-O 3.41Å; S168-A538 WeakPolarHBondContact CB-O 3.39Å
169	V	98.9	Very high	87.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.9	-177.8	-174.6	0	0	0	0	109.6	F167 V215 V347 L537 A538 F540	F167-V169 HydrophobicContact CD2-CG2 3.79Å; F167-V169 HydrophobicContact CE2-CG2 3.48Å; F167-V169 VanDerWaalsContact CE2-CG2 3.48Å; V169-V215 CarbonylContact C-O 3.5Å; V169-V215 WeakPolarHBondContact CA-O 3.44Å; V169-V215 HydrophobicContact CG1-CB 4.41Å; V169-V215 HydrophobicContact CG1-CG1 4.47Å; V169-V215 HydrophobicContact CG2-CB 4.22Å; V169-V347 HydrophobicContact CG1-CG1 4.09Å; V169-V347 HydrophobicContact CG2-CG1 4.27Å; V169-L537 WeakPolarHBondContact O-CA 3.43Å; V169-A538 PolarHBondContact N-O 2.68Å; V169-A538 PolarHBondContact O-N 2.84Å; V169-F540 HydrophobicContact CB-CE2 4.16Å; V169-F540 HydrophobicContact CG2-CD2 3.91Å; V169-F540 HydrophobicContact CG2-CE2 3.91Å
170	M	98.9	Very high	90.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.1	169.5	-177	-179.8	-74.6	0	0	110.2	Y172 I208 F211 A213 V215 L216 C217 P535 L536 L537	M170-Y172 HydrophobicContact SD-CD1 4.43Å; M170-I208 HydrophobicContact SD-CG1 4.18Å; M170-F211 HydrophobicContact CE-CB 3.56Å; M170-F211 HydrophobicContact CE-CD2 3.55Å; M170-F211 HydrophobicContact CE-CG 3.9Å; M170-A213 HydrophobicContact CB-CB 3.91Å; M170-V215 PolarHBondContact N-O 2.92Å; M170-L216 HydrophobicContact CB-CD2 3.77Å; M170-L216 HydrophobicContact CG-CD2 4.44Å; M170-L216 HydrophobicContact SD-CD2 4.05Å; M170-C217 PolarHBondContact O-N 2.95Å; M170-P535 HydrophobicContact CE-CB 4.35Å; M170-P535 HydrophobicContact CG-CB 4.19Å; M170-P535 HydrophobicContact SD-CB 4.13Å; M170-L536 CarbonylContact C-O 3.15Å; M170-L536 WeakPolarHBondContact CA-O 3.38Å; M170-L536 WeakPolarHBondContact CG-O 3.28Å; M170-L537 HydrophobicContact CB-CD1 3.91Å; M170-L537 HydrophobicContact CE-CD1 4.32Å
171	S	98.9	Very high	93	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.2	164.2	-172.3	0	0	0	0	109	C217 Q219 G350 L536	S171-C217 CarbonylContact C-O 3.57Å; S171-C217 VanDerWaalsContact CA-O 3.28Å; S171-C217 WeakPolarHBondContact CA-O 3.37Å; S171-Q219 PolarHBondContact OG-NE2 2.87Å; S171-G350 PolarHBondContact OG-N 3.42Å; S171-L536 PolarHBondContact N-O 3.09Å; S171-L536 PolarHBondContact O-N 2.86Å
172	Y	98.9	Very high	95.2	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	114.6	-175.2	-163.8	-167.1	0	0	0	113.8	M170 I174 I204 C217 L218 Q219 S531 H533 P535	M170-Y172 HydrophobicContact SD-CD1 4.43Å; Y172-I174 HydrophobicContact CD1-CG2 3.81Å; Y172-I174 HydrophobicContact CE1-CG2 4.27Å; Y172-I174 HydrophobicContact CG-CG2 4Å; Y172-I174 PolarHBondContact O-N 2.89Å; Y172-I204 HydrophobicContact CE1-CG2 4.49Å; Y172-C217 PolarHBondContact N-O 3.03Å; Y172-L218 VanDerWaalsContact O-CA 3.28Å; Y172-L218 WeakPolarHBondContact O-CA 3.41Å; Y172-Q219 PolarHBondContact O-N 3.28Å; Y172-Q219 PolarHBondContact O-OE1 3.22Å; Y172-S531 WeakPolarHBondContact OH-CB 3.46Å; Y172-H533 HydrophobicContact CE2-CB 4.47Å; Y172-H533 VanDerWaalsContact CE2-O 3.26Å; Y172-H533 WeakPolarHBondContact CE2-O 3.42Å; Y172-P535 HydrophobicContact CD1-CB 3.75Å; Y172-P535 HydrophobicContact CD1-CG 4.35Å; Y172-P535 HydrophobicContact CD2-CB 3.91Å; Y172-P535 HydrophobicContact CE1-CB 4.07Å; Y172-P535 HydrophobicContact CE1-CG 4.16Å; Y172-P535 HydrophobicContact CE2-CB 4.24Å; Y172-P535 HydrophobicContact CE2-CG 4.41Å; Y172-P535 HydrophobicContact CG-CB 3.67Å
173	N	98.9	Very high	97	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	115	163.9	-177.5	-19.5	0	0	0	108	L175 Q219 E220 D351 S531 H533	N173-L175 PolarHBondContact OD1-N 3.41Å; N173-L175 VanDerWaalsContact OD1-N 3.08Å; N173-Q219 HydrophobicContact CB-CB 4.12Å; N173-E220 PolarHBondContact ND2-OE1 2.96Å; N173-E220 VanDerWaalsContact OD1-CB 3.31Å; N173-E220 WeakPolarHBondContact OD1-CB 3.19Å; N173-E220 WeakPolarHBondContact OD1-CG 3.19Å; N173-E220 PolarHBondContact OD1-OE1 3.15Å; N173-D351 PolarHBondContact ND2-OD2 3.35Å; N173-S531 WeakPolarHBondContact O-CB 3.4Å; N173-S531 PolarHBondContact O-OG 3.36Å; N173-H533 HydrophobicContact CB-CB 4.07Å
174	I	98.9	Very high	97.8	Very high	3 Å²	3	29 Å²	29	2%	0.015	15%	0.153	C	C	.	.			trans	-94.4	4.7	-171.6	64.2	167	0	0	0	114	Y172 R200 I204 L218 Q219 V221 I230	Y172-I174 HydrophobicContact CD1-CG2 3.81Å; Y172-I174 HydrophobicContact CE1-CG2 4.27Å; Y172-I174 HydrophobicContact CG-CG2 4Å; Y172-I174 PolarHBondContact O-N 2.89Å; I174-R200 PolarHBondContact O-NH1 3.45Å; I174-R200 VanDerWaalsContact O-NH1 3.09Å; I174-I204 HydrophobicContact CB-CD1 4.34Å; I174-I204 HydrophobicContact CB-CG2 4.33Å; I174-I204 HydrophobicContact CG2-CG2 3.96Å; I174-L218 HydrophobicContact CG2-CD2 4.2Å; I174-Q219 WeakPolarHBondContact CG1-O 3.45Å; I174-Q219 PolarHBondContact N-O 3.18Å; I174-V221 HydrophobicContact CD1-CG2 3.9Å; I174-V221 HydrophobicContact CG1-CG2 4.25Å; I174-I230 HydrophobicContact CD1-CD1 4Å
175	L	98.8	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.			trans	57.7	102.9	-178.5	-179.6	59.1	0	0	0	112.5	N173 L180 Y187 R200 E220 P525 D532	N173-L175 PolarHBondContact OD1-N 3.41Å; N173-L175 VanDerWaalsContact OD1-N 3.08Å; L175-L180 HydrophobicContact CD1-CB 4.08Å; L175-L180 HydrophobicContact CD2-CB 4.27Å; L175-L180 HydrophobicContact CD2-CD1 3.63Å; L175-L180 HydrophobicContact CD2-CG 4.04Å; L175-L180 HydrophobicContact CG-CB 4.07Å; L175-L180 HydrophobicContact CG-CD1 4.11Å; L175-L180 HydrophobicContact CG-CG 4.39Å; L175-Y187 HydrophobicContact CD1-CE2 4.5Å; L175-Y187 VanDerWaalsContact CD1-OH 3.28Å; L175-Y187 WeakPolarHBondContact CD1-OH 3.45Å; L175-Y187 HydrophobicContact CD2-CE1 4.13Å; L175-R200 VanDerWaalsContact O-CZ 3.3Å; L175-R200 PolarHBondContact O-NH1 2.87Å; L175-R200 PolarHBondContact O-NH2 3.37Å; L175-E220 WeakPolarHBondContact CA-OE2 3.18Å; L175-P525 HydrophobicContact CD2-CG 4.32Å; L175-D532 WeakPolarHBondContact CB-OD1 3.24Å; L175-D532 HydrophobicContact CD2-CB 4.29Å
176	S	98.8	Very high	98.3	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	16%	0.156	C	C	.	.			trans	-62.3	141.8	177.7	167.3	0	0	0	0	110.4	L179 L180 E220 Q222	S176-L179 PolarHBondContact O-N 3.41Å; S176-L180 VanDerWaalsContact O-CB 3.3Å; S176-L180 WeakPolarHBondContact O-CB 3.39Å; S176-L180 PolarHBondContact O-N 3.15Å; S176-E220 WeakPolarHBondContact CA-O 3.36Å; S176-E220 WeakPolarHBondContact CB-O 3.39Å; S176-E220 PolarHBondContact N-O 2.95Å; S176-E220 PolarHBondContact N-OE2 3.22Å; S176-Q222 PolarHBondContact OG-OE1 2.92Å
177	Q	98.8	Very high	98.4	Very high	12 Å²	12	27.2 Å²	27.2	6%	0.056	14%	0.144	C	C	.	.	H	α-helix	trans	-67.7	-43.1	-177.9	-172.4	63.1	27.3	0	0	111.1	L179 L180 E181 L195 W197 R200 Q222	Q177-L179 VanDerWaalsContact C-N 3.32Å; Q177-L179 PolarHBondContact O-N 3.11Å; Q177-L180 WeakPolarHBondContact O-CB 2.89Å; Q177-L180 PolarHBondContact O-N 2.98Å; Q177-E181 PolarHBondContact NE2-OE1 3.09Å; Q177-E181 WeakPolarHBondContact O-CG 3.44Å; Q177-E181 PolarHBondContact O-N 3.33Å; Q177-L195 PolarHBondContact NE2-O 2.78Å; Q177-L195 PolarHBondContact OE1-O 2.89Å; Q177-W197 HydrophobicContact CB-CB 4.35Å; Q177-W197 HydrophobicContact CG-CB 4.01Å; Q177-R200 VanDerWaalsContact OE1-NE 3.1Å; Q177-Q222 VanDerWaalsContact N-OE1 3.1Å
178	D	98.6	Very high	98.3	Very high	63 Å²	63	35.8 Å²	35.8	34%	0.337	18%	0.176	S	C	.	.	H	α-helix	trans	-60.3	-44	176.4	-72.5	9.4	0	0	0	110.7	E181 D182 Q222 P251	D178-E181 PolarHBondContact O-N 2.87Å; D178-D182 WeakPolarHBondContact O-CB 3.49Å; D178-D182 PolarHBondContact O-N 3Å; D178-Q222 PolarHBondContact OD1-NE2 3.02Å; D178-Q222 PolarHBondContact OD1-OE1 3.09Å; D178-P251 HydrophobicContact CB-CB 4.29Å; D178-P251 HydrophobicContact CB-CG 3.75Å; D178-P251 VanDerWaalsContact OD2-CB 3.3Å; D178-P251 WeakPolarHBondContact OD2-CB 3.32Å
179	L	98.3	Very high	98.3	Very high	25 Å²	25	37.7 Å²	37.7	13%	0.131	18%	0.184	C	C	.	.	H	α-helix	trans	-68.6	-36.4	179.6	-60.9	-174.3	0	0	0	112.4	S176 Q177 N183 E220 P251	S176-L179 PolarHBondContact O-N 3.41Å; Q177-L179 VanDerWaalsContact C-N 3.32Å; Q177-L179 PolarHBondContact O-N 3.11Å; L179-N183 WeakPolarHBondContact O-CB 3.32Å; L179-N183 PolarHBondContact O-N 2.98Å; L179-N183 PolarHBondContact O-ND2 2.93Å; L179-E220 HydrophobicContact CD1-CG 4.14Å; L179-P251 HydrophobicContact CD2-CG 4.48Å
180	L	98.5	Very high	98.2	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-48.6	172.9	-175.5	167.8	0	0	0	110.4	L175 S176 Q177 N183 S184 Y187 L195	L175-L180 HydrophobicContact CD1-CB 4.08Å; L175-L180 HydrophobicContact CD2-CB 4.27Å; L175-L180 HydrophobicContact CD2-CD1 3.63Å; L175-L180 HydrophobicContact CD2-CG 4.04Å; L175-L180 HydrophobicContact CG-CB 4.07Å; L175-L180 HydrophobicContact CG-CD1 4.11Å; L175-L180 HydrophobicContact CG-CG 4.39Å; S176-L180 VanDerWaalsContact O-CB 3.3Å; S176-L180 WeakPolarHBondContact O-CB 3.39Å; S176-L180 PolarHBondContact O-N 3.15Å; Q177-L180 WeakPolarHBondContact O-CB 2.89Å; Q177-L180 PolarHBondContact O-N 2.98Å; L180-N183 CarbonylContact O-C 3.12Å; L180-N183 VanDerWaalsContact O-C 3.24Å; L180-N183 PolarHBondContact O-N 3.17Å; L180-S184 WeakPolarHBondContact O-CA 3.41Å; L180-S184 PolarHBondContact O-N 2.69Å; L180-Y187 HydrophobicContact CB-CE2 4.28Å; L180-Y187 HydrophobicContact CD2-CD2 4.15Å; L180-Y187 HydrophobicContact CG-CD2 3.85Å; L180-Y187 HydrophobicContact CG-CE2 3.95Å; L180-L195 HydrophobicContact CD1-CB 4.46Å; L180-L195 HydrophobicContact CD1-CD2 4.19Å; L180-L195 HydrophobicContact CD2-CB 4.17Å; L180-L195 HydrophobicContact CD2-CD1 4.45Å; L180-L195 HydrophobicContact CD2-CD2 4.35Å
181	E	98.3	Very high	98.1	Very high	108 Å²	108	45.9 Å²	45.9	51%	0.505	22%	0.216	S	C	.	.	H	α-helix	trans	-68	-45.4	-177.5	-70.9	179.3	-168.4	0	0	111.9	Q177 D178 N183 S184	Q177-E181 PolarHBondContact NE2-OE1 3.09Å; Q177-E181 WeakPolarHBondContact O-CG 3.44Å; Q177-E181 PolarHBondContact O-N 3.33Å; D178-E181 PolarHBondContact O-N 2.87Å; E181-N183 PolarHBondContact O-N 2.84Å; E181-S184 WeakPolarHBondContact O-CB 3.29Å; E181-S184 PolarHBondContact O-N 2.96Å; E181-S184 PolarHBondContact O-OG 3.06Å
182	D	97.9	Very high	98	Very high	127 Å²	127	53.3 Å²	53.3	68%	0.679	24%	0.244	S	C	*	.	H	α-helix	trans	-58.3	-33.5	174	-81.8	-10.4	0	0	0	112.1	D178	D178-D182 WeakPolarHBondContact O-CB 3.49Å; D178-D182 PolarHBondContact O-N 3Å
183	N	97.6	Very high	98	Very high	61 Å²	61	57 Å²	57	33%	0.326	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	29.8	-179.8	-61.8	-79.9	0	0	0	113.2	L179 L180 E181 H185 L186 Y187	L179-N183 WeakPolarHBondContact O-CB 3.32Å; L179-N183 PolarHBondContact O-N 2.98Å; L179-N183 PolarHBondContact O-ND2 2.93Å; L180-N183 CarbonylContact O-C 3.12Å; L180-N183 VanDerWaalsContact O-C 3.24Å; L180-N183 PolarHBondContact O-N 3.17Å; E181-N183 PolarHBondContact O-N 2.84Å; N183-H185 PolarHBondContact O-N 3.35Å; N183-L186 HydrophobicContact CB-CD1 3.86Å; N183-L186 HydrophobicContact CB-CG 4.19Å; N183-L186 WeakPolarHBondContact O-CB 3.47Å; N183-L186 PolarHBondContact O-N 3.38Å; N183-Y187 HydrophobicContact CB-CE2 4.48Å
184	S	97.1	Very high	98	Very high	56 Å²	56	57.2 Å²	57.2	39%	0.392	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-52.3	-20	-177.5	60.5	0	0	0	0	115.6	L180 E181 L186 Y187	L180-S184 WeakPolarHBondContact O-CA 3.41Å; L180-S184 PolarHBondContact O-N 2.69Å; E181-S184 WeakPolarHBondContact O-CB 3.29Å; E181-S184 PolarHBondContact O-N 2.96Å; E181-S184 PolarHBondContact O-OG 3.06Å; S184-L186 VanDerWaalsContact C-N 3.26Å; S184-L186 PolarHBondContact O-N 2.99Å; S184-Y187 PolarHBondContact O-N 2.76Å
185	H	97.5	Very high	97.9	Very high	69 Å²	69	57.6 Å²	57.6	32%	0.319	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-65.3	-23.3	173	72.1	-80.6	0	0	0	114.2	N183	N183-H185 PolarHBondContact O-N 3.35Å
186	L	97.5	Very high	97.9	Very high	18 Å²	18	62.6 Å²	62.6	9%	0.094	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-77.1	-23.3	175.9	-59.4	-177.9	0	0	0	112.8	N183 S184 H189 S472 R473	N183-L186 HydrophobicContact CB-CD1 3.86Å; N183-L186 HydrophobicContact CB-CG 4.19Å; N183-L186 WeakPolarHBondContact O-CB 3.47Å; N183-L186 PolarHBondContact O-N 3.38Å; S184-L186 VanDerWaalsContact C-N 3.26Å; S184-L186 PolarHBondContact O-N 2.99Å; L186-H189 PolarHBondContact O-CE1 3.4Å; L186-H189 PolarHBondContact O-ND1 3.1Å; L186-S472 WeakPolarHBondContact O-CB 3.43Å; L186-S472 PolarHBondContact O-N 2.82Å; L186-S472 VanDerWaalsContact O-N 3.07Å; L186-S472 PolarHBondContact O-OG 3.36Å; L186-S472 VanDerWaalsContact O-OG 3.05Å; L186-R473 HydrophobicContact CD2-CB 4.08Å; L186-R473 VanDerWaalsContact CD2-CD 3.49Å; L186-R473 HydrophobicContact CD2-CG 3.67Å
187	Y	98.3	Very high	97.9	Very high	8 Å²	8	63.5 Å²	63.5	3%	0.031	30%	0.298	C	S	.	.			trans	-113	23.1	-170.8	-48.5	-64	0	0	0	112.9	L175 L180 N183 S184 H189 C190 H471 D532	L175-Y187 HydrophobicContact CD1-CE2 4.5Å; L175-Y187 VanDerWaalsContact CD1-OH 3.28Å; L175-Y187 WeakPolarHBondContact CD1-OH 3.45Å; L175-Y187 HydrophobicContact CD2-CE1 4.13Å; L180-Y187 HydrophobicContact CB-CE2 4.28Å; L180-Y187 HydrophobicContact CD2-CD2 4.15Å; L180-Y187 HydrophobicContact CG-CD2 3.85Å; L180-Y187 HydrophobicContact CG-CE2 3.95Å; N183-Y187 HydrophobicContact CB-CE2 4.48Å; S184-Y187 PolarHBondContact O-N 2.76Å; Y187-H189 PolarHBondContact O-N 2.8Å; Y187-C190 WeakPolarHBondContact O-CB 3.48Å; Y187-C190 PolarHBondContact O-N 2.72Å; Y187-C190 VanDerWaalsContact O-N 3.15Å; Y187-H471 HydrophobicContact CD1-CB 4.39Å; Y187-H471 HydrophobicContact CE1-CB 4.1Å; Y187-D532 HydrophobicContact CE1-CB 3.78Å; Y187-D532 VanDerWaalsContact CE1-OD2 3.31Å; Y187-D532 WeakPolarHBondContact CE1-OD2 3.47Å; Y187-D532 PolarHBondContact OH-OD2 2.76Å
188	R	97	Very high	97.9	Very high	183 Å²	183	67.6 Å²	67.6	69%	0.691	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.7	179.4	-69.1	180	-176.9	166.6	3.5	113.6	C190	R188-C190 VanDerWaalsContact C-N 3.31Å
189	H	97.6	Very high	97.9	Very high	50 Å²	50	68.1 Å²	68.1	23%	0.231	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-20.6	178.5	66.6	-80.1	0	0	0	112.4	L186 Y187 S472 W519 N522 L524	L186-H189 PolarHBondContact O-CE1 3.4Å; L186-H189 PolarHBondContact O-ND1 3.1Å; Y187-H189 PolarHBondContact O-N 2.8Å; H189-S472 PolarHBondContact ND1-OG 2.99Å; H189-W519 HydrophobicContact CB-CZ3 4.32Å; H189-W519 AromaticContact CD2-CZ3 3.78Å; H189-N522 PolarHBondContact CD2-O 2.99Å; H189-L524 PolarHBondContact CE1-O 3.43Å; H189-L524 VanDerWaalsContact CE1-O 3.27Å; H189-L524 PolarHBondContact NE2-O 2.64Å; H189-L524 VanDerWaalsContact NE2-O 3.08Å
190	C	97.8	Very high	98	Very high	13 Å²	13	67 Å²	67	9%	0.088	32%	0.321	C	S	.	.	S	Bend	trans	-78.6	147.6	-177.7	-50	0	0	0	0	111.9	Y187 R188 R192 V194 L195 P525	Y187-C190 WeakPolarHBondContact O-CB 3.48Å; Y187-C190 PolarHBondContact O-N 2.72Å; Y187-C190 VanDerWaalsContact O-N 3.15Å; R188-C190 VanDerWaalsContact C-N 3.31Å; C190-R192 PolarHBondContact O-N 3.39Å; C190-V194 HydrophobicContact CB-CG2 4.23Å; C190-L195 HydrophobicContact CB-CD1 4.16Å; C190-L195 HydrophobicContact CB-CD2 3.66Å; C190-L195 HydrophobicContact CB-CG 4.03Å; C190-P525 PolarHBondContact SG-O 2.9Å
191	R	97.3	Very high	98	Very high	159 Å²	159	67.5 Å²	67.5	60%	0.6	32%	0.324	S	S	*	.			trans	-67.6	130.9	168.1	-64.6	-179.2	66.4	-170.1	-1.1	109.6	P193 V194 E527	R191-P193 VanDerWaalsContact C-CD 3.48Å; R191-V194 HydrophobicContact CB-CG1 4.31Å; R191-V194 HydrophobicContact CB-CG2 4.45Å; R191-V194 WeakPolarHBondContact O-CG2 3.43Å; R191-V194 PolarHBondContact O-N 2.81Å; R191-V194 VanDerWaalsContact O-N 3.07Å; R191-E527 VanDerWaalsContact CD-OE1 3.28Å; R191-E527 WeakPolarHBondContact CD-OE1 3.46Å; R191-E527 IonicContact CZ-OE1 3.61Å; R191-E527 IonicContact NE-OE1 3.56Å; R191-E527 IonicContact NH1-OE1 2.79Å; R191-E527 PolarHBondContact NH1-OE1 2.88Å; R191-E527 IonicContact NH1-OE2 3.82Å
192	R	96.7	Very high	98	Very high	155 Å²	155	65.7 Å²	65.7	59%	0.585	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-51.9	-43.4	-174.9	-64.8	-67.1	178	173	-2.8	115.3	C190 V194 L195	C190-R192 PolarHBondContact O-N 3.39Å; R192-V194 PolarHBondContact O-N 3.31Å; R192-L195 PolarHBondContact O-N 3.43Å
193	P	97.9	Very high	98	Very high	79 Å²	79	61.3 Å²	61.3	51%	0.513	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-61.3	-28.5	-179	-25.8	36.5	0	0	0	114.3	R191 L195	R191-P193 VanDerWaalsContact C-CD 3.48Å; P193-L195 PolarHBondContact O-N 2.8Å
194	V	98.3	Very high	98.1	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.03	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-76	-12.1	-176.9	-50.6	0	0	0	0	113	C190 R191 R192 F199 R200 E527	C190-V194 HydrophobicContact CB-CG2 4.23Å; R191-V194 HydrophobicContact CB-CG1 4.31Å; R191-V194 HydrophobicContact CB-CG2 4.45Å; R191-V194 WeakPolarHBondContact O-CG2 3.43Å; R191-V194 PolarHBondContact O-N 2.81Å; R191-V194 VanDerWaalsContact O-N 3.07Å; R192-V194 PolarHBondContact O-N 3.31Å; V194-F199 HydrophobicContact CB-CD1 4.06Å; V194-F199 HydrophobicContact CB-CE1 3.88Å; V194-F199 HydrophobicContact CG1-CD1 4.48Å; V194-F199 HydrophobicContact CG1-CE1 3.94Å; V194-F199 HydrophobicContact CG1-CZ 4.09Å; V194-R200 WeakPolarHBondContact O-CG 3.12Å; V194-E527 HydrophobicContact CG1-CB 4.37Å; V194-E527 HydrophobicContact CG1-CG 3.59Å
195	L	98.6	Very high	98.2	Very high	12 Å²	12	57.7 Å²	57.7	6%	0.063	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-88.6	-14.9	-177.4	-62.8	-179.3	0	0	0	113.3	Q177 L180 C190 R192 P193 P525	Q177-L195 PolarHBondContact NE2-O 2.78Å; Q177-L195 PolarHBondContact OE1-O 2.89Å; L180-L195 HydrophobicContact CD1-CB 4.46Å; L180-L195 HydrophobicContact CD1-CD2 4.19Å; L180-L195 HydrophobicContact CD2-CB 4.17Å; L180-L195 HydrophobicContact CD2-CD1 4.45Å; L180-L195 HydrophobicContact CD2-CD2 4.35Å; C190-L195 HydrophobicContact CB-CD1 4.16Å; C190-L195 HydrophobicContact CB-CD2 3.66Å; C190-L195 HydrophobicContact CB-CG 4.03Å; R192-L195 PolarHBondContact O-N 3.43Å; P193-L195 PolarHBondContact O-N 2.8Å; L195-P525 HydrophobicContact CD2-CG 3.53Å
196	H	98.6	Very high	98.2	Very high	104 Å²	104	61.6 Å²	61.6	48%	0.481	29%	0.29	S	S	.	.	S	Bend	trans	-73.8	136.2	-179.8	-68.3	-63.8	0	0	0	111	S198 F199 R200	H196-S198 PolarHBondContact O-N 2.82Å; H196-F199 WeakPolarHBondContact O-CA 3.36Å; H196-F199 WeakPolarHBondContact O-CB 3.49Å; H196-F199 PolarHBondContact O-N 2.85Å; H196-R200 WeakPolarHBondContact O-CG 3.26Å; H196-R200 PolarHBondContact O-N 2.65Å
197	W	98.8	Very high	98.2	Very high	22 Å²	22	62.1 Å²	62.1	8%	0.083	29%	0.292	C	S	.	.	H	α-helix	trans	-52.7	-40.2	178.8	-179.3	-115.4	0	0	0	113.3	Q177 F199 R200 F201 I204 H225 E229 I230	Q177-W197 HydrophobicContact CB-CB 4.35Å; Q177-W197 HydrophobicContact CG-CB 4.01Å; W197-F199 PolarHBondContact O-N 2.89Å; W197-F199 VanDerWaalsContact O-N 3.11Å; W197-R200 HydrophobicContact CE3-CB 4.4Å; W197-R200 PolarHBondContact O-N 2.85Å; W197-F201 HydrophobicContact CD2-CB 3.88Å; W197-F201 AromaticContact CE2-CG 3.94Å; W197-F201 HydrophobicContact CE3-CB 4.21Å; W197-F201 HydrophobicContact CH2-CB 3.94Å; W197-F201 AromaticContact CH2-CD2 3.72Å; W197-F201 HydrophobicContact CH2-CD2 3.72Å; W197-F201 HydrophobicContact CH2-CG 4.18Å; W197-F201 HydrophobicContact CZ2-CB 3.55Å; W197-F201 AromaticContact CZ2-CD2 3.42Å; W197-F201 HydrophobicContact CZ2-CD2 3.42Å; W197-F201 VanDerWaalsContact CZ2-CD2 3.42Å; W197-F201 HydrophobicContact CZ2-CE2 4.32Å; W197-F201 AromaticContact CZ2-CG 3.62Å; W197-F201 HydrophobicContact CZ2-CG 3.62Å; W197-F201 HydrophobicContact CZ3-CB 4.25Å; W197-F201 WeakPolarHBondContact O-CB 3.35Å; W197-F201 PolarHBondContact O-N 2.9Å; W197-I204 HydrophobicContact CH2-CD1 4.48Å; W197-I204 HydrophobicContact CZ3-CD1 3.98Å; W197-H225 AromaticContact CD1-CD2 3.43Å; W197-H225 VanDerWaalsContact CD1-CD2 3.43Å; W197-H225 AromaticContact CD1-CG 3.99Å; W197-H225 AromaticContact CD1-NE2 3.44Å; W197-H225 AromaticContact CE2-CD2 3.86Å; W197-H225 AromaticContact CE2-CG 3.63Å; W197-H225 AromaticContact CE2-ND1 3.96Å; W197-H225 AromaticContact CG-CE1 3.99Å; W197-H225 AromaticContact CG-NE2 3.83Å; W197-H225 HydrophobicContact CZ2-CB 3.75Å; W197-H225 AromaticContact NE1-CD2 3.26Å; W197-H225 PolarHBondContact NE1-CD2 3.1Å; W197-H225 VanDerWaalsContact NE1-CD2 3.26Å; W197-H225 AromaticContact NE1-CG 3.52Å; W197-H225 AromaticContact NE1-NE2 3.77Å; W197-E229 PolarHBondContact NE1-OE2 2.73Å; W197-I230 HydrophobicContact CH2-CD1 3.98Å; W197-I230 HydrophobicContact CH2-CG1 4.27Å; W197-I230 HydrophobicContact CZ2-CD1 3.95Å; W197-I230 HydrophobicContact CZ2-CG1 3.93Å
198	S	98.5	Very high	98.3	Very high	98 Å²	98	61.9 Å²	61.9	69%	0.685	29%	0.291	S	S	*	.	H	α-helix	trans	-60.3	-22.2	176.3	62.8	0	0	0	0	114.2	H196 P202	H196-S198 PolarHBondContact O-N 2.82Å; S198-P202 WeakPolarHBondContact O-CD 3.35Å; S198-P202 WeakPolarHBondContact O-CG 3.5Å
199	F	98.6	Very high	98.3	Very high	74 Å²	74	59.6 Å²	59.6	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-89.8	-43.9	170.7	-175.8	-84.7	0	0	0	111.2	V194 H196 W197 P202 N203	V194-F199 HydrophobicContact CB-CD1 4.06Å; V194-F199 HydrophobicContact CB-CE1 3.88Å; V194-F199 HydrophobicContact CG1-CD1 4.48Å; V194-F199 HydrophobicContact CG1-CE1 3.94Å; V194-F199 HydrophobicContact CG1-CZ 4.09Å; H196-F199 WeakPolarHBondContact O-CA 3.36Å; H196-F199 WeakPolarHBondContact O-CB 3.49Å; H196-F199 PolarHBondContact O-N 2.85Å; W197-F199 PolarHBondContact O-N 2.89Å; W197-F199 VanDerWaalsContact O-N 3.11Å; F199-P202 WeakPolarHBondContact O-CD 3.14Å; F199-N203 WeakPolarHBondContact CE1-ND2 3.49Å
200	R	98.8	Very high	98.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69.6	-46.5	-173.2	-65.1	-167.9	-45.1	108.4	-7.9	113.4	I174 L175 Q177 V194 H196 W197 N203 I204 S530	I174-R200 PolarHBondContact O-NH1 3.45Å; I174-R200 VanDerWaalsContact O-NH1 3.09Å; L175-R200 VanDerWaalsContact O-CZ 3.3Å; L175-R200 PolarHBondContact O-NH1 2.87Å; L175-R200 PolarHBondContact O-NH2 3.37Å; Q177-R200 VanDerWaalsContact OE1-NE 3.1Å; V194-R200 WeakPolarHBondContact O-CG 3.12Å; H196-R200 WeakPolarHBondContact O-CG 3.26Å; H196-R200 PolarHBondContact O-N 2.65Å; W197-R200 HydrophobicContact CE3-CB 4.4Å; W197-R200 PolarHBondContact O-N 2.85Å; R200-N203 WeakPolarHBondContact O-CB 3.45Å; R200-N203 PolarHBondContact O-N 3.32Å; R200-N203 VanDerWaalsContact O-N 3.11Å; R200-I204 HydrophobicContact CB-CD1 4.22Å; R200-I204 WeakPolarHBondContact O-CG1 3.22Å; R200-I204 PolarHBondContact O-N 2.91Å; R200-S530 WeakPolarHBondContact CD-O 3.49Å; R200-S530 PolarHBondContact NH1-O 3.18Å; R200-S530 WeakPolarHBondContact O-CB 3.46Å
201	F	98.9	Very high	98.4	Very high	17 Å²	17	65.6 Å²	65.6	8%	0.075	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-45.1	-174.1	177	-114.5	0	0	0	113.8	W197 N203 I204 L205 E229 I230	W197-F201 HydrophobicContact CD2-CB 3.88Å; W197-F201 AromaticContact CE2-CG 3.94Å; W197-F201 HydrophobicContact CE3-CB 4.21Å; W197-F201 HydrophobicContact CH2-CB 3.94Å; W197-F201 AromaticContact CH2-CD2 3.72Å; W197-F201 HydrophobicContact CH2-CD2 3.72Å; W197-F201 HydrophobicContact CH2-CG 4.18Å; W197-F201 HydrophobicContact CZ2-CB 3.55Å; W197-F201 AromaticContact CZ2-CD2 3.42Å; W197-F201 HydrophobicContact CZ2-CD2 3.42Å; W197-F201 VanDerWaalsContact CZ2-CD2 3.42Å; W197-F201 HydrophobicContact CZ2-CE2 4.32Å; W197-F201 AromaticContact CZ2-CG 3.62Å; W197-F201 HydrophobicContact CZ2-CG 3.62Å; W197-F201 HydrophobicContact CZ3-CB 4.25Å; W197-F201 WeakPolarHBondContact O-CB 3.35Å; W197-F201 PolarHBondContact O-N 2.9Å; F201-N203 PolarHBondContact O-N 3.33Å; F201-I204 PolarHBondContact O-N 3.15Å; F201-L205 HydrophobicContact CE1-CD2 4.25Å; F201-L205 HydrophobicContact CE2-CB 4.26Å; F201-L205 HydrophobicContact CZ-CB 4.28Å; F201-L205 HydrophobicContact CZ-CD2 4.07Å; F201-L205 WeakPolarHBondContact O-CB 3.46Å; F201-L205 PolarHBondContact O-N 2.82Å; F201-E229 HydrophobicContact CD1-CB 4.15Å; F201-E229 HydrophobicContact CE1-CB 3.67Å; F201-E229 HydrophobicContact CZ-CB 3.93Å; F201-I230 HydrophobicContact CD2-CG1 4.13Å; F201-I230 HydrophobicContact CE2-CB 4.19Å; F201-I230 HydrophobicContact CE2-CG1 3.68Å; F201-I230 HydrophobicContact CZ-CG1 4.43Å
202	P	98.8	Very high	98.5	Very high	69 Å²	69	62 Å²	62	45%	0.448	31%	0.305	S	S	.	.	H	α-helix	trans	-55.7	-37	173.8	-28.1	35.7	0	0	0	113.7	S198 F199 K206	S198-P202 WeakPolarHBondContact O-CD 3.35Å; S198-P202 WeakPolarHBondContact O-CG 3.5Å; F199-P202 WeakPolarHBondContact O-CD 3.14Å; P202-K206 WeakPolarHBondContact O-CB 3.29Å; P202-K206 PolarHBondContact O-N 3.44Å
203	N	98.7	Very high	98.6	Very high	35 Å²	35	54.7 Å²	54.7	19%	0.187	28%	0.277	C	S	.	.	H	α-helix	trans	-71.4	-46.9	176.6	-78.1	-12.4	0	0	0	111.9	F199 R200 F201 L205 K206 E207 E527 S530	F199-N203 WeakPolarHBondContact CE1-ND2 3.49Å; R200-N203 WeakPolarHBondContact O-CB 3.45Å; R200-N203 PolarHBondContact O-N 3.32Å; R200-N203 VanDerWaalsContact O-N 3.11Å; F201-N203 PolarHBondContact O-N 3.33Å; N203-L205 VanDerWaalsContact C-N 3.34Å; N203-L205 PolarHBondContact O-N 3.41Å; N203-K206 CarbonylContact O-C 3.57Å; N203-K206 WeakPolarHBondContact O-CB 3.34Å; N203-K206 PolarHBondContact O-N 3.28Å; N203-K206 VanDerWaalsContact O-N 3.14Å; N203-E207 PolarHBondContact O-N 2.88Å; N203-E527 PolarHBondContact ND2-O 2.98Å; N203-S530 VanDerWaalsContact CB-OG 3.31Å; N203-S530 WeakPolarHBondContact CB-OG 3.37Å; N203-S530 PolarHBondContact ND2-OG 2.98Å
204	I	98.9	Very high	98.6	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.015	26%	0.26	C	S	.	.	H	α-helix	trans	-58	-48	176.7	-67.5	160.8	0	0	0	110.3	Y172 I174 W197 R200 F201 K206 E207 I208	Y172-I204 HydrophobicContact CE1-CG2 4.49Å; I174-I204 HydrophobicContact CB-CD1 4.34Å; I174-I204 HydrophobicContact CB-CG2 4.33Å; I174-I204 HydrophobicContact CG2-CG2 3.96Å; W197-I204 HydrophobicContact CH2-CD1 4.48Å; W197-I204 HydrophobicContact CZ3-CD1 3.98Å; R200-I204 HydrophobicContact CB-CD1 4.22Å; R200-I204 WeakPolarHBondContact O-CG1 3.22Å; R200-I204 PolarHBondContact O-N 2.91Å; F201-I204 PolarHBondContact O-N 3.15Å; I204-K206 VanDerWaalsContact C-N 3.31Å; I204-K206 PolarHBondContact O-N 2.91Å; I204-E207 PolarHBondContact O-N 2.84Å; I204-I208 HydrophobicContact CG2-CD1 4Å; I204-I208 WeakPolarHBondContact O-CG1 3.45Å; I204-I208 PolarHBondContact O-N 3.43Å
205	L	98.8	Very high	98.7	Very high	39 Å²	39	52 Å²	52	20%	0.204	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-38.6	177.6	-179	62.1	0	0	0	111.6	F201 N203 I208 K209 L234 L237	F201-L205 HydrophobicContact CE1-CD2 4.25Å; F201-L205 HydrophobicContact CE2-CB 4.26Å; F201-L205 HydrophobicContact CZ-CB 4.28Å; F201-L205 HydrophobicContact CZ-CD2 4.07Å; F201-L205 WeakPolarHBondContact O-CB 3.46Å; F201-L205 PolarHBondContact O-N 2.82Å; N203-L205 VanDerWaalsContact C-N 3.34Å; N203-L205 PolarHBondContact O-N 3.41Å; L205-I208 PolarHBondContact O-N 3.13Å; L205-K209 VanDerWaalsContact O-CB 3.25Å; L205-K209 WeakPolarHBondContact O-CB 3.19Å; L205-K209 PolarHBondContact O-N 3.47Å; L205-L234 HydrophobicContact CD1-CD2 4.37Å; L205-L237 HydrophobicContact CD1-CD1 4Å
206	K	98.7	Very high	98.7	Very high	151 Å²	151	51.5 Å²	51.5	66%	0.657	26%	0.256	S	S	*	.	H	α-helix	trans	-64.3	-40.6	175.1	-178.6	-177.5	177.1	-173.9	0	111.7	P202 N203 I204 H210	P202-K206 WeakPolarHBondContact O-CB 3.29Å; P202-K206 PolarHBondContact O-N 3.44Å; N203-K206 CarbonylContact O-C 3.57Å; N203-K206 WeakPolarHBondContact O-CB 3.34Å; N203-K206 PolarHBondContact O-N 3.28Å; N203-K206 VanDerWaalsContact O-N 3.14Å; I204-K206 VanDerWaalsContact C-N 3.31Å; I204-K206 PolarHBondContact O-N 2.91Å; K206-H210 WeakPolarHBondContact O-CB 3.48Å; K206-H210 PolarHBondContact O-N 3.22Å
207	E	97.8	Very high	98.7	Very high	28 Å²	28	46.5 Å²	46.5	13%	0.131	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-48.1	174.6	-75.2	-175.9	88	0	0	111.1	N203 I204 K209 H210 F211	N203-E207 PolarHBondContact O-N 2.88Å; I204-E207 PolarHBondContact O-N 2.84Å; E207-K209 PolarHBondContact O-N 3.01Å; E207-H210 WeakPolarHBondContact O-CB 3.48Å; E207-H210 PolarHBondContact O-N 3.32Å; E207-F211 WeakPolarHBondContact O-CD2 3.27Å; E207-F211 PolarHBondContact O-N 3.39Å; E207-F211 VanDerWaalsContact O-N 3.11Å
208	I	98.7	Very high	98.7	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-58.3	-48.7	176.7	-68.3	169.1	0	0	0	110.7	M170 I204 L205 H210 F211 D212 L216 L218 L234	M170-I208 HydrophobicContact SD-CG1 4.18Å; I204-I208 HydrophobicContact CG2-CD1 4Å; I204-I208 WeakPolarHBondContact O-CG1 3.45Å; I204-I208 PolarHBondContact O-N 3.43Å; L205-I208 PolarHBondContact O-N 3.13Å; I208-H210 VanDerWaalsContact C-N 3.3Å; I208-H210 PolarHBondContact O-N 2.97Å; I208-F211 PolarHBondContact O-N 2.89Å; I208-D212 PolarHBondContact O-N 3.5Å; I208-L216 HydrophobicContact CG2-CD1 3.61Å; I208-L216 HydrophobicContact CG2-CD2 4.22Å; I208-L218 HydrophobicContact CD1-CD1 4.46Å; I208-L234 HydrophobicContact CD1-CD2 4.38Å; I208-L234 HydrophobicContact CG2-CD2 3.81Å
209	K	98.7	Very high	98.7	Very high	135 Å²	135	40.9 Å²	40.9	59%	0.587	20%	0.196	S	C	*	.	H	α-helix	trans	-63.6	-35.2	178.2	-176.5	176.6	-178.3	174.7	0	112.6	L205 E207 L237	L205-K209 VanDerWaalsContact O-CB 3.25Å; L205-K209 WeakPolarHBondContact O-CB 3.19Å; L205-K209 PolarHBondContact O-N 3.47Å; E207-K209 PolarHBondContact O-N 3.01Å; K209-L237 HydrophobicContact CB-CD1 4.15Å; K209-L237 HydrophobicContact CD-CD2 4.04Å; K209-L237 HydrophobicContact CG-CD1 4.45Å; K209-L237 HydrophobicContact CG-CD2 4.11Å
210	H	98.3	Very high	98.7	Very high	145 Å²	145	38.3 Å²	38.3	67%	0.671	19%	0.185	S	C	*	.	H	α-helix	trans	-66.1	-42.8	179.8	175.6	66.9	0	0	0	111.9	K206 E207 I208	K206-H210 WeakPolarHBondContact O-CB 3.48Å; K206-H210 PolarHBondContact O-N 3.22Å; E207-H210 WeakPolarHBondContact O-CB 3.48Å; E207-H210 PolarHBondContact O-N 3.32Å; I208-H210 VanDerWaalsContact C-N 3.3Å; I208-H210 PolarHBondContact O-N 2.97Å
211	F	98.3	Very high	98.7	Very high	44 Å²	44	38.3 Å²	38.3	19%	0.193	19%	0.185	C	C	.	.	H	α-helix	trans	-82	-25.6	-179.5	-68.3	-58.6	0	0	0	113.5	M170 E207 I208 A213 L510 P535 L537	M170-F211 HydrophobicContact CE-CB 3.56Å; M170-F211 HydrophobicContact CE-CD2 3.55Å; M170-F211 HydrophobicContact CE-CG 3.9Å; E207-F211 WeakPolarHBondContact O-CD2 3.27Å; E207-F211 PolarHBondContact O-N 3.39Å; E207-F211 VanDerWaalsContact O-N 3.11Å; I208-F211 PolarHBondContact O-N 2.89Å; F211-A213 PolarHBondContact O-N 2.92Å; F211-L510 HydrophobicContact CD1-CD2 4.31Å; F211-L510 HydrophobicContact CE1-CD1 4.3Å; F211-L510 HydrophobicContact CE1-CD2 3.53Å; F211-L510 HydrophobicContact CE2-CD2 4.21Å; F211-L510 HydrophobicContact CZ-CD2 3.46Å; F211-L510 VanDerWaalsContact CZ-CD2 3.46Å; F211-P535 HydrophobicContact CE2-CG 4.31Å; F211-L537 HydrophobicContact CB-CD2 3.77Å; F211-L537 HydrophobicContact CD1-CD2 3.49Å; F211-L537 VanDerWaalsContact CD1-CD2 3.49Å; F211-L537 HydrophobicContact CE1-CD2 4.23Å; F211-L537 HydrophobicContact CG-CD2 3.7Å
212	D	98.7	Very high	98.7	Very high	84 Å²	84	37.7 Å²	37.7	45%	0.449	18%	0.183	S	C	.	.			trans	48.8	42.4	174.4	-162	40.2	0	0	0	113.6	I208 K259	I208-D212 PolarHBondContact O-N 3.5Å; D212-K259 WeakPolarHBondContact OD1-CE 3.48Å; D212-K259 IonicContact OD1-NZ 3.88Å; D212-K259 PolarHBondContact OD1-NZ 3.02Å; D212-K259 IonicContact OD2-NZ 2.98Å
213	A	98.8	Very high	98.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.186	C	C	.	.			trans	-65.5	146.1	-174.9	0	0	0	0	0	111.9	S168 M170 F211 V215 L216 Y239 L537	S168-A213 VanDerWaalsContact OG-CA 3.3Å; S168-A213 WeakPolarHBondContact OG-CA 3.32Å; M170-A213 HydrophobicContact CB-CB 3.91Å; F211-A213 PolarHBondContact O-N 2.92Å; A213-V215 VanDerWaalsContact C-N 3.31Å; A213-V215 PolarHBondContact O-N 3.16Å; A213-L216 HydrophobicContact CB-CD2 3.88Å; A213-Y239 PolarHBondContact N-OH 3.17Å; A213-Y239 WeakPolarHBondContact O-CE1 3.39Å; A213-Y239 VanDerWaalsContact O-CZ 3.22Å; A213-Y239 PolarHBondContact O-OH 3.36Å; A213-L537 HydrophobicContact CB-CD1 3.63Å
214	D	98.9	Very high	98.7	Very high	29 Å²	29	42.2 Å²	42.2	16%	0.155	20%	0.2	C	C	.	.	S	Bend	trans	-70.6	-29.3	-177.3	-58.4	-79.4	0	0	0	112.8	F167 S168 F258 K259 K262 F263	F167-D214 VanDerWaalsContact CA-OD2 3.31Å; F167-D214 WeakPolarHBondContact CA-OD2 3.42Å; F167-D214 HydrophobicContact CB-CB 4.15Å; S168-D214 PolarHBondContact N-OD2 3.06Å; S168-D214 PolarHBondContact O-N 2.81Å; S168-D214 VanDerWaalsContact O-N 3.11Å; S168-D214 PolarHBondContact OG-N 3.4Å; S168-D214 PolarHBondContact OG-OD2 3.39Å; D214-F258 CarbonylContact O-C 3.6Å; D214-F258 VanDerWaalsContact O-CA 3.29Å; D214-F258 WeakPolarHBondContact O-CA 3.48Å; D214-K259 PolarHBondContact O-N 2.91Å; D214-K262 WeakPolarHBondContact OD1-CE 3.49Å; D214-K262 WeakPolarHBondContact OD1-CG 3.36Å; D214-F263 HydrophobicContact CB-CE2 4.1Å
215	V	98.9	Very high	98.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	134.8	176.7	-176.9	0	0	0	0	109.8	F167 S168 V169 M170 A213 I256 C257 F258 F263 V306	F167-V215 HydrophobicContact CD2-CG2 4.45Å; S168-V215 PolarHBondContact O-N 2.81Å; V169-V215 CarbonylContact C-O 3.5Å; V169-V215 WeakPolarHBondContact CA-O 3.44Å; V169-V215 HydrophobicContact CG1-CB 4.41Å; V169-V215 HydrophobicContact CG1-CG1 4.47Å; V169-V215 HydrophobicContact CG2-CB 4.22Å; M170-V215 PolarHBondContact N-O 2.92Å; A213-V215 VanDerWaalsContact C-N 3.31Å; A213-V215 PolarHBondContact O-N 3.16Å; V215-I256 HydrophobicContact CG1-CG2 4.3Å; V215-C257 CarbonylContact C-O 3.54Å; V215-C257 WeakPolarHBondContact CA-O 3.27Å; V215-F258 HydrophobicContact CG2-CB 4.21Å; V215-F263 HydrophobicContact CG2-CD2 4.34Å; V215-F263 HydrophobicContact CG2-CE2 3.72Å; V215-F263 HydrophobicContact CG2-CZ 4.12Å; V215-V306 HydrophobicContact CG1-CG1 3.94Å; V215-V306 HydrophobicContact CG1-CG2 4.43Å
216	L	99	Very high	98.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.8	176.3	-49.8	176.5	0	0	0	109.3	M170 I208 A213 L218 L234 Y239 I256 C257	M170-L216 HydrophobicContact CB-CD2 3.77Å; M170-L216 HydrophobicContact CG-CD2 4.44Å; M170-L216 HydrophobicContact SD-CD2 4.05Å; I208-L216 HydrophobicContact CG2-CD1 3.61Å; I208-L216 HydrophobicContact CG2-CD2 4.22Å; A213-L216 HydrophobicContact CB-CD2 3.88Å; L216-L218 HydrophobicContact CB-CD2 4.4Å; L216-L218 HydrophobicContact CB-CG 4.36Å; L216-L234 HydrophobicContact CD1-CD1 4.25Å; L216-L234 HydrophobicContact CD1-CD2 3.94Å; L216-Y239 HydrophobicContact CD1-CD1 4.17Å; L216-Y239 HydrophobicContact CD1-CD2 4.43Å; L216-Y239 HydrophobicContact CD1-CE1 3.82Å; L216-Y239 HydrophobicContact CD1-CE2 4.08Å; L216-Y239 HydrophobicContact CD1-CG 4.47Å; L216-Y239 HydrophobicContact CD2-CE1 4.4Å; L216-Y239 HydrophobicContact CG-CD1 4.3Å; L216-Y239 HydrophobicContact CG-CE1 3.73Å; L216-I256 CarbonylContact O-C 3.52Å; L216-I256 VanDerWaalsContact O-CA 3.29Å; L216-I256 WeakPolarHBondContact O-CA 3.42Å; L216-C257 HydrophobicContact CB-CB 4.11Å; L216-C257 HydrophobicContact CD1-CB 4.26Å; L216-C257 HydrophobicContact CG-CB 4.44Å; L216-C257 PolarHBondContact N-O 3.12Å; L216-C257 PolarHBondContact O-N 3.19Å
217	C	98.9	Very high	98.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	101.5	170.8	-71.6	0	0	0	0	108.3	M170 S171 Y172 Q219 N308 C349	M170-C217 PolarHBondContact O-N 2.95Å; S171-C217 CarbonylContact C-O 3.57Å; S171-C217 VanDerWaalsContact CA-O 3.28Å; S171-C217 WeakPolarHBondContact CA-O 3.37Å; Y172-C217 PolarHBondContact N-O 3.03Å; C217-Q219 PolarHBondContact O-NE2 3.36Å; C217-N308 HydrophobicContact CB-CB 4.05Å; C217-C349 HydrophobicContact CB-CB 3.4Å; C217-C349 VanDerWaalsContact CB-CB 3.4Å
218	L	98.9	Very high	98.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.3	-174.9	-54	-179.8	0	0	0	111.2	Y172 I174 I208 L216 V221 L234 C254 A255 N308	Y172-L218 VanDerWaalsContact O-CA 3.28Å; Y172-L218 WeakPolarHBondContact O-CA 3.41Å; I174-L218 HydrophobicContact CG2-CD2 4.2Å; I208-L218 HydrophobicContact CD1-CD1 4.46Å; L216-L218 HydrophobicContact CB-CD2 4.4Å; L216-L218 HydrophobicContact CB-CG 4.36Å; L218-V221 HydrophobicContact CB-CG2 3.45Å; L218-V221 VanDerWaalsContact CB-CG2 3.45Å; L218-V221 HydrophobicContact CD1-CG2 4.34Å; L218-L234 HydrophobicContact CD1-CD1 4.24Å; L218-C254 VanDerWaalsContact O-CA 3.3Å; L218-C254 WeakPolarHBondContact O-CA 3.19Å; L218-A255 HydrophobicContact CB-CB 4.35Å; L218-A255 PolarHBondContact N-O 3.29Å; L218-A255 PolarHBondContact O-N 2.95Å; L218-N308 PolarHBondContact N-ND2 2.78Å; L218-N308 PolarHBondContact O-ND2 2.85Å
219	Q	98.9	Very high	98.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	160.8	173	-52.1	78.5	38.8	0	0	110.3	S171 Y172 N173 I174 C217 V221 N308 T309 H310 D351	S171-Q219 PolarHBondContact OG-NE2 2.87Å; Y172-Q219 PolarHBondContact O-N 3.28Å; Y172-Q219 PolarHBondContact O-OE1 3.22Å; N173-Q219 HydrophobicContact CB-CB 4.12Å; I174-Q219 WeakPolarHBondContact CG1-O 3.45Å; I174-Q219 PolarHBondContact N-O 3.18Å; C217-Q219 PolarHBondContact O-NE2 3.36Å; Q219-V221 PolarHBondContact O-N 3.37Å; Q219-N308 PolarHBondContact NE2-OD1 3.39Å; Q219-T309 WeakPolarHBondContact CG-O 3.22Å; Q219-H310 HydrophobicContact CB-CB 4.16Å; Q219-H310 HydrophobicContact CG-CB 4.13Å; Q219-D351 HydrophobicContact CG-CB 4.48Å
220	E	98.9	Very high	98.8	Very high	20 Å²	20	36.6 Å²	36.6	9%	0.093	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55	35.2	-173.9	-60.1	-167.7	-156.1	0	0	113.9	N173 L175 S176 L179 Q222 G253 H310	N173-E220 PolarHBondContact ND2-OE1 2.96Å; N173-E220 VanDerWaalsContact OD1-CB 3.31Å; N173-E220 WeakPolarHBondContact OD1-CB 3.19Å; N173-E220 WeakPolarHBondContact OD1-CG 3.19Å; N173-E220 PolarHBondContact OD1-OE1 3.15Å; L175-E220 WeakPolarHBondContact CA-OE2 3.18Å; S176-E220 WeakPolarHBondContact CA-O 3.36Å; S176-E220 WeakPolarHBondContact CB-O 3.39Å; S176-E220 PolarHBondContact N-O 2.95Å; S176-E220 PolarHBondContact N-OE2 3.22Å; L179-E220 HydrophobicContact CD1-CG 4.14Å; E220-Q222 PolarHBondContact O-N 3.29Å; E220-G253 PolarHBondContact N-O 2.87Å; E220-H310 IonicContact OE1-CE1 3.59Å; E220-H310 PolarHBondContact OE1-CE1 3.35Å
221	V	98.9	Very high	98.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	105.3	174.9	176.8	0	0	0	0	108.3	I174 L218 Q219 Y226 I230 Y243 D252 G253 A255	I174-V221 HydrophobicContact CD1-CG2 3.9Å; I174-V221 HydrophobicContact CG1-CG2 4.25Å; L218-V221 HydrophobicContact CB-CG2 3.45Å; L218-V221 VanDerWaalsContact CB-CG2 3.45Å; L218-V221 HydrophobicContact CD1-CG2 4.34Å; Q219-V221 PolarHBondContact O-N 3.37Å; V221-Y226 HydrophobicContact CG1-CD2 3.57Å; V221-Y226 HydrophobicContact CG1-CG 4Å; V221-I230 HydrophobicContact CG1-CD1 4.03Å; V221-Y243 HydrophobicContact CB-CD2 4.41Å; V221-Y243 HydrophobicContact CB-CE2 3.86Å; V221-Y243 HydrophobicContact CG1-CD2 4.14Å; V221-Y243 HydrophobicContact CG1-CE2 3.8Å; V221-Y243 WeakPolarHBondContact O-CE2 3.21Å; V221-Y243 PolarHBondContact O-OH 3.39Å; V221-D252 CarbonylContact O-C 3.53Å; V221-D252 WeakPolarHBondContact O-CA 3.35Å; V221-G253 PolarHBondContact N-O 3.21Å; V221-G253 PolarHBondContact O-N 3.31Å; V221-A255 HydrophobicContact CG2-CB 4.19Å
222	Q	98.9	Very high	98.8	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.019	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.7	179.2	-159.7	174.4	-55.3	0	0	111.5	S176 Q177 D178 E220 D224 H225 Y226 P251	S176-Q222 PolarHBondContact OG-OE1 2.92Å; Q177-Q222 VanDerWaalsContact N-OE1 3.1Å; D178-Q222 PolarHBondContact OD1-NE2 3.02Å; D178-Q222 PolarHBondContact OD1-OE1 3.09Å; E220-Q222 PolarHBondContact O-N 3.29Å; Q222-D224 WeakPolarHBondContact CG-OD1 3.31Å; Q222-D224 PolarHBondContact NE2-OD1 2.83Å; Q222-D224 PolarHBondContact NE2-OD2 2.92Å; Q222-H225 HydrophobicContact CB-CB 4.3Å; Q222-H225 PolarHBondContact NE2-CE1 3.2Å; Q222-H225 PolarHBondContact NE2-ND1 2.71Å; Q222-Y226 WeakPolarHBondContact O-CB 3.5Å; Q222-Y226 PolarHBondContact O-N 2.88Å; Q222-P251 CarbonylContact C-O 3.56Å; Q222-P251 WeakPolarHBondContact CA-O 3.34Å; Q222-P251 HydrophobicContact CG-CB 4.13Å; Q222-P251 WeakPolarHBondContact CG-O 3.22Å
223	E	98.8	Very high	98.8	Very high	109 Å²	109	32.7 Å²	32.7	51%	0.509	19%	0.186	S	C	.	.	H	α-helix	trans	-61.3	-47.5	-170.2	-177.7	-175.2	-137.8	0	0	113.5	Y226 G227 Y243 M245 P251	E223-Y226 WeakPolarHBondContact O-CB 3.42Å; E223-Y226 PolarHBondContact O-N 3.44Å; E223-G227 PolarHBondContact O-N 3.17Å; E223-Y243 HydrophobicContact CB-CE1 4.42Å; E223-Y243 HydrophobicContact CG-CE1 4.42Å; E223-M245 HydrophobicContact CB-SD 3.73Å; E223-M245 HydrophobicContact CG-SD 3.97Å; E223-P251 PolarHBondContact N-O 3.39Å
224	D	98.5	Very high	98.8	Very high	90 Å²	90	32.8 Å²	32.8	48%	0.481	19%	0.186	S	C	.	.	H	α-helix	trans	-67.3	-47.1	-178.7	57.1	-9.3	0	0	0	111.8	Q222 Y226 G227 A228	Q222-D224 WeakPolarHBondContact CG-OD1 3.31Å; Q222-D224 PolarHBondContact NE2-OD1 2.83Å; Q222-D224 PolarHBondContact NE2-OD2 2.92Å; D224-Y226 PolarHBondContact O-N 3.1Å; D224-G227 PolarHBondContact O-N 2.86Å; D224-A228 VanDerWaalsContact O-CB 3.32Å; D224-A228 WeakPolarHBondContact O-CB 3.22Å; D224-A228 PolarHBondContact O-N 2.91Å
225	H	98.8	Very high	98.8	Very high	28 Å²	28	35.3 Å²	35.3	13%	0.13	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-34.2	172.7	-62.3	137.4	0	0	0	111.8	W197 Q222 E229 I230	W197-H225 AromaticContact CD1-CD2 3.43Å; W197-H225 VanDerWaalsContact CD1-CD2 3.43Å; W197-H225 AromaticContact CD1-CG 3.99Å; W197-H225 AromaticContact CD1-NE2 3.44Å; W197-H225 AromaticContact CE2-CD2 3.86Å; W197-H225 AromaticContact CE2-CG 3.63Å; W197-H225 AromaticContact CE2-ND1 3.96Å; W197-H225 AromaticContact CG-CE1 3.99Å; W197-H225 AromaticContact CG-NE2 3.83Å; W197-H225 HydrophobicContact CZ2-CB 3.75Å; W197-H225 AromaticContact NE1-CD2 3.26Å; W197-H225 PolarHBondContact NE1-CD2 3.1Å; W197-H225 VanDerWaalsContact NE1-CD2 3.26Å; W197-H225 AromaticContact NE1-CG 3.52Å; W197-H225 AromaticContact NE1-NE2 3.77Å; Q222-H225 HydrophobicContact CB-CB 4.3Å; Q222-H225 PolarHBondContact NE2-CE1 3.2Å; Q222-H225 PolarHBondContact NE2-ND1 2.71Å; H225-E229 IonicContact CD2-OE2 3.07Å; H225-E229 PolarHBondContact O-N 2.75Å; H225-I230 HydrophobicContact CB-CD1 4.05Å; H225-I230 HydrophobicContact CB-CG1 4.49Å; H225-I230 WeakPolarHBondContact O-CG1 3.14Å; H225-I230 PolarHBondContact O-N 2.84Å
226	Y	98.8	Very high	98.8	Very high	17 Å²	17	39.9 Å²	39.9	7%	0.067	23%	0.229	C	C	.	.	I	π-helix	trans	-62.3	-50.5	175.4	178.4	-101.8	0	0	0	112	V221 Q222 E223 D224 I230 R231 C241 Y243 A255	V221-Y226 HydrophobicContact CG1-CD2 3.57Å; V221-Y226 HydrophobicContact CG1-CG 4Å; Q222-Y226 WeakPolarHBondContact O-CB 3.5Å; Q222-Y226 PolarHBondContact O-N 2.88Å; E223-Y226 WeakPolarHBondContact O-CB 3.42Å; E223-Y226 PolarHBondContact O-N 3.44Å; D224-Y226 PolarHBondContact O-N 3.1Å; Y226-I230 HydrophobicContact CD2-CB 4.39Å; Y226-I230 HydrophobicContact CD2-CG2 4.49Å; Y226-R231 HydrophobicContact CD1-CB 4.32Å; Y226-R231 HydrophobicContact CD2-CB 4.05Å; Y226-R231 HydrophobicContact CE1-CB 4Å; Y226-R231 HydrophobicContact CE1-CG 4.33Å; Y226-R231 HydrophobicContact CE2-CB 3.73Å; Y226-R231 HydrophobicContact CE2-CG 4.34Å; Y226-R231 HydrophobicContact CG-CB 4.35Å; Y226-R231 WeakPolarHBondContact O-CB 3.34Å; Y226-R231 PolarHBondContact O-N 2.84Å; Y226-C241 HydrophobicContact CE2-CB 4.47Å; Y226-C241 WeakPolarHBondContact OH-CB 3.2Å; Y226-C241 PolarHBondContact OH-O 3.29Å; Y226-Y243 HydrophobicContact CD1-CD1 4.02Å; Y226-Y243 HydrophobicContact CD1-CG 4.06Å; Y226-Y243 HydrophobicContact CE1-CD1 4.14Å; Y226-Y243 AromaticContact CE1-CG 3.93Å; Y226-Y243 HydrophobicContact CE1-CG 3.93Å; Y226-Y243 HydrophobicContact CE2-CG 4.45Å; Y226-Y243 HydrophobicContact CG-CG 4.39Å; Y226-A255 HydrophobicContact CE2-CB 4.36Å
227	G	98.6	Very high	98.8	Very high	50 Å²	50	41.6 Å²	41.6	52%	0.515	24%	0.238	S	C	.	.	I	π-helix	trans	-66.9	-39.2	179.2	0	0	0	0	0	113.4	E223 D224	E223-G227 PolarHBondContact O-N 3.17Å; D224-G227 PolarHBondContact O-N 2.86Å
228	A	98.6	Very high	98.8	Very high	71 Å²	71	42.4 Å²	42.4	59%	0.587	25%	0.246	S	C	*	.	I	π-helix	trans	-82.3	-40.8	-173.7	0	0	0	0	0	113.7	D224	D224-A228 VanDerWaalsContact O-CB 3.32Å; D224-A228 WeakPolarHBondContact O-CB 3.22Å; D224-A228 PolarHBondContact O-N 2.91Å
229	E	98.5	Very high	98.8	Very high	71 Å²	71	42.5 Å²	42.5	33%	0.332	25%	0.247	S	C	.	.	I	π-helix	trans	-131.7	-49.9	-164.3	-65.2	177.6	101	0	0	113.4	W197 F201 H225 S233	W197-E229 PolarHBondContact NE1-OE2 2.73Å; F201-E229 HydrophobicContact CD1-CB 4.15Å; F201-E229 HydrophobicContact CE1-CB 3.67Å; F201-E229 HydrophobicContact CZ-CB 3.93Å; H225-E229 IonicContact CD2-OE2 3.07Å; H225-E229 PolarHBondContact O-N 2.75Å; E229-S233 WeakPolarHBondContact O-CB 3.33Å; E229-S233 PolarHBondContact O-N 2.96Å; E229-S233 VanDerWaalsContact O-N 3.13Å; E229-S233 PolarHBondContact O-OG 2.83Å
230	I	98.9	Very high	98.8	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	26%	0.26	C	S	.	.	I	π-helix	trans	-68.7	-55.7	-170.6	-52	165.7	0	0	0	110.4	I174 W197 F201 V221 H225 Y226 S233 L234	I174-I230 HydrophobicContact CD1-CD1 4Å; W197-I230 HydrophobicContact CH2-CD1 3.98Å; W197-I230 HydrophobicContact CH2-CG1 4.27Å; W197-I230 HydrophobicContact CZ2-CD1 3.95Å; W197-I230 HydrophobicContact CZ2-CG1 3.93Å; F201-I230 HydrophobicContact CD2-CG1 4.13Å; F201-I230 HydrophobicContact CE2-CB 4.19Å; F201-I230 HydrophobicContact CE2-CG1 3.68Å; F201-I230 HydrophobicContact CZ-CG1 4.43Å; V221-I230 HydrophobicContact CG1-CD1 4.03Å; H225-I230 HydrophobicContact CB-CD1 4.05Å; H225-I230 HydrophobicContact CB-CG1 4.49Å; H225-I230 WeakPolarHBondContact O-CG1 3.14Å; H225-I230 PolarHBondContact O-N 2.84Å; Y226-I230 HydrophobicContact CD2-CB 4.39Å; Y226-I230 HydrophobicContact CD2-CG2 4.49Å; I230-S233 PolarHBondContact O-N 2.84Å; I230-L234 HydrophobicContact CG2-CD1 3.95Å; I230-L234 HydrophobicContact CG2-CG 4.37Å; I230-L234 WeakPolarHBondContact O-CG 3.21Å; I230-L234 PolarHBondContact O-N 2.96Å
231	R	98.8	Very high	98.8	Very high	102 Å²	102	44.6 Å²	44.6	39%	0.385	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-50.4	-177.4	-179.7	-176.2	172.5	-165.8	-2.3	112.1	Y226 S233 L234 E235 C241	Y226-R231 HydrophobicContact CD1-CB 4.32Å; Y226-R231 HydrophobicContact CD2-CB 4.05Å; Y226-R231 HydrophobicContact CE1-CB 4Å; Y226-R231 HydrophobicContact CE1-CG 4.33Å; Y226-R231 HydrophobicContact CE2-CB 3.73Å; Y226-R231 HydrophobicContact CE2-CG 4.34Å; Y226-R231 HydrophobicContact CG-CB 4.35Å; Y226-R231 WeakPolarHBondContact O-CB 3.34Å; Y226-R231 PolarHBondContact O-N 2.84Å; R231-S233 VanDerWaalsContact C-N 3.25Å; R231-S233 PolarHBondContact O-N 3.08Å; R231-L234 PolarHBondContact O-N 3.49Å; R231-E235 HydrophobicContact CG-CG 4.23Å; R231-E235 IonicContact CZ-OE1 2.61Å; R231-E235 VanDerWaalsContact CZ-OE1 3.24Å; R231-E235 IonicContact NE-OE1 2.73Å; R231-E235 PolarHBondContact NE-OE1 3.26Å; R231-E235 IonicContact NH2-OE1 3.05Å; R231-E235 PolarHBondContact NH2-OE1 2.85Å; R231-E235 WeakPolarHBondContact O-CG 3.29Å; R231-E235 PolarHBondContact O-N 2.87Å; R231-C241 HydrophobicContact CG-CB 4.11Å
232	P	98.8	Very high	98.8	Very high	63 Å²	63	46.9 Å²	46.9	41%	0.409	27%	0.267	S	S	.	.	H	α-helix	trans	-58.4	-38.1	177.8	-24.7	35.5	0	0	0	112.8	S236	P232-S236 WeakPolarHBondContact O-CB 3.25Å; P232-S236 PolarHBondContact O-N 2.9Å
233	S	98.9	Very high	98.8	Very high	26 Å²	26	49 Å²	49	18%	0.182	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-43.5	177.4	-61.4	0	0	0	0	111.9	E229 I230 R231 S236 L237	E229-S233 WeakPolarHBondContact O-CB 3.33Å; E229-S233 PolarHBondContact O-N 2.96Å; E229-S233 VanDerWaalsContact O-N 3.13Å; E229-S233 PolarHBondContact O-OG 2.83Å; I230-S233 PolarHBondContact O-N 2.84Å; R231-S233 VanDerWaalsContact C-N 3.25Å; R231-S233 PolarHBondContact O-N 3.08Å; S233-S236 PolarHBondContact O-N 2.87Å; S233-S236 PolarHBondContact O-OG 2.84Å; S233-L237 WeakPolarHBondContact O-CG 3.17Å; S233-L237 PolarHBondContact O-N 2.85Å
234	L	98.9	Very high	98.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-69.8	-39.9	177.7	-65.1	-179	0	0	0	112.2	L205 I208 L216 L218 I230 R231 S236 L237 G238 Y239 C257	L205-L234 HydrophobicContact CD1-CD2 4.37Å; I208-L234 HydrophobicContact CD1-CD2 4.38Å; I208-L234 HydrophobicContact CG2-CD2 3.81Å; L216-L234 HydrophobicContact CD1-CD1 4.25Å; L216-L234 HydrophobicContact CD1-CD2 3.94Å; L218-L234 HydrophobicContact CD1-CD1 4.24Å; I230-L234 HydrophobicContact CG2-CD1 3.95Å; I230-L234 HydrophobicContact CG2-CG 4.37Å; I230-L234 WeakPolarHBondContact O-CG 3.21Å; I230-L234 PolarHBondContact O-N 2.96Å; R231-L234 PolarHBondContact O-N 3.49Å; L234-S236 VanDerWaalsContact C-N 3.26Å; L234-S236 PolarHBondContact O-N 2.86Å; L234-L237 HydrophobicContact CD2-CD1 4.46Å; L234-L237 CarbonylContact O-C 3.55Å; L234-L237 WeakPolarHBondContact O-CA 3.24Å; L234-L237 WeakPolarHBondContact O-CB 3.26Å; L234-L237 PolarHBondContact O-N 2.75Å; L234-G238 PolarHBondContact O-N 3.41Å; L234-Y239 HydrophobicContact CB-CD2 4.29Å; L234-Y239 HydrophobicContact CD2-CD2 4.42Å; L234-Y239 WeakPolarHBondContact O-CD2 3.46Å; L234-Y239 PolarHBondContact O-N 3.48Å; L234-Y239 VanDerWaalsContact O-N 3.15Å; L234-C257 HydrophobicContact CD1-CB 4.47Å
235	E	98.7	Very high	98.8	Very high	82 Å²	82	43.8 Å²	43.8	38%	0.383	25%	0.248	S	C	.	.	H	α-helix	trans	-60.4	-38.2	173.9	-72.9	-172.2	173.2	0	0	111.3	R231 L237 G238 Y239	R231-E235 HydrophobicContact CG-CG 4.23Å; R231-E235 IonicContact CZ-OE1 2.61Å; R231-E235 VanDerWaalsContact CZ-OE1 3.24Å; R231-E235 IonicContact NE-OE1 2.73Å; R231-E235 PolarHBondContact NE-OE1 3.26Å; R231-E235 IonicContact NH2-OE1 3.05Å; R231-E235 PolarHBondContact NH2-OE1 2.85Å; R231-E235 WeakPolarHBondContact O-CG 3.29Å; R231-E235 PolarHBondContact O-N 2.87Å; E235-L237 PolarHBondContact O-N 3.15Å; E235-G238 PolarHBondContact O-N 2.78Å; E235-Y239 WeakPolarHBondContact CA-O 3.45Å
236	S	98.7	Very high	98.8	Very high	96 Å²	96	44 Å²	44	67%	0.671	25%	0.248	S	C	*	.	H	α-helix	trans	-63.8	-22.1	173.5	84.1	0	0	0	0	114	P232 S233 L234 G238	P232-S236 WeakPolarHBondContact O-CB 3.25Å; P232-S236 PolarHBondContact O-N 2.9Å; S233-S236 PolarHBondContact O-N 2.87Å; S233-S236 PolarHBondContact O-OG 2.84Å; L234-S236 VanDerWaalsContact C-N 3.26Å; L234-S236 PolarHBondContact O-N 2.86Å; S236-G238 VanDerWaalsContact C-N 3.33Å
237	L	98.8	Very high	98.7	Very high	36 Å²	36	44.1 Å²	44.1	19%	0.188	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	5.7	174	-62.7	175.8	0	0	0	112.7	L205 K209 S233 L234 E235 Y239 K259	L205-L237 HydrophobicContact CD1-CD1 4Å; K209-L237 HydrophobicContact CB-CD1 4.15Å; K209-L237 HydrophobicContact CD-CD2 4.04Å; K209-L237 HydrophobicContact CG-CD1 4.45Å; K209-L237 HydrophobicContact CG-CD2 4.11Å; S233-L237 WeakPolarHBondContact O-CG 3.17Å; S233-L237 PolarHBondContact O-N 2.85Å; L234-L237 HydrophobicContact CD2-CD1 4.46Å; L234-L237 CarbonylContact O-C 3.55Å; L234-L237 WeakPolarHBondContact O-CA 3.24Å; L234-L237 WeakPolarHBondContact O-CB 3.26Å; L234-L237 PolarHBondContact O-N 2.75Å; E235-L237 PolarHBondContact O-N 3.15Å; L237-Y239 HydrophobicContact CB-CD2 3.9Å; L237-Y239 HydrophobicContact CB-CE2 3.97Å; L237-K259 PolarHBondContact O-NZ 2.91Å
238	G	98.8	Very high	98.6	Very high	17 Å²	17	44.8 Å²	44.8	18%	0.175	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	20.3	177	0	0	0	0	0	114.8	L234 E235 S236 K259 H260	L234-G238 PolarHBondContact O-N 3.41Å; E235-G238 PolarHBondContact O-N 2.78Å; S236-G238 VanDerWaalsContact C-N 3.33Å; G238-K259 WeakPolarHBondContact O-CA 3.36Å; G238-H260 VanDerWaalsContact C-CD2 3.44Å; G238-H260 WeakPolarHBondContact CA-NE2 3.19Å; G238-H260 PolarHBondContact O-CD2 3Å; G238-H260 PolarHBondContact O-N 3.4Å; G238-H260 VanDerWaalsContact O-N 3.1Å; G238-H260 PolarHBondContact O-NE2 2.66Å
239	Y	98.9	Very high	98.5	Very high	4 Å²	4	53 Å²	53	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	143.5	172.2	-66.3	-86.6	0	0	0	111.5	A213 L216 L234 E235 L237 C257 F258 K259	A213-Y239 PolarHBondContact N-OH 3.17Å; A213-Y239 WeakPolarHBondContact O-CE1 3.39Å; A213-Y239 VanDerWaalsContact O-CZ 3.22Å; A213-Y239 PolarHBondContact O-OH 3.36Å; L216-Y239 HydrophobicContact CD1-CD1 4.17Å; L216-Y239 HydrophobicContact CD1-CD2 4.43Å; L216-Y239 HydrophobicContact CD1-CE1 3.82Å; L216-Y239 HydrophobicContact CD1-CE2 4.08Å; L216-Y239 HydrophobicContact CD1-CG 4.47Å; L216-Y239 HydrophobicContact CD2-CE1 4.4Å; L216-Y239 HydrophobicContact CG-CD1 4.3Å; L216-Y239 HydrophobicContact CG-CE1 3.73Å; L234-Y239 HydrophobicContact CB-CD2 4.29Å; L234-Y239 HydrophobicContact CD2-CD2 4.42Å; L234-Y239 WeakPolarHBondContact O-CD2 3.46Å; L234-Y239 PolarHBondContact O-N 3.48Å; L234-Y239 VanDerWaalsContact O-N 3.15Å; E235-Y239 WeakPolarHBondContact CA-O 3.45Å; L237-Y239 HydrophobicContact CB-CD2 3.9Å; L237-Y239 HydrophobicContact CB-CE2 3.97Å; Y239-C257 HydrophobicContact CD1-CB 4.09Å; Y239-C257 HydrophobicContact CG-CB 4.33Å; Y239-F258 CarbonylContact C-O 3.51Å; Y239-F258 VanDerWaalsContact CA-O 3.31Å; Y239-F258 WeakPolarHBondContact CA-O 3.41Å; Y239-K259 HydrophobicContact CD1-CD 4.23Å; Y239-K259 HydrophobicContact CD1-CG 4.23Å; Y239-K259 HydrophobicContact CD2-CD 4.46Å; Y239-K259 HydrophobicContact CE1-CD 3.95Å; Y239-K259 HydrophobicContact CE1-CG 3.84Å; Y239-K259 HydrophobicContact CE2-CD 4.22Å; Y239-K259 HydrophobicContact CG-CD 4.47Å; Y239-K259 VanDerWaalsContact CZ-CE 3.4Å; Y239-K259 WeakPolarHBondContact OH-CE 3.42Å
240	H	98.9	Very high	98.5	Very high	61 Å²	61	53.2 Å²	53.2	28%	0.282	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.6	154.2	179.6	90.3	0	0	0	107.9	E242 C257 F258	H240-E242 IonicContact CD2-OE1 3.5Å; H240-E242 IonicContact CE1-OE1 3.91Å; H240-E242 IonicContact NE2-OE1 3.55Å; H240-E242 PolarHBondContact NE2-OE1 3.49Å; H240-C257 CarbonylContact O-C 3.53Å; H240-C257 WeakPolarHBondContact O-CA 3.45Å; H240-F258 HydrophobicContact CB-CD2 4.38Å; H240-F258 HydrophobicContact CB-CE1 3.97Å; H240-F258 HydrophobicContact CB-CE2 3.81Å; H240-F258 HydrophobicContact CB-CZ 3.54Å; H240-F258 AromaticContact CD2-CE1 3.41Å; H240-F258 VanDerWaalsContact CD2-CE1 3.41Å; H240-F258 WeakPolarHBondContact CD2-CE1 3.36Å; H240-F258 AromaticContact CD2-CZ 3.49Å; H240-F258 VanDerWaalsContact CD2-CZ 3.49Å; H240-F258 WeakPolarHBondContact CD2-CZ 3.33Å; H240-F258 AromaticContact CG-CE1 3.96Å; H240-F258 AromaticContact CG-CZ 3.63Å; H240-F258 PolarHBondContact N-O 3.19Å; H240-F258 PolarHBondContact O-N 3.15Å
241	C	98.9	Very high	98.4	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.02	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.4	-172.8	-57.5	0	0	0	0	111.3	Y226 R231 C257	Y226-C241 HydrophobicContact CE2-CB 4.47Å; Y226-C241 WeakPolarHBondContact OH-CB 3.2Å; Y226-C241 PolarHBondContact OH-O 3.29Å; R231-C241 HydrophobicContact CG-CB 4.11Å; C241-C257 HydrophobicContact CB-CB 4.36Å; C241-C257 PolarHBondContact SG-SG 3.45Å
242	E	98.9	Very high	98.4	Very high	48 Å²	48	49.6 Å²	49.6	22%	0.224	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	140.7	170.1	-67.4	-62.6	161.1	0	0	110.1	H240 A255 I256 L265 V268 L288 L290	H240-E242 IonicContact CD2-OE1 3.5Å; H240-E242 IonicContact CE1-OE1 3.91Å; H240-E242 IonicContact NE2-OE1 3.55Å; H240-E242 PolarHBondContact NE2-OE1 3.49Å; E242-A255 CarbonylContact O-C 2.96Å; E242-A255 WeakPolarHBondContact O-CA 3.49Å; E242-I256 PolarHBondContact N-O 3.03Å; E242-I256 PolarHBondContact O-N 3.5Å; E242-L265 HydrophobicContact CG-CD2 4.21Å; E242-V268 HydrophobicContact CB-CG1 4.48Å; E242-V268 HydrophobicContact CG-CG1 4.39Å; E242-V268 HydrophobicContact CG-CG2 3.9Å; E242-L288 HydrophobicContact CB-CD2 4.1Å; E242-L290 HydrophobicContact CB-CD1 4.15Å; E242-L290 HydrophobicContact CB-CD2 4.11Å; E242-L290 HydrophobicContact CG-CD1 4.1Å; E242-L290 HydrophobicContact CG-CD2 4.13Å
243	Y	98.9	Very high	98.4	Very high	47 Å²	47	46.7 Å²	46.7	18%	0.184	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.9	-173.5	176.8	-114.5	0	0	0	111.9	V221 E223 Y226 M245 G253 C254 A255	V221-Y243 HydrophobicContact CB-CD2 4.41Å; V221-Y243 HydrophobicContact CB-CE2 3.86Å; V221-Y243 HydrophobicContact CG1-CD2 4.14Å; V221-Y243 HydrophobicContact CG1-CE2 3.8Å; V221-Y243 WeakPolarHBondContact O-CE2 3.21Å; V221-Y243 PolarHBondContact O-OH 3.39Å; E223-Y243 HydrophobicContact CB-CE1 4.42Å; E223-Y243 HydrophobicContact CG-CE1 4.42Å; Y226-Y243 HydrophobicContact CD1-CD1 4.02Å; Y226-Y243 HydrophobicContact CD1-CG 4.06Å; Y226-Y243 HydrophobicContact CE1-CD1 4.14Å; Y226-Y243 AromaticContact CE1-CG 3.93Å; Y226-Y243 HydrophobicContact CE1-CG 3.93Å; Y226-Y243 HydrophobicContact CE2-CG 4.45Å; Y226-Y243 HydrophobicContact CG-CG 4.39Å; Y243-M245 HydrophobicContact CE1-CB 3.71Å; Y243-M245 HydrophobicContact CE1-CG 4.33Å; Y243-G253 PolarHBondContact OH-N 2.81Å; Y243-C254 VanDerWaalsContact CD2-O 3.22Å; Y243-C254 WeakPolarHBondContact CD2-O 3.38Å; Y243-A255 HydrophobicContact CD2-CB 4.14Å
244	K	98.8	Very high	98.4	Very high	37 Å²	37	45.5 Å²	45.5	16%	0.161	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	106.8	170.4	179.4	53.7	178.3	176.5	0	109.7	G253 C254 P270 E272 V286 L288	K244-G253 CarbonylContact O-C 3.53Å; K244-G253 VanDerWaalsContact O-CA 3.24Å; K244-G253 WeakPolarHBondContact O-CA 3.23Å; K244-C254 PolarHBondContact N-O 3.34Å; K244-C254 PolarHBondContact O-N 2.72Å; K244-P270 HydrophobicContact CB-CB 4.37Å; K244-P270 HydrophobicContact CD-CB 3.71Å; K244-P270 HydrophobicContact CG-CB 3.89Å; K244-E272 IonicContact NZ-OE1 2.79Å; K244-E272 PolarHBondContact NZ-OE1 2.93Å; K244-V286 HydrophobicContact CG-CB 3.99Å; K244-V286 HydrophobicContact CG-CG1 4.33Å; K244-V286 HydrophobicContact CG-CG2 4.01Å; K244-L288 HydrophobicContact CB-CB 4.29Å; K244-L288 HydrophobicContact CB-CD1 4.24Å; K244-L288 HydrophobicContact CB-CD2 4.49Å
245	M	98.8	Very high	98.4	Very high	54 Å²	54	45.5 Å²	45.5	27%	0.266	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	146.6	170.6	-162.7	174.1	64.5	0	0	111	E223 Y243	E223-M245 HydrophobicContact CB-SD 3.73Å; E223-M245 HydrophobicContact CG-SD 3.97Å; Y243-M245 HydrophobicContact CE1-CB 3.71Å; Y243-M245 HydrophobicContact CE1-CG 4.33Å
246	R	98.7	Very high	98.4	Very high	32 Å²	32	41.6 Å²	41.6	12%	0.121	22%	0.218	C	C	.	.			trans	-56.9	152.5	164.2	-74.3	-163.5	-63.9	173.2	1.3	110.6	K250 D252 D284 V286	R246-K250 HydrophobicContact CB-CB 3.52Å; R246-K250 HydrophobicContact CB-CG 4.12Å; R246-K250 HydrophobicContact CG-CB 4.43Å; R246-D252 VanDerWaalsContact CB-O 3.22Å; R246-D252 WeakPolarHBondContact CB-O 3.31Å; R246-D252 WeakPolarHBondContact CG-O 3.48Å; R246-D252 IonicContact CZ-OD1 3.56Å; R246-D252 IonicContact CZ-OD2 3.77Å; R246-D252 PolarHBondContact N-O 3.43Å; R246-D252 IonicContact NE-OD1 4Å; R246-D252 PolarHBondContact NE-OD1 3.25Å; R246-D252 IonicContact NE-OD2 3.37Å; R246-D252 PolarHBondContact NE-OD2 3.49Å; R246-D252 IonicContact NH2-OD1 3.26Å; R246-D252 PolarHBondContact NH2-OD1 2.9Å; R246-D252 IonicContact NH2-OD2 2.99Å; R246-D252 PolarHBondContact NH2-OD2 3.44Å; R246-D284 WeakPolarHBondContact CA-O 3.36Å; R246-D284 WeakPolarHBondContact CB-O 3.31Å; R246-D284 WeakPolarHBondContact CG-O 3.13Å; R246-V286 HydrophobicContact CG-CG2 4.01Å
247	T	98.1	Very high	98.5	Very high	19 Å²	19	37 Å²	37	12%	0.117	19%	0.186	C	C	.	.	S	Bend	trans	-76.7	178.6	179.1	60.7	0	0	0	0	111.7	R249 E272 D284 V286	T247-R249 PolarHBondContact O-N 3.32Å; T247-E272 HydrophobicContact CG2-CB 4.21Å; T247-E272 HydrophobicContact CG2-CG 3.77Å; T247-D284 PolarHBondContact N-O 2.94Å; T247-D284 VanDerWaalsContact N-O 3.15Å; T247-D284 VanDerWaalsContact O-CB 3.25Å; T247-D284 WeakPolarHBondContact O-CB 3.39Å; T247-D284 VanDerWaalsContact O-CG 3.25Å; T247-D284 WeakPolarHBondContact OG1-CA 3.34Å; T247-D284 WeakPolarHBondContact OG1-CB 3.29Å; T247-D284 PolarHBondContact OG1-OD1 3.05Å; T247-V286 HydrophobicContact CG2-CG1 4.36Å
248	G	96.4	Very high	98.5	Very high	64 Å²	64	35.5 Å²	35.5	66%	0.66	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	-129.7	173.2	0	0	0	0	0	112.7	D284	G248-D284 PolarHBondContact N-OD1 3.17Å
249	R	96.2	Very high	98.5	Very high	244 Å²	244	35.9 Å²	35.9	92%	0.921	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.5	26.4	-176.9	-61.8	-179.6	179.4	-107.1	0.3	112.7	T247	T247-R249 PolarHBondContact O-N 3.32Å
250	K	97.5	Very high	98.4	Very high	75 Å²	75	40.4 Å²	40.4	33%	0.326	20%	0.196	S	C	.	.			trans	-89.9	133.6	-179.8	-61.4	-54	-178.6	-63.5	0	109.4	R246 D252 D284	R246-K250 HydrophobicContact CB-CB 3.52Å; R246-K250 HydrophobicContact CB-CG 4.12Å; R246-K250 HydrophobicContact CG-CB 4.43Å; K250-D252 VanDerWaalsContact C-N 3.33Å; K250-D252 PolarHBondContact O-N 2.96Å; K250-D284 HydrophobicContact CG-CB 3.79Å; K250-D284 IonicContact NZ-OD2 3.68Å; K250-D284 PolarHBondContact NZ-OD2 2.73Å
251	P	97.9	Very high	98.3	Very high	32 Å²	32	41.2 Å²	41.2	21%	0.208	21%	0.209	C	C	.	.			trans	-84.6	-7.3	-170.1	35	-37.7	0	0	0	113.6	D178 L179 Q222 E223	D178-P251 HydrophobicContact CB-CB 4.29Å; D178-P251 HydrophobicContact CB-CG 3.75Å; D178-P251 VanDerWaalsContact OD2-CB 3.3Å; D178-P251 WeakPolarHBondContact OD2-CB 3.32Å; L179-P251 HydrophobicContact CD2-CG 4.48Å; Q222-P251 CarbonylContact C-O 3.56Å; Q222-P251 WeakPolarHBondContact CA-O 3.34Å; Q222-P251 HydrophobicContact CG-CB 4.13Å; Q222-P251 WeakPolarHBondContact CG-O 3.22Å; E223-P251 PolarHBondContact N-O 3.39Å
252	D	98.8	Very high	98.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	170.2	-167.4	66.6	-60.4	0	0	0	113.1	V221 R246 K250	V221-D252 CarbonylContact O-C 3.53Å; V221-D252 WeakPolarHBondContact O-CA 3.35Å; R246-D252 VanDerWaalsContact CB-O 3.22Å; R246-D252 WeakPolarHBondContact CB-O 3.31Å; R246-D252 WeakPolarHBondContact CG-O 3.48Å; R246-D252 IonicContact CZ-OD1 3.56Å; R246-D252 IonicContact CZ-OD2 3.77Å; R246-D252 PolarHBondContact N-O 3.43Å; R246-D252 IonicContact NE-OD1 4Å; R246-D252 PolarHBondContact NE-OD1 3.25Å; R246-D252 IonicContact NE-OD2 3.37Å; R246-D252 PolarHBondContact NE-OD2 3.49Å; R246-D252 IonicContact NH2-OD1 3.26Å; R246-D252 PolarHBondContact NH2-OD1 2.9Å; R246-D252 IonicContact NH2-OD2 2.99Å; R246-D252 PolarHBondContact NH2-OD2 3.44Å; K250-D252 VanDerWaalsContact C-N 3.33Å; K250-D252 PolarHBondContact O-N 2.96Å
253	G	98.8	Very high	98.3	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	-164.6	-177.9	0	0	0	0	0	114.2	E220 V221 Y243 K244	E220-G253 PolarHBondContact N-O 2.87Å; V221-G253 PolarHBondContact N-O 3.21Å; V221-G253 PolarHBondContact O-N 3.31Å; Y243-G253 PolarHBondContact OH-N 2.81Å; K244-G253 CarbonylContact O-C 3.53Å; K244-G253 VanDerWaalsContact O-CA 3.24Å; K244-G253 WeakPolarHBondContact O-CA 3.23Å
254	C	98.9	Very high	98.2	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.1	175.5	-67.8	0	0	0	0	110.5	L218 Y243 K244	L218-C254 VanDerWaalsContact O-CA 3.3Å; L218-C254 WeakPolarHBondContact O-CA 3.19Å; Y243-C254 VanDerWaalsContact CD2-O 3.22Å; Y243-C254 WeakPolarHBondContact CD2-O 3.38Å; K244-C254 PolarHBondContact N-O 3.34Å; K244-C254 PolarHBondContact O-N 2.72Å
255	A	98.9	Very high	98.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.2	169.2	0	0	0	0	0	110.7	L218 V221 Y226 E242 Y243 N308	L218-A255 HydrophobicContact CB-CB 4.35Å; L218-A255 PolarHBondContact N-O 3.29Å; L218-A255 PolarHBondContact O-N 2.95Å; V221-A255 HydrophobicContact CG2-CB 4.19Å; Y226-A255 HydrophobicContact CE2-CB 4.36Å; E242-A255 CarbonylContact O-C 2.96Å; E242-A255 WeakPolarHBondContact O-CA 3.49Å; Y243-A255 HydrophobicContact CD2-CB 4.14Å; A255-N308 PolarHBondContact O-ND2 2.78Å
256	I	98.9	Very high	98.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.5	164.7	-61.1	175	0	0	0	107.3	V215 L216 E242 L288 L290 V306 N308	V215-I256 HydrophobicContact CG1-CG2 4.3Å; L216-I256 CarbonylContact O-C 3.52Å; L216-I256 VanDerWaalsContact O-CA 3.29Å; L216-I256 WeakPolarHBondContact O-CA 3.42Å; E242-I256 PolarHBondContact N-O 3.03Å; E242-I256 PolarHBondContact O-N 3.5Å; I256-L288 HydrophobicContact CB-CD2 4.22Å; I256-L288 HydrophobicContact CD1-CB 4.17Å; I256-L288 HydrophobicContact CD1-CD2 4.28Å; I256-L288 HydrophobicContact CD1-CG 4.03Å; I256-L288 VanDerWaalsContact CD1-O 3.26Å; I256-L288 WeakPolarHBondContact CD1-O 3.26Å; I256-L288 HydrophobicContact CG1-CD2 4.07Å; I256-L288 HydrophobicContact CG1-CG 4.37Å; I256-L290 HydrophobicContact CB-CD1 3.7Å; I256-L290 HydrophobicContact CB-CG 4.01Å; I256-L290 HydrophobicContact CD1-CG 4Å; I256-L290 HydrophobicContact CG2-CD1 3.48Å; I256-L290 VanDerWaalsContact CG2-CD1 3.48Å; I256-L290 HydrophobicContact CG2-CG 3.97Å; I256-V306 HydrophobicContact CD1-CG1 4.27Å; I256-V306 WeakPolarHBondContact CD1-O 3.4Å; I256-V306 HydrophobicContact CG2-CG1 4.07Å; I256-N308 HydrophobicContact CD1-CB 3.63Å; I256-N308 HydrophobicContact CG1-CB 3.55Å
257	C	98.9	Very high	98.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.7	179.5	-45.1	0	0	0	0	109.4	V215 L216 L234 Y239 H240 C241	V215-C257 CarbonylContact C-O 3.54Å; V215-C257 WeakPolarHBondContact CA-O 3.27Å; L216-C257 HydrophobicContact CB-CB 4.11Å; L216-C257 HydrophobicContact CD1-CB 4.26Å; L216-C257 HydrophobicContact CG-CB 4.44Å; L216-C257 PolarHBondContact N-O 3.12Å; L216-C257 PolarHBondContact O-N 3.19Å; L234-C257 HydrophobicContact CD1-CB 4.47Å; Y239-C257 HydrophobicContact CD1-CB 4.09Å; Y239-C257 HydrophobicContact CG-CB 4.33Å; H240-C257 CarbonylContact O-C 3.53Å; H240-C257 WeakPolarHBondContact O-CA 3.45Å; C241-C257 HydrophobicContact CB-CB 4.36Å; C241-C257 PolarHBondContact SG-SG 3.45Å
258	F	98.9	Very high	98.2	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148.1	178.9	63.1	-93.4	0	0	0	111.3	D214 V215 Y239 H240 H260 F263 L265 L290 L292	D214-F258 CarbonylContact O-C 3.6Å; D214-F258 VanDerWaalsContact O-CA 3.29Å; D214-F258 WeakPolarHBondContact O-CA 3.48Å; V215-F258 HydrophobicContact CG2-CB 4.21Å; Y239-F258 CarbonylContact C-O 3.51Å; Y239-F258 VanDerWaalsContact CA-O 3.31Å; Y239-F258 WeakPolarHBondContact CA-O 3.41Å; H240-F258 HydrophobicContact CB-CD2 4.38Å; H240-F258 HydrophobicContact CB-CE1 3.97Å; H240-F258 HydrophobicContact CB-CE2 3.81Å; H240-F258 HydrophobicContact CB-CZ 3.54Å; H240-F258 AromaticContact CD2-CE1 3.41Å; H240-F258 VanDerWaalsContact CD2-CE1 3.41Å; H240-F258 WeakPolarHBondContact CD2-CE1 3.36Å; H240-F258 AromaticContact CD2-CZ 3.49Å; H240-F258 VanDerWaalsContact CD2-CZ 3.49Å; H240-F258 WeakPolarHBondContact CD2-CZ 3.33Å; H240-F258 AromaticContact CG-CE1 3.96Å; H240-F258 AromaticContact CG-CZ 3.63Å; H240-F258 PolarHBondContact N-O 3.19Å; H240-F258 PolarHBondContact O-N 3.15Å; F258-H260 PolarHBondContact O-N 3.26Å; F258-F263 HydrophobicContact CB-CD2 4.22Å; F258-F263 HydrophobicContact CD2-CB 3.65Å; F258-F263 HydrophobicContact CE2-CB 4.12Å; F258-F263 HydrophobicContact CG-CB 4.33Å; F258-L265 HydrophobicContact CE1-CB 4.16Å; F258-L265 HydrophobicContact CE1-CD1 4.35Å; F258-L265 HydrophobicContact CZ-CB 3.74Å; F258-L290 HydrophobicContact CD1-CD1 4.14Å; F258-L290 HydrophobicContact CE1-CD1 4.19Å; F258-L292 HydrophobicContact CB-CD1 4.03Å; F258-L292 HydrophobicContact CD1-CD1 4.04Å; F258-L292 HydrophobicContact CD1-CD2 3.65Å; F258-L292 HydrophobicContact CE1-CD2 3.64Å; F258-L292 HydrophobicContact CG-CD1 4.04Å; F258-L292 HydrophobicContact CG-CD2 4.17Å; F258-L292 HydrophobicContact CZ-CD2 4.16Å
259	K	98.8	Very high	98.3	Very high	25 Å²	25	44.7 Å²	44.7	11%	0.109	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	116	176.1	-70.1	-73.6	-169.1	164.9	0	109.8	D212 D214 L237 G238 Y239 S261 K262 F263	D212-K259 WeakPolarHBondContact OD1-CE 3.48Å; D212-K259 IonicContact OD1-NZ 3.88Å; D212-K259 PolarHBondContact OD1-NZ 3.02Å; D212-K259 IonicContact OD2-NZ 2.98Å; D214-K259 PolarHBondContact O-N 2.91Å; L237-K259 PolarHBondContact O-NZ 2.91Å; G238-K259 WeakPolarHBondContact O-CA 3.36Å; Y239-K259 HydrophobicContact CD1-CD 4.23Å; Y239-K259 HydrophobicContact CD1-CG 4.23Å; Y239-K259 HydrophobicContact CD2-CD 4.46Å; Y239-K259 HydrophobicContact CE1-CD 3.95Å; Y239-K259 HydrophobicContact CE1-CG 3.84Å; Y239-K259 HydrophobicContact CE2-CD 4.22Å; Y239-K259 HydrophobicContact CG-CD 4.47Å; Y239-K259 VanDerWaalsContact CZ-CE 3.4Å; Y239-K259 WeakPolarHBondContact OH-CE 3.42Å; K259-S261 PolarHBondContact O-N 2.78Å; K259-S261 VanDerWaalsContact O-N 3.1Å; K259-K262 HydrophobicContact CB-CB 4.17Å; K259-K262 HydrophobicContact CB-CG 4.14Å; K259-K262 PolarHBondContact O-N 2.94Å; K259-F263 PolarHBondContact O-N 3.11Å; K259-F263 VanDerWaalsContact O-N 3.1Å
260	H	97.6	Very high	98.5	Very high	98 Å²	98	36.3 Å²	36.3	45%	0.454	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.5	-179.9	62.1	61.5	0	0	0	112.7	G238 F258 K262 K295	G238-H260 VanDerWaalsContact C-CD2 3.44Å; G238-H260 WeakPolarHBondContact CA-NE2 3.19Å; G238-H260 PolarHBondContact O-CD2 3Å; G238-H260 PolarHBondContact O-N 3.4Å; G238-H260 VanDerWaalsContact O-N 3.1Å; G238-H260 PolarHBondContact O-NE2 2.66Å; F258-H260 PolarHBondContact O-N 3.26Å; H260-K262 VanDerWaalsContact C-N 3.33Å; H260-K295 PolarHBondContact O-NZ 2.98Å
261	S	97.6	Very high	98.5	Very high	79 Å²	79	33.1 Å²	33.1	55%	0.552	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-26	170.8	54.9	0	0	0	0	112.9	K259	K259-S261 PolarHBondContact O-N 2.78Å; K259-S261 VanDerWaalsContact O-N 3.1Å
262	K	97.6	Very high	98.6	Very high	54 Å²	54	36 Å²	36	24%	0.235	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-27.8	-173.6	-69.3	-80.3	-72.3	176.5	0	113.4	F165 D166 D214 K259 H260 K295	F165-K262 HydrophobicContact CE2-CD 4.44Å; D166-K262 PolarHBondContact O-NZ 2.66Å; D214-K262 WeakPolarHBondContact OD1-CE 3.49Å; D214-K262 WeakPolarHBondContact OD1-CG 3.36Å; K259-K262 HydrophobicContact CB-CB 4.17Å; K259-K262 HydrophobicContact CB-CG 4.14Å; K259-K262 PolarHBondContact O-N 2.94Å; H260-K262 VanDerWaalsContact C-N 3.33Å; K262-K295 PolarHBondContact O-N 2.9Å
263	F	98.3	Very high	98.6	Very high	2 Å²	2	36 Å²	36	1%	0.009	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	153.6	-176.8	-57.4	-86.7	0	0	0	112.7	F165 F167 D214 V215 F258 K259 L292 Q293 P294 K295 I304	F165-F263 HydrophobicContact CE1-CD1 4.43Å; F165-F263 AromaticContact CE1-CE1 3.41Å; F165-F263 HydrophobicContact CE1-CE1 3.41Å; F165-F263 VanDerWaalsContact CE1-CE1 3.41Å; F165-F263 HydrophobicContact CE1-CE2 4.48Å; F165-F263 AromaticContact CE1-CZ 3.45Å; F165-F263 HydrophobicContact CE1-CZ 3.45Å; F165-F263 VanDerWaalsContact CE1-CZ 3.45Å; F165-F263 HydrophobicContact CZ-CD1 4.2Å; F165-F263 AromaticContact CZ-CE1 3.51Å; F165-F263 HydrophobicContact CZ-CE1 3.51Å; F165-F263 HydrophobicContact CZ-CE2 4.14Å; F165-F263 AromaticContact CZ-CZ 3.48Å; F165-F263 HydrophobicContact CZ-CZ 3.48Å; F165-F263 VanDerWaalsContact CZ-CZ 3.48Å; F167-F263 HydrophobicContact CB-CE2 4.42Å; F167-F263 HydrophobicContact CB-CZ 3.93Å; F167-F263 AromaticContact CD2-CZ 3.93Å; F167-F263 HydrophobicContact CD2-CZ 3.93Å; F167-F263 AromaticContact CG-CZ 3.93Å; F167-F263 HydrophobicContact CG-CZ 3.93Å; D214-F263 HydrophobicContact CB-CE2 4.1Å; V215-F263 HydrophobicContact CG2-CD2 4.34Å; V215-F263 HydrophobicContact CG2-CE2 3.72Å; V215-F263 HydrophobicContact CG2-CZ 4.12Å; F258-F263 HydrophobicContact CB-CD2 4.22Å; F258-F263 HydrophobicContact CD2-CB 3.65Å; F258-F263 HydrophobicContact CE2-CB 4.12Å; F258-F263 HydrophobicContact CG-CB 4.33Å; K259-F263 PolarHBondContact O-N 3.11Å; K259-F263 VanDerWaalsContact O-N 3.1Å; F263-L292 HydrophobicContact CB-CB 4.27Å; F263-L292 HydrophobicContact CD1-CB 3.93Å; F263-L292 HydrophobicContact CD1-CD1 4.46Å; F263-L292 HydrophobicContact CG-CB 4.34Å; F263-L292 HydrophobicContact CG-CD1 4.36Å; F263-Q293 CarbonylContact C-O 3.56Å; F263-Q293 VanDerWaalsContact CA-O 3.29Å; F263-Q293 WeakPolarHBondContact CA-O 3.34Å; F263-P294 HydrophobicContact CD1-CG 4.47Å; F263-P294 HydrophobicContact CE1-CG 4.3Å; F263-K295 WeakPolarHBondContact O-CE 3.3Å; F263-I304 HydrophobicContact CE1-CD1 4.19Å
264	S	97.8	Very high	98.6	Very high	49 Å²	49	39.4 Å²	39.4	34%	0.343	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.9	160.1	-64.9	0	0	0	0	109.3	L292 Q293 K295	S264-L292 CarbonylContact O-C 3.57Å; S264-L292 WeakPolarHBondContact O-CA 3.46Å; S264-Q293 PolarHBondContact N-O 3.05Å; S264-Q293 PolarHBondContact O-N 3.13Å; S264-K295 WeakPolarHBondContact OG-CE 3.38Å
265	L	98.6	Very high	98.5	Very high	55 Å²	55	42.7 Å²	42.7	29%	0.288	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	128.9	173.7	179.6	60.1	0	0	0	110.7	E242 F258 S267 V268 L290 L292	E242-L265 HydrophobicContact CG-CD2 4.21Å; F258-L265 HydrophobicContact CE1-CB 4.16Å; F258-L265 HydrophobicContact CE1-CD1 4.35Å; F258-L265 HydrophobicContact CZ-CB 3.74Å; L265-S267 VanDerWaalsContact CD1-O 3.28Å; L265-S267 WeakPolarHBondContact CD1-O 3.25Å; L265-V268 HydrophobicContact CD1-CG2 3.94Å; L265-V268 HydrophobicContact CD2-CG2 3.58Å; L265-V268 HydrophobicContact CG-CG2 4.12Å; L265-L290 HydrophobicContact CD1-CB 4.24Å; L265-L290 HydrophobicContact CD1-CD1 4.2Å; L265-L290 HydrophobicContact CD1-CD2 4.26Å; L265-L290 HydrophobicContact CD1-CG 4.48Å; L265-L292 HydrophobicContact CD1-CD2 3.8Å
266	L	98.3	Very high	98.4	Very high	94 Å²	94	47.8 Å²	47.8	49%	0.492	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-44.1	173.7	-60.9	-178.3	0	0	0	112	L291 Q293 A303	L266-L291 HydrophobicContact CB-CB 4.23Å; L266-L291 HydrophobicContact CB-CD2 4.24Å; L266-L291 HydrophobicContact CB-CG 4.29Å; L266-L291 WeakPolarHBondContact CB-O 3.18Å; L266-L291 HydrophobicContact CD1-CD2 4.04Å; L266-L291 HydrophobicContact CD1-CG 4.13Å; L266-L291 PolarHBondContact N-O 3.29Å; L266-Q293 HydrophobicContact CD1-CB 4.05Å; L266-Q293 HydrophobicContact CD2-CB 4.05Å; L266-Q293 HydrophobicContact CG-CB 4Å; L266-A303 HydrophobicContact CD1-CB 3.94Å
267	S	98.7	Very high	98.3	Very high	34 Å²	34	51.9 Å²	51.9	24%	0.238	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	153.7	176.7	67.6	0	0	0	0	113	L265 N269 L290 L291	L265-S267 VanDerWaalsContact CD1-O 3.28Å; L265-S267 WeakPolarHBondContact CD1-O 3.25Å; S267-N269 PolarHBondContact OG-ND2 3.4Å; S267-L290 WeakPolarHBondContact O-CA 3.49Å; S267-L291 PolarHBondContact N-O 3.34Å; S267-L291 PolarHBondContact O-N 2.97Å; S267-L291 VanDerWaalsContact O-N 3.09Å; S267-L291 WeakPolarHBondContact OG-CB 3.27Å
268	V	98.9	Very high	98.3	Very high	55 Å²	55	52.1 Å²	52.1	33%	0.333	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.7	175.1	-175.8	0	0	0	0	107.7	E242 L265 L288 L290	E242-V268 HydrophobicContact CB-CG1 4.48Å; E242-V268 HydrophobicContact CG-CG1 4.39Å; E242-V268 HydrophobicContact CG-CG2 3.9Å; L265-V268 HydrophobicContact CD1-CG2 3.94Å; L265-V268 HydrophobicContact CD2-CG2 3.58Å; L265-V268 HydrophobicContact CG-CG2 4.12Å; V268-L288 HydrophobicContact CG1-CD1 3.87Å; V268-L290 HydrophobicContact CB-CD2 4.02Å; V268-L290 HydrophobicContact CG1-CD2 3.76Å; V268-L290 HydrophobicContact CG2-CD2 3.93Å
269	N	98.9	Very high	98.2	Very high	34 Å²	34	57.5 Å²	57.5	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	89.8	-171.7	-41.9	-86.3	0	0	0	108.4	S267 V289 E331 V335	S267-N269 PolarHBondContact OG-ND2 3.4Å; N269-V289 HydrophobicContact CB-CB 4.3Å; N269-V289 WeakPolarHBondContact CB-O 3.17Å; N269-V289 PolarHBondContact N-O 2.8Å; N269-V289 PolarHBondContact ND2-O 3.26Å; N269-V289 PolarHBondContact O-N 2.67Å; N269-E331 HydrophobicContact CB-CG 4.24Å; N269-E331 WeakPolarHBondContact CB-OE1 3.45Å; N269-V335 HydrophobicContact CB-CG2 3.9Å; N269-V335 VanDerWaalsContact CG-CG2 3.47Å
270	P	98.8	Very high	98.2	Very high	68 Å²	68	57.7 Å²	57.7	44%	0.442	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	141.7	177.1	30.4	-33.3	0	0	0	110.8	K244 L288	K244-P270 HydrophobicContact CB-CB 4.37Å; K244-P270 HydrophobicContact CD-CB 3.71Å; K244-P270 HydrophobicContact CG-CB 3.89Å; P270-L288 HydrophobicContact CB-CD1 4.23Å
271	V	98.9	Very high	98.2	Very high	8 Å²	8	53 Å²	53	5%	0.048	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.2	178.6	-170.5	0	0	0	0	109.2	F273 V286 G287 V289 M327 L328 E331	V271-F273 HydrophobicContact CB-CE1 4.2Å; V271-F273 HydrophobicContact CG1-CD1 3.82Å; V271-F273 HydrophobicContact CG1-CE1 3.5Å; V271-F273 HydrophobicContact CG1-CZ 4.45Å; V271-V286 CarbonylContact O-C 3.46Å; V271-V286 WeakPolarHBondContact O-CA 3.36Å; V271-V286 WeakPolarHBondContact O-CB 3.22Å; V271-G287 PolarHBondContact N-O 2.82Å; V271-G287 PolarHBondContact O-N 2.8Å; V271-V289 HydrophobicContact CG2-CG2 4.38Å; V271-M327 HydrophobicContact CG1-CB 4.36Å; V271-L328 HydrophobicContact CG2-CD1 4.4Å; V271-E331 HydrophobicContact CG2-CB 3.62Å; V271-E331 HydrophobicContact CG2-CG 3.52Å
272	E	98.8	Very high	98.2	Very high	93 Å²	93	52.4 Å²	52.4	44%	0.435	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.8	170.6	-66.5	-177.6	177.7	0	0	109.5	K244 T247 V286 M327	K244-E272 IonicContact NZ-OE1 2.79Å; K244-E272 PolarHBondContact NZ-OE1 2.93Å; T247-E272 HydrophobicContact CG2-CB 4.21Å; T247-E272 HydrophobicContact CG2-CG 3.77Å; E272-V286 HydrophobicContact CG-CG1 4.48Å; E272-M327 VanDerWaalsContact O-CE 3.22Å; E272-M327 WeakPolarHBondContact O-CE 3.2Å
273	F	98.8	Very high	98.3	Very high	1 Å²	1	53.2 Å²	53.2	0%	0.004	29%	0.294	C	S	.	.			trans	-82	-22.2	177.3	-56.1	-44.3	0	0	0	113.1	V271 R275 L281 N285 V286 T309 L311 Q324 M327 L328	V271-F273 HydrophobicContact CB-CE1 4.2Å; V271-F273 HydrophobicContact CG1-CD1 3.82Å; V271-F273 HydrophobicContact CG1-CE1 3.5Å; V271-F273 HydrophobicContact CG1-CZ 4.45Å; F273-R275 PolarHBondContact O-N 2.82Å; F273-L281 WeakPolarHBondContact O-CB 3.35Å; F273-N285 VanDerWaalsContact CB-O 3.31Å; F273-N285 WeakPolarHBondContact CB-O 3.3Å; F273-N285 HydrophobicContact CD2-CB 3.67Å; F273-N285 WeakPolarHBondContact CD2-O 3.01Å; F273-N285 HydrophobicContact CE2-CB 4.33Å; F273-N285 PolarHBondContact N-O 3.11Å; F273-N285 VanDerWaalsContact N-O 3.15Å; F273-V286 WeakPolarHBondContact CE2-O 3.3Å; F273-T309 WeakPolarHBondContact CE2-OG1 3.46Å; F273-L311 HydrophobicContact CE2-CD2 4.04Å; F273-L311 HydrophobicContact CZ-CD2 4.37Å; F273-Q324 HydrophobicContact CB-CG 3.77Å; F273-Q324 HydrophobicContact CD1-CB 4.2Å; F273-Q324 HydrophobicContact CD1-CG 4.37Å; F273-Q324 HydrophobicContact CD2-CB 3.89Å; F273-Q324 HydrophobicContact CD2-CG 3.77Å; F273-Q324 HydrophobicContact CE1-CB 4.42Å; F273-Q324 WeakPolarHBondContact CE1-O 3.2Å; F273-Q324 HydrophobicContact CE2-CB 4.15Å; F273-Q324 HydrophobicContact CE2-CG 4.49Å; F273-Q324 HydrophobicContact CG-CB 3.95Å; F273-Q324 HydrophobicContact CG-CG 3.72Å; F273-Q324 HydrophobicContact CZ-CB 4.41Å; F273-M327 HydrophobicContact CB-CE 4.48Å; F273-M327 HydrophobicContact CB-SD 4.3Å; F273-M327 HydrophobicContact CD1-CB 3.82Å; F273-M327 HydrophobicContact CD1-CE 4.12Å; F273-M327 HydrophobicContact CD1-SD 3.94Å; F273-M327 HydrophobicContact CE1-CB 3.94Å; F273-L328 HydrophobicContact CE1-CB 4.23Å; F273-L328 HydrophobicContact CZ-CB 4.22Å
274	F	98.6	Very high	98.3	Very high	72 Å²	72	54.5 Å²	54.5	32%	0.316	30%	0.301	S	S	.	.			trans	-66.2	127.1	174	175.1	-107.6	0	0	0	110.4	P276 L281 R283	F274-P276 HydrophobicContact CE1-CB 3.96Å; F274-P276 HydrophobicContact CE1-CG 4.25Å; F274-P276 HydrophobicContact CZ-CB 3.96Å; F274-L281 WeakPolarHBondContact CA-O 3.35Å; F274-L281 WeakPolarHBondContact CD2-O 3.41Å; F274-R283 WeakPolarHBondContact CA-O 3.42Å; F274-R283 WeakPolarHBondContact CB-O 3.16Å; F274-R283 PolarHBondContact N-O 2.84Å
275	R	98.1	Very high	98.3	Very high	71 Å²	71	52.5 Å²	52.5	27%	0.268	29%	0.286	S	S	.	.			trans	-130.3	105.2	177.5	-70.1	-66.5	-63.7	-92.9	-8.9	109.3	F273 D277 I278 L281 M327	F273-R275 PolarHBondContact O-N 2.82Å; R275-D277 IonicContact CZ-OD1 3.27Å; R275-D277 IonicContact CZ-OD2 3.83Å; R275-D277 IonicContact NE-OD1 3.48Å; R275-D277 PolarHBondContact NE-OD1 3.08Å; R275-D277 VanDerWaalsContact NE-OD1 3.11Å; R275-D277 IonicContact NE-OD2 3.11Å; R275-D277 IonicContact NH2-OD1 3.19Å; R275-D277 IonicContact NH2-OD2 3.62Å; R275-D277 PolarHBondContact NH2-OD2 3.38Å; R275-D277 PolarHBondContact O-N 3.15Å; R275-D277 VanDerWaalsContact O-N 3.15Å; R275-I278 HydrophobicContact CB-CB 3.92Å; R275-I278 HydrophobicContact CB-CD1 4.09Å; R275-I278 HydrophobicContact CB-CG1 4.22Å; R275-I278 HydrophobicContact CG-CD1 4.34Å; R275-I278 CarbonylContact O-C 3.58Å; R275-I278 PolarHBondContact O-N 3.49Å; R275-I278 VanDerWaalsContact O-O 3.11Å; R275-L281 HydrophobicContact CB-CB 3.94Å; R275-L281 HydrophobicContact CB-CD1 4.08Å; R275-L281 HydrophobicContact CG-CB 4.4Å; R275-L281 HydrophobicContact CG-CD1 3.82Å; R275-L281 PolarHBondContact N-O 2.53Å; R275-M327 HydrophobicContact CG-CE 4.17Å
276	P	97	Very high	98.3	Very high	108 Å²	108	49.9 Å²	49.9	70%	0.701	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22	-175.7	26.6	-34.2	0	0	0	112.8	F274	F274-P276 HydrophobicContact CE1-CB 3.96Å; F274-P276 HydrophobicContact CE1-CG 4.25Å; F274-P276 HydrophobicContact CZ-CB 3.96Å
277	D	97.2	Very high	98.4	Very high	85 Å²	85	45.4 Å²	45.4	46%	0.455	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-6.1	175.9	59.6	-49.7	0	0	0	114	R275 N400	R275-D277 IonicContact CZ-OD1 3.27Å; R275-D277 IonicContact CZ-OD2 3.83Å; R275-D277 IonicContact NE-OD1 3.48Å; R275-D277 PolarHBondContact NE-OD1 3.08Å; R275-D277 VanDerWaalsContact NE-OD1 3.11Å; R275-D277 IonicContact NE-OD2 3.11Å; R275-D277 IonicContact NH2-OD1 3.19Å; R275-D277 IonicContact NH2-OD2 3.62Å; R275-D277 PolarHBondContact NH2-OD2 3.38Å; R275-D277 PolarHBondContact O-N 3.15Å; R275-D277 VanDerWaalsContact O-N 3.15Å; D277-N400 PolarHBondContact O-ND2 2.83Å
278	I	97.8	Very high	98.4	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	24%	0.239	C	C	.	.			trans	-129.9	102.8	-176.3	-61.5	170.7	0	0	0	109.8	R275 L280 L281 P398 N400 L401	R275-I278 HydrophobicContact CB-CB 3.92Å; R275-I278 HydrophobicContact CB-CD1 4.09Å; R275-I278 HydrophobicContact CB-CG1 4.22Å; R275-I278 HydrophobicContact CG-CD1 4.34Å; R275-I278 CarbonylContact O-C 3.58Å; R275-I278 PolarHBondContact O-N 3.49Å; R275-I278 VanDerWaalsContact O-O 3.11Å; I278-L280 HydrophobicContact CG2-CB 4.01Å; I278-L280 PolarHBondContact O-N 2.84Å; I278-L281 HydrophobicContact CB-CB 4.37Å; I278-L281 HydrophobicContact CB-CD1 4.48Å; I278-L281 HydrophobicContact CD1-CD1 4.3Å; I278-L281 HydrophobicContact CG2-CB 4.17Å; I278-L281 HydrophobicContact CG2-CD1 4.14Å; I278-L281 HydrophobicContact CG2-CG 4.16Å; I278-L281 PolarHBondContact O-N 3.02Å; I278-P398 HydrophobicContact CG1-CG 4.45Å; I278-P398 HydrophobicContact CG2-CG 3.72Å; I278-N400 WeakPolarHBondContact CG1-ND2 3.17Å; I278-L401 HydrophobicContact CD1-CB 3.89Å; I278-L401 HydrophobicContact CD1-CD1 3.72Å; I278-L401 HydrophobicContact CD1-CG 4.42Å
279	S	97.8	Very high	98.4	Very high	117 Å²	117	41.3 Å²	41.3	82%	0.818	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.8	-177.5	-50.6	0	0	0	0	114.9	L281	S279-L281 VanDerWaalsContact C-N 3.32Å
280	L	97.9	Very high	98.4	Very high	29 Å²	29	39.7 Å²	39.7	15%	0.152	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-35.2	174	175.1	63	0	0	0	111.9	I278 D282 D319 I320 T323 W397	I278-L280 HydrophobicContact CG2-CB 4.01Å; I278-L280 PolarHBondContact O-N 2.84Å; L280-D282 PolarHBondContact O-N 3.22Å; L280-D319 HydrophobicContact CD1-CB 4.17Å; L280-D319 WeakPolarHBondContact CD1-OD2 3.46Å; L280-I320 HydrophobicContact CD1-CG1 4.11Å; L280-I320 WeakPolarHBondContact O-CD1 3.36Å; L280-I320 WeakPolarHBondContact O-CG1 3.3Å; L280-T323 HydrophobicContact CD2-CG2 4.46Å; L280-W397 HydrophobicContact CD2-CB 4.01Å
281	L	98.3	Very high	98.4	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.201	C	C	.	.			trans	-101.9	58.2	-169.6	-75	175.4	0	0	0	111.2	F273 F274 R275 I278 S279 R283 T323 M327 L401	F273-L281 WeakPolarHBondContact O-CB 3.35Å; F274-L281 WeakPolarHBondContact CA-O 3.35Å; F274-L281 WeakPolarHBondContact CD2-O 3.41Å; R275-L281 HydrophobicContact CB-CB 3.94Å; R275-L281 HydrophobicContact CB-CD1 4.08Å; R275-L281 HydrophobicContact CG-CB 4.4Å; R275-L281 HydrophobicContact CG-CD1 3.82Å; R275-L281 PolarHBondContact N-O 2.53Å; I278-L281 HydrophobicContact CB-CB 4.37Å; I278-L281 HydrophobicContact CB-CD1 4.48Å; I278-L281 HydrophobicContact CD1-CD1 4.3Å; I278-L281 HydrophobicContact CG2-CB 4.17Å; I278-L281 HydrophobicContact CG2-CD1 4.14Å; I278-L281 HydrophobicContact CG2-CG 4.16Å; I278-L281 PolarHBondContact O-N 3.02Å; S279-L281 VanDerWaalsContact C-N 3.32Å; L281-R283 VanDerWaalsContact C-N 3.34Å; L281-R283 PolarHBondContact O-N 2.9Å; L281-T323 HydrophobicContact CD1-CG2 4.02Å; L281-T323 HydrophobicContact CD2-CG2 3.74Å; L281-T323 HydrophobicContact CG-CG2 4.12Å; L281-M327 HydrophobicContact CD1-CE 4.37Å; L281-M327 HydrophobicContact CD1-SD 3.64Å; L281-M327 HydrophobicContact CD2-SD 4.07Å; L281-L401 HydrophobicContact CD1-CD1 3.59Å; L281-L401 HydrophobicContact CD1-CD2 4.44Å
282	D	97.9	Very high	98.4	Very high	66 Å²	66	37.5 Å²	37.5	35%	0.353	20%	0.198	S	C	.	.			trans	-96.8	28.8	-176.8	67.2	-15.8	0	0	0	112.7	L280 I320	L280-D282 PolarHBondContact O-N 3.22Å; D282-I320 WeakPolarHBondContact OD1-CD1 3.22Å
283	R	98.5	Very high	98.3	Very high	70 Å²	70	35.7 Å²	35.7	26%	0.264	19%	0.19	S	C	.	.			trans	-127.8	135.3	-175.3	-62.9	-67.1	179.4	-88.2	-9.3	111.6	F274 L281 N285 L312 I320	F274-R283 WeakPolarHBondContact CA-O 3.42Å; F274-R283 WeakPolarHBondContact CB-O 3.16Å; F274-R283 PolarHBondContact N-O 2.84Å; L281-R283 VanDerWaalsContact C-N 3.34Å; L281-R283 PolarHBondContact O-N 2.9Å; R283-N285 PolarHBondContact O-N 2.76Å; R283-L312 HydrophobicContact CB-CD1 4.42Å; R283-L312 HydrophobicContact CG-CD1 3.93Å; R283-L312 HydrophobicContact CG-CD2 4.09Å; R283-I320 HydrophobicContact CB-CG2 4.49Å; R283-I320 HydrophobicContact CG-CD1 3.68Å; R283-I320 HydrophobicContact CG-CG2 4.28Å
284	D	98.5	Very high	98.1	Very high	30 Å²	30	35.9 Å²	35.9	16%	0.16	19%	0.191	C	C	.	.			trans	-79.7	9.8	-171.4	-62.4	-58.1	0	0	0	115.6	R246 T247 G248 K250	R246-D284 WeakPolarHBondContact CA-O 3.36Å; R246-D284 WeakPolarHBondContact CB-O 3.31Å; R246-D284 WeakPolarHBondContact CG-O 3.13Å; T247-D284 PolarHBondContact N-O 2.94Å; T247-D284 VanDerWaalsContact N-O 3.15Å; T247-D284 VanDerWaalsContact O-CB 3.25Å; T247-D284 WeakPolarHBondContact O-CB 3.39Å; T247-D284 VanDerWaalsContact O-CG 3.25Å; T247-D284 WeakPolarHBondContact OG1-CA 3.34Å; T247-D284 WeakPolarHBondContact OG1-CB 3.29Å; T247-D284 PolarHBondContact OG1-OD1 3.05Å; G248-D284 PolarHBondContact N-OD1 3.17Å; K250-D284 HydrophobicContact CG-CB 3.79Å; K250-D284 IonicContact NZ-OD2 3.68Å; K250-D284 PolarHBondContact NZ-OD2 2.73Å
285	N	98.8	Very high	97.9	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.032	20%	0.198	C	C	.	.			trans	-62.6	155.4	178.5	-62.6	90.5	0	0	0	110.6	F273 R283 H310 L311 L312 Q324	F273-N285 VanDerWaalsContact CB-O 3.31Å; F273-N285 WeakPolarHBondContact CB-O 3.3Å; F273-N285 HydrophobicContact CD2-CB 3.67Å; F273-N285 WeakPolarHBondContact CD2-O 3.01Å; F273-N285 HydrophobicContact CE2-CB 4.33Å; F273-N285 PolarHBondContact N-O 3.11Å; F273-N285 VanDerWaalsContact N-O 3.15Å; R283-N285 PolarHBondContact O-N 2.76Å; N285-H310 PolarHBondContact ND2-O 3.11Å; N285-L311 PolarHBondContact ND2-O 2.93Å; N285-L312 PolarHBondContact ND2-N 2.9Å; N285-L312 WeakPolarHBondContact OD1-CA 3.22Å; N285-Q324 PolarHBondContact OD1-NE2 3Å
286	V	98.9	Very high	97.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	161.6	-176.3	-64.8	0	0	0	0	111	K244 R246 T247 V271 E272 F273 T309	K244-V286 HydrophobicContact CG-CB 3.99Å; K244-V286 HydrophobicContact CG-CG1 4.33Å; K244-V286 HydrophobicContact CG-CG2 4.01Å; R246-V286 HydrophobicContact CG-CG2 4.01Å; T247-V286 HydrophobicContact CG2-CG1 4.36Å; V271-V286 CarbonylContact O-C 3.46Å; V271-V286 WeakPolarHBondContact O-CA 3.36Å; V271-V286 WeakPolarHBondContact O-CB 3.22Å; E272-V286 HydrophobicContact CG-CG1 4.48Å; F273-V286 WeakPolarHBondContact CE2-O 3.3Å; V286-T309 PolarHBondContact O-OG1 2.79Å
287	G	98.9	Very high	96.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	168.9	163.4	0	0	0	0	0	111.4	V271 N308	V271-G287 PolarHBondContact N-O 2.82Å; V271-G287 PolarHBondContact O-N 2.8Å; G287-N308 CarbonylContact C-O 3.52Å; G287-N308 VanDerWaalsContact CA-O 3.23Å; G287-N308 WeakPolarHBondContact CA-O 3.39Å
288	L	98.9	Very high	94.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	131.2	174	-177.1	60.5	0	0	0	108.8	E242 K244 I256 V268 P270 L290 A307 N308	E242-L288 HydrophobicContact CB-CD2 4.1Å; K244-L288 HydrophobicContact CB-CB 4.29Å; K244-L288 HydrophobicContact CB-CD1 4.24Å; K244-L288 HydrophobicContact CB-CD2 4.49Å; I256-L288 HydrophobicContact CB-CD2 4.22Å; I256-L288 HydrophobicContact CD1-CB 4.17Å; I256-L288 HydrophobicContact CD1-CD2 4.28Å; I256-L288 HydrophobicContact CD1-CG 4.03Å; I256-L288 VanDerWaalsContact CD1-O 3.26Å; I256-L288 WeakPolarHBondContact CD1-O 3.26Å; I256-L288 HydrophobicContact CG1-CD2 4.07Å; I256-L288 HydrophobicContact CG1-CG 4.37Å; V268-L288 HydrophobicContact CG1-CD1 3.87Å; P270-L288 HydrophobicContact CB-CD1 4.23Å; L288-L290 HydrophobicContact CD1-CD2 4.27Å; L288-L290 HydrophobicContact CG-CD2 4.22Å; L288-A307 CarbonylContact O-C 3.51Å; L288-A307 WeakPolarHBondContact O-CA 3.41Å; L288-N308 PolarHBondContact N-O 2.89Å; L288-N308 PolarHBondContact O-N 2.88Å
289	V	98.9	Very high	92.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.3	178.8	-173.6	0	0	0	0	109.2	N269 V271 C305 V306 A307 L328 E331 I332 V335	N269-V289 HydrophobicContact CB-CB 4.3Å; N269-V289 WeakPolarHBondContact CB-O 3.17Å; N269-V289 PolarHBondContact N-O 2.8Å; N269-V289 PolarHBondContact ND2-O 3.26Å; N269-V289 PolarHBondContact O-N 2.67Å; V271-V289 HydrophobicContact CG2-CG2 4.38Å; V289-C305 WeakPolarHBondContact CG1-SG 3.28Å; V289-V306 WeakPolarHBondContact CA-O 3.28Å; V289-A307 HydrophobicContact CG1-CB 4.5Å; V289-A307 HydrophobicContact CG2-CB 4.04Å; V289-L328 HydrophobicContact CG2-CD1 3.89Å; V289-E331 HydrophobicContact CB-CG 4.35Å; V289-E331 HydrophobicContact CG2-CB 4.36Å; V289-E331 HydrophobicContact CG2-CG 3.97Å; V289-I332 HydrophobicContact CG1-CG1 4.36Å; V289-I332 HydrophobicContact CG2-CG1 4.07Å; V289-V335 HydrophobicContact CG1-CB 4.15Å; V289-V335 HydrophobicContact CG1-CG1 3.99Å; V289-V335 HydrophobicContact CG1-CG2 4.35Å
290	L	98.9	Very high	91.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.1	173.5	-55.9	-165.9	0	0	0	110.4	E242 I256 F258 L265 S267 V268 L288 L292 C305 V306	E242-L290 HydrophobicContact CB-CD1 4.15Å; E242-L290 HydrophobicContact CB-CD2 4.11Å; E242-L290 HydrophobicContact CG-CD1 4.1Å; E242-L290 HydrophobicContact CG-CD2 4.13Å; I256-L290 HydrophobicContact CB-CD1 3.7Å; I256-L290 HydrophobicContact CB-CG 4.01Å; I256-L290 HydrophobicContact CD1-CG 4Å; I256-L290 HydrophobicContact CG2-CD1 3.48Å; I256-L290 VanDerWaalsContact CG2-CD1 3.48Å; I256-L290 HydrophobicContact CG2-CG 3.97Å; F258-L290 HydrophobicContact CD1-CD1 4.14Å; F258-L290 HydrophobicContact CE1-CD1 4.19Å; L265-L290 HydrophobicContact CD1-CB 4.24Å; L265-L290 HydrophobicContact CD1-CD1 4.2Å; L265-L290 HydrophobicContact CD1-CD2 4.26Å; L265-L290 HydrophobicContact CD1-CG 4.48Å; S267-L290 WeakPolarHBondContact O-CA 3.49Å; V268-L290 HydrophobicContact CB-CD2 4.02Å; V268-L290 HydrophobicContact CG1-CD2 3.76Å; V268-L290 HydrophobicContact CG2-CD2 3.93Å; L288-L290 HydrophobicContact CD1-CD2 4.27Å; L288-L290 HydrophobicContact CG-CD2 4.22Å; L290-L292 HydrophobicContact CB-CD2 3.99Å; L290-L292 HydrophobicContact CB-CG 4.21Å; L290-L292 HydrophobicContact CD1-CD2 4.22Å; L290-C305 WeakPolarHBondContact O-CA 3.36Å; L290-V306 PolarHBondContact N-O 3.01Å; L290-V306 PolarHBondContact O-N 3.48Å
291	L	98.7	Very high	90.7	Very high	30 Å²	30	38.3 Å²	38.3	16%	0.157	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.6	165	-167.5	67.6	0	0	0	108.7	L266 S267 A303 C305 V335	L266-L291 HydrophobicContact CB-CB 4.23Å; L266-L291 HydrophobicContact CB-CD2 4.24Å; L266-L291 HydrophobicContact CB-CG 4.29Å; L266-L291 WeakPolarHBondContact CB-O 3.18Å; L266-L291 HydrophobicContact CD1-CD2 4.04Å; L266-L291 HydrophobicContact CD1-CG 4.13Å; L266-L291 PolarHBondContact N-O 3.29Å; S267-L291 PolarHBondContact N-O 3.34Å; S267-L291 PolarHBondContact O-N 2.97Å; S267-L291 VanDerWaalsContact O-N 3.09Å; S267-L291 WeakPolarHBondContact OG-CB 3.27Å; L291-A303 HydrophobicContact CD1-CB 3.76Å; L291-A303 HydrophobicContact CD2-CB 4.39Å; L291-A303 HydrophobicContact CG-CB 3.91Å; L291-C305 HydrophobicContact CD1-CB 4.18Å; L291-V335 HydrophobicContact CB-CG1 3.91Å; L291-V335 HydrophobicContact CD1-CG1 4.32Å
292	L	98.4	Very high	90.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.2	-173.3	-58	-177.1	0	0	0	110.8	F258 F263 S264 L265 L290 P294 A303 I304 V306	F258-L292 HydrophobicContact CB-CD1 4.03Å; F258-L292 HydrophobicContact CD1-CD1 4.04Å; F258-L292 HydrophobicContact CD1-CD2 3.65Å; F258-L292 HydrophobicContact CE1-CD2 3.64Å; F258-L292 HydrophobicContact CG-CD1 4.04Å; F258-L292 HydrophobicContact CG-CD2 4.17Å; F258-L292 HydrophobicContact CZ-CD2 4.16Å; F263-L292 HydrophobicContact CB-CB 4.27Å; F263-L292 HydrophobicContact CD1-CB 3.93Å; F263-L292 HydrophobicContact CD1-CD1 4.46Å; F263-L292 HydrophobicContact CG-CB 4.34Å; F263-L292 HydrophobicContact CG-CD1 4.36Å; S264-L292 CarbonylContact O-C 3.57Å; S264-L292 WeakPolarHBondContact O-CA 3.46Å; L265-L292 HydrophobicContact CD1-CD2 3.8Å; L290-L292 HydrophobicContact CB-CD2 3.99Å; L290-L292 HydrophobicContact CB-CG 4.21Å; L290-L292 HydrophobicContact CD1-CD2 4.22Å; L292-P294 WeakPolarHBondContact O-CD 3.48Å; L292-A303 CarbonylContact O-C 3.5Å; L292-A303 VanDerWaalsContact O-CA 3.32Å; L292-A303 WeakPolarHBondContact O-CA 3.47Å; L292-I304 PolarHBondContact N-O 3.27Å; L292-I304 PolarHBondContact O-N 2.61Å; L292-V306 HydrophobicContact CD1-CG2 3.92Å
293	Q	96.9	Very high	90.1	Very high	56 Å²	56	37.1 Å²	37.1	26%	0.262	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119	172.1	-173.7	65.4	52.4	0	0	109.9	F263 S264 L266 K295 S301	F263-Q293 CarbonylContact C-O 3.56Å; F263-Q293 VanDerWaalsContact CA-O 3.29Å; F263-Q293 WeakPolarHBondContact CA-O 3.34Å; S264-Q293 PolarHBondContact N-O 3.05Å; S264-Q293 PolarHBondContact O-N 3.13Å; L266-Q293 HydrophobicContact CD1-CB 4.05Å; L266-Q293 HydrophobicContact CD2-CB 4.05Å; L266-Q293 HydrophobicContact CG-CB 4Å; Q293-K295 PolarHBondContact O-N 3.05Å; Q293-S301 PolarHBondContact NE2-O 2.72Å; Q293-S301 PolarHBondContact NE2-OG 3.23Å
294	P	95.9	Very high	90	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.032	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	129.8	170.1	-25.6	35.7	0	0	0	111.8	F165 F263 L292 I296 P302 I304 L542	F165-P294 HydrophobicContact CD1-CB 3.95Å; F165-P294 HydrophobicContact CD1-CG 4.16Å; F165-P294 HydrophobicContact CD2-CB 4.06Å; F165-P294 HydrophobicContact CE1-CB 3.85Å; F165-P294 HydrophobicContact CE1-CG 4.09Å; F165-P294 HydrophobicContact CE2-CB 3.93Å; F165-P294 HydrophobicContact CG-CB 4.04Å; F165-P294 HydrophobicContact CZ-CB 3.83Å; F165-P294 HydrophobicContact CZ-CG 4.49Å; F263-P294 HydrophobicContact CD1-CG 4.47Å; F263-P294 HydrophobicContact CE1-CG 4.3Å; L292-P294 WeakPolarHBondContact O-CD 3.48Å; P294-I296 PolarHBondContact O-N 3.29Å; P294-P302 WeakPolarHBondContact CD-O 3.27Å; P294-I304 HydrophobicContact CG-CD1 4Å; P294-I304 HydrophobicContact CG-CG1 4.06Å; P294-L542 HydrophobicContact CG-CD2 4.4Å
295	K	93.9	Very high	90	Very high	103 Å²	103	32.4 Å²	32.4	45%	0.448	22%	0.218	S	C	.	.			trans	-85.7	94.6	172	-71.1	-176.4	176.2	177	0	109.3	H260 K262 F263 S264 Q293	H260-K295 PolarHBondContact O-NZ 2.98Å; K262-K295 PolarHBondContact O-N 2.9Å; F263-K295 WeakPolarHBondContact O-CE 3.3Å; S264-K295 WeakPolarHBondContact OG-CE 3.38Å; Q293-K295 PolarHBondContact O-N 3.05Å
296	I	87.5	Confident	90	Very high	48 Å²	48	32.1 Å²	32.1	25%	0.246	22%	0.216	C	C	.	.			trans	-126	163.3	175.3	56.2	162.8	0	0	0	110	F165 P294 C298 S301 L544	F165-I296 HydrophobicContact CB-CG2 4.16Å; F165-I296 HydrophobicContact CD2-CG2 3.37Å; F165-I296 HydrophobicContact CE2-CG2 4.09Å; F165-I296 HydrophobicContact CG-CG2 4.1Å; P294-I296 PolarHBondContact O-N 3.29Å; I296-C298 VanDerWaalsContact C-N 3.27Å; I296-C298 HydrophobicContact CD1-CB 3.96Å; I296-C298 WeakPolarHBondContact CD1-O 3.06Å; I296-C298 WeakPolarHBondContact CG1-O 3.48Å; I296-C298 PolarHBondContact O-N 3.21Å; I296-S301 VanDerWaalsContact CD1-CB 3.47Å; I296-L544 HydrophobicContact CD1-CD1 3.26Å; I296-L544 HydrophobicContact CD1-CD2 4Å; I296-L544 HydrophobicContact CD1-CG 4.24Å
297	A	71.7	Confident	90	Very high	115 Å²	115	32.1 Å²	32.1	95%	0.95	22%	0.216	S	C	*	.	S	Bend	trans	-68.7	-25.2	178.3	0	0	0	0	0	113.1
298	C	63	Low	90.1	Very high	68 Å²	68	32.1 Å²	32.1	46%	0.459	22%	0.216	S	C	.	.	S	Bend	trans	-83.5	130.4	178.8	-171.1	0	0	0	0	111.7	I296 A300	I296-C298 VanDerWaalsContact C-N 3.27Å; I296-C298 HydrophobicContact CD1-CB 3.96Å; I296-C298 WeakPolarHBondContact CD1-O 3.06Å; I296-C298 WeakPolarHBondContact CG1-O 3.48Å; I296-C298 PolarHBondContact O-N 3.21Å; C298-A300 VanDerWaalsContact C-N 3.26Å; C298-A300 PolarHBondContact O-N 3.4Å
299	A	58.8	Low	90.1	Very high	111 Å²	111	32 Å²	32	92%	0.917	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-3.7	-168.8	0	0	0	0	0	115.8
300	A	70.1	Confident	90	Very high	81 Å²	81	32.8 Å²	32.8	67%	0.669	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.6	40	-167.8	0	0	0	0	0	114.6	C298	C298-A300 VanDerWaalsContact C-N 3.26Å; C298-A300 PolarHBondContact O-N 3.4Å
301	S	82.4	Confident	90	Very high	12 Å²	12	32.8 Å²	32.8	8%	0.084	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-77.8	140.1	170.1	49.5	0	0	0	0	112.3	Q293 I296	Q293-S301 PolarHBondContact NE2-O 2.72Å; Q293-S301 PolarHBondContact NE2-OG 3.23Å; I296-S301 VanDerWaalsContact CD1-CB 3.47Å
302	P	89.4	Confident	90	Very high	28 Å²	28	32 Å²	32	18%	0.182	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-64.5	147.2	169.1	28.9	-33.3	0	0	0	109.8	P294 P345 L542	P294-P302 WeakPolarHBondContact CD-O 3.27Å; P302-P345 HydrophobicContact CG-CG 4.34Å; P302-L542 HydrophobicContact CG-CD1 4.18Å; P302-L542 HydrophobicContact CG-CD2 4.04Å
303	A	94.9	Very high	90	Very high	13 Å²	13	38.4 Å²	38.4	11%	0.107	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-63.2	162.1	168.4	0	0	0	0	0	110.6	L266 L291 L292 C344 P345	L266-A303 HydrophobicContact CD1-CB 3.94Å; L291-A303 HydrophobicContact CD1-CB 3.76Å; L291-A303 HydrophobicContact CD2-CB 4.39Å; L291-A303 HydrophobicContact CG-CB 3.91Å; L292-A303 CarbonylContact O-C 3.5Å; L292-A303 VanDerWaalsContact O-CA 3.32Å; L292-A303 WeakPolarHBondContact O-CA 3.47Å; A303-C344 VanDerWaalsContact O-CB 3.26Å; A303-C344 WeakPolarHBondContact O-CB 3.35Å; A303-P345 WeakPolarHBondContact O-CD 3.19Å
304	I	97.4	Very high	90	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.7	174.3	-57.1	-176.8	0	0	0	107.9	F165 F167 F263 L292 P294 V306 P345 L542	F165-I304 HydrophobicContact CD1-CD1 4.35Å; F165-I304 HydrophobicContact CE1-CD1 4.25Å; F167-I304 HydrophobicContact CD1-CD1 4.22Å; F167-I304 HydrophobicContact CE1-CD1 3.57Å; F167-I304 HydrophobicContact CE2-CD1 4.47Å; F167-I304 HydrophobicContact CZ-CD1 3.72Å; F167-I304 HydrophobicContact CZ-CG2 4.35Å; F263-I304 HydrophobicContact CE1-CD1 4.19Å; L292-I304 PolarHBondContact N-O 3.27Å; L292-I304 PolarHBondContact O-N 2.61Å; P294-I304 HydrophobicContact CG-CD1 4Å; P294-I304 HydrophobicContact CG-CG1 4.06Å; I304-V306 HydrophobicContact CG2-CG2 4.15Å; I304-P345 WeakPolarHBondContact CA-O 3.33Å; I304-L542 HydrophobicContact CD1-CD2 4.1Å; I304-L542 HydrophobicContact CG1-CD2 4.3Å
305	C	98.6	Very high	90	Very high	0 Å²	0	40 Å²	40	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	115.2	174.8	177.4	0	0	0	0	109.2	V289 L290 L291 A336 C344 P345 I346 V347	V289-C305 WeakPolarHBondContact CG1-SG 3.28Å; L290-C305 WeakPolarHBondContact O-CA 3.36Å; L291-C305 HydrophobicContact CD1-CB 4.18Å; C305-A336 HydrophobicContact CB-CB 3.88Å; C305-C344 VanDerWaalsContact CB-SG 3.6Å; C305-P345 PolarHBondContact N-O 3.06Å; C305-I346 HydrophobicContact CB-CG1 4.07Å; C305-I346 CarbonylContact O-C 3.48Å; C305-I346 WeakPolarHBondContact O-CA 3.5Å; C305-V347 PolarHBondContact O-N 3.05Å
306	V	98.9	Very high	90.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.5	177	-176.9	0	0	0	0	109.1	V215 I256 V289 L290 L292 I304 V347	V215-V306 HydrophobicContact CG1-CG1 3.94Å; V215-V306 HydrophobicContact CG1-CG2 4.43Å; I256-V306 HydrophobicContact CD1-CG1 4.27Å; I256-V306 WeakPolarHBondContact CD1-O 3.4Å; I256-V306 HydrophobicContact CG2-CG1 4.07Å; V289-V306 WeakPolarHBondContact CA-O 3.28Å; L290-V306 PolarHBondContact N-O 3.01Å; L290-V306 PolarHBondContact O-N 3.48Å; L292-V306 HydrophobicContact CD1-CG2 3.92Å; I304-V306 HydrophobicContact CG2-CG2 4.15Å; V306-V347 CarbonylContact C-O 3.55Å; V306-V347 WeakPolarHBondContact CA-O 3.19Å
307	A	98.9	Very high	90.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	145.6	176.9	0	0	0	0	0	111.2	L288 V289 L328 I332 V347 M348 C349	L288-A307 CarbonylContact O-C 3.51Å; L288-A307 WeakPolarHBondContact O-CA 3.41Å; V289-A307 HydrophobicContact CG1-CB 4.5Å; V289-A307 HydrophobicContact CG2-CB 4.04Å; A307-L328 HydrophobicContact CB-CD1 4.49Å; A307-I332 HydrophobicContact CB-CD1 3.56Å; A307-I332 HydrophobicContact CB-CG1 3.83Å; A307-V347 PolarHBondContact N-O 2.99Å; A307-M348 HydrophobicContact CB-CB 4.33Å; A307-M348 HydrophobicContact CB-CG 4.12Å; A307-C349 PolarHBondContact O-N 2.91Å
308	N	98.9	Very high	91.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	140.9	176.3	-173.6	16.2	0	0	0	110.1	C217 L218 Q219 A255 I256 G287 L288 C349	C217-N308 HydrophobicContact CB-CB 4.05Å; L218-N308 PolarHBondContact N-ND2 2.78Å; L218-N308 PolarHBondContact O-ND2 2.85Å; Q219-N308 PolarHBondContact NE2-OD1 3.39Å; A255-N308 PolarHBondContact O-ND2 2.78Å; I256-N308 HydrophobicContact CD1-CB 3.63Å; I256-N308 HydrophobicContact CG1-CB 3.55Å; G287-N308 CarbonylContact C-O 3.52Å; G287-N308 VanDerWaalsContact CA-O 3.23Å; G287-N308 WeakPolarHBondContact CA-O 3.39Å; L288-N308 PolarHBondContact N-O 2.89Å; L288-N308 PolarHBondContact O-N 2.88Å; N308-C349 WeakPolarHBondContact CA-O 3.43Å
309	T	98.9	Very high	93.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	160	178.6	-167.5	0	0	0	0	112.4	Q219 F273 V286 L311 L328 C349 G350 D351 F352	Q219-T309 WeakPolarHBondContact CG-O 3.22Å; F273-T309 WeakPolarHBondContact CE2-OG1 3.46Å; V286-T309 PolarHBondContact O-OG1 2.79Å; T309-L311 HydrophobicContact CG2-CD2 4.17Å; T309-L311 HydrophobicContact CG2-CG 4.2Å; T309-L328 HydrophobicContact CG2-CD2 3.64Å; T309-C349 PolarHBondContact N-O 2.9Å; T309-G350 WeakPolarHBondContact O-CA 3.23Å; T309-D351 PolarHBondContact O-N 2.73Å; T309-D351 VanDerWaalsContact O-N 3.11Å; T309-F352 HydrophobicContact CG2-CE1 4.21Å; T309-F352 HydrophobicContact CG2-CE2 4.29Å; T309-F352 HydrophobicContact CG2-CZ 4Å
310	H	98.9	Very high	95.4	Very high	17 Å²	17	27.8 Å²	27.8	8%	0.079	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	98.7	163.3	-173.3	172.7	0	0	0	108.2	Q219 E220 N285 D351 N353	Q219-H310 HydrophobicContact CB-CB 4.16Å; Q219-H310 HydrophobicContact CG-CB 4.13Å; E220-H310 IonicContact OE1-CE1 3.59Å; E220-H310 PolarHBondContact OE1-CE1 3.35Å; N285-H310 PolarHBondContact ND2-O 3.11Å; H310-D351 WeakPolarHBondContact CA-O 3.5Å; H310-D351 IonicContact NE2-OD2 2.82Å; H310-N353 PolarHBondContact CD2-ND2 3.27Å; H310-N353 PolarHBondContact NE2-ND2 2.81Å; H310-N353 VanDerWaalsContact NE2-ND2 3.16Å
311	L	98.8	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.11	C	C	.	.			trans	-69.3	160.5	-178.3	-62.4	-171.2	0	0	0	111.7	F273 N285 T309 Y313 Q324 L325 D351 F352 N353 L360	F273-L311 HydrophobicContact CE2-CD2 4.04Å; F273-L311 HydrophobicContact CZ-CD2 4.37Å; N285-L311 PolarHBondContact ND2-O 2.93Å; T309-L311 HydrophobicContact CG2-CD2 4.17Å; T309-L311 HydrophobicContact CG2-CG 4.2Å; L311-Y313 PolarHBondContact O-N 2.79Å; L311-Q324 HydrophobicContact CD2-CB 3.75Å; L311-L325 HydrophobicContact CD1-CB 4.46Å; L311-D351 PolarHBondContact N-O 2.79Å; L311-F352 HydrophobicContact CD1-CB 4.25Å; L311-F352 HydrophobicContact CD1-CD1 3.7Å; L311-F352 HydrophobicContact CD1-CE1 4.48Å; L311-F352 HydrophobicContact CD1-CG 4.3Å; L311-F352 HydrophobicContact CG-CD1 4.36Å; L311-N353 PolarHBondContact O-ND2 3.41Å; L311-L360 HydrophobicContact CD1-CD1 4.27Å
312	L	98.7	Very high	97.5	Very high	14 Å²	14	23.3 Å²	23.3	7%	0.073	11%	0.106	C	C	.	.			trans	-49.9	129.6	178.4	175.4	64.7	0	0	0	112.2	R283 N285 N314 R317 I320 K321 N353	R283-L312 HydrophobicContact CB-CD1 4.42Å; R283-L312 HydrophobicContact CG-CD1 3.93Å; R283-L312 HydrophobicContact CG-CD2 4.09Å; N285-L312 PolarHBondContact ND2-N 2.9Å; N285-L312 WeakPolarHBondContact OD1-CA 3.22Å; L312-N314 HydrophobicContact CD1-CB 4.21Å; L312-N314 HydrophobicContact CD2-CB 4.15Å; L312-N314 HydrophobicContact CG-CB 4.06Å; L312-R317 HydrophobicContact CD2-CB 3.56Å; L312-R317 HydrophobicContact CD2-CG 4.36Å; L312-I320 HydrophobicContact CB-CG2 4.45Å; L312-I320 HydrophobicContact CD2-CB 3.83Å; L312-I320 HydrophobicContact CD2-CD1 4.05Å; L312-I320 HydrophobicContact CD2-CG1 4.46Å; L312-I320 HydrophobicContact CD2-CG2 3.82Å; L312-K321 HydrophobicContact CB-CG 4.33Å; L312-K321 WeakPolarHBondContact O-CE 3.44Å; L312-N353 WeakPolarHBondContact O-CB 3.38Å
313	Y	97.8	Very high	98	Very high	133 Å²	133	22 Å²	22	52%	0.522	10%	0.098	S	C	.	.			trans	-64.8	-47.1	175.2	173.5	-100.6	0	0	0	113.7	L311 P315 K321 N353 Q382	L311-Y313 PolarHBondContact O-N 2.79Å; Y313-P315 VanDerWaalsContact O-CD 3.3Å; Y313-P315 WeakPolarHBondContact O-CD 3.5Å; Y313-K321 PolarHBondContact O-NZ 3.09Å; Y313-N353 VanDerWaalsContact CD2-OD1 3.27Å; Y313-N353 WeakPolarHBondContact CD2-OD1 3.32Å; Y313-Q382 PolarHBondContact O-OE1 3Å; Y313-Q382 VanDerWaalsContact O-OE1 3.09Å
314	N	96.9	Very high	98.2	Very high	61 Å²	61	21.4 Å²	21.4	33%	0.326	9%	0.093	S	C	.	.			trans	-45.6	111.3	-167.1	-171.9	-34.6	0	0	0	113.4	L312 R316 R317	L312-N314 HydrophobicContact CD1-CB 4.21Å; L312-N314 HydrophobicContact CD2-CB 4.15Å; L312-N314 HydrophobicContact CG-CB 4.06Å; N314-R316 PolarHBondContact O-N 3.36Å; N314-R316 VanDerWaalsContact O-N 3.08Å; N314-R316 WeakPolarHBondContact OD1-CB 3.29Å; N314-R316 PolarHBondContact OD1-N 2.91Å; N314-R317 HydrophobicContact CB-CB 4.4Å; N314-R317 HydrophobicContact CB-CG 4.34Å; N314-R317 PolarHBondContact O-N 3.36Å
315	P	95.6	Very high	98.3	Very high	33 Å²	33	21.4 Å²	21.4	21%	0.214	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.6	-175.2	-29.1	36.6	0	0	0	114.4	Y313 G377 Q382 E383	Y313-P315 VanDerWaalsContact O-CD 3.3Å; Y313-P315 WeakPolarHBondContact O-CD 3.5Å; P315-G377 WeakPolarHBondContact O-CA 3.29Å; P315-Q382 HydrophobicContact CB-CB 3.87Å; P315-Q382 HydrophobicContact CG-CB 4.05Å; P315-E383 HydrophobicContact CB-CB 4.04Å
316	R	95.9	Very high	98.3	Very high	135 Å²	135	21.4 Å²	21.4	51%	0.509	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.7	-173.7	-51.2	-168.4	65.5	179.2	-3.3	113.9	N314 I376 E383	N314-R316 PolarHBondContact O-N 3.36Å; N314-R316 VanDerWaalsContact O-N 3.08Å; N314-R316 WeakPolarHBondContact OD1-CB 3.29Å; N314-R316 PolarHBondContact OD1-N 2.91Å; R316-I376 VanDerWaalsContact O-CD1 3.27Å; R316-I376 WeakPolarHBondContact O-CD1 3.48Å; R316-I376 WeakPolarHBondContact O-CG1 3.4Å; R316-E383 WeakPolarHBondContact CG-OE2 3.19Å; R316-E383 IonicContact NE-OE1 2.75Å
317	R	97.3	Very high	98.3	Very high	51 Å²	51	21.8 Å²	21.8	19%	0.192	9%	0.094	C	C	.	.			trans	-117.3	51.1	-172.8	-65.5	-56.6	-54.5	-85	7.4	112.2	L312 N314 D319 I320 K321	L312-R317 HydrophobicContact CD2-CB 3.56Å; L312-R317 HydrophobicContact CD2-CG 4.36Å; N314-R317 HydrophobicContact CB-CB 4.4Å; N314-R317 HydrophobicContact CB-CG 4.34Å; N314-R317 PolarHBondContact O-N 3.36Å; R317-D319 WeakPolarHBondContact CA-OD1 3.45Å; R317-D319 IonicContact CZ-OD1 3.38Å; R317-D319 IonicContact CZ-OD2 2.75Å; R317-D319 IonicContact NE-OD1 2.82Å; R317-D319 PolarHBondContact NE-OD1 2.82Å; R317-D319 IonicContact NE-OD2 3.93Å; R317-D319 PolarHBondContact NE-OD2 2.89Å; R317-D319 IonicContact NH2-OD1 3.06Å; R317-D319 IonicContact NH2-OD2 3.21Å; R317-D319 PolarHBondContact NH2-OD2 2.85Å; R317-D319 PolarHBondContact O-N 3.46Å; R317-I320 HydrophobicContact CB-CB 4.39Å; R317-I320 HydrophobicContact CB-CD1 4.36Å; R317-I320 HydrophobicContact CB-CG1 4.35Å; R317-I320 VanDerWaalsContact NH2-CG1 3.31Å; R317-I320 PolarHBondContact O-N 2.86Å; R317-I320 VanDerWaalsContact O-N 3.11Å; R317-K321 PolarHBondContact O-N 3.12Å; R317-K321 VanDerWaalsContact O-N 3.12Å
318	G	98.2	Very high	98.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64	-24.6	175.2	0	0	0	0	0	114.5	I320 K321 L322 I376	G318-I320 VanDerWaalsContact C-N 3.31Å; G318-K321 PolarHBondContact O-N 3.33Å; G318-L322 PolarHBondContact O-N 2.86Å; G318-I376 WeakPolarHBondContact CA-O 3.31Å; G318-I376 PolarHBondContact N-O 3.34Å
319	D	98.3	Very high	98.3	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-56.5	-45.6	168.4	56.2	-26.5	0	0	0	111.5	L280 R317 T323 I376 R390 L392	L280-D319 HydrophobicContact CD1-CB 4.17Å; L280-D319 WeakPolarHBondContact CD1-OD2 3.46Å; R317-D319 WeakPolarHBondContact CA-OD1 3.45Å; R317-D319 IonicContact CZ-OD1 3.38Å; R317-D319 IonicContact CZ-OD2 2.75Å; R317-D319 IonicContact NE-OD1 2.82Å; R317-D319 PolarHBondContact NE-OD1 2.82Å; R317-D319 IonicContact NE-OD2 3.93Å; R317-D319 PolarHBondContact NE-OD2 2.89Å; R317-D319 IonicContact NH2-OD1 3.06Å; R317-D319 IonicContact NH2-OD2 3.21Å; R317-D319 PolarHBondContact NH2-OD2 2.85Å; R317-D319 PolarHBondContact O-N 3.46Å; D319-T323 PolarHBondContact O-N 3.44Å; D319-T323 PolarHBondContact O-OG1 3.33Å; D319-I376 HydrophobicContact CB-CG2 4.06Å; D319-R390 IonicContact OD2-NH2 3.92Å; D319-R390 PolarHBondContact OD2-NH2 3.17Å; D319-L392 HydrophobicContact CB-CD2 3.83Å
320	I	98.7	Very high	98.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.9	-47.2	174.8	-60.9	-173.2	0	0	0	110.5	L280 D282 R283 L312 R317 G318 L322 T323 Q324	L280-I320 HydrophobicContact CD1-CG1 4.11Å; L280-I320 WeakPolarHBondContact O-CD1 3.36Å; L280-I320 WeakPolarHBondContact O-CG1 3.3Å; D282-I320 WeakPolarHBondContact OD1-CD1 3.22Å; R283-I320 HydrophobicContact CB-CG2 4.49Å; R283-I320 HydrophobicContact CG-CD1 3.68Å; R283-I320 HydrophobicContact CG-CG2 4.28Å; L312-I320 HydrophobicContact CB-CG2 4.45Å; L312-I320 HydrophobicContact CD2-CB 3.83Å; L312-I320 HydrophobicContact CD2-CD1 4.05Å; L312-I320 HydrophobicContact CD2-CG1 4.46Å; L312-I320 HydrophobicContact CD2-CG2 3.82Å; R317-I320 HydrophobicContact CB-CB 4.39Å; R317-I320 HydrophobicContact CB-CD1 4.36Å; R317-I320 HydrophobicContact CB-CG1 4.35Å; R317-I320 VanDerWaalsContact NH2-CG1 3.31Å; R317-I320 PolarHBondContact O-N 2.86Å; R317-I320 VanDerWaalsContact O-N 3.11Å; G318-I320 VanDerWaalsContact C-N 3.31Å; I320-L322 PolarHBondContact O-N 2.79Å; I320-T323 PolarHBondContact O-N 3.12Å; I320-T323 VanDerWaalsContact O-N 3.09Å; I320-Q324 HydrophobicContact CG2-CG 3.82Å; I320-Q324 WeakPolarHBondContact O-CB 3.21Å; I320-Q324 VanDerWaalsContact O-CG 3.29Å; I320-Q324 WeakPolarHBondContact O-CG 3.37Å; I320-Q324 PolarHBondContact O-N 3.45Å
321	K	98.8	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-56.6	-46.1	-177.9	-70.8	178.8	171.2	171.5	0	112.9	L312 Y313 R317 G318 T323 Q324 L325 N353 L360 S380	L312-K321 HydrophobicContact CB-CG 4.33Å; L312-K321 WeakPolarHBondContact O-CE 3.44Å; Y313-K321 PolarHBondContact O-NZ 3.09Å; R317-K321 PolarHBondContact O-N 3.12Å; R317-K321 VanDerWaalsContact O-N 3.12Å; G318-K321 PolarHBondContact O-N 3.33Å; K321-T323 VanDerWaalsContact C-N 3.34Å; K321-Q324 PolarHBondContact O-N 3.47Å; K321-L325 WeakPolarHBondContact O-CB 3.43Å; K321-L325 PolarHBondContact O-N 3.24Å; K321-N353 PolarHBondContact NZ-O 3.36Å; K321-L360 HydrophobicContact CB-CD1 3.68Å; K321-S380 VanDerWaalsContact NZ-CB 3.27Å; K321-S380 PolarHBondContact NZ-OG 2.95Å
322	L	98.8	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.9	-38.7	176.8	-77.4	168.6	0	0	0	111.9	G318 I320 L325 A326 L360 F363 L369 V379 L392 I396 L445	G318-L322 PolarHBondContact O-N 2.86Å; I320-L322 PolarHBondContact O-N 2.79Å; L322-L325 PolarHBondContact O-N 3.07Å; L322-A326 WeakPolarHBondContact O-CB 3.48Å; L322-A326 PolarHBondContact O-N 3.39Å; L322-L360 HydrophobicContact CD2-CB 4.45Å; L322-L360 HydrophobicContact CD2-CG 4.36Å; L322-F363 HydrophobicContact CD2-CD1 4.21Å; L322-L369 HydrophobicContact CD1-CD2 4.21Å; L322-L369 HydrophobicContact CD2-CD2 4.05Å; L322-V379 HydrophobicContact CD1-CG1 3.77Å; L322-V379 HydrophobicContact CD1-CG2 3.94Å; L322-V379 HydrophobicContact CD2-CG1 4.28Å; L322-V379 HydrophobicContact CG-CG1 3.64Å; L322-L392 HydrophobicContact CD1-CD1 3.83Å; L322-I396 HydrophobicContact CB-CD1 4.44Å; L322-I396 HydrophobicContact CD1-CD1 3.88Å; L322-L445 HydrophobicContact CD2-CD1 4.43Å
323	T	98.9	Very high	98.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.9	-42.2	177.5	-49.8	0	0	0	0	111.4	L280 L281 D319 I320 K321 L325 A326 M327 W397 L401	L280-T323 HydrophobicContact CD2-CG2 4.46Å; L281-T323 HydrophobicContact CD1-CG2 4.02Å; L281-T323 HydrophobicContact CD2-CG2 3.74Å; L281-T323 HydrophobicContact CG-CG2 4.12Å; D319-T323 PolarHBondContact O-N 3.44Å; D319-T323 PolarHBondContact O-OG1 3.33Å; I320-T323 PolarHBondContact O-N 3.12Å; I320-T323 VanDerWaalsContact O-N 3.09Å; K321-T323 VanDerWaalsContact C-N 3.34Å; T323-L325 VanDerWaalsContact C-N 3.34Å; T323-L325 PolarHBondContact O-N 3.08Å; T323-A326 PolarHBondContact O-N 2.84Å; T323-M327 VanDerWaalsContact O-CG 3.29Å; T323-M327 WeakPolarHBondContact O-CG 3Å; T323-M327 PolarHBondContact O-N 2.99Å; T323-W397 HydrophobicContact CG2-CB 3.73Å; T323-W397 HydrophobicContact CG2-CD2 4.21Å; T323-W397 HydrophobicContact CG2-CE3 4.02Å; T323-W397 HydrophobicContact CG2-CG 4.14Å; T323-L401 HydrophobicContact CG2-CD2 3.57Å
324	Q	98.9	Very high	98.2	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-60.4	-44.4	174.4	-70.5	-178.1	-23.4	0	0	111.5	F273 N285 L311 I320 K321 M327 L328	F273-Q324 HydrophobicContact CB-CG 3.77Å; F273-Q324 HydrophobicContact CD1-CB 4.2Å; F273-Q324 HydrophobicContact CD1-CG 4.37Å; F273-Q324 HydrophobicContact CD2-CB 3.89Å; F273-Q324 HydrophobicContact CD2-CG 3.77Å; F273-Q324 HydrophobicContact CE1-CB 4.42Å; F273-Q324 WeakPolarHBondContact CE1-O 3.2Å; F273-Q324 HydrophobicContact CE2-CB 4.15Å; F273-Q324 HydrophobicContact CE2-CG 4.49Å; F273-Q324 HydrophobicContact CG-CB 3.95Å; F273-Q324 HydrophobicContact CG-CG 3.72Å; F273-Q324 HydrophobicContact CZ-CB 4.41Å; N285-Q324 PolarHBondContact OD1-NE2 3Å; L311-Q324 HydrophobicContact CD2-CB 3.75Å; I320-Q324 HydrophobicContact CG2-CG 3.82Å; I320-Q324 WeakPolarHBondContact O-CB 3.21Å; I320-Q324 VanDerWaalsContact O-CG 3.29Å; I320-Q324 WeakPolarHBondContact O-CG 3.37Å; I320-Q324 PolarHBondContact O-N 3.45Å; K321-Q324 PolarHBondContact O-N 3.47Å; Q324-M327 PolarHBondContact O-N 3.27Å; Q324-L328 PolarHBondContact O-N 3.13Å
325	L	98.9	Very high	98.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62	-44.7	175.2	178.3	61.4	0	0	0	111.4	L311 K321 L322 T323 M327 L328 L329 F352 L360 F363 I364	L311-L325 HydrophobicContact CD1-CB 4.46Å; K321-L325 WeakPolarHBondContact O-CB 3.43Å; K321-L325 PolarHBondContact O-N 3.24Å; L322-L325 PolarHBondContact O-N 3.07Å; T323-L325 VanDerWaalsContact C-N 3.34Å; T323-L325 PolarHBondContact O-N 3.08Å; L325-M327 VanDerWaalsContact C-N 3.3Å; L325-M327 PolarHBondContact O-N 3.11Å; L325-L328 PolarHBondContact O-N 3.28Å; L325-L329 HydrophobicContact CD1-CD1 4.15Å; L325-L329 HydrophobicContact CD1-CD2 4.48Å; L325-L329 HydrophobicContact CD1-CG 4.05Å; L325-L329 HydrophobicContact CG-CD1 3.89Å; L325-L329 HydrophobicContact CG-CG 4.25Å; L325-L329 WeakPolarHBondContact O-CB 3.22Å; L325-L329 VanDerWaalsContact O-CG 3.27Å; L325-L329 WeakPolarHBondContact O-CG 3.29Å; L325-L329 PolarHBondContact O-N 3.19Å; L325-F352 HydrophobicContact CD1-CE1 3.97Å; L325-L360 HydrophobicContact CD2-CD1 4.44Å; L325-L360 HydrophobicContact CD2-CD2 3.96Å; L325-L360 HydrophobicContact CD2-CG 3.88Å; L325-F363 HydrophobicContact CD2-CD1 3.67Å; L325-F363 HydrophobicContact CD2-CE1 4.03Å; L325-F363 HydrophobicContact CG-CE1 4.44Å; L325-I364 HydrophobicContact CD1-CD1 4.13Å; L325-I364 HydrophobicContact CD1-CG1 4.19Å; L325-I364 HydrophobicContact CD2-CD1 3.9Å; L325-I364 HydrophobicContact CD2-CG1 3.61Å; L325-I364 HydrophobicContact CG-CG1 4.5Å
326	A	98.9	Very high	98.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.5	-38.6	176.8	0	0	0	0	0	112.5	L322 T323 L329 A330 W397 C407	L322-A326 WeakPolarHBondContact O-CB 3.48Å; L322-A326 PolarHBondContact O-N 3.39Å; T323-A326 PolarHBondContact O-N 2.84Å; A326-L329 PolarHBondContact O-N 3.46Å; A326-A330 WeakPolarHBondContact O-CB 3.33Å; A326-A330 PolarHBondContact O-N 2.88Å; A326-W397 HydrophobicContact CB-CE3 4.4Å; A326-W397 HydrophobicContact CB-CH2 3.32Å; A326-W397 HydrophobicContact CB-CZ2 4Å; A326-W397 HydrophobicContact CB-CZ3 3.58Å; A326-C407 HydrophobicContact CB-CB 4.41Å
327	M	98.9	Very high	98.2	Very high	9 Å²	9	15.1 Å²	15.1	4%	0.044	8%	0.08	C	C	.	.	H	α-helix	trans	-62	-44	173.4	-67.8	171.6	75.2	0	0	112.3	V271 E272 F273 R275 L281 T323 Q324 L325 A330 E331 L401 I403	V271-M327 HydrophobicContact CG1-CB 4.36Å; E272-M327 VanDerWaalsContact O-CE 3.22Å; E272-M327 WeakPolarHBondContact O-CE 3.2Å; F273-M327 HydrophobicContact CB-CE 4.48Å; F273-M327 HydrophobicContact CB-SD 4.3Å; F273-M327 HydrophobicContact CD1-CB 3.82Å; F273-M327 HydrophobicContact CD1-CE 4.12Å; F273-M327 HydrophobicContact CD1-SD 3.94Å; F273-M327 HydrophobicContact CE1-CB 3.94Å; R275-M327 HydrophobicContact CG-CE 4.17Å; L281-M327 HydrophobicContact CD1-CE 4.37Å; L281-M327 HydrophobicContact CD1-SD 3.64Å; L281-M327 HydrophobicContact CD2-SD 4.07Å; T323-M327 VanDerWaalsContact O-CG 3.29Å; T323-M327 WeakPolarHBondContact O-CG 3Å; T323-M327 PolarHBondContact O-N 2.99Å; Q324-M327 PolarHBondContact O-N 3.27Å; L325-M327 VanDerWaalsContact C-N 3.3Å; L325-M327 PolarHBondContact O-N 3.11Å; M327-A330 PolarHBondContact O-N 3.35Å; M327-E331 PolarHBondContact O-N 2.96Å; M327-E331 VanDerWaalsContact O-N 3.13Å; M327-L401 HydrophobicContact CE-CD1 4.31Å; M327-L401 HydrophobicContact CG-CD1 4.24Å; M327-L401 HydrophobicContact CG-CD2 4.3Å; M327-L401 HydrophobicContact SD-CD1 4.14Å; M327-I403 HydrophobicContact CB-CD1 4.13Å; M327-I403 HydrophobicContact CG-CD1 3.67Å
328	L	98.9	Very high	97.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.4	-44.2	176.4	-176.8	65.7	0	0	0	111.8	V271 F273 V289 A307 T309 Q324 L325 A330 E331 I332 M348	V271-L328 HydrophobicContact CG2-CD1 4.4Å; F273-L328 HydrophobicContact CE1-CB 4.23Å; F273-L328 HydrophobicContact CZ-CB 4.22Å; V289-L328 HydrophobicContact CG2-CD1 3.89Å; A307-L328 HydrophobicContact CB-CD1 4.49Å; T309-L328 HydrophobicContact CG2-CD2 3.64Å; Q324-L328 PolarHBondContact O-N 3.13Å; L325-L328 PolarHBondContact O-N 3.28Å; L328-A330 VanDerWaalsContact C-N 3.31Å; L328-A330 PolarHBondContact O-N 3.29Å; L328-E331 PolarHBondContact O-N 3Å; L328-I332 HydrophobicContact CD1-CD1 4.44Å; L328-I332 HydrophobicContact CG-CD1 3.94Å; L328-I332 VanDerWaalsContact O-CG1 3.26Å; L328-I332 WeakPolarHBondContact O-CG1 3.36Å; L328-I332 PolarHBondContact O-N 2.85Å; L328-M348 HydrophobicContact CD2-CG 4.44Å; L328-M348 HydrophobicContact CD2-SD 4.01Å
329	L	98.8	Very high	97.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.8	-36.4	178.3	-68.6	173.9	0	0	0	111.9	L325 A326 I332 S333 M348 F363 C407 H447 F449	L325-L329 HydrophobicContact CD1-CD1 4.15Å; L325-L329 HydrophobicContact CD1-CD2 4.48Å; L325-L329 HydrophobicContact CD1-CG 4.05Å; L325-L329 HydrophobicContact CG-CD1 3.89Å; L325-L329 HydrophobicContact CG-CG 4.25Å; L325-L329 WeakPolarHBondContact O-CB 3.22Å; L325-L329 VanDerWaalsContact O-CG 3.27Å; L325-L329 WeakPolarHBondContact O-CG 3.29Å; L325-L329 PolarHBondContact O-N 3.19Å; A326-L329 PolarHBondContact O-N 3.46Å; L329-I332 PolarHBondContact O-N 2.88Å; L329-S333 WeakPolarHBondContact O-CB 3.28Å; L329-S333 PolarHBondContact O-N 2.9Å; L329-M348 HydrophobicContact CD2-CE 4.47Å; L329-M348 HydrophobicContact CD2-SD 4.19Å; L329-F363 HydrophobicContact CD1-CE1 3.71Å; L329-F363 HydrophobicContact CD1-CZ 4.05Å; L329-C407 CarbonylContact C-O 3.5Å; L329-C407 HydrophobicContact CB-CB 3.89Å; L329-C407 HydrophobicContact CD1-CB 4.27Å; L329-H447 HydrophobicContact CD1-CB 4.22Å; L329-F449 HydrophobicContact CB-CE2 4.11Å; L329-F449 HydrophobicContact CD2-CD2 3.83Å; L329-F449 HydrophobicContact CD2-CE2 3.7Å; L329-F449 HydrophobicContact CG-CE2 4.47Å
330	A	98.8	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-43	174.7	0	0	0	0	0	112	A326 M327 L328 S333 S334 I403 C407 Y409	A326-A330 WeakPolarHBondContact O-CB 3.33Å; A326-A330 PolarHBondContact O-N 2.88Å; M327-A330 PolarHBondContact O-N 3.35Å; L328-A330 VanDerWaalsContact C-N 3.31Å; L328-A330 PolarHBondContact O-N 3.29Å; A330-S333 WeakPolarHBondContact O-CB 3.5Å; A330-S333 PolarHBondContact O-N 2.86Å; A330-S334 PolarHBondContact O-N 3.22Å; A330-I403 HydrophobicContact CB-CD1 3.88Å; A330-I403 HydrophobicContact CB-CG1 4.16Å; A330-I403 HydrophobicContact CB-CG2 4.21Å; A330-C407 WeakPolarHBondContact CA-O 3.19Å; A330-C407 PolarHBondContact N-O 3.5Å; A330-Y409 HydrophobicContact CB-CD1 4.14Å; A330-Y409 HydrophobicContact CB-CD2 4.32Å; A330-Y409 HydrophobicContact CB-CE1 3.93Å; A330-Y409 HydrophobicContact CB-CE2 4.13Å; A330-Y409 HydrophobicContact CB-CG 4.3Å
331	E	98.9	Very high	96.2	Very high	33 Å²	33	31.8 Å²	31.8	15%	0.154	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-47.3	173.9	-169.4	70.3	-141	0	0	111.1	N269 V271 V289 M327 L328 S333 S334 V335 Y409	N269-E331 HydrophobicContact CB-CG 4.24Å; N269-E331 WeakPolarHBondContact CB-OE1 3.45Å; V271-E331 HydrophobicContact CG2-CB 3.62Å; V271-E331 HydrophobicContact CG2-CG 3.52Å; V289-E331 HydrophobicContact CB-CG 4.35Å; V289-E331 HydrophobicContact CG2-CB 4.36Å; V289-E331 HydrophobicContact CG2-CG 3.97Å; M327-E331 PolarHBondContact O-N 2.96Å; M327-E331 VanDerWaalsContact O-N 3.13Å; L328-E331 PolarHBondContact O-N 3Å; E331-S333 VanDerWaalsContact C-N 3.26Å; E331-S333 PolarHBondContact O-N 3.2Å; E331-S334 PolarHBondContact O-N 3.23Å; E331-S334 VanDerWaalsContact O-N 3.15Å; E331-V335 HydrophobicContact CG-CG2 4.22Å; E331-V335 WeakPolarHBondContact O-CB 3.49Å; E331-V335 VanDerWaalsContact O-CG2 3.31Å; E331-V335 WeakPolarHBondContact O-CG2 3.42Å; E331-V335 PolarHBondContact O-N 3.37Å; E331-Y409 PolarHBondContact OE2-OH 3.22Å
332	I	98.6	Very high	95.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-57.4	-42.8	175.8	-67.9	166.5	0	0	0	110.3	V289 A307 L328 L329 S334 V335 A336 I346 M348 F449	V289-I332 HydrophobicContact CG1-CG1 4.36Å; V289-I332 HydrophobicContact CG2-CG1 4.07Å; A307-I332 HydrophobicContact CB-CD1 3.56Å; A307-I332 HydrophobicContact CB-CG1 3.83Å; L328-I332 HydrophobicContact CD1-CD1 4.44Å; L328-I332 HydrophobicContact CG-CD1 3.94Å; L328-I332 VanDerWaalsContact O-CG1 3.26Å; L328-I332 WeakPolarHBondContact O-CG1 3.36Å; L328-I332 PolarHBondContact O-N 2.85Å; L329-I332 PolarHBondContact O-N 2.88Å; I332-S334 VanDerWaalsContact C-N 3.33Å; I332-S334 PolarHBondContact O-N 3.46Å; I332-V335 PolarHBondContact O-N 3.43Å; I332-A336 HydrophobicContact CG2-CB 4.44Å; I332-A336 WeakPolarHBondContact O-CB 3.47Å; I332-A336 PolarHBondContact O-N 3.44Å; I332-I346 HydrophobicContact CG2-CD1 3.69Å; I332-I346 HydrophobicContact CG2-CG1 3.99Å; I332-I346 HydrophobicContact CG2-CG2 4.06Å; I332-M348 HydrophobicContact CD1-CG 4.19Å; I332-M348 HydrophobicContact CD1-SD 3.7Å; I332-F449 HydrophobicContact CB-CE2 4.48Å; I332-F449 HydrophobicContact CB-CZ 4.16Å; I332-F449 HydrophobicContact CG2-CE1 4.12Å; I332-F449 HydrophobicContact CG2-CE2 4.18Å; I332-F449 HydrophobicContact CG2-CZ 3.72Å
333	S	97.9	Very high	95.4	Very high	16 Å²	16	32.5 Å²	32.5	11%	0.112	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-43.5	178.9	-173.7	0	0	0	0	111.2	L329 A330 E331 H337 F343 V408	L329-S333 WeakPolarHBondContact O-CB 3.28Å; L329-S333 PolarHBondContact O-N 2.9Å; A330-S333 WeakPolarHBondContact O-CB 3.5Å; A330-S333 PolarHBondContact O-N 2.86Å; E331-S333 VanDerWaalsContact C-N 3.26Å; E331-S333 PolarHBondContact O-N 3.2Å; S333-H337 WeakPolarHBondContact O-CB 3.25Å; S333-H337 PolarHBondContact O-N 2.95Å; S333-F343 WeakPolarHBondContact O-CE1 3.4Å; S333-V408 WeakPolarHBondContact OG-CG1 3.3Å
334	S	97.9	Very high	95.2	Very high	74 Å²	74	32.7 Å²	32.7	52%	0.517	17%	0.173	S	C	.	.	H	α-helix	trans	-65.9	-43	177.4	-172.9	0	0	0	0	112.6	A330 E331 I332	A330-S334 PolarHBondContact O-N 3.22Å; E331-S334 PolarHBondContact O-N 3.23Å; E331-S334 VanDerWaalsContact O-N 3.15Å; I332-S334 VanDerWaalsContact C-N 3.33Å; I332-S334 PolarHBondContact O-N 3.46Å
335	V	97.8	Very high	95.1	Very high	16 Å²	16	32.7 Å²	32.7	10%	0.097	17%	0.173	C	C	.	.	H	α-helix	trans	-79.3	-38.1	-173.8	173.8	0	0	0	0	112.5	N269 V289 L291 E331 I332 H337	N269-V335 HydrophobicContact CB-CG2 3.9Å; N269-V335 VanDerWaalsContact CG-CG2 3.47Å; V289-V335 HydrophobicContact CG1-CB 4.15Å; V289-V335 HydrophobicContact CG1-CG1 3.99Å; V289-V335 HydrophobicContact CG1-CG2 4.35Å; L291-V335 HydrophobicContact CB-CG1 3.91Å; L291-V335 HydrophobicContact CD1-CG1 4.32Å; E331-V335 HydrophobicContact CG-CG2 4.22Å; E331-V335 WeakPolarHBondContact O-CB 3.49Å; E331-V335 VanDerWaalsContact O-CG2 3.31Å; E331-V335 WeakPolarHBondContact O-CG2 3.42Å; E331-V335 PolarHBondContact O-N 3.37Å; I332-V335 PolarHBondContact O-N 3.43Å; V335-H337 VanDerWaalsContact C-N 3.31Å
336	A	96.2	Very high	95.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-81.7	-9.2	-178.5	0	0	0	0	0	113.3	C305 I332 Q338 F343 C344 I346	C305-A336 HydrophobicContact CB-CB 3.88Å; I332-A336 HydrophobicContact CG2-CB 4.44Å; I332-A336 WeakPolarHBondContact O-CB 3.47Å; I332-A336 PolarHBondContact O-N 3.44Å; A336-Q338 PolarHBondContact O-N 3.18Å; A336-F343 HydrophobicContact CB-CB 4.38Å; A336-F343 HydrophobicContact CB-CD1 4.13Å; A336-F343 CarbonylContact O-C 3.59Å; A336-F343 WeakPolarHBondContact O-CA 3.49Å; A336-C344 PolarHBondContact O-N 3.49Å; A336-I346 HydrophobicContact CB-CD1 4.13Å; A336-I346 HydrophobicContact CB-CG1 4.01Å
337	H	94.3	Very high	95.1	Very high	113 Å²	113	32.7 Å²	32.7	52%	0.523	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-63.6	129.4	-177.7	-168.7	65	0	0	0	111.9	S333 V335 F343	S333-H337 WeakPolarHBondContact O-CB 3.25Å; S333-H337 PolarHBondContact O-N 2.95Å; V335-H337 VanDerWaalsContact C-N 3.31Å; H337-F343 HydrophobicContact CB-CE1 4.4Å
338	Q	89.4	Confident	95.1	Very high	42 Å²	42	32.3 Å²	32.3	20%	0.196	17%	0.172	C	C	.	.			trans	-102.4	163.1	177.3	-63.5	-166.9	-0.3	0	0	111.9	A336 D340 G341 S342 C344	A336-Q338 PolarHBondContact O-N 3.18Å; Q338-D340 VanDerWaalsContact CB-OD1 3.32Å; Q338-D340 WeakPolarHBondContact CB-OD1 3.45Å; Q338-D340 PolarHBondContact O-N 3.31Å; Q338-G341 PolarHBondContact O-N 3.4Å; Q338-G341 VanDerWaalsContact O-N 3.09Å; Q338-S342 PolarHBondContact N-O 2.95Å; Q338-S342 PolarHBondContact OE1-OG 2.84Å; Q338-C344 HydrophobicContact CG-CB 4.12Å
339	K	87.4	Confident	95.1	Very high	225 Å²	225	32.3 Å²	32.3	98%	0.978	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.1	-178.2	-66.9	-178.9	-179.8	175.8	0	113.8	G341	K339-G341 VanDerWaalsContact C-N 3.28Å
340	D	86.2	Confident	95.1	Very high	103 Å²	103	32.3 Å²	32.3	55%	0.551	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	1.3	178.3	64.3	1.4	0	0	0	112.9	Q338 S342	Q338-D340 VanDerWaalsContact CB-OD1 3.32Å; Q338-D340 WeakPolarHBondContact CB-OD1 3.45Å; Q338-D340 PolarHBondContact O-N 3.31Å; D340-S342 VanDerWaalsContact C-N 3.34Å; D340-S342 VanDerWaalsContact OD1-CB 3.28Å; D340-S342 WeakPolarHBondContact OD1-CB 3.3Å; D340-S342 PolarHBondContact OD1-N 3.41Å; D340-S342 PolarHBondContact OD1-OG 2.94Å; D340-S342 PolarHBondContact OD2-OG 2.91Å
341	G	86.6	Confident	95.1	Very high	34 Å²	34	32.4 Å²	32.4	35%	0.351	17%	0.172	S	C	.	.	S	Bend	trans	88.4	-5.8	-178.8	0	0	0	0	0	114.6	Q338 K339 V498	Q338-G341 PolarHBondContact O-N 3.4Å; Q338-G341 VanDerWaalsContact O-N 3.09Å; K339-G341 VanDerWaalsContact C-N 3.28Å; G341-V498 WeakPolarHBondContact O-CG1 3.44Å
342	S	89.5	Confident	95.1	Very high	5 Å²	5	30.9 Å²	30.9	4%	0.035	17%	0.165	C	C	.	.			trans	-80.8	175	175.2	77.7	0	0	0	0	112	Q338 D340 A499	Q338-S342 PolarHBondContact N-O 2.95Å; Q338-S342 PolarHBondContact OE1-OG 2.84Å; D340-S342 VanDerWaalsContact C-N 3.34Å; D340-S342 VanDerWaalsContact OD1-CB 3.28Å; D340-S342 WeakPolarHBondContact OD1-CB 3.3Å; D340-S342 PolarHBondContact OD1-N 3.41Å; D340-S342 PolarHBondContact OD1-OG 2.94Å; D340-S342 PolarHBondContact OD2-OG 2.91Å; S342-A499 WeakPolarHBondContact CB-O 3.33Å
343	F	92.6	Very high	95.1	Very high	10 Å²	10	31.1 Å²	31.1	4%	0.044	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-106.5	138.9	167.2	-63.1	-67	0	0	0	109.9	S333 A336 H337 I346 H448 F449 V498 L500	S333-F343 WeakPolarHBondContact O-CE1 3.4Å; A336-F343 HydrophobicContact CB-CB 4.38Å; A336-F343 HydrophobicContact CB-CD1 4.13Å; A336-F343 CarbonylContact O-C 3.59Å; A336-F343 WeakPolarHBondContact O-CA 3.49Å; H337-F343 HydrophobicContact CB-CE1 4.4Å; F343-I346 HydrophobicContact CB-CD1 4.47Å; F343-H448 HydrophobicContact CE2-CB 3.87Å; F343-H448 HydrophobicContact CZ-CB 4.42Å; F343-F449 HydrophobicContact CD1-CE1 4.12Å; F343-F449 HydrophobicContact CD2-CD1 4.03Å; F343-F449 HydrophobicContact CD2-CE1 4.07Å; F343-F449 HydrophobicContact CE1-CE1 4.12Å; F343-F449 HydrophobicContact CE2-CD1 4.22Å; F343-F449 HydrophobicContact CE2-CE1 4.05Å; F343-F449 HydrophobicContact CG-CD1 4.33Å; F343-F449 HydrophobicContact CG-CE1 4.11Å; F343-F449 HydrophobicContact CZ-CE1 4.08Å; F343-V498 HydrophobicContact CD2-CG1 4.47Å; F343-V498 HydrophobicContact CE2-CG1 4.42Å; F343-L500 HydrophobicContact CB-CD2 4.35Å
344	C	94.9	Very high	95.1	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.02	16%	0.162	C	C	.	.			trans	-63.4	159.4	168.3	79.9	0	0	0	0	111	A303 C305 A336 Q338 I346	A303-C344 VanDerWaalsContact O-CB 3.26Å; A303-C344 WeakPolarHBondContact O-CB 3.35Å; C305-C344 VanDerWaalsContact CB-SG 3.6Å; A336-C344 PolarHBondContact O-N 3.49Å; Q338-C344 HydrophobicContact CG-CB 4.12Å; C344-I346 WeakPolarHBondContact O-CG1 3.37Å; C344-I346 PolarHBondContact O-N 2.99Å
345	P	96.2	Very high	95.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.145	C	C	.	.			trans	-52.8	132	175.1	-9.2	6.2	0	0	0	112.2	P302 A303 I304 C305 G502 L504 L542	P302-P345 HydrophobicContact CG-CG 4.34Å; A303-P345 WeakPolarHBondContact O-CD 3.19Å; I304-P345 WeakPolarHBondContact CA-O 3.33Å; C305-P345 PolarHBondContact N-O 3.06Å; P345-G502 WeakPolarHBondContact CG-O 3.37Å; P345-L504 HydrophobicContact CB-CD1 4.29Å; P345-L504 HydrophobicContact CB-CD2 4.14Å; P345-L504 HydrophobicContact CB-CG 3.92Å; P345-L542 HydrophobicContact CG-CD1 3.65Å
346	I	98	Very high	95.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.8	-178.3	-63.5	153.8	0	0	0	109.2	C305 I332 A336 F343 C344 M348 F449 Y483 S484	C305-I346 HydrophobicContact CB-CG1 4.07Å; C305-I346 CarbonylContact O-C 3.48Å; C305-I346 WeakPolarHBondContact O-CA 3.5Å; I332-I346 HydrophobicContact CG2-CD1 3.69Å; I332-I346 HydrophobicContact CG2-CG1 3.99Å; I332-I346 HydrophobicContact CG2-CG2 4.06Å; A336-I346 HydrophobicContact CB-CD1 4.13Å; A336-I346 HydrophobicContact CB-CG1 4.01Å; F343-I346 HydrophobicContact CB-CD1 4.47Å; C344-I346 WeakPolarHBondContact O-CG1 3.37Å; C344-I346 PolarHBondContact O-N 2.99Å; I346-M348 HydrophobicContact CG2-CB 4.39Å; I346-F449 HydrophobicContact CD1-CD1 3.48Å; I346-F449 VanDerWaalsContact CD1-CD1 3.48Å; I346-F449 HydrophobicContact CD1-CE1 3.69Å; I346-F449 HydrophobicContact CD1-CG 4.14Å; I346-F449 HydrophobicContact CD1-CZ 4.47Å; I346-Y483 CarbonylContact O-C 3.57Å; I346-Y483 VanDerWaalsContact O-CA 3.22Å; I346-Y483 WeakPolarHBondContact O-CA 3.35Å; I346-S484 WeakPolarHBondContact CB-OG 3.4Å; I346-S484 PolarHBondContact N-OG 3.27Å; I346-S484 PolarHBondContact O-N 3.08Å
347	V	98.8	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.5	160.6	-177.6	0	0	0	0	108	F167 V169 C305 V306 A307 I481 F482 L504 F540	F167-V347 HydrophobicContact CE2-CG2 4.39Å; F167-V347 HydrophobicContact CZ-CG2 4.25Å; V169-V347 HydrophobicContact CG1-CG1 4.09Å; V169-V347 HydrophobicContact CG2-CG1 4.27Å; C305-V347 PolarHBondContact O-N 3.05Å; V306-V347 CarbonylContact C-O 3.55Å; V306-V347 WeakPolarHBondContact CA-O 3.19Å; A307-V347 PolarHBondContact N-O 2.99Å; V347-I481 HydrophobicContact CG1-CG2 3.83Å; V347-F482 CarbonylContact C-O 3.6Å; V347-F482 WeakPolarHBondContact CA-O 3.31Å; V347-L504 HydrophobicContact CG2-CD1 3.48Å; V347-L504 VanDerWaalsContact CG2-CD1 3.48Å; V347-F540 HydrophobicContact CG1-CE2 4.45Å; V347-F540 HydrophobicContact CG2-CE2 4.42Å
348	M	98.8	Very high	95.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	109.3	-179.4	-177.7	177.6	68.6	0	0	109.9	A307 L328 L329 I332 I346 F352 I364 L451 F482	A307-M348 HydrophobicContact CB-CB 4.33Å; A307-M348 HydrophobicContact CB-CG 4.12Å; L328-M348 HydrophobicContact CD2-CG 4.44Å; L328-M348 HydrophobicContact CD2-SD 4.01Å; L329-M348 HydrophobicContact CD2-CE 4.47Å; L329-M348 HydrophobicContact CD2-SD 4.19Å; I332-M348 HydrophobicContact CD1-CG 4.19Å; I332-M348 HydrophobicContact CD1-SD 3.7Å; I346-M348 HydrophobicContact CG2-CB 4.39Å; M348-F352 HydrophobicContact CE-CE1 4.07Å; M348-F352 HydrophobicContact CE-CZ 3.89Å; M348-F352 HydrophobicContact CG-CZ 4.05Å; M348-F352 HydrophobicContact SD-CE1 4.46Å; M348-F352 HydrophobicContact SD-CZ 4.17Å; M348-I364 HydrophobicContact CE-CD1 4.32Å; M348-I364 HydrophobicContact CE-CG1 4.48Å; M348-I364 HydrophobicContact CE-CG2 3.71Å; M348-L451 HydrophobicContact CE-CD1 4.04Å; M348-F482 HydrophobicContact CB-CB 4.32Å; M348-F482 HydrophobicContact CE-CB 4.28Å; M348-F482 HydrophobicContact CE-CD2 3.79Å; M348-F482 HydrophobicContact CE-CG 4.28Å; M348-F482 PolarHBondContact N-O 2.77Å; M348-F482 PolarHBondContact O-N 3.08Å
349	C	98.9	Very high	95.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	163.5	179.6	-63.2	0	0	0	0	111.4	C217 A307 N308 T309 Y480	C217-C349 HydrophobicContact CB-CB 3.4Å; C217-C349 VanDerWaalsContact CB-CB 3.4Å; A307-C349 PolarHBondContact O-N 2.91Å; N308-C349 WeakPolarHBondContact CA-O 3.43Å; T309-C349 PolarHBondContact N-O 2.9Å; C349-Y480 WeakPolarHBondContact CA-O 3.38Å
350	G	98.8	Very high	96.4	Very high	0 Å²	0	15 Å²	15	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153	173.6	167.5	0	0	0	0	0	114.7	S171 T309 F352 D479 Y480	S171-G350 PolarHBondContact OG-N 3.42Å; T309-G350 WeakPolarHBondContact O-CA 3.23Å; G350-F352 WeakPolarHBondContact O-CD2 3.35Å; G350-D479 WeakPolarHBondContact O-CA 3.39Å; G350-Y480 PolarHBondContact N-O 3.48Å; G350-Y480 PolarHBondContact O-N 2.87Å
351	D	98.9	Very high	97	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.016	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	108.6	161.8	-176.6	-20.8	0	0	0	108.1	N173 Q219 T309 H310 L311 N353 H533	N173-D351 PolarHBondContact ND2-OD2 3.35Å; Q219-D351 HydrophobicContact CG-CB 4.48Å; T309-D351 PolarHBondContact O-N 2.73Å; T309-D351 VanDerWaalsContact O-N 3.11Å; H310-D351 WeakPolarHBondContact CA-O 3.5Å; H310-D351 IonicContact NE2-OD2 2.82Å; L311-D351 PolarHBondContact N-O 2.79Å; D351-N353 PolarHBondContact OD1-N 3.06Å; D351-N353 PolarHBondContact OD1-ND2 2.85Å; D351-H533 IonicContact OD2-CE1 3.9Å; D351-H533 PolarHBondContact OD2-CE1 2.91Å; D351-H533 VanDerWaalsContact OD2-CE1 3.26Å; D351-H533 IonicContact OD2-NE2 2.64Å
352	F	98.9	Very high	97.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.082	C	C	.	.			trans	-91.4	-3.5	-176.8	-73.9	-104.3	0	0	0	112.4	T309 L311 L325 M348 G350 S354 L360 I364 V478 Y480 F482	T309-F352 HydrophobicContact CG2-CE1 4.21Å; T309-F352 HydrophobicContact CG2-CE2 4.29Å; T309-F352 HydrophobicContact CG2-CZ 4Å; L311-F352 HydrophobicContact CD1-CB 4.25Å; L311-F352 HydrophobicContact CD1-CD1 3.7Å; L311-F352 HydrophobicContact CD1-CE1 4.48Å; L311-F352 HydrophobicContact CD1-CG 4.3Å; L311-F352 HydrophobicContact CG-CD1 4.36Å; L325-F352 HydrophobicContact CD1-CE1 3.97Å; M348-F352 HydrophobicContact CE-CE1 4.07Å; M348-F352 HydrophobicContact CE-CZ 3.89Å; M348-F352 HydrophobicContact CG-CZ 4.05Å; M348-F352 HydrophobicContact SD-CE1 4.46Å; M348-F352 HydrophobicContact SD-CZ 4.17Å; G350-F352 WeakPolarHBondContact O-CD2 3.35Å; F352-S354 PolarHBondContact O-N 3.34Å; F352-S354 PolarHBondContact O-OG 3.31Å; F352-L360 HydrophobicContact CD1-CD2 4.2Å; F352-I364 HydrophobicContact CD1-CD1 3.72Å; F352-I364 HydrophobicContact CE1-CD1 3.64Å; F352-V478 PolarHBondContact N-O 3.37Å; F352-Y480 HydrophobicContact CB-CD2 4.03Å; F352-Y480 HydrophobicContact CB-CE2 4.13Å; F352-Y480 AromaticContact CD2-CD2 3.72Å; F352-Y480 HydrophobicContact CD2-CD2 3.72Å; F352-Y480 HydrophobicContact CD2-CG 4.48Å; F352-Y480 HydrophobicContact CG-CD2 4.09Å; F352-F482 HydrophobicContact CD2-CE2 4.47Å; F352-F482 HydrophobicContact CE1-CE2 4.45Å; F352-F482 HydrophobicContact CE2-CD2 4.3Å; F352-F482 HydrophobicContact CE2-CE2 4.14Å; F352-F482 HydrophobicContact CZ-CD2 4.15Å; F352-F482 HydrophobicContact CZ-CE2 4.14Å
353	N	98.8	Very high	98	Very high	7 Å²	7	11.5 Å²	11.5	4%	0.037	8%	0.08	C	C	.	.	S	Bend	trans	45.6	39.5	-175.5	-86.4	-66	0	0	0	112.3	H310 L311 L312 Y313 K321 D351 S380 Q382	H310-N353 PolarHBondContact CD2-ND2 3.27Å; H310-N353 PolarHBondContact NE2-ND2 2.81Å; H310-N353 VanDerWaalsContact NE2-ND2 3.16Å; L311-N353 PolarHBondContact O-ND2 3.41Å; L312-N353 WeakPolarHBondContact O-CB 3.38Å; Y313-N353 VanDerWaalsContact CD2-OD1 3.27Å; Y313-N353 WeakPolarHBondContact CD2-OD1 3.32Å; K321-N353 PolarHBondContact NZ-O 3.36Å; D351-N353 PolarHBondContact OD1-N 3.06Å; D351-N353 PolarHBondContact OD1-ND2 2.85Å; N353-S380 WeakPolarHBondContact O-CB 3.46Å; N353-Q382 PolarHBondContact O-OE1 3.26Å; N353-Q382 PolarHBondContact OD1-NE2 2.85Å
354	S	98.6	Very high	98.3	Very high	1 Å²	1	11 Å²	11	1%	0.007	8%	0.079	C	C	.	.			trans	-147.3	135.8	-174	-59.3	0	0	0	0	109.5	F352 S380 Y480	F352-S354 PolarHBondContact O-N 3.34Å; F352-S354 PolarHBondContact O-OG 3.31Å; S354-S380 CarbonylContact C-O 3.47Å; S354-S380 VanDerWaalsContact CA-O 3.29Å; S354-S380 WeakPolarHBondContact CA-O 3.44Å; S354-S380 WeakPolarHBondContact OG-CB 3.44Å; S354-Y480 VanDerWaalsContact O-CE2 3.25Å; S354-Y480 WeakPolarHBondContact O-CE2 3.36Å; S354-Y480 PolarHBondContact O-OH 2.8Å
355	V	98.6	Very high	98.4	Very high	28 Å²	28	13.5 Å²	13.5	17%	0.17	9%	0.089	C	C	.	.			trans	-86.6	160	-173.9	-57.4	0	0	0	0	112.5	S358 S380 I476 T477 Y480	V355-S358 WeakPolarHBondContact O-CB 3.49Å; V355-S358 PolarHBondContact O-N 2.96Å; V355-S358 VanDerWaalsContact O-N 3.13Å; V355-S358 PolarHBondContact O-OG 2.88Å; V355-S380 PolarHBondContact N-O 3.01Å; V355-I476 HydrophobicContact CG1-CB 4.19Å; V355-I476 HydrophobicContact CG1-CD1 3.87Å; V355-I476 HydrophobicContact CG1-CG2 4.41Å; V355-T477 WeakPolarHBondContact CA-O 3.45Å; V355-Y480 WeakPolarHBondContact CA-OH 3.46Å
356	P	98.3	Very high	98.4	Very high	23 Å²	23	19.4 Å²	19.4	15%	0.149	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	140.6	174.6	-27.5	37.3	0	0	0	111.7	S358 H457 T477 Y480	P356-S358 PolarHBondContact O-N 2.95Å; P356-H457 HydrophobicContact CB-CB 3.64Å; P356-H457 HydrophobicContact CG-CB 3.59Å; P356-H457 VanDerWaalsContact CG-CG 3.43Å; P356-T477 HydrophobicContact CG-CG2 3.71Å; P356-Y480 WeakPolarHBondContact CD-OH 3.3Å; P356-Y480 HydrophobicContact CG-CE1 4.31Å
357	G	97.1	Very high	98.4	Very high	57 Å²	57	19.8 Å²	19.8	59%	0.588	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	0.9	-177.4	0	0	0	0	0	115.4
358	S	98.3	Very high	98.3	Very high	5 Å²	5	26.3 Å²	26.3	4%	0.035	15%	0.149	C	C	.	.	S	Bend	trans	-65.4	155.7	170.2	65.1	0	0	0	0	111.6	V355 P356 L360 Y361 S362 S380	V355-S358 WeakPolarHBondContact O-CB 3.49Å; V355-S358 PolarHBondContact O-N 2.96Å; V355-S358 VanDerWaalsContact O-N 3.13Å; V355-S358 PolarHBondContact O-OG 2.88Å; P356-S358 PolarHBondContact O-N 2.95Å; S358-L360 PolarHBondContact O-N 2.8Å; S358-L360 VanDerWaalsContact O-N 3.16Å; S358-Y361 WeakPolarHBondContact O-CB 3.31Å; S358-Y361 PolarHBondContact O-N 3.26Å; S358-Y361 WeakPolarHBondContact OG-CB 3.18Å; S358-Y361 PolarHBondContact OG-N 3.39Å; S358-S362 PolarHBondContact O-N 3.44Å; S358-S362 PolarHBondContact O-OG 2.8Å; S358-S380 VanDerWaalsContact CB-C 3.45Å; S358-S380 WeakPolarHBondContact CB-O 3.16Å
359	P	98.6	Very high	98.3	Very high	32 Å²	32	27.2 Å²	27.2	21%	0.208	15%	0.154	C	C	.	.	H	α-helix	trans	-51.4	-38	175.4	-28.9	33.8	0	0	0	114.3	F363 L369 L374 K378 V379	P359-F363 WeakPolarHBondContact O-CB 3.18Å; P359-F363 PolarHBondContact O-N 3.35Å; P359-L369 HydrophobicContact CB-CD1 4.05Å; P359-L369 HydrophobicContact CB-CD2 4.45Å; P359-L374 HydrophobicContact CB-CD2 3.8Å; P359-L374 HydrophobicContact CG-CD1 4.05Å; P359-L374 HydrophobicContact CG-CD2 4.07Å; P359-K378 WeakPolarHBondContact CD-O 3.5Å; P359-V379 VanDerWaalsContact CD-O 3.31Å; P359-V379 WeakPolarHBondContact CD-O 3.44Å
360	L	98.8	Very high	98.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-66.7	-44.8	175.4	-172.4	151.9	0	0	0	111.9	L311 K321 L322 L325 F352 S358 F363 I364 V379	L311-L360 HydrophobicContact CD1-CD1 4.27Å; K321-L360 HydrophobicContact CB-CD1 3.68Å; L322-L360 HydrophobicContact CD2-CB 4.45Å; L322-L360 HydrophobicContact CD2-CG 4.36Å; L325-L360 HydrophobicContact CD2-CD1 4.44Å; L325-L360 HydrophobicContact CD2-CD2 3.96Å; L325-L360 HydrophobicContact CD2-CG 3.88Å; F352-L360 HydrophobicContact CD1-CD2 4.2Å; S358-L360 PolarHBondContact O-N 2.8Å; S358-L360 VanDerWaalsContact O-N 3.16Å; L360-F363 WeakPolarHBondContact O-CB 3.46Å; L360-F363 PolarHBondContact O-N 2.99Å; L360-I364 HydrophobicContact CD2-CD1 3.77Å; L360-I364 WeakPolarHBondContact O-CG1 3.27Å; L360-I364 PolarHBondContact O-N 3.44Å; L360-V379 HydrophobicContact CB-CG1 3.98Å; L360-V379 WeakPolarHBondContact CB-O 2.72Å; L360-V379 HydrophobicContact CD1-CG1 4.25Å; L360-V379 PolarHBondContact N-O 3.16Å
361	Y	98.8	Very high	98.2	Very high	28 Å²	28	31.6 Å²	31.6	11%	0.11	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-46.9	176.1	173.5	-89.6	0	0	0	111.7	S358 F363 I364 K365 H457 Y480 F482	S358-Y361 WeakPolarHBondContact O-CB 3.31Å; S358-Y361 PolarHBondContact O-N 3.26Å; S358-Y361 WeakPolarHBondContact OG-CB 3.18Å; S358-Y361 PolarHBondContact OG-N 3.39Å; Y361-F363 VanDerWaalsContact C-N 3.27Å; Y361-F363 PolarHBondContact O-N 3.22Å; Y361-I364 PolarHBondContact O-N 3.04Å; Y361-K365 HydrophobicContact CD1-CG 4.23Å; Y361-K365 HydrophobicContact CE1-CB 4.5Å; Y361-K365 HydrophobicContact CE1-CG 3.62Å; Y361-K365 HydrophobicContact CE2-CG 4.11Å; Y361-K365 PolarHBondContact O-N 3.03Å; Y361-H457 AromaticContact CE2-CE1 3.97Å; Y361-H457 AromaticContact CE2-NE2 3.34Å; Y361-H457 VanDerWaalsContact CE2-NE2 3.34Å; Y361-H457 WeakPolarHBondContact CE2-NE2 3.29Å; Y361-H457 AromaticContact CZ-CD2 3.81Å; Y361-H457 AromaticContact CZ-NE2 3.29Å; Y361-H457 VanDerWaalsContact CZ-NE2 3.29Å; Y361-H457 PolarHBondContact OH-CD2 3.17Å; Y361-H457 PolarHBondContact OH-NE2 2.79Å; Y361-Y480 HydrophobicContact CD2-CD1 4.15Å; Y361-Y480 AromaticContact CD2-CE1 3.57Å; Y361-Y480 HydrophobicContact CD2-CE1 3.57Å; Y361-Y480 AromaticContact CD2-CZ 3.92Å; Y361-Y480 AromaticContact CE2-CD1 3.95Å; Y361-Y480 HydrophobicContact CE2-CD1 3.95Å; Y361-Y480 AromaticContact CE2-CE1 3.6Å; Y361-Y480 HydrophobicContact CE2-CE1 3.6Å; Y361-F482 HydrophobicContact CD2-CE1 4.24Å; Y361-F482 AromaticContact CD2-CZ 3.86Å; Y361-F482 HydrophobicContact CD2-CZ 3.86Å; Y361-F482 AromaticContact CE2-CE1 3.79Å; Y361-F482 HydrophobicContact CE2-CE1 3.79Å; Y361-F482 AromaticContact CE2-CZ 3.82Å; Y361-F482 HydrophobicContact CE2-CZ 3.82Å
362	S	98.5	Very high	98.1	Very high	41 Å²	41	38.1 Å²	38.1	29%	0.287	21%	0.207	S	C	.	.	H	α-helix	trans	-61	-36.9	176.9	-65.9	0	0	0	0	111.9	S358 I364 K365 E366	S358-S362 PolarHBondContact O-N 3.44Å; S358-S362 PolarHBondContact O-OG 2.8Å; S362-I364 PolarHBondContact O-N 3.37Å; S362-K365 PolarHBondContact O-N 2.89Å; S362-E366 VanDerWaalsContact O-CB 3.26Å; S362-E366 WeakPolarHBondContact O-CB 3.36Å; S362-E366 VanDerWaalsContact O-CG 3.3Å; S362-E366 WeakPolarHBondContact O-CG 3.14Å; S362-E366 PolarHBondContact O-N 2.96Å
363	F	98.8	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-48	174.7	175.6	-129.7	0	0	0	112.1	L322 L325 L329 P359 L360 Y361 K365 G367 L369 C407 L445 H447	L322-F363 HydrophobicContact CD2-CD1 4.21Å; L325-F363 HydrophobicContact CD2-CD1 3.67Å; L325-F363 HydrophobicContact CD2-CE1 4.03Å; L325-F363 HydrophobicContact CG-CE1 4.44Å; L329-F363 HydrophobicContact CD1-CE1 3.71Å; L329-F363 HydrophobicContact CD1-CZ 4.05Å; P359-F363 WeakPolarHBondContact O-CB 3.18Å; P359-F363 PolarHBondContact O-N 3.35Å; L360-F363 WeakPolarHBondContact O-CB 3.46Å; L360-F363 PolarHBondContact O-N 2.99Å; Y361-F363 VanDerWaalsContact C-N 3.27Å; Y361-F363 PolarHBondContact O-N 3.22Å; F363-K365 VanDerWaalsContact C-N 3.33Å; F363-K365 PolarHBondContact O-N 2.91Å; F363-G367 WeakPolarHBondContact O-CA 3.46Å; F363-G367 PolarHBondContact O-N 3.08Å; F363-L369 HydrophobicContact CB-CB 3.88Å; F363-L369 HydrophobicContact CB-CD2 4.18Å; F363-L369 HydrophobicContact CD2-CB 3.77Å; F363-L369 HydrophobicContact CG-CB 4.06Å; F363-C407 VanDerWaalsContact CZ-SG 3.59Å; F363-L445 HydrophobicContact CD2-CB 4.23Å; F363-L445 HydrophobicContact CE1-CD1 4.43Å; F363-L445 HydrophobicContact CE2-CB 3.71Å; F363-L445 HydrophobicContact CZ-CB 3.99Å; F363-L445 HydrophobicContact CZ-CD1 4.44Å; F363-H447 AromaticContact CE2-CD2 3.85Å; F363-H447 HydrophobicContact CZ-CB 4.42Å; F363-H447 AromaticContact CZ-CD2 3.78Å; F363-H447 PolarHBondContact O-NE2 2.75Å; F363-H447 VanDerWaalsContact O-NE2 3.13Å
364	I	98.5	Very high	97.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-42.3	178.2	-62.7	169.6	0	0	0	111.4	L325 M348 F352 L360 Y361 S362 H447 L451 F482	L325-I364 HydrophobicContact CD1-CD1 4.13Å; L325-I364 HydrophobicContact CD1-CG1 4.19Å; L325-I364 HydrophobicContact CD2-CD1 3.9Å; L325-I364 HydrophobicContact CD2-CG1 3.61Å; L325-I364 HydrophobicContact CG-CG1 4.5Å; M348-I364 HydrophobicContact CE-CD1 4.32Å; M348-I364 HydrophobicContact CE-CG1 4.48Å; M348-I364 HydrophobicContact CE-CG2 3.71Å; F352-I364 HydrophobicContact CD1-CD1 3.72Å; F352-I364 HydrophobicContact CE1-CD1 3.64Å; L360-I364 HydrophobicContact CD2-CD1 3.77Å; L360-I364 WeakPolarHBondContact O-CG1 3.27Å; L360-I364 PolarHBondContact O-N 3.44Å; Y361-I364 PolarHBondContact O-N 3.04Å; S362-I364 PolarHBondContact O-N 3.37Å; I364-H447 WeakPolarHBondContact CA-NE2 3.42Å; I364-H447 PolarHBondContact O-CE1 3.32Å; I364-H447 PolarHBondContact O-NE2 2.85Å; I364-H447 VanDerWaalsContact O-NE2 3.08Å; I364-L451 HydrophobicContact CG2-CD1 3.9Å; I364-F482 HydrophobicContact CB-CZ 4.36Å; I364-F482 HydrophobicContact CD1-CE2 3.84Å; I364-F482 HydrophobicContact CD1-CZ 4.12Å; I364-F482 HydrophobicContact CG2-CD1 3.81Å; I364-F482 HydrophobicContact CG2-CD2 3.91Å; I364-F482 HydrophobicContact CG2-CE1 3.82Å; I364-F482 HydrophobicContact CG2-CE2 3.91Å; I364-F482 HydrophobicContact CG2-CG 3.85Å; I364-F482 HydrophobicContact CG2-CZ 3.87Å
365	K	96.7	Very high	97.8	Very high	54 Å²	54	43 Å²	43	24%	0.235	25%	0.247	C	C	.	.	H	α-helix	trans	-74	-45.1	-175.6	-83.5	-67	-59.8	159.9	0	113.2	Y361 S362 F363 L451 F482	Y361-K365 HydrophobicContact CD1-CG 4.23Å; Y361-K365 HydrophobicContact CE1-CB 4.5Å; Y361-K365 HydrophobicContact CE1-CG 3.62Å; Y361-K365 HydrophobicContact CE2-CG 4.11Å; Y361-K365 PolarHBondContact O-N 3.03Å; S362-K365 PolarHBondContact O-N 2.89Å; F363-K365 VanDerWaalsContact C-N 3.33Å; F363-K365 PolarHBondContact O-N 2.91Å; K365-L451 PolarHBondContact NZ-O 2.56Å; K365-F482 HydrophobicContact CD-CD1 4.49Å; K365-F482 HydrophobicContact CD-CE1 4.2Å; K365-F482 HydrophobicContact CG-CE1 4.28Å
366	E	97	Very high	97.7	Very high	125 Å²	125	42.5 Å²	42.5	58%	0.584	24%	0.244	S	C	*	.	H	α-helix	trans	-93.3	-11.2	-171.3	-56.3	-54	135.8	0	0	112.9	S362 K368	S362-E366 VanDerWaalsContact O-CB 3.26Å; S362-E366 WeakPolarHBondContact O-CB 3.36Å; S362-E366 VanDerWaalsContact O-CG 3.3Å; S362-E366 WeakPolarHBondContact O-CG 3.14Å; S362-E366 PolarHBondContact O-N 2.96Å; E366-K368 HydrophobicContact CB-CG 4.34Å; E366-K368 PolarHBondContact O-N 2.98Å
367	G	97.2	Very high	97.6	Very high	10 Å²	10	41.4 Å²	41.4	10%	0.103	24%	0.236	C	C	.	.	S	Bend	trans	67.6	10.6	-175	0	0	0	0	0	114.3	F363 Q446 H447	F363-G367 WeakPolarHBondContact O-CA 3.46Å; F363-G367 PolarHBondContact O-N 3.08Å; G367-Q446 CarbonylContact O-C 3.53Å; G367-Q446 WeakPolarHBondContact O-CA 3.43Å; G367-H447 WeakPolarHBondContact CA-CE1 3.07Å; G367-H447 PolarHBondContact O-N 2.92Å
368	K	97.9	Very high	97.5	Very high	137 Å²	137	41 Å²	41	60%	0.596	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-153.2	147.5	179.1	65.2	-173.1	175.9	-174.1	0	112.4	E366 L445 Q446	E366-K368 HydrophobicContact CB-CG 4.34Å; E366-K368 PolarHBondContact O-N 2.98Å; K368-L445 CarbonylContact C-O 3.55Å; K368-L445 VanDerWaalsContact CA-O 3.22Å; K368-L445 WeakPolarHBondContact CA-O 3.34Å; K368-Q446 HydrophobicContact CB-CG 4.24Å
369	L	98.3	Very high	97.5	Very high	19 Å²	19	40.8 Å²	40.8	10%	0.099	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	119.5	174.3	175	66.6	0	0	0	110	L322 P359 F363 N444 L445	L322-L369 HydrophobicContact CD1-CD2 4.21Å; L322-L369 HydrophobicContact CD2-CD2 4.05Å; P359-L369 HydrophobicContact CB-CD1 4.05Å; P359-L369 HydrophobicContact CB-CD2 4.45Å; F363-L369 HydrophobicContact CB-CB 3.88Å; F363-L369 HydrophobicContact CB-CD2 4.18Å; F363-L369 HydrophobicContact CD2-CB 3.77Å; F363-L369 HydrophobicContact CG-CB 4.06Å; L369-N444 CarbonylContact O-C 3.52Å; L369-N444 VanDerWaalsContact O-CA 3.28Å; L369-N444 WeakPolarHBondContact O-CA 3.44Å; L369-L445 PolarHBondContact N-O 2.79Å; L369-L445 PolarHBondContact O-N 2.75Å
370	N	98.2	Very high	97.5	Very high	90 Å²	90	39.3 Å²	39.3	48%	0.481	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	115.8	161.5	-174.5	-3.4	0	0	0	108.3	E372 S443 N444	N370-E372 VanDerWaalsContact OD1-CB 3.29Å; N370-E372 WeakPolarHBondContact OD1-CB 3.38Å; N370-E372 PolarHBondContact OD1-N 3.22Å; N370-S443 WeakPolarHBondContact CA-O 3.28Å; N370-S443 PolarHBondContact OD1-O 3.06Å; N370-S443 PolarHBondContact OD1-OG 3.2Å; N370-S443 VanDerWaalsContact OD1-OG 3.12Å; N370-N444 WeakPolarHBondContact CA-OD1 3.14Å; N370-N444 WeakPolarHBondContact CB-OD1 3.47Å
371	Y	97.6	Very high	97.4	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	22%	0.217	C	C	.	.			trans	-107.6	14.4	-177.8	62.4	-95.7	0	0	0	112.9	G373 L374 L392 S393 I394 I396 Q405 S442 S443 L445	Y371-G373 PolarHBondContact O-N 2.78Å; Y371-L374 VanDerWaalsContact O-CB 3.31Å; Y371-L374 WeakPolarHBondContact O-CB 3.46Å; Y371-L374 PolarHBondContact O-N 3.27Å; Y371-L374 VanDerWaalsContact O-N 3.12Å; Y371-L392 HydrophobicContact CD2-CB 4Å; Y371-L392 HydrophobicContact CD2-CD1 4.34Å; Y371-L392 HydrophobicContact CG-CD1 4.4Å; Y371-S393 VanDerWaalsContact CE2-O 3.29Å; Y371-S393 WeakPolarHBondContact CE2-O 3.47Å; Y371-I394 HydrophobicContact CD2-CG1 4.46Å; Y371-I394 HydrophobicContact CE2-CB 4.41Å; Y371-I394 HydrophobicContact CE2-CG1 3.66Å; Y371-I396 HydrophobicContact CD1-CD1 3.92Å; Y371-I396 HydrophobicContact CD2-CD1 3.98Å; Y371-I396 HydrophobicContact CD2-CG1 3.97Å; Y371-I396 HydrophobicContact CE1-CD1 3.98Å; Y371-I396 HydrophobicContact CE1-CG1 4.3Å; Y371-I396 HydrophobicContact CE2-CD1 4.02Å; Y371-I396 HydrophobicContact CE2-CG1 3.64Å; Y371-I396 HydrophobicContact CG-CD1 3.93Å; Y371-I396 HydrophobicContact CG-CG1 4.43Å; Y371-Q405 PolarHBondContact OH-NE2 3.04Å; Y371-Q405 VanDerWaalsContact OH-NE2 3.12Å; Y371-S442 PolarHBondContact OH-O 3.39Å; Y371-S442 VanDerWaalsContact OH-O 3.11Å; Y371-S443 WeakPolarHBondContact CD1-O 3.3Å; Y371-S443 WeakPolarHBondContact CE1-O 3.26Å; Y371-S443 PolarHBondContact N-O 2.82Å; Y371-L445 HydrophobicContact CD1-CG 4.02Å; Y371-L445 HydrophobicContact CE1-CD2 4.39Å; Y371-L445 HydrophobicContact CE1-CG 3.81Å
372	E	97.3	Very high	97.1	Very high	140 Å²	140	40.6 Å²	40.6	65%	0.654	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	126.7	173.9	-170.3	172.8	-157.2	0	0	111	N370 L374	N370-E372 VanDerWaalsContact OD1-CB 3.29Å; N370-E372 WeakPolarHBondContact OD1-CB 3.38Å; N370-E372 PolarHBondContact OD1-N 3.22Å; E372-L374 PolarHBondContact O-N 3.06Å; E372-L374 VanDerWaalsContact O-N 3.11Å
373	G	95.6	Very high	96.4	Very high	51 Å²	51	39.8 Å²	39.8	53%	0.526	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	5.1	178.6	0	0	0	0	0	115.2	Y371 P375 I391	Y371-G373 PolarHBondContact O-N 2.78Å; G373-P375 VanDerWaalsContact O-CD 3.3Å; G373-P375 WeakPolarHBondContact O-CD 3.47Å; G373-I391 WeakPolarHBondContact O-CD1 3.12Å
374	L	96.8	Very high	95.1	Very high	27 Å²	27	47.3 Å²	47.3	14%	0.141	25%	0.247	C	C	.	.			trans	-76.4	119.9	-176.3	-178.8	62.6	0	0	0	111.7	P359 Y371 E372 K378 V379 L392	P359-L374 HydrophobicContact CB-CD2 3.8Å; P359-L374 HydrophobicContact CG-CD1 4.05Å; P359-L374 HydrophobicContact CG-CD2 4.07Å; Y371-L374 VanDerWaalsContact O-CB 3.31Å; Y371-L374 WeakPolarHBondContact O-CB 3.46Å; Y371-L374 PolarHBondContact O-N 3.27Å; Y371-L374 VanDerWaalsContact O-N 3.12Å; E372-L374 PolarHBondContact O-N 3.06Å; E372-L374 VanDerWaalsContact O-N 3.11Å; L374-K378 HydrophobicContact CD1-CB 4Å; L374-V379 HydrophobicContact CD2-CG2 4.03Å; L374-V379 HydrophobicContact CG-CG2 4.41Å; L374-L392 HydrophobicContact CB-CD1 4.1Å; L374-L392 HydrophobicContact CD2-CD1 3.8Å; L374-L392 HydrophobicContact CG-CD1 4.05Å; L374-L392 PolarHBondContact O-N 3.11Å
375	P	96.8	Very high	94.1	Very high	32 Å²	32	50 Å²	50	21%	0.208	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-67.8	141.3	174.8	-18.7	32.3	0	0	0	112.1	G373 G377 K378 Q389 I391	G373-P375 VanDerWaalsContact O-CD 3.3Å; G373-P375 WeakPolarHBondContact O-CD 3.47Å; P375-G377 VanDerWaalsContact C-N 3.26Å; P375-G377 PolarHBondContact O-N 3.46Å; P375-G377 VanDerWaalsContact O-N 3.14Å; P375-K378 HydrophobicContact CB-CG 4.13Å; P375-K378 HydrophobicContact CG-CG 4.18Å; P375-K378 PolarHBondContact O-N 3.21Å; P375-Q389 HydrophobicContact CB-CB 4.1Å; P375-I391 HydrophobicContact CB-CD1 4.07Å; P375-I391 HydrophobicContact CG-CD1 3.78Å
376	I	96.5	Very high	92.6	Very high	19 Å²	19	51.1 Å²	51.1	10%	0.097	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.6	-174.6	60	176.5	0	0	0	114.3	R316 G318 D319 K378 R390 L392	R316-I376 VanDerWaalsContact O-CD1 3.27Å; R316-I376 WeakPolarHBondContact O-CD1 3.48Å; R316-I376 WeakPolarHBondContact O-CG1 3.4Å; G318-I376 WeakPolarHBondContact CA-O 3.31Å; G318-I376 PolarHBondContact N-O 3.34Å; D319-I376 HydrophobicContact CB-CG2 4.06Å; I376-K378 VanDerWaalsContact C-N 3.34Å; I376-R390 HydrophobicContact CD1-CB 4.26Å; I376-R390 WeakPolarHBondContact CG1-O 3.5Å; I376-R390 WeakPolarHBondContact CG2-O 3.33Å; I376-R390 PolarHBondContact N-O 2.98Å; I376-L392 HydrophobicContact CG2-CD2 3.89Å; I376-L392 HydrophobicContact CG2-CG 4.17Å
377	G	95.9	Very high	91.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-13	179.2	0	0	0	0	0	114.2	P315 P375	P315-G377 WeakPolarHBondContact O-CA 3.29Å; P375-G377 VanDerWaalsContact C-N 3.26Å; P375-G377 PolarHBondContact O-N 3.46Å; P375-G377 VanDerWaalsContact O-N 3.14Å
378	K	96.6	Very high	90.8	Very high	49 Å²	49	59.3 Å²	59.3	21%	0.213	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-17	179.7	-66	-58.8	-177.7	-174.3	0	114	P359 L374 P375 I376 S380 G381 E383 Q384 S386	P359-K378 WeakPolarHBondContact CD-O 3.5Å; L374-K378 HydrophobicContact CD1-CB 4Å; P375-K378 HydrophobicContact CB-CG 4.13Å; P375-K378 HydrophobicContact CG-CG 4.18Å; P375-K378 PolarHBondContact O-N 3.21Å; I376-K378 VanDerWaalsContact C-N 3.34Å; K378-S380 VanDerWaalsContact C-N 3.28Å; K378-S380 PolarHBondContact O-N 3.18Å; K378-G381 PolarHBondContact O-N 2.96Å; K378-E383 PolarHBondContact NZ-O 3.16Å; K378-Q384 PolarHBondContact NZ-O 3.38Å; K378-S386 WeakPolarHBondContact CE-OG 3.43Å; K378-S386 PolarHBondContact NZ-OG 2.85Å
379	V	97.9	Very high	90.4	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-43.4	-178.9	170.4	0	0	0	0	113.4	L322 P359 L360 L374 L392	L322-V379 HydrophobicContact CD1-CG1 3.77Å; L322-V379 HydrophobicContact CD1-CG2 3.94Å; L322-V379 HydrophobicContact CD2-CG1 4.28Å; L322-V379 HydrophobicContact CG-CG1 3.64Å; P359-V379 VanDerWaalsContact CD-O 3.31Å; P359-V379 WeakPolarHBondContact CD-O 3.44Å; L360-V379 HydrophobicContact CB-CG1 3.98Å; L360-V379 WeakPolarHBondContact CB-O 2.72Å; L360-V379 HydrophobicContact CD1-CG1 4.25Å; L360-V379 PolarHBondContact N-O 3.16Å; L374-V379 HydrophobicContact CD2-CG2 4.03Å; L374-V379 HydrophobicContact CG-CG2 4.41Å; V379-L392 HydrophobicContact CG2-CD1 3.91Å
380	S	97.9	Very high	90.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-11.2	-173.8	63.3	0	0	0	0	114.2	K321 N353 S354 V355 S358 K378 Q382	K321-S380 VanDerWaalsContact NZ-CB 3.27Å; K321-S380 PolarHBondContact NZ-OG 2.95Å; N353-S380 WeakPolarHBondContact O-CB 3.46Å; S354-S380 CarbonylContact C-O 3.47Å; S354-S380 VanDerWaalsContact CA-O 3.29Å; S354-S380 WeakPolarHBondContact CA-O 3.44Å; S354-S380 WeakPolarHBondContact OG-CB 3.44Å; V355-S380 PolarHBondContact N-O 3.01Å; S358-S380 VanDerWaalsContact CB-C 3.45Å; S358-S380 WeakPolarHBondContact CB-O 3.16Å; K378-S380 VanDerWaalsContact C-N 3.28Å; K378-S380 PolarHBondContact O-N 3.18Å; S380-Q382 PolarHBondContact O-N 3.33Å; S380-Q382 VanDerWaalsContact O-N 3.09Å
381	G	96.6	Very high	90.1	Very high	21 Å²	21	57.7 Å²	57.7	22%	0.216	32%	0.317	C	S	.	.	S	Bend	trans	65.6	-0.2	-173.2	0	0	0	0	0	116.1	K378	K378-G381 PolarHBondContact O-N 2.96Å
382	Q	93.4	Very high	90.1	Very high	36 Å²	36	58 Å²	58	17%	0.168	32%	0.319	C	S	.	.			trans	-69.1	-31.7	174.4	-70.3	178	-51.7	0	0	112.6	Y313 P315 N353 S380 I476	Y313-Q382 PolarHBondContact O-OE1 3Å; Y313-Q382 VanDerWaalsContact O-OE1 3.09Å; P315-Q382 HydrophobicContact CB-CB 3.87Å; P315-Q382 HydrophobicContact CG-CB 4.05Å; N353-Q382 PolarHBondContact O-OE1 3.26Å; N353-Q382 PolarHBondContact OD1-NE2 2.85Å; S380-Q382 PolarHBondContact O-N 3.33Å; S380-Q382 VanDerWaalsContact O-N 3.09Å; Q382-I476 HydrophobicContact CG-CD1 4.42Å
383	E	82.1	Confident	90.1	Very high	24 Å²	24	54.2 Å²	54.2	11%	0.112	31%	0.308	C	S	.	.			trans	-94.9	115.5	-176.8	-166.3	177.7	175.7	0	0	113.2	P315 R316 K378 S385 Q389	P315-E383 HydrophobicContact CB-CB 4.04Å; R316-E383 WeakPolarHBondContact CG-OE2 3.19Å; R316-E383 IonicContact NE-OE1 2.75Å; K378-E383 PolarHBondContact NZ-O 3.16Å; E383-S385 PolarHBondContact OE1-OG 3.49Å; E383-Q389 PolarHBondContact OE1-NE2 3.01Å; E383-Q389 PolarHBondContact OE2-NE2 2.85Å
384	Q	72.6	Confident	90.2	Very high	157 Å²	157	55.5 Å²	55.5	73%	0.734	30%	0.302	S	S	*	.			trans	-79	-27.8	176.7	-57.3	-56.1	-23.8	0	0	112.6	K378	K378-Q384 PolarHBondContact NZ-O 3.38Å
385	S	77.1	Confident	90.2	Very high	59 Å²	59	55.9 Å²	55.9	41%	0.413	31%	0.306	S	S	.	.			trans	-74.4	131.1	178.6	119.9	0	0	0	0	111.9	E383	E383-S385 PolarHBondContact OE1-OG 3.49Å
386	S	65.4	Low	90.2	Very high	77 Å²	77	54.9 Å²	54.9	54%	0.538	30%	0.299	S	S	.	.			trans	-110.2	6.6	-178.9	-43.9	0	0	0	0	113.6	K378	K378-S386 WeakPolarHBondContact CE-OG 3.43Å; K378-S386 PolarHBondContact NZ-OG 2.85Å
387	R	79	Confident	90.3	Very high	220 Å²	220	54.3 Å²	54.3	83%	0.83	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	127	-165.3	-69.3	-170.3	-71.2	-149.7	-1.6	112.5	Q389	R387-Q389 VanDerWaalsContact C-N 3.32Å; R387-Q389 PolarHBondContact O-N 3.26Å
388	G	78.4	Confident	90.3	Very high	86 Å²	86	56.4 Å²	56.4	89%	0.887	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	23.7	169	0	0	0	0	0	114.9
389	Q	88.1	Confident	90.3	Very high	25 Å²	25	58.7 Å²	58.7	12%	0.117	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-86.5	142.6	179.1	-59.7	-160.3	-24.5	0	0	111.7	P375 E383 R387	P375-Q389 HydrophobicContact CB-CB 4.1Å; E383-Q389 PolarHBondContact OE1-NE2 3.01Å; E383-Q389 PolarHBondContact OE2-NE2 2.85Å; R387-Q389 VanDerWaalsContact C-N 3.32Å; R387-Q389 PolarHBondContact O-N 3.26Å
390	R	94.8	Very high	90.1	Very high	113 Å²	113	61.4 Å²	61.4	43%	0.426	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-65.5	144.3	170.8	-171.7	-179	57.6	81.8	-9.5	109.7	D319 I376 S393	D319-R390 IonicContact OD2-NH2 3.92Å; D319-R390 PolarHBondContact OD2-NH2 3.17Å; I376-R390 HydrophobicContact CD1-CB 4.26Å; I376-R390 WeakPolarHBondContact CG1-O 3.5Å; I376-R390 WeakPolarHBondContact CG2-O 3.33Å; I376-R390 PolarHBondContact N-O 2.98Å; R390-S393 PolarHBondContact NH1-OG 2.94Å
391	I	96.8	Very high	90.1	Very high	74 Å²	74	61.7 Å²	61.7	38%	0.379	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-80.5	150.6	171.2	-56	-50.4	0	0	0	109.8	G373 P375 S393	G373-I391 WeakPolarHBondContact O-CD1 3.12Å; P375-I391 HydrophobicContact CB-CD1 4.07Å; P375-I391 HydrophobicContact CG-CD1 3.78Å; I391-S393 PolarHBondContact O-N 3.12Å
392	L	97.4	Very high	90.1	Very high	9 Å²	9	60.9 Å²	60.9	5%	0.047	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-55.5	138.3	172.1	-76	168.9	0	0	0	111.3	D319 L322 Y371 L374 I376 V379 I396	D319-L392 HydrophobicContact CB-CD2 3.83Å; L322-L392 HydrophobicContact CD1-CD1 3.83Å; Y371-L392 HydrophobicContact CD2-CB 4Å; Y371-L392 HydrophobicContact CD2-CD1 4.34Å; Y371-L392 HydrophobicContact CG-CD1 4.4Å; L374-L392 HydrophobicContact CB-CD1 4.1Å; L374-L392 HydrophobicContact CD2-CD1 3.8Å; L374-L392 HydrophobicContact CG-CD1 4.05Å; L374-L392 PolarHBondContact O-N 3.11Å; I376-L392 HydrophobicContact CG2-CD2 3.89Å; I376-L392 HydrophobicContact CG2-CG 4.17Å; V379-L392 HydrophobicContact CG2-CD1 3.91Å; L392-I396 HydrophobicContact CB-CG1 4.37Å; L392-I396 HydrophobicContact CD1-CD1 4.19Å; L392-I396 HydrophobicContact CD2-CD1 4.31Å; L392-I396 HydrophobicContact CD2-CG1 4.19Å; L392-I396 HydrophobicContact CD2-CG2 4.09Å
393	S	97	Very high	90.3	Very high	60 Å²	60	59.4 Å²	59.4	42%	0.42	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-73.5	155.9	174.4	-55.6	0	0	0	0	110.1	Y371 R390 I391 P395 I396	Y371-S393 VanDerWaalsContact CE2-O 3.29Å; Y371-S393 WeakPolarHBondContact CE2-O 3.47Å; R390-S393 PolarHBondContact NH1-OG 2.94Å; I391-S393 PolarHBondContact O-N 3.12Å; S393-P395 VanDerWaalsContact C-C 3.47Å; S393-P395 CarbonylContact C-O 3.49Å; S393-P395 VanDerWaalsContact CB-O 3.25Å; S393-P395 WeakPolarHBondContact CB-O 3.41Å; S393-P395 CarbonylContact O-C 3.57Å; S393-I396 WeakPolarHBondContact O-CA 3.45Å; S393-I396 WeakPolarHBondContact O-CG1 3.31Å; S393-I396 PolarHBondContact O-N 3.28Å
394	I	97	Very high	91.1	Very high	77 Å²	77	59.2 Å²	59.2	40%	0.395	33%	0.332	S	S	.	.	S	Bend	trans	-117.9	111.3	172.5	-59.5	161.3	0	0	0	107.7	Y371 L441	Y371-I394 HydrophobicContact CD2-CG1 4.46Å; Y371-I394 HydrophobicContact CE2-CB 4.41Å; Y371-I394 HydrophobicContact CE2-CG1 3.66Å; I394-L441 HydrophobicContact CG2-CB 4.01Å
395	P	96.6	Very high	92.2	Very high	36 Å²	36	53.7 Å²	53.7	23%	0.234	31%	0.306	C	S	.	.	S	Bend	cis	-68.2	166.6	-9.9	31.9	-34.8	0	0	0	112.2	S393 W397	S393-P395 VanDerWaalsContact C-C 3.47Å; S393-P395 CarbonylContact C-O 3.49Å; S393-P395 VanDerWaalsContact CB-O 3.25Å; S393-P395 WeakPolarHBondContact CB-O 3.41Å; S393-P395 CarbonylContact O-C 3.57Å; P395-W397 WeakPolarHBondContact CG-O 3.49Å
396	I	97.9	Very high	93.2	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.051	30%	0.302	C	S	.	.	S	Bend	trans	-68.3	-40.6	-177.3	-65.9	170.1	0	0	0	111.1	L322 Y371 L392 S393 L445	L322-I396 HydrophobicContact CB-CD1 4.44Å; L322-I396 HydrophobicContact CD1-CD1 3.88Å; Y371-I396 HydrophobicContact CD1-CD1 3.92Å; Y371-I396 HydrophobicContact CD2-CD1 3.98Å; Y371-I396 HydrophobicContact CD2-CG1 3.97Å; Y371-I396 HydrophobicContact CE1-CD1 3.98Å; Y371-I396 HydrophobicContact CE1-CG1 4.3Å; Y371-I396 HydrophobicContact CE2-CD1 4.02Å; Y371-I396 HydrophobicContact CE2-CG1 3.64Å; Y371-I396 HydrophobicContact CG-CD1 3.93Å; Y371-I396 HydrophobicContact CG-CG1 4.43Å; L392-I396 HydrophobicContact CB-CG1 4.37Å; L392-I396 HydrophobicContact CD1-CD1 4.19Å; L392-I396 HydrophobicContact CD2-CD1 4.31Å; L392-I396 HydrophobicContact CD2-CG1 4.19Å; L392-I396 HydrophobicContact CD2-CG2 4.09Å; S393-I396 WeakPolarHBondContact O-CA 3.45Å; S393-I396 WeakPolarHBondContact O-CG1 3.31Å; S393-I396 PolarHBondContact O-N 3.28Å; I396-L445 HydrophobicContact CD1-CD1 3.86Å; I396-L445 HydrophobicContact CD1-CG 4.34Å
397	W	97.9	Very high	94.7	Very high	8 Å²	8	50.3 Å²	50.3	3%	0.03	28%	0.277	C	S	.	.	S	Bend	trans	-117	157.3	-179.3	58	78.6	0	0	0	111.4	L280 T323 A326 P395 L401 I403 S404 L445	L280-W397 HydrophobicContact CD2-CB 4.01Å; T323-W397 HydrophobicContact CG2-CB 3.73Å; T323-W397 HydrophobicContact CG2-CD2 4.21Å; T323-W397 HydrophobicContact CG2-CE3 4.02Å; T323-W397 HydrophobicContact CG2-CG 4.14Å; A326-W397 HydrophobicContact CB-CE3 4.4Å; A326-W397 HydrophobicContact CB-CH2 3.32Å; A326-W397 HydrophobicContact CB-CZ2 4Å; A326-W397 HydrophobicContact CB-CZ3 3.58Å; P395-W397 WeakPolarHBondContact CG-O 3.49Å; W397-L401 HydrophobicContact CB-CD2 3.9Å; W397-L401 VanDerWaalsContact CD1-CD2 3.5Å; W397-L401 HydrophobicContact CD2-CD2 4.06Å; W397-L401 HydrophobicContact CG-CD2 3.54Å; W397-I403 HydrophobicContact CZ2-CG2 4.08Å; W397-I403 PolarHBondContact NE1-O 2.84Å; W397-S404 WeakPolarHBondContact CZ2-O 3.45Å; W397-L445 HydrophobicContact CH2-CD1 4.22Å; W397-L445 HydrophobicContact CH2-CD2 3.34Å; W397-L445 HydrophobicContact CH2-CG 4.44Å; W397-L445 HydrophobicContact CZ2-CD2 4.12Å; W397-L445 HydrophobicContact CZ3-CD1 4.07Å; W397-L445 HydrophobicContact CZ3-CD2 3.86Å
398	P	96.8	Very high	95.6	Very high	44 Å²	44	41.5 Å²	41.5	29%	0.286	25%	0.248	S	C	.	.			trans	-76.6	155.5	-178.6	32	-36.5	0	0	0	112.6	I278 N400 L401	I278-P398 HydrophobicContact CG1-CG 4.45Å; I278-P398 HydrophobicContact CG2-CG 3.72Å; P398-N400 VanDerWaalsContact CB-OD1 3.24Å; P398-N400 WeakPolarHBondContact CB-OD1 3.39Å; P398-N400 WeakPolarHBondContact CG-OD1 3.43Å; P398-N400 PolarHBondContact O-N 3.02Å; P398-N400 VanDerWaalsContact O-N 3.17Å; P398-L401 WeakPolarHBondContact O-CB 3.48Å; P398-L401 PolarHBondContact O-N 3.12Å
399	P	94.8	Very high	96.5	Very high	96 Å²	96	42.4 Å²	42.4	62%	0.623	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-59.8	-27.5	-177.9	-25.2	34.2	0	0	0	115	L401 G402	P399-L401 PolarHBondContact O-N 2.86Å; P399-L401 VanDerWaalsContact O-N 3.09Å; P399-G402 PolarHBondContact O-N 3.11Å
400	N	95.4	Very high	96.8	Very high	57 Å²	57	45.4 Å²	45.4	31%	0.305	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-68.9	-4	177.7	69.5	-42.9	0	0	0	113.5	D277 I278 P398 G402 Q412	D277-N400 PolarHBondContact O-ND2 2.83Å; I278-N400 WeakPolarHBondContact CG1-ND2 3.17Å; P398-N400 VanDerWaalsContact CB-OD1 3.24Å; P398-N400 WeakPolarHBondContact CB-OD1 3.39Å; P398-N400 WeakPolarHBondContact CG-OD1 3.43Å; P398-N400 PolarHBondContact O-N 3.02Å; P398-N400 VanDerWaalsContact O-N 3.17Å; N400-G402 VanDerWaalsContact C-N 3.27Å; N400-Q412 VanDerWaalsContact C-NE2 3.33Å; N400-Q412 PolarHBondContact O-NE2 3.01Å
401	L	97.3	Very high	96.5	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-65.1	-32.3	164.5	-172.7	58	0	0	0	111.9	I278 L281 T323 M327 W397 P398 P399 I403	I278-L401 HydrophobicContact CD1-CB 3.89Å; I278-L401 HydrophobicContact CD1-CD1 3.72Å; I278-L401 HydrophobicContact CD1-CG 4.42Å; L281-L401 HydrophobicContact CD1-CD1 3.59Å; L281-L401 HydrophobicContact CD1-CD2 4.44Å; T323-L401 HydrophobicContact CG2-CD2 3.57Å; M327-L401 HydrophobicContact CE-CD1 4.31Å; M327-L401 HydrophobicContact CG-CD1 4.24Å; M327-L401 HydrophobicContact CG-CD2 4.3Å; M327-L401 HydrophobicContact SD-CD1 4.14Å; W397-L401 HydrophobicContact CB-CD2 3.9Å; W397-L401 VanDerWaalsContact CD1-CD2 3.5Å; W397-L401 HydrophobicContact CD2-CD2 4.06Å; W397-L401 HydrophobicContact CG-CD2 3.54Å; P398-L401 WeakPolarHBondContact O-CB 3.48Å; P398-L401 PolarHBondContact O-N 3.12Å; P399-L401 PolarHBondContact O-N 2.86Å; P399-L401 VanDerWaalsContact O-N 3.09Å; L401-I403 HydrophobicContact CD2-CB 4.29Å; L401-I403 HydrophobicContact CD2-CD1 4.14Å; L401-I403 HydrophobicContact CD2-CG1 4.47Å; L401-I403 HydrophobicContact CG-CB 4.26Å; L401-I403 HydrophobicContact CG-CD1 4.04Å; L401-I403 HydrophobicContact CG-CG1 4.11Å
402	G	97.1	Very high	95.4	Very high	5 Å²	5	48 Å²	48	5%	0.052	26%	0.264	C	S	.	.			trans	70.1	33.3	-176.9	0	0	0	0	0	113.5	P399 N400 Y409 E410	P399-G402 PolarHBondContact O-N 3.11Å; N400-G402 VanDerWaalsContact C-N 3.27Å; G402-Y409 WeakPolarHBondContact O-CA 3.41Å; G402-E410 PolarHBondContact O-N 3.18Å
403	I	97.9	Very high	93.8	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-129.3	125.2	175.9	-62.9	178.3	0	0	0	108.1	M327 A330 W397 L401 V408 Y409	M327-I403 HydrophobicContact CB-CD1 4.13Å; M327-I403 HydrophobicContact CG-CD1 3.67Å; A330-I403 HydrophobicContact CB-CD1 3.88Å; A330-I403 HydrophobicContact CB-CG1 4.16Å; A330-I403 HydrophobicContact CB-CG2 4.21Å; W397-I403 HydrophobicContact CZ2-CG2 4.08Å; W397-I403 PolarHBondContact NE1-O 2.84Å; L401-I403 HydrophobicContact CD2-CB 4.29Å; L401-I403 HydrophobicContact CD2-CD1 4.14Å; L401-I403 HydrophobicContact CD2-CG1 4.47Å; L401-I403 HydrophobicContact CG-CB 4.26Å; L401-I403 HydrophobicContact CG-CD1 4.04Å; L401-I403 HydrophobicContact CG-CG1 4.11Å; I403-V408 WeakPolarHBondContact CA-O 3.4Å; I403-Y409 HydrophobicContact CD1-CD1 4.41Å; I403-Y409 HydrophobicContact CD1-CE1 4.05Å; I403-Y409 HydrophobicContact CG1-CD1 3.87Å; I403-Y409 HydrophobicContact CG1-CE1 4.01Å
404	S	97.1	Very high	91.9	Very high	21 Å²	21	59.5 Å²	59.5	15%	0.147	32%	0.319	C	S	.	.			trans	-74.4	168	178.7	70.7	0	0	0	0	112.2	W397 N406 C407 V408 E410	W397-S404 WeakPolarHBondContact CZ2-O 3.45Å; S404-N406 PolarHBondContact O-N 2.99Å; S404-N406 PolarHBondContact OG-N 2.86Å; S404-C407 PolarHBondContact O-N 3.14Å; S404-V408 PolarHBondContact N-O 2.86Å; S404-V408 VanDerWaalsContact OG-CG2 3.27Å; S404-V408 WeakPolarHBondContact OG-CG2 3.34Å; S404-V408 PolarHBondContact OG-O 2.97Å; S404-E410 WeakPolarHBondContact CB-OE2 3.35Å
405	Q	96.8	Very high	89.8	Confident	41 Å²	41	61 Å²	61	19%	0.192	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.3	175	-63.5	-64.2	111.9	0	0	114	Y371 C407 N444 L445 Q446	Y371-Q405 PolarHBondContact OH-NE2 3.04Å; Y371-Q405 VanDerWaalsContact OH-NE2 3.12Å; Q405-C407 VanDerWaalsContact C-N 3.27Å; Q405-N444 PolarHBondContact NE2-O 3.11Å; Q405-L445 HydrophobicContact CB-CD2 4.36Å; Q405-L445 VanDerWaalsContact NE2-CD2 3.29Å; Q405-L445 WeakPolarHBondContact O-CA 3.26Å; Q405-Q446 PolarHBondContact O-N 3.33Å
406	N	97.3	Very high	87	Confident	63 Å²	63	68.1 Å²	68.1	34%	0.337	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	8.1	172.7	-65.4	-24	0	0	0	113.1	S404 V408 Q446	S404-N406 PolarHBondContact O-N 2.99Å; S404-N406 PolarHBondContact OG-N 2.86Å; N406-V408 VanDerWaalsContact C-N 3.33Å; N406-V408 HydrophobicContact CB-CG2 4.41Å; N406-V408 PolarHBondContact O-N 3.4Å; N406-Q446 CarbonylContact C-O 3.55Å; N406-Q446 WeakPolarHBondContact CA-O 3.35Å; N406-Q446 VanDerWaalsContact O-O 3.12Å; N406-Q446 PolarHBondContact OD1-OE1 3.43Å
407	C	97.9	Very high	84.3	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.007	39%	0.394	C	S	.	.	S	Bend	trans	56.1	43.5	-179.2	-55.4	0	0	0	0	113.3	A326 L329 A330 F363 S404 Q405 Q446 H447	A326-C407 HydrophobicContact CB-CB 4.41Å; L329-C407 CarbonylContact C-O 3.5Å; L329-C407 HydrophobicContact CB-CB 3.89Å; L329-C407 HydrophobicContact CD1-CB 4.27Å; A330-C407 WeakPolarHBondContact CA-O 3.19Å; A330-C407 PolarHBondContact N-O 3.5Å; F363-C407 VanDerWaalsContact CZ-SG 3.59Å; S404-C407 PolarHBondContact O-N 3.14Å; Q405-C407 VanDerWaalsContact C-N 3.27Å; C407-Q446 PolarHBondContact N-O 3.18Å; C407-Q446 PolarHBondContact SG-O 2.88Å; C407-Q446 VanDerWaalsContact SG-O 3.34Å; C407-H447 HydrophobicContact CB-CB 4.4Å
408	V	97.9	Very high	81.4	Confident	36 Å²	36	80.3 Å²	80.3	22%	0.218	43%	0.426	C	S	.	.	S	Bend	trans	-126.4	150.4	171.3	-60.7	0	0	0	0	109.7	S333 I403 S404 N406	S333-V408 WeakPolarHBondContact OG-CG1 3.3Å; I403-V408 WeakPolarHBondContact CA-O 3.4Å; S404-V408 PolarHBondContact N-O 2.86Å; S404-V408 VanDerWaalsContact OG-CG2 3.27Å; S404-V408 WeakPolarHBondContact OG-CG2 3.34Å; S404-V408 PolarHBondContact OG-O 2.97Å; N406-V408 VanDerWaalsContact C-N 3.33Å; N406-V408 HydrophobicContact CB-CG2 4.41Å; N406-V408 PolarHBondContact O-N 3.4Å
409	Y	97.8	Very high	78.9	Confident	105 Å²	105	87.7 Å²	87.7	41%	0.412	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-61	140	175.3	-67.8	-57.9	0	0	0	111.4	A330 E331 G402 I403	A330-Y409 HydrophobicContact CB-CD1 4.14Å; A330-Y409 HydrophobicContact CB-CD2 4.32Å; A330-Y409 HydrophobicContact CB-CE1 3.93Å; A330-Y409 HydrophobicContact CB-CE2 4.13Å; A330-Y409 HydrophobicContact CB-CG 4.3Å; E331-Y409 PolarHBondContact OE2-OH 3.22Å; G402-Y409 WeakPolarHBondContact O-CA 3.41Å; I403-Y409 HydrophobicContact CD1-CD1 4.41Å; I403-Y409 HydrophobicContact CD1-CE1 4.05Å; I403-Y409 HydrophobicContact CG1-CD1 3.87Å; I403-Y409 HydrophobicContact CG1-CE1 4.01Å
410	E	94	Very high	76	Confident	88 Å²	88	88.5 Å²	88.5	41%	0.411	46%	0.457	S	S	.	.			trans	-126.2	146.7	176.6	61.1	-178.6	-170.3	0	0	111.3	G402 S404 Q412	G402-E410 PolarHBondContact O-N 3.18Å; S404-E410 WeakPolarHBondContact CB-OE2 3.35Å; E410-Q412 PolarHBondContact O-N 3.17Å
411	V	87	Confident	73.6	Confident	137 Å²	137	93.7 Å²	93.7	83%	0.83	49%	0.485	S	S	*	.			trans	-73.5	113.1	173.5	-178.4	0	0	0	0	108.1	Q413	V411-Q413 PolarHBondContact O-N 2.93Å; V411-Q413 VanDerWaalsContact O-N 3.15Å
412	Q	74.1	Confident	70.8	Confident	104 Å²	104	97.7 Å²	97.7	49%	0.486	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-63.4	117	177.6	-64.1	-175.9	20.4	0	0	109.9	N400 E410 V414	N400-Q412 VanDerWaalsContact C-NE2 3.33Å; N400-Q412 PolarHBondContact O-NE2 3.01Å; E410-Q412 PolarHBondContact O-N 3.17Å; Q412-V414 PolarHBondContact O-N 2.85Å
413	Q	64.4	Low	68.4	Low	184 Å²	184	105.6 Å²	105.6	86%	0.86	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-78.5	120	171.8	-61.6	-173.7	16.3	0	0	108.7	V411	V411-Q413 PolarHBondContact O-N 2.93Å; V411-Q413 VanDerWaalsContact O-N 3.15Å
414	V	57.2	Low	65.5	Low	127 Å²	127	111.7 Å²	111.7	77%	0.77	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-64.2	131	170.8	-173.7	0	0	0	0	107.6	Q412 K416	Q412-V414 PolarHBondContact O-N 2.85Å; V414-K416 PolarHBondContact O-N 3.11Å
415	P	53.1	Low	62.8	Low	108 Å²	108	115.8 Å²	115.8	70%	0.701	61%	0.61	S	S	*	*			trans	-56.2	112.6	171.5	-20.5	30.4	0	0	0	108.6	V417	P415-V417 PolarHBondContact O-N 3.23Å
416	K	38.2	Very low	60.1	Low	186 Å²	186	122.5 Å²	122.5	81%	0.809	64%	0.642	S	S	*	*			trans	-63.6	100	172.5	-92.8	-177.1	174.4	-179.6	0	107.7	V414 E418	V414-K416 PolarHBondContact O-N 3.11Å; K416-E418 VanDerWaalsContact C-N 3.27Å; K416-E418 PolarHBondContact O-N 3.01Å; K416-E418 VanDerWaalsContact O-N 3.07Å
417	V	41.1	Very low	57.2	Low	125 Å²	125	125.7 Å²	125.7	76%	0.758	66%	0.664	S	S	*	*			trans	-74.4	91.2	160.7	-178.5	0	0	0	0	105.9	P415 K419	P415-V417 PolarHBondContact O-N 3.23Å; V417-K419 PolarHBondContact O-N 3.31Å; V417-K419 VanDerWaalsContact O-N 3.09Å
418	E	37	Very low	54.3	Low	149 Å²	149	132.2 Å²	132.2	70%	0.696	69%	0.694	S	S	*	*			trans	-65	106.9	165.6	-74.1	-174.1	168.5	0	0	107.7	K416 T420	K416-E418 VanDerWaalsContact C-N 3.27Å; K416-E418 PolarHBondContact O-N 3.01Å; K416-E418 VanDerWaalsContact O-N 3.07Å; E418-T420 VanDerWaalsContact C-N 3.35Å; E418-T420 PolarHBondContact O-N 3.44Å; E418-T420 VanDerWaalsContact O-N 3.13Å
419	K	43.1	Very low	51.3	Low	199 Å²	199	136.1 Å²	136.1	87%	0.865	71%	0.713	S	S	*	*			trans	-73.2	94.5	162.3	-74.6	-176.2	176.6	-177.7	0	107.2	V417 D421	V417-K419 PolarHBondContact O-N 3.31Å; V417-K419 VanDerWaalsContact O-N 3.09Å; K419-D421 PolarHBondContact O-N 2.95Å
420	T	35.2	Very low	48.2	Very low	112 Å²	112	140.9 Å²	140.9	69%	0.687	74%	0.736	S	S	*	*			trans	-86.1	101.8	162.3	37	0	0	0	0	108.7	E418 S422	E418-T420 VanDerWaalsContact C-N 3.35Å; E418-T420 PolarHBondContact O-N 3.44Å; E418-T420 VanDerWaalsContact O-N 3.13Å; T420-S422 PolarHBondContact O-N 3.3Å
421	D	43.6	Very low	45.4	Very low	166 Å²	166	145.5 Å²	145.5	89%	0.888	76%	0.757	S	S	*	*			trans	-66.3	103.1	153.3	-93.7	-29.6	0	0	0	107.2	K419	K419-D421 PolarHBondContact O-N 2.95Å
422	S	40.1	Very low	42.9	Very low	91 Å²	91	144.9 Å²	144.9	64%	0.636	75%	0.754	S	S	*	*			trans	-176.9	125.6	152	30.3	0	0	0	0	111.8	T420 L424	T420-S422 PolarHBondContact O-N 3.3Å; S422-L424 PolarHBondContact O-N 3.09Å
423	D	45.9	Very low	41.1	Very low	170 Å²	170	147.9 Å²	147.9	91%	0.909	77%	0.768	S	S	*	*			trans	-52.8	110.3	166.1	-94.8	-34.3	0	0	0	111.1
424	L	37.6	Very low	39.8	Very low	132 Å²	132	145.3 Å²	145.3	69%	0.691	77%	0.765	S	S	*	*			trans	-138.1	129.6	164	-80.2	169.7	0	0	0	110.9	S422	S422-L424 PolarHBondContact O-N 3.09Å
425	T	38.8	Very low	38.7	Very low	107 Å²	107	147 Å²	147	66%	0.656	77%	0.768	S	S	*	*			trans	-51.9	143	-171.6	40	0	0	0	0	115.2	T427	T425-T427 PolarHBondContact O-N 3.25Å
426	Q	41.4	Very low	37.8	Very low	183 Å²	183	148.2 Å²	148.2	86%	0.855	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	9.5	-176.3	-85.5	-179.9	-15.3	0	0	118.2
427	T	37	Very low	37.7	Very low	129 Å²	129	144.8 Å²	144.8	79%	0.791	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	-2.1	-174.1	-17.3	0	0	0	0	114.3	T425	T425-T427 PolarHBondContact O-N 3.25Å
428	Q	35.6	Very low	37.6	Very low	139 Å²	139	143.4 Å²	143.4	65%	0.65	77%	0.77	S	S	*	*	S	Bend	trans	-110.4	-4.8	173	-76.8	-179.9	-24.4	0	0	114.6	K430	Q428-K430 PolarHBondContact O-N 3.32Å; Q428-K430 VanDerWaalsContact O-N 3.12Å
429	L	35.8	Very low	38.2	Very low	117 Å²	117	144.4 Å²	144.4	61%	0.613	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	4.2	179.9	-84.8	156.8	0	0	0	115.6
430	K	33	Very low	38.9	Very low	205 Å²	205	144.4 Å²	144.4	89%	0.891	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	-3.9	178.6	-85	-173.2	176.3	-178.7	0	115.2	Q428	Q428-K430 PolarHBondContact O-N 3.32Å; Q428-K430 VanDerWaalsContact O-N 3.12Å
431	Q	35.3	Very low	40.8	Very low	185 Å²	185	145 Å²	145	86%	0.864	77%	0.773	S	S	*	*	S	Bend	trans	-129.7	4.7	-174.5	-85.8	179.2	-21.6	0	0	115.2
432	T	33.5	Very low	42.8	Very low	124 Å²	124	139.8 Å²	139.8	76%	0.761	75%	0.75	S	S	*	*	S	Bend	trans	-123.6	15.5	-175.9	-33.8	0	0	0	0	113.8
433	E	35.4	Very low	45.4	Very low	168 Å²	168	136.1 Å²	136.1	79%	0.785	72%	0.724	S	S	*	*	S	Bend	trans	-110	10.6	172.2	-89.1	-170.9	164.5	0	0	114.1
434	V	38	Very low	47.8	Very low	130 Å²	130	130.2 Å²	130.2	79%	0.788	69%	0.693	S	S	*	*	S	Bend	trans	-129.3	65.6	178.7	-168.1	0	0	0	0	110.1
435	L	33.2	Very low	50.7	Low	161 Å²	161	124 Å²	124	84%	0.843	66%	0.66	S	S	*	*			trans	-156.6	29.3	163.7	-110.7	141.9	0	0	0	112.8	T437	L435-T437 PolarHBondContact O-N 3Å
436	V	35.6	Very low	53.5	Low	135 Å²	135	121.7 Å²	121.7	82%	0.818	64%	0.642	S	S	*	*	S	Bend	trans	-72.5	110.8	144.1	-177.9	0	0	0	0	103.8	A438	V436-A438 PolarHBondContact O-N 3.44Å
437	T	35.3	Very low	56.2	Low	114 Å²	114	113.4 Å²	113.4	70%	0.699	60%	0.603	S	S	*	*			trans	-44.1	107	171.6	35.4	0	0	0	0	108.3	L435 E439	L435-T437 PolarHBondContact O-N 3Å; T437-E439 PolarHBondContact O-N 3.18Å
438	A	39.2	Very low	58.9	Low	95 Å²	95	111.5 Å²	111.5	79%	0.785	59%	0.585	S	S	*	*			trans	-65.8	83.6	170	0	0	0	0	0	106.1	V436 K440	V436-A438 PolarHBondContact O-N 3.44Å; A438-K440 VanDerWaalsContact C-N 3.34Å; A438-K440 PolarHBondContact O-N 2.99Å
439	E	50.6	Low	61.7	Low	170 Å²	170	105.5 Å²	105.5	79%	0.794	56%	0.557	S	S	*	*			trans	-53	110.7	161.2	-79.3	-174.5	159.8	0	0	105.3	T437 L441	T437-E439 PolarHBondContact O-N 3.18Å; E439-L441 PolarHBondContact O-N 2.89Å
440	K	57.3	Low	64.5	Low	199 Å²	199	100.9 Å²	100.9	87%	0.865	53%	0.534	S	S	*	.			trans	-59.5	101.5	-175.1	-167.4	177.4	-176.6	-177.2	0	106.6	A438 S442	A438-K440 VanDerWaalsContact C-N 3.34Å; A438-K440 PolarHBondContact O-N 2.99Å; K440-S442 PolarHBondContact O-N 2.65Å
441	L	74.6	Confident	67.6	Low	125 Å²	125	91.3 Å²	91.3	65%	0.654	49%	0.493	S	S	*	.			trans	-50.8	116.4	179.5	-75.6	165	0	0	0	108	I394 E439	I394-L441 HydrophobicContact CG2-CB 4.01Å; E439-L441 PolarHBondContact O-N 2.89Å
442	S	86.3	Confident	70.5	Confident	56 Å²	56	83.9 Å²	83.9	39%	0.392	46%	0.461	S	S	.	.			trans	-86.9	133.8	-170.7	-179.1	0	0	0	0	110	Y371 K440 N444	Y371-S442 PolarHBondContact OH-O 3.39Å; Y371-S442 VanDerWaalsContact OH-O 3.11Å; K440-S442 PolarHBondContact O-N 2.65Å; S442-N444 PolarHBondContact O-N 2.65Å; S442-N444 WeakPolarHBondContact OG-CB 3.43Å; S442-N444 PolarHBondContact OG-N 3.12Å; S442-N444 PolarHBondContact OG-ND2 3.33Å
443	S	94.4	Very high	73.6	Confident	15 Å²	15	78.7 Å²	78.7	11%	0.105	43%	0.43	C	S	.	.	S	Bend	trans	-75.7	25.6	171.3	60.9	0	0	0	0	112.8	N370 Y371	N370-S443 WeakPolarHBondContact CA-O 3.28Å; N370-S443 PolarHBondContact OD1-O 3.06Å; N370-S443 PolarHBondContact OD1-OG 3.2Å; N370-S443 VanDerWaalsContact OD1-OG 3.12Å; Y371-S443 WeakPolarHBondContact CD1-O 3.3Å; Y371-S443 WeakPolarHBondContact CE1-O 3.26Å; Y371-S443 PolarHBondContact N-O 2.82Å
444	N	96.9	Very high	76.6	Confident	46 Å²	46	70.8 Å²	70.8	25%	0.246	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.7	-178.7	-59.8	-90	0	0	0	110.4	L369 N370 Q405 S442	L369-N444 CarbonylContact O-C 3.52Å; L369-N444 VanDerWaalsContact O-CA 3.28Å; L369-N444 WeakPolarHBondContact O-CA 3.44Å; N370-N444 WeakPolarHBondContact CA-OD1 3.14Å; N370-N444 WeakPolarHBondContact CB-OD1 3.47Å; Q405-N444 PolarHBondContact NE2-O 3.11Å; S442-N444 PolarHBondContact O-N 2.65Å; S442-N444 WeakPolarHBondContact OG-CB 3.43Å; S442-N444 PolarHBondContact OG-N 3.12Å; S442-N444 PolarHBondContact OG-ND2 3.33Å
445	L	97.9	Very high	79.5	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	148.3	164.1	-74	-177.9	0	0	0	109.1	L322 F363 K368 L369 Y371 I396 W397 Q405	L322-L445 HydrophobicContact CD2-CD1 4.43Å; F363-L445 HydrophobicContact CD2-CB 4.23Å; F363-L445 HydrophobicContact CE1-CD1 4.43Å; F363-L445 HydrophobicContact CE2-CB 3.71Å; F363-L445 HydrophobicContact CZ-CB 3.99Å; F363-L445 HydrophobicContact CZ-CD1 4.44Å; K368-L445 CarbonylContact C-O 3.55Å; K368-L445 VanDerWaalsContact CA-O 3.22Å; K368-L445 WeakPolarHBondContact CA-O 3.34Å; L369-L445 PolarHBondContact N-O 2.79Å; L369-L445 PolarHBondContact O-N 2.75Å; Y371-L445 HydrophobicContact CD1-CG 4.02Å; Y371-L445 HydrophobicContact CE1-CD2 4.39Å; Y371-L445 HydrophobicContact CE1-CG 3.81Å; I396-L445 HydrophobicContact CD1-CD1 3.86Å; I396-L445 HydrophobicContact CD1-CG 4.34Å; W397-L445 HydrophobicContact CH2-CD1 4.22Å; W397-L445 HydrophobicContact CH2-CD2 3.34Å; W397-L445 HydrophobicContact CH2-CG 4.44Å; W397-L445 HydrophobicContact CZ2-CD2 4.12Å; W397-L445 HydrophobicContact CZ3-CD1 4.07Å; W397-L445 HydrophobicContact CZ3-CD2 3.86Å; Q405-L445 HydrophobicContact CB-CD2 4.36Å; Q405-L445 VanDerWaalsContact NE2-CD2 3.29Å; Q405-L445 WeakPolarHBondContact O-CA 3.26Å
446	Q	98.1	Very high	82.4	Confident	59 Å²	59	60 Å²	60	28%	0.276	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.8	171.9	-66.9	82.6	18.2	0	0	111.1	G367 K368 Q405 N406 C407	G367-Q446 CarbonylContact O-C 3.53Å; G367-Q446 WeakPolarHBondContact O-CA 3.43Å; K368-Q446 HydrophobicContact CB-CG 4.24Å; Q405-Q446 PolarHBondContact O-N 3.33Å; N406-Q446 CarbonylContact C-O 3.55Å; N406-Q446 WeakPolarHBondContact CA-O 3.35Å; N406-Q446 VanDerWaalsContact O-O 3.12Å; N406-Q446 PolarHBondContact OD1-OE1 3.43Å; C407-Q446 PolarHBondContact N-O 3.18Å; C407-Q446 PolarHBondContact SG-O 2.88Å; C407-Q446 VanDerWaalsContact SG-O 3.34Å
447	H	97.3	Very high	85.4	Confident	10 Å²	10	54 Å²	54	5%	0.046	30%	0.299	C	S	.	.			trans	-143.7	160.5	160.2	66.8	63.7	0	0	0	110.2	L329 F363 I364 G367 C407 F449	L329-H447 HydrophobicContact CD1-CB 4.22Å; F363-H447 AromaticContact CE2-CD2 3.85Å; F363-H447 HydrophobicContact CZ-CB 4.42Å; F363-H447 AromaticContact CZ-CD2 3.78Å; F363-H447 PolarHBondContact O-NE2 2.75Å; F363-H447 VanDerWaalsContact O-NE2 3.13Å; I364-H447 WeakPolarHBondContact CA-NE2 3.42Å; I364-H447 PolarHBondContact O-CE1 3.32Å; I364-H447 PolarHBondContact O-NE2 2.85Å; I364-H447 VanDerWaalsContact O-NE2 3.08Å; G367-H447 WeakPolarHBondContact CA-CE1 3.07Å; G367-H447 PolarHBondContact O-N 2.92Å; C407-H447 HydrophobicContact CB-CB 4.4Å; H447-F449 HydrophobicContact CB-CD2 4.26Å; H447-F449 PolarHBondContact CE1-O 3.23Å; H447-F449 VanDerWaalsContact CE1-O 3.28Å; H447-F449 AromaticContact ND1-CD2 3.87Å; H447-F449 PolarHBondContact ND1-N 3.21Å; H447-F449 PolarHBondContact ND1-O 2.89Å
448	H	94.2	Very high	88.3	Confident	88 Å²	88	54.3 Å²	54.3	41%	0.407	29%	0.288	S	S	.	.	S	Bend	trans	-93.2	2	-171.7	-59.5	-55	0	0	0	114.9	F343	F343-H448 HydrophobicContact CE2-CB 3.87Å; F343-H448 HydrophobicContact CZ-CB 4.42Å
449	F	94.6	Very high	90.9	Very high	14 Å²	14	51.9 Å²	51.9	6%	0.061	26%	0.26	C	S	.	.			trans	-85.1	149	179.7	-44.3	-57.3	0	0	0	113.1	L329 I332 F343 I346 H447 L451	L329-F449 HydrophobicContact CB-CE2 4.11Å; L329-F449 HydrophobicContact CD2-CD2 3.83Å; L329-F449 HydrophobicContact CD2-CE2 3.7Å; L329-F449 HydrophobicContact CG-CE2 4.47Å; I332-F449 HydrophobicContact CB-CE2 4.48Å; I332-F449 HydrophobicContact CB-CZ 4.16Å; I332-F449 HydrophobicContact CG2-CE1 4.12Å; I332-F449 HydrophobicContact CG2-CE2 4.18Å; I332-F449 HydrophobicContact CG2-CZ 3.72Å; F343-F449 HydrophobicContact CD1-CE1 4.12Å; F343-F449 HydrophobicContact CD2-CD1 4.03Å; F343-F449 HydrophobicContact CD2-CE1 4.07Å; F343-F449 HydrophobicContact CE1-CE1 4.12Å; F343-F449 HydrophobicContact CE2-CD1 4.22Å; F343-F449 HydrophobicContact CE2-CE1 4.05Å; F343-F449 HydrophobicContact CG-CD1 4.33Å; F343-F449 HydrophobicContact CG-CE1 4.11Å; F343-F449 HydrophobicContact CZ-CE1 4.08Å; I346-F449 HydrophobicContact CD1-CD1 3.48Å; I346-F449 VanDerWaalsContact CD1-CD1 3.48Å; I346-F449 HydrophobicContact CD1-CE1 3.69Å; I346-F449 HydrophobicContact CD1-CG 4.14Å; I346-F449 HydrophobicContact CD1-CZ 4.47Å; H447-F449 HydrophobicContact CB-CD2 4.26Å; H447-F449 PolarHBondContact CE1-O 3.23Å; H447-F449 VanDerWaalsContact CE1-O 3.28Å; H447-F449 AromaticContact ND1-CD2 3.87Å; H447-F449 PolarHBondContact ND1-N 3.21Å; H447-F449 PolarHBondContact ND1-O 2.89Å; F449-L451 HydrophobicContact CB-CD1 4.07Å; F449-L451 HydrophobicContact CB-CD2 4.14Å; F449-L451 HydrophobicContact CB-CG 3.76Å
450	S	94.9	Very high	92.7	Very high	19 Å²	19	49.3 Å²	49.3	13%	0.133	26%	0.258	C	S	.	.			trans	-105.1	92.5	168.7	-174.5	0	0	0	0	109.3	S484 A485 K487	S450-S484 WeakPolarHBondContact O-CA 3.47Å; S450-A485 PolarHBondContact O-N 2.76Å; S450-A485 VanDerWaalsContact O-N 3.12Å; S450-A485 PolarHBondContact OG-O 3.04Å; S450-K487 WeakPolarHBondContact OG-CG 3.41Å
451	L	96.4	Very high	94.3	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.9	-171.1	-62.5	175.3	0	0	0	112.7	M348 I364 K365 F449 Y483	M348-L451 HydrophobicContact CE-CD1 4.04Å; I364-L451 HydrophobicContact CG2-CD1 3.9Å; K365-L451 PolarHBondContact NZ-O 2.56Å; F449-L451 HydrophobicContact CB-CD1 4.07Å; F449-L451 HydrophobicContact CB-CD2 4.14Å; F449-L451 HydrophobicContact CB-CG 3.76Å; L451-Y483 WeakPolarHBondContact CA-O 3.44Å
452	S	97.1	Very high	95.1	Very high	30 Å²	30	45.7 Å²	45.7	21%	0.21	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.7	169.2	-78.2	0	0	0	0	111.9	F482 Y483 A485	S452-F482 CarbonylContact O-C 3.24Å; S452-F482 WeakPolarHBondContact O-CA 3.49Å; S452-Y483 PolarHBondContact N-O 2.82Å; S452-Y483 WeakPolarHBondContact O-CD1 3.31Å; S452-Y483 PolarHBondContact O-N 2.84Å; S452-A485 WeakPolarHBondContact OG-CB 3.31Å
453	S	98.1	Very high	95.5	Very high	15 Å²	15	45.2 Å²	45.2	11%	0.105	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	136.5	168.3	171.6	0	0	0	0	108.4	Y455 H457	S453-Y455 VanDerWaalsContact C-N 3.25Å; S453-Y455 WeakPolarHBondContact CB-O 3.08Å; S453-Y455 PolarHBondContact O-N 3.14Å; S453-Y455 PolarHBondContact OG-N 3.21Å; S453-Y455 PolarHBondContact OG-O 2.97Å; S453-H457 PolarHBondContact OG-CE1 3.23Å; S453-H457 VanDerWaalsContact OG-CE1 3.23Å; S453-H457 PolarHBondContact OG-NE2 3.26Å
454	V	98.3	Very high	95.6	Very high	2 Å²	2	48 Å²	48	1%	0.012	27%	0.27	C	S	.	.	S	Bend	trans	-61	-38.3	171.9	168.9	0	0	0	0	111.6	I481 Y483 L506 R509 A538 F540	V454-I481 HydrophobicContact CB-CB 4.26Å; V454-I481 HydrophobicContact CG2-CB 3.79Å; V454-I481 HydrophobicContact CG2-CG2 3.71Å; V454-I481 WeakPolarHBondContact CG2-O 3.34Å; V454-I481 PolarHBondContact N-O 3.4Å; V454-Y483 HydrophobicContact CG2-CD1 3.84Å; V454-Y483 HydrophobicContact CG2-CE1 4.05Å; V454-L506 HydrophobicContact CG1-CD1 4.05Å; V454-L506 HydrophobicContact CG1-CD2 4.16Å; V454-L506 HydrophobicContact CG2-CD1 4.17Å; V454-R509 HydrophobicContact CG1-CB 3.61Å; V454-R509 HydrophobicContact CG1-CG 4.5Å; V454-R509 VanDerWaalsContact O-CD 3.29Å; V454-R509 WeakPolarHBondContact O-CD 3.44Å; V454-R509 PolarHBondContact O-NH1 2.92Å; V454-A538 HydrophobicContact CG1-CB 3.89Å; V454-A538 HydrophobicContact CG2-CB 3.84Å; V454-F540 HydrophobicContact CG2-CE1 3.99Å; V454-F540 HydrophobicContact CG2-CZ 3.52Å
455	Y	98.3	Very high	95.6	Very high	6 Å²	6	49.2 Å²	49.2	2%	0.024	28%	0.28	C	S	.	.			trans	-96.6	143.7	-175.8	-67.1	-86.5	0	0	0	110.9	S453 H457 R509 L510 L512 L536 L537	S453-Y455 VanDerWaalsContact C-N 3.25Å; S453-Y455 WeakPolarHBondContact CB-O 3.08Å; S453-Y455 PolarHBondContact O-N 3.14Å; S453-Y455 PolarHBondContact OG-N 3.21Å; S453-Y455 PolarHBondContact OG-O 2.97Å; Y455-H457 PolarHBondContact O-CE1 3.33Å; Y455-H457 PolarHBondContact O-NE2 3.46Å; Y455-H457 VanDerWaalsContact O-NE2 3.17Å; Y455-R509 HydrophobicContact CE1-CB 4.48Å; Y455-L510 VanDerWaalsContact CE1-O 3.22Å; Y455-L510 WeakPolarHBondContact CE1-O 3.45Å; Y455-L510 PolarHBondContact OH-O 3.45Å; Y455-L512 HydrophobicContact CD1-CD1 3.54Å; Y455-L512 HydrophobicContact CD1-CG 3.83Å; Y455-L512 HydrophobicContact CE1-CD1 3.87Å; Y455-L512 HydrophobicContact CE1-CG 3.67Å; Y455-L512 HydrophobicContact CG-CD1 3.94Å; Y455-L536 HydrophobicContact CD2-CD2 3.63Å; Y455-L536 HydrophobicContact CD2-CG 3.99Å; Y455-L536 HydrophobicContact CE2-CB 3.74Å; Y455-L536 HydrophobicContact CE2-CD2 3.51Å; Y455-L536 HydrophobicContact CE2-CG 3.4Å; Y455-L537 PolarHBondContact OH-N 3.27Å; Y455-L537 PolarHBondContact OH-O 2.65Å
456	S	95.8	Very high	95.6	Very high	57 Å²	57	49.4 Å²	49.4	40%	0.399	28%	0.28	S	S	.	.			trans	-88.3	-11.7	179.6	44.1	0	0	0	0	112.5	Y458 R509	S456-Y458 PolarHBondContact O-N 2.97Å; S456-Y458 VanDerWaalsContact O-N 3.13Å; S456-Y458 PolarHBondContact OG-O 3.28Å; S456-R509 VanDerWaalsContact N-NH1 3.16Å; S456-R509 PolarHBondContact OG-NH1 2.67Å; S456-R509 PolarHBondContact OG-NH2 3.13Å; S456-R509 VanDerWaalsContact OG-NH2 3.14Å
457	H	97.5	Very high	95.6	Very high	9 Å²	9	46.8 Å²	46.8	4%	0.042	27%	0.268	C	S	.	.	S	Bend	trans	73.6	-10.8	175.7	-46.8	-56.3	0	0	0	115.6	P356 Y361 S453 Y455 P465 E466 Y480	P356-H457 HydrophobicContact CB-CB 3.64Å; P356-H457 HydrophobicContact CG-CB 3.59Å; P356-H457 VanDerWaalsContact CG-CG 3.43Å; Y361-H457 AromaticContact CE2-CE1 3.97Å; Y361-H457 AromaticContact CE2-NE2 3.34Å; Y361-H457 VanDerWaalsContact CE2-NE2 3.34Å; Y361-H457 WeakPolarHBondContact CE2-NE2 3.29Å; Y361-H457 AromaticContact CZ-CD2 3.81Å; Y361-H457 AromaticContact CZ-NE2 3.29Å; Y361-H457 VanDerWaalsContact CZ-NE2 3.29Å; Y361-H457 PolarHBondContact OH-CD2 3.17Å; Y361-H457 PolarHBondContact OH-NE2 2.79Å; S453-H457 PolarHBondContact OG-CE1 3.23Å; S453-H457 VanDerWaalsContact OG-CE1 3.23Å; S453-H457 PolarHBondContact OG-NE2 3.26Å; Y455-H457 PolarHBondContact O-CE1 3.33Å; Y455-H457 PolarHBondContact O-NE2 3.46Å; Y455-H457 VanDerWaalsContact O-NE2 3.17Å; H457-P465 WeakPolarHBondContact O-CA 3.46Å; H457-E466 WeakPolarHBondContact CA-OE2 3.25Å; H457-E466 PolarHBondContact N-OE2 3.4Å; H457-E466 PolarHBondContact O-N 2.86Å; H457-Y480 AromaticContact CE1-CD1 3.68Å; H457-Y480 AromaticContact CE1-CE1 3.43Å; H457-Y480 VanDerWaalsContact CE1-CE1 3.43Å; H457-Y480 WeakPolarHBondContact CE1-CE1 3.31Å
458	Y	96.8	Very high	95.7	Very high	122 Å²	122	46.3 Å²	46.3	48%	0.478	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-138.3	140.7	177.2	-58.2	-88.5	0	0	0	109.3	S456 G463 I464 P465	S456-Y458 PolarHBondContact O-N 2.97Å; S456-Y458 VanDerWaalsContact O-N 3.13Å; S456-Y458 PolarHBondContact OG-O 3.28Å; Y458-G463 WeakPolarHBondContact CD1-O 3.27Å; Y458-I464 WeakPolarHBondContact CA-O 3.18Å; Y458-P465 HydrophobicContact CD1-CB 4.36Å; Y458-P465 HydrophobicContact CD1-CG 4.27Å; Y458-P465 HydrophobicContact CE1-CB 4.26Å; Y458-P465 HydrophobicContact CE1-CG 4.02Å
459	F	92.7	Very high	95.9	Very high	43 Å²	43	42.3 Å²	42.3	19%	0.189	25%	0.248	C	C	.	.			trans	-69.2	128.8	171.1	-70.1	-81.6	0	0	0	109.6	D461 T462 G463 I464 E466 L512 T514	F459-D461 VanDerWaalsContact C-N 3.32Å; F459-D461 PolarHBondContact O-N 3.09Å; F459-T462 PolarHBondContact O-N 2.91Å; F459-G463 WeakPolarHBondContact O-CA 3.21Å; F459-G463 PolarHBondContact O-N 3.09Å; F459-I464 HydrophobicContact CD2-CB 4.49Å; F459-I464 WeakPolarHBondContact CD2-O 3.42Å; F459-I464 PolarHBondContact N-O 3.13Å; F459-E466 HydrophobicContact CD2-CG 4.13Å; F459-E466 HydrophobicContact CE2-CG 3.82Å; F459-E466 HydrophobicContact CZ-CG 4.11Å; F459-L512 WeakPolarHBondContact CZ-O 3.42Å; F459-T514 HydrophobicContact CD2-CG2 3.81Å; F459-T514 HydrophobicContact CE2-CG2 3.39Å; F459-T514 HydrophobicContact CZ-CG2 4.21Å
460	P	89.1	Confident	96.1	Very high	116 Å²	116	41.7 Å²	41.7	75%	0.753	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-35.5	-171.1	24.2	-33.9	0	0	0	113.2
461	D	90.7	Very high	96.2	Very high	160 Å²	160	41.3 Å²	41.3	86%	0.856	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-29.5	-175.5	-63.7	-32.3	0	0	0	113.3	F459	F459-D461 VanDerWaalsContact C-N 3.32Å; F459-D461 PolarHBondContact O-N 3.09Å
462	T	92.1	Very high	96.2	Very high	88 Å²	88	43.6 Å²	43.6	54%	0.54	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-18.8	-169.5	61.6	0	0	0	0	113.6	F459 I464	F459-T462 PolarHBondContact O-N 2.91Å; T462-I464 HydrophobicContact CG2-CD1 4.37Å; T462-I464 PolarHBondContact O-N 2.69Å; T462-I464 WeakPolarHBondContact OG1-CG1 3.49Å; T462-I464 PolarHBondContact OG1-N 3.3Å
463	G	94.2	Very high	96.1	Very high	47 Å²	47	51.1 Å²	51.1	49%	0.485	28%	0.282	S	S	.	.			trans	65.3	9.9	-171	0	0	0	0	0	113.7	Y458 F459	Y458-G463 WeakPolarHBondContact CD1-O 3.27Å; F459-G463 WeakPolarHBondContact O-CA 3.21Å; F459-G463 PolarHBondContact O-N 3.09Å
464	I	96.3	Very high	95.9	Very high	74 Å²	74	52 Å²	52	38%	0.379	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-70.9	138	178.2	-63.7	170.5	0	0	0	108.4	Y458 F459 T462 T514	Y458-I464 WeakPolarHBondContact CA-O 3.18Å; F459-I464 HydrophobicContact CD2-CB 4.49Å; F459-I464 WeakPolarHBondContact CD2-O 3.42Å; F459-I464 PolarHBondContact N-O 3.13Å; T462-I464 HydrophobicContact CG2-CD1 4.37Å; T462-I464 PolarHBondContact O-N 2.69Å; T462-I464 WeakPolarHBondContact OG1-CG1 3.49Å; T462-I464 PolarHBondContact OG1-N 3.3Å; I464-T514 HydrophobicContact CB-CG2 4.32Å; I464-T514 HydrophobicContact CG2-CG2 3.54Å
465	P	97.4	Very high	95.9	Very high	70 Å²	70	52.6 Å²	52.6	46%	0.455	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-63.3	138.6	177.4	-20.5	31.8	0	0	0	112.6	H457 Y458	H457-P465 WeakPolarHBondContact O-CA 3.46Å; Y458-P465 HydrophobicContact CD1-CB 4.36Å; Y458-P465 HydrophobicContact CD1-CG 4.27Å; Y458-P465 HydrophobicContact CE1-CB 4.26Å; Y458-P465 HydrophobicContact CE1-CG 4.02Å
466	E	97.9	Very high	95.9	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.019	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-71.4	145	160.3	-62.9	176.5	144.5	0	0	108.9	H457 F459 T477 L512	H457-E466 WeakPolarHBondContact CA-OE2 3.25Å; H457-E466 PolarHBondContact N-OE2 3.4Å; H457-E466 PolarHBondContact O-N 2.86Å; F459-E466 HydrophobicContact CD2-CG 4.13Å; F459-E466 HydrophobicContact CE2-CG 3.82Å; F459-E466 HydrophobicContact CZ-CG 4.11Å; E466-T477 VanDerWaalsContact C-OG1 3.29Å; E466-T477 PolarHBondContact O-OG1 3.2Å; E466-L512 HydrophobicContact CB-CB 3.92Å; E466-L512 HydrophobicContact CB-CD1 3.89Å; E466-L512 HydrophobicContact CG-CB 4.1Å
467	V	98.3	Very high	96	Very high	4 Å²	4	52 Å²	52	2%	0.024	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-124.1	145	173	-59.6	0	0	0	0	110.8	L513 E515 L518	V467-L513 WeakPolarHBondContact CG2-O 3.1Å; V467-L513 PolarHBondContact N-O 2.85Å; V467-E515 HydrophobicContact CG1-CB 4.29Å; V467-L518 HydrophobicContact CG2-CD1 3.53Å; V467-L518 HydrophobicContact CG2-CG 4.47Å
468	T	98.8	Very high	96.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-111.3	-21.4	177.8	66.5	0	0	0	0	112.1	I476 T477 V478 D479 L512 H533 L534 L536	T468-I476 PolarHBondContact N-O 3.03Å; T468-T477 HydrophobicContact CG2-CG2 3.81Å; T468-T477 WeakPolarHBondContact OG1-CA 3.43Å; T468-V478 PolarHBondContact OG1-N 2.62Å; T468-D479 WeakPolarHBondContact CB-OD2 3.35Å; T468-D479 HydrophobicContact CG2-CB 4.16Å; T468-D479 PolarHBondContact OG1-N 3.07Å; T468-D479 PolarHBondContact OG1-OD2 3.26Å; T468-L512 HydrophobicContact CG2-CD1 3.78Å; T468-L512 HydrophobicContact CG2-CD2 4.18Å; T468-H533 CarbonylContact O-C 3.38Å; T468-H533 WeakPolarHBondContact O-CA 3.46Å; T468-L534 PolarHBondContact O-N 2.77Å; T468-L536 HydrophobicContact CG2-CD1 3.78Å
469	T	98.7	Very high	96.2	Very high	5 Å²	5	46 Å²	46	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.5	172.3	-175	0	0	0	0	111	A475 I476 V478 D532 H533	T469-A475 VanDerWaalsContact O-CA 3.28Å; T469-A475 WeakPolarHBondContact O-CA 3.34Å; T469-I476 HydrophobicContact CG2-CG1 4.01Å; T469-I476 WeakPolarHBondContact CG2-O 3.45Å; T469-I476 PolarHBondContact N-O 3.18Å; T469-I476 VanDerWaalsContact N-O 3.1Å; T469-I476 PolarHBondContact O-N 3.26Å; T469-V478 HydrophobicContact CG2-CG2 3.91Å; T469-D532 VanDerWaalsContact CA-O 3.26Å; T469-D532 WeakPolarHBondContact CA-O 3.42Å; T469-D532 PolarHBondContact OG1-O 2.81Å; T469-H533 PolarHBondContact OG1-CD2 2.98Å; T469-H533 PolarHBondContact OG1-NE2 2.99Å
470	C	98.5	Very high	96.5	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	102	176.2	-172.9	0	0	0	0	112.8	S474 A475 L518 L524 D532	C470-S474 CarbonylContact C-O 3.58Å; C470-S474 WeakPolarHBondContact CA-O 3.3Å; C470-A475 HydrophobicContact CB-CB 4.29Å; C470-L518 HydrophobicContact CB-CB 3.99Å; C470-L518 HydrophobicContact CB-CD1 3.37Å; C470-L518 HydrophobicContact CB-CG 4.32Å; C470-L524 HydrophobicContact CB-CD1 4.27Å; C470-L524 HydrophobicContact CB-CG 4.43Å; C470-L524 WeakPolarHBondContact O-CA 3.49Å; C470-L524 VanDerWaalsContact O-CB 3.27Å; C470-L524 WeakPolarHBondContact O-CB 3.38Å; C470-L524 PolarHBondContact O-N 3.31Å; C470-D532 PolarHBondContact N-O 3.42Å
471	H	97.2	Very high	97	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.056	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	-176.9	176.2	63.5	78.6	0	0	0	110.5	Y187 R473 S474 D532	Y187-H471 HydrophobicContact CD1-CB 4.39Å; Y187-H471 HydrophobicContact CE1-CB 4.1Å; H471-R473 PolarHBondContact ND1-N 3.22Å; H471-R473 PolarHBondContact O-N 3.14Å; H471-S474 PolarHBondContact N-O 3.2Å; H471-S474 WeakPolarHBondContact NE2-CB 3.48Å; H471-S474 PolarHBondContact O-N 3.34Å; H471-S474 VanDerWaalsContact O-O 3.09Å; H471-D532 HydrophobicContact CB-CB 4.38Å; H471-D532 IonicContact CD2-OD2 3.83Å
472	S	96.2	Very high	97.3	Very high	51 Å²	51	31 Å²	31	36%	0.357	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-9.7	-171.1	-68.4	0	0	0	0	116.9	L186 H189	L186-S472 WeakPolarHBondContact O-CB 3.43Å; L186-S472 PolarHBondContact O-N 2.82Å; L186-S472 VanDerWaalsContact O-N 3.07Å; L186-S472 PolarHBondContact O-OG 3.36Å; L186-S472 VanDerWaalsContact O-OG 3.05Å; H189-S472 PolarHBondContact ND1-OG 2.99Å
473	R	95.1	Very high	97.6	Very high	189 Å²	189	28 Å²	28	71%	0.713	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.9	-6.8	-177.2	-56	-166	76.8	175.2	3.5	114.2	L186 H471	L186-R473 HydrophobicContact CD2-CB 4.08Å; L186-R473 VanDerWaalsContact CD2-CD 3.49Å; L186-R473 HydrophobicContact CD2-CG 3.67Å; H471-R473 PolarHBondContact ND1-N 3.22Å; H471-R473 PolarHBondContact O-N 3.14Å
474	S	95	Very high	97.7	Very high	32 Å²	32	25.7 Å²	25.7	22%	0.224	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	140	-175	-149.2	0	0	0	0	110.9	C470 H471 I476	C470-S474 CarbonylContact C-O 3.58Å; C470-S474 WeakPolarHBondContact CA-O 3.3Å; H471-S474 PolarHBondContact N-O 3.2Å; H471-S474 WeakPolarHBondContact NE2-CB 3.48Å; H471-S474 PolarHBondContact O-N 3.34Å; H471-S474 VanDerWaalsContact O-O 3.09Å; S474-I476 WeakPolarHBondContact OG-CD1 3.29Å; S474-I476 WeakPolarHBondContact OG-CG1 3.4Å
475	A	97.6	Very high	97.3	Very high	16 Å²	16	22.7 Å²	22.7	13%	0.132	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	92	169.9	0	0	0	0	0	107.7	T469 C470 E515	T469-A475 VanDerWaalsContact O-CA 3.28Å; T469-A475 WeakPolarHBondContact O-CA 3.34Å; C470-A475 HydrophobicContact CB-CB 4.29Å; A475-E515 HydrophobicContact CB-CB 3.95Å; A475-E515 VanDerWaalsContact CB-CD 3.48Å; A475-E515 HydrophobicContact CB-CG 3.56Å
476	I	98.1	Very high	96.3	Very high	44 Å²	44	25.3 Å²	25.3	23%	0.226	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	165.7	-169.7	54	175.1	0	0	0	110.7	V355 Q382 T468 T469 S474 V478	V355-I476 HydrophobicContact CG1-CB 4.19Å; V355-I476 HydrophobicContact CG1-CD1 3.87Å; V355-I476 HydrophobicContact CG1-CG2 4.41Å; Q382-I476 HydrophobicContact CG-CD1 4.42Å; T468-I476 PolarHBondContact N-O 3.03Å; T469-I476 HydrophobicContact CG2-CG1 4.01Å; T469-I476 WeakPolarHBondContact CG2-O 3.45Å; T469-I476 PolarHBondContact N-O 3.18Å; T469-I476 VanDerWaalsContact N-O 3.1Å; T469-I476 PolarHBondContact O-N 3.26Å; S474-I476 WeakPolarHBondContact OG-CD1 3.29Å; S474-I476 WeakPolarHBondContact OG-CG1 3.4Å; I476-V478 HydrophobicContact CD1-CG1 3.63Å; I476-V478 HydrophobicContact CG1-CG1 3.92Å
477	T	98.7	Very high	94.5	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.031	16%	0.155	C	C	.	.			trans	-88.7	124.3	166.2	-73.6	0	0	0	0	109.7	V355 P356 E466 T468 Y480	V355-T477 WeakPolarHBondContact CA-O 3.45Å; P356-T477 HydrophobicContact CG-CG2 3.71Å; E466-T477 VanDerWaalsContact C-OG1 3.29Å; E466-T477 PolarHBondContact O-OG1 3.2Å; T468-T477 HydrophobicContact CG2-CG2 3.81Å; T468-T477 WeakPolarHBondContact OG1-CA 3.43Å; T477-Y480 HydrophobicContact CG2-CE1 3.84Å
478	V	98.8	Very high	92.1	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	19%	0.194	C	C	.	.			trans	-136.4	-11.6	173.9	-67.5	0	0	0	0	113.1	F352 T468 T469 I476 Y480	F352-V478 PolarHBondContact N-O 3.37Å; T468-V478 PolarHBondContact OG1-N 2.62Å; T469-V478 HydrophobicContact CG2-CG2 3.91Å; I476-V478 HydrophobicContact CD1-CG1 3.63Å; I476-V478 HydrophobicContact CG1-CG1 3.92Å; V478-Y480 VanDerWaalsContact C-CE2 3.45Å; V478-Y480 VanDerWaalsContact O-CD2 3.31Å; V478-Y480 WeakPolarHBondContact O-CD2 3.4Å; V478-Y480 WeakPolarHBondContact O-CE2 3.48Å
479	D	98.9	Very high	89.1	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.7	178.7	-52.3	-86.7	0	0	0	110.3	G350 T468 H533 L536	G350-D479 WeakPolarHBondContact O-CA 3.39Å; T468-D479 WeakPolarHBondContact CB-OD2 3.35Å; T468-D479 HydrophobicContact CG2-CB 4.16Å; T468-D479 PolarHBondContact OG1-N 3.07Å; T468-D479 PolarHBondContact OG1-OD2 3.26Å; D479-H533 VanDerWaalsContact CG-ND1 3.34Å; D479-H533 IonicContact OD1-CE1 2.72Å; D479-H533 IonicContact OD1-ND1 2.65Å; D479-H533 PolarHBondContact OD1-ND1 3.24Å; D479-H533 IonicContact OD2-CE1 3.56Å; D479-H533 IonicContact OD2-CG 2.8Å; D479-H533 IonicContact OD2-ND1 3.77Å; D479-H533 PolarHBondContact OD2-ND1 3.45Å; D479-L536 HydrophobicContact CB-CD1 3.85Å; D479-L536 HydrophobicContact CB-CD2 4.23Å; D479-L536 WeakPolarHBondContact O-CD2 3.16Å
480	Y	98.9	Very high	86.1	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.5	-177.8	-57.1	-89.4	0	0	0	111.9	C349 G350 F352 S354 V355 P356 Y361 H457 T477 V478 F482	C349-Y480 WeakPolarHBondContact CA-O 3.38Å; G350-Y480 PolarHBondContact N-O 3.48Å; G350-Y480 PolarHBondContact O-N 2.87Å; F352-Y480 HydrophobicContact CB-CD2 4.03Å; F352-Y480 HydrophobicContact CB-CE2 4.13Å; F352-Y480 AromaticContact CD2-CD2 3.72Å; F352-Y480 HydrophobicContact CD2-CD2 3.72Å; F352-Y480 HydrophobicContact CD2-CG 4.48Å; F352-Y480 HydrophobicContact CG-CD2 4.09Å; S354-Y480 VanDerWaalsContact O-CE2 3.25Å; S354-Y480 WeakPolarHBondContact O-CE2 3.36Å; S354-Y480 PolarHBondContact O-OH 2.8Å; V355-Y480 WeakPolarHBondContact CA-OH 3.46Å; P356-Y480 WeakPolarHBondContact CD-OH 3.3Å; P356-Y480 HydrophobicContact CG-CE1 4.31Å; Y361-Y480 HydrophobicContact CD2-CD1 4.15Å; Y361-Y480 AromaticContact CD2-CE1 3.57Å; Y361-Y480 HydrophobicContact CD2-CE1 3.57Å; Y361-Y480 AromaticContact CD2-CZ 3.92Å; Y361-Y480 AromaticContact CE2-CD1 3.95Å; Y361-Y480 HydrophobicContact CE2-CD1 3.95Å; Y361-Y480 AromaticContact CE2-CE1 3.6Å; Y361-Y480 HydrophobicContact CE2-CE1 3.6Å; H457-Y480 AromaticContact CE1-CD1 3.68Å; H457-Y480 AromaticContact CE1-CE1 3.43Å; H457-Y480 VanDerWaalsContact CE1-CE1 3.43Å; H457-Y480 WeakPolarHBondContact CE1-CE1 3.31Å; T477-Y480 HydrophobicContact CG2-CE1 3.84Å; V478-Y480 VanDerWaalsContact C-CE2 3.45Å; V478-Y480 VanDerWaalsContact O-CD2 3.31Å; V478-Y480 WeakPolarHBondContact O-CD2 3.4Å; V478-Y480 WeakPolarHBondContact O-CE2 3.48Å; Y480-F482 HydrophobicContact CD1-CE1 4.41Å; Y480-F482 HydrophobicContact CD1-CE2 4.18Å; Y480-F482 AromaticContact CD1-CZ 3.74Å; Y480-F482 HydrophobicContact CD1-CZ 3.74Å; Y480-F482 HydrophobicContact CD2-CE2 4.12Å; Y480-F482 HydrophobicContact CD2-CZ 4.31Å; Y480-F482 HydrophobicContact CE1-CZ 4.47Å; Y480-F482 AromaticContact CG-CE2 3.6Å; Y480-F482 HydrophobicContact CG-CE2 3.6Å; Y480-F482 AromaticContact CG-CZ 3.65Å; Y480-F482 HydrophobicContact CG-CZ 3.65Å
481	I	98.9	Very high	83.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	106.4	158.2	-57.3	178.2	0	0	0	105.6	V347 V454 L536 A538 F540	V347-I481 HydrophobicContact CG1-CG2 3.83Å; V454-I481 HydrophobicContact CB-CB 4.26Å; V454-I481 HydrophobicContact CG2-CB 3.79Å; V454-I481 HydrophobicContact CG2-CG2 3.71Å; V454-I481 WeakPolarHBondContact CG2-O 3.34Å; V454-I481 PolarHBondContact N-O 3.4Å; I481-L536 HydrophobicContact CD1-CB 3.78Å; I481-L536 HydrophobicContact CG1-CB 4.03Å; I481-L536 HydrophobicContact CG1-CD2 4.25Å; I481-A538 HydrophobicContact CD1-CB 4.29Å; I481-F540 HydrophobicContact CG2-CE2 4.18Å; I481-F540 HydrophobicContact CG2-CZ 3.98Å
482	F	98.8	Very high	80.4	Confident	1 Å²	1	61.3 Å²	61.3	0%	0.004	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	148.1	169.2	-63.1	-75.6	0	0	0	110	V347 M348 F352 Y361 I364 K365 S452 Y480	V347-F482 CarbonylContact C-O 3.6Å; V347-F482 WeakPolarHBondContact CA-O 3.31Å; M348-F482 HydrophobicContact CB-CB 4.32Å; M348-F482 HydrophobicContact CE-CB 4.28Å; M348-F482 HydrophobicContact CE-CD2 3.79Å; M348-F482 HydrophobicContact CE-CG 4.28Å; M348-F482 PolarHBondContact N-O 2.77Å; M348-F482 PolarHBondContact O-N 3.08Å; F352-F482 HydrophobicContact CD2-CE2 4.47Å; F352-F482 HydrophobicContact CE1-CE2 4.45Å; F352-F482 HydrophobicContact CE2-CD2 4.3Å; F352-F482 HydrophobicContact CE2-CE2 4.14Å; F352-F482 HydrophobicContact CZ-CD2 4.15Å; F352-F482 HydrophobicContact CZ-CE2 4.14Å; Y361-F482 HydrophobicContact CD2-CE1 4.24Å; Y361-F482 AromaticContact CD2-CZ 3.86Å; Y361-F482 HydrophobicContact CD2-CZ 3.86Å; Y361-F482 AromaticContact CE2-CE1 3.79Å; Y361-F482 HydrophobicContact CE2-CE1 3.79Å; Y361-F482 AromaticContact CE2-CZ 3.82Å; Y361-F482 HydrophobicContact CE2-CZ 3.82Å; I364-F482 HydrophobicContact CB-CZ 4.36Å; I364-F482 HydrophobicContact CD1-CE2 3.84Å; I364-F482 HydrophobicContact CD1-CZ 4.12Å; I364-F482 HydrophobicContact CG2-CD1 3.81Å; I364-F482 HydrophobicContact CG2-CD2 3.91Å; I364-F482 HydrophobicContact CG2-CE1 3.82Å; I364-F482 HydrophobicContact CG2-CE2 3.91Å; I364-F482 HydrophobicContact CG2-CG 3.85Å; I364-F482 HydrophobicContact CG2-CZ 3.87Å; K365-F482 HydrophobicContact CD-CD1 4.49Å; K365-F482 HydrophobicContact CD-CE1 4.2Å; K365-F482 HydrophobicContact CG-CE1 4.28Å; S452-F482 CarbonylContact O-C 3.24Å; S452-F482 WeakPolarHBondContact O-CA 3.49Å; Y480-F482 HydrophobicContact CD1-CE1 4.41Å; Y480-F482 HydrophobicContact CD1-CE2 4.18Å; Y480-F482 AromaticContact CD1-CZ 3.74Å; Y480-F482 HydrophobicContact CD1-CZ 3.74Å; Y480-F482 HydrophobicContact CD2-CE2 4.12Å; Y480-F482 HydrophobicContact CD2-CZ 4.31Å; Y480-F482 HydrophobicContact CE1-CZ 4.47Å; Y480-F482 AromaticContact CG-CE2 3.6Å; Y480-F482 HydrophobicContact CG-CE2 3.6Å; Y480-F482 AromaticContact CG-CZ 3.65Å; Y480-F482 HydrophobicContact CG-CZ 3.65Å
483	Y	98.3	Very high	77.4	Confident	25 Å²	25	66.8 Å²	66.8	10%	0.098	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	151.4	178.3	68.5	-81.3	0	0	0	111.8	I346 L451 S452 V454 A485 L504 L506 F540	I346-Y483 CarbonylContact O-C 3.57Å; I346-Y483 VanDerWaalsContact O-CA 3.22Å; I346-Y483 WeakPolarHBondContact O-CA 3.35Å; L451-Y483 WeakPolarHBondContact CA-O 3.44Å; S452-Y483 PolarHBondContact N-O 2.82Å; S452-Y483 WeakPolarHBondContact O-CD1 3.31Å; S452-Y483 PolarHBondContact O-N 2.84Å; V454-Y483 HydrophobicContact CG2-CD1 3.84Å; V454-Y483 HydrophobicContact CG2-CE1 4.05Å; Y483-A485 HydrophobicContact CD2-CB 4.26Å; Y483-A485 HydrophobicContact CE2-CB 3.72Å; Y483-A485 PolarHBondContact O-N 3.31Å; Y483-L504 HydrophobicContact CD2-CB 3.96Å; Y483-L504 VanDerWaalsContact CE2-O 3.23Å; Y483-L504 WeakPolarHBondContact CE2-O 3.26Å; Y483-L506 HydrophobicContact CE1-CB 4.4Å; Y483-L506 HydrophobicContact CE2-CB 4.47Å; Y483-F540 AromaticContact CD1-CE1 3.59Å; Y483-F540 HydrophobicContact CD1-CE1 3.59Å; Y483-F540 AromaticContact CD1-CZ 3.99Å; Y483-F540 HydrophobicContact CD1-CZ 3.99Å; Y483-F540 HydrophobicContact CD2-CD1 4.32Å; Y483-F540 AromaticContact CD2-CE1 3.88Å; Y483-F540 HydrophobicContact CD2-CE1 3.88Å; Y483-F540 HydrophobicContact CE1-CE1 4.06Å; Y483-F540 HydrophobicContact CE2-CE1 4.31Å; Y483-F540 HydrophobicContact CG-CD1 4.31Å; Y483-F540 AromaticContact CG-CE1 3.49Å; Y483-F540 HydrophobicContact CG-CE1 3.49Å; Y483-F540 VanDerWaalsContact CG-CE1 3.49Å; Y483-F540 HydrophobicContact CG-CZ 4.01Å
484	S	95.3	Very high	74.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	113.5	170.3	-64.7	0	0	0	0	109.5	I346 S450 L504	I346-S484 WeakPolarHBondContact CB-OG 3.4Å; I346-S484 PolarHBondContact N-OG 3.27Å; I346-S484 PolarHBondContact O-N 3.08Å; S450-S484 WeakPolarHBondContact O-CA 3.47Å; S484-L504 PolarHBondContact O-N 2.98Å
485	A	88.6	Confident	71.8	Confident	11 Å²	11	66.1 Å²	66.1	9%	0.091	39%	0.39	C	S	.	.			trans	-108.1	146.5	174.8	0	0	0	0	0	110.1	S450 S452 Y483 K487	S450-A485 PolarHBondContact O-N 2.76Å; S450-A485 VanDerWaalsContact O-N 3.12Å; S450-A485 PolarHBondContact OG-O 3.04Å; S452-A485 WeakPolarHBondContact OG-CB 3.31Å; Y483-A485 HydrophobicContact CD2-CB 4.26Å; Y483-A485 HydrophobicContact CE2-CB 3.72Å; Y483-A485 PolarHBondContact O-N 3.31Å; A485-K487 PolarHBondContact O-N 3.16Å
486	E	75.7	Confident	68.9	Low	125 Å²	125	70.4 Å²	70.4	58%	0.584	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-61.3	135.1	167.1	-62.7	-171.3	166.8	0	0	108.9
487	K	59.9	Low	66.2	Low	147 Å²	147	75.3 Å²	75.3	64%	0.639	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-75.4	124.2	168	-75.4	-176.9	175.2	175	0	107.2	S450 A485 D489	S450-K487 WeakPolarHBondContact OG-CG 3.41Å; A485-K487 PolarHBondContact O-N 3.16Å; K487-D489 PolarHBondContact O-N 3.33Å
488	E	47.3	Very low	63.7	Low	183 Å²	183	78.6 Å²	78.6	86%	0.855	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-63.4	119	159	-73.6	-177.4	168.9	0	0	107	V490	E488-V490 PolarHBondContact O-N 3.35Å
489	D	37.6	Very low	61	Low	152 Å²	152	82 Å²	82	81%	0.813	50%	0.496	S	S	*	.			trans	-57.3	97	-179.3	-84.3	-34.4	0	0	0	111.2	K487 A491	K487-D489 PolarHBondContact O-N 3.33Å; D489-A491 VanDerWaalsContact C-N 3.34Å; D489-A491 PolarHBondContact O-N 2.78Å
490	V	35.4	Very low	58.7	Low	140 Å²	140	84.2 Å²	84.2	85%	0.848	51%	0.507	S	S	*	.			trans	-87.3	84.2	161.4	-172.3	0	0	0	0	107.2	E488	E488-V490 PolarHBondContact O-N 3.35Å
491	A	36.4	Very low	56.4	Low	88 Å²	88	87.5 Å²	87.5	73%	0.727	53%	0.527	S	S	*	.	S	Bend	trans	40.1	90.5	160	0	0	0	0	0	117.7	D489	D489-A491 VanDerWaalsContact C-N 3.34Å; D489-A491 PolarHBondContact O-N 2.78Å
492	G	39.8	Very low	54.5	Low	70 Å²	70	88.5 Å²	88.5	72%	0.722	54%	0.538	S	S	*	.			trans	38.4	96.7	139	0	0	0	0	0	120.3
493	H	31.6	Very low	53.6	Low	166 Å²	166	88.6 Å²	88.6	77%	0.769	54%	0.539	S	S	*	.			trans	-131.2	120.7	147.7	-77.1	-26.3	0	0	0	110.1	G495	H493-G495 PolarHBondContact O-N 2.82Å
494	P	37.4	Very low	53.4	Low	140 Å²	140	87.6 Å²	87.6	91%	0.909	54%	0.535	S	S	*	.			trans	-81.7	106.9	-178.5	30.8	-29.5	0	0	0	110
495	G	36.2	Very low	53.4	Low	67 Å²	67	92 Å²	92	69%	0.691	55%	0.554	S	S	*	*	S	Bend	trans	178.6	92.7	172.5	0	0	0	0	0	112.8	H493	H493-G495 PolarHBondContact O-N 2.82Å
496	A	37.1	Very low	53.7	Low	107 Å²	107	92.5 Å²	92.5	88%	0.884	56%	0.555	S	S	*	*			trans	65.7	60	173.6	0	0	0	0	0	116.1
497	E	39.6	Very low	54.7	Low	147 Å²	147	87.9 Å²	87.9	69%	0.687	54%	0.535	S	S	*	.			trans	-94.4	106.7	164.4	-69.9	-172.5	151.4	0	0	109.5	A499	E497-A499 PolarHBondContact O-N 2.82Å; E497-A499 VanDerWaalsContact O-N 3.16Å
498	V	46.3	Very low	56.5	Low	73 Å²	73	80.9 Å²	80.9	44%	0.442	50%	0.504	S	S	.	.			trans	-69.6	105.8	161.4	178.5	0	0	0	0	105.7	G341 F343 L500	G341-V498 WeakPolarHBondContact O-CG1 3.44Å; F343-V498 HydrophobicContact CD2-CG1 4.47Å; F343-V498 HydrophobicContact CE2-CG1 4.42Å; V498-L500 PolarHBondContact O-N 3.33Å
499	A	43.1	Very low	59	Low	75 Å²	75	73.3 Å²	73.3	62%	0.62	47%	0.468	S	S	*	.			trans	-61.1	119.3	178	0	0	0	0	0	109.3	S342 E497 V501	S342-A499 WeakPolarHBondContact CB-O 3.33Å; E497-A499 PolarHBondContact O-N 2.82Å; E497-A499 VanDerWaalsContact O-N 3.16Å; A499-V501 PolarHBondContact O-N 3.3Å
500	L	51.1	Low	61.9	Low	50 Å²	50	66.3 Å²	66.3	26%	0.262	43%	0.43	S	S	.	.			trans	-74.6	117	169.4	-86.5	149.6	0	0	0	108.1	F343 V498 G502	F343-L500 HydrophobicContact CB-CD2 4.35Å; V498-L500 PolarHBondContact O-N 3.33Å; L500-G502 PolarHBondContact O-N 3.1Å
501	V	50.8	Low	64.8	Low	70 Å²	70	59.9 Å²	59.9	42%	0.424	39%	0.392	S	S	.	.	S	Bend	trans	-83.8	112.2	168.8	-179.8	0	0	0	0	107.8	A499	A499-V501 PolarHBondContact O-N 3.3Å
502	G	57.5	Low	67.8	Low	22 Å²	22	55.8 Å²	55.8	23%	0.227	36%	0.357	C	S	.	.			trans	81.4	66.3	168.6	0	0	0	0	0	115.3	P345 L500	P345-G502 WeakPolarHBondContact CG-O 3.37Å; L500-G502 PolarHBondContact O-N 3.1Å
503	G	80.3	Confident	70.5	Confident	2 Å²	2	53.3 Å²	53.3	2%	0.021	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-59.9	143.9	166.3	0	0	0	0	0	111.1
504	L	93.5	Very high	73.7	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-77.8	137.5	174.9	-67.2	172	0	0	0	109.9	F167 P345 V347 Y483 S484 F540 L542	F167-L504 HydrophobicContact CE1-CD1 4.44Å; F167-L504 HydrophobicContact CE1-CD2 3.79Å; F167-L504 HydrophobicContact CZ-CD1 3.92Å; F167-L504 HydrophobicContact CZ-CD2 4.11Å; P345-L504 HydrophobicContact CB-CD1 4.29Å; P345-L504 HydrophobicContact CB-CD2 4.14Å; P345-L504 HydrophobicContact CB-CG 3.92Å; V347-L504 HydrophobicContact CG2-CD1 3.48Å; V347-L504 VanDerWaalsContact CG2-CD1 3.48Å; Y483-L504 HydrophobicContact CD2-CB 3.96Å; Y483-L504 VanDerWaalsContact CE2-O 3.23Å; Y483-L504 WeakPolarHBondContact CE2-O 3.26Å; S484-L504 PolarHBondContact O-N 2.98Å; L504-F540 HydrophobicContact CB-CB 4.44Å; L504-F540 HydrophobicContact CB-CD1 4.16Å; L504-F540 HydrophobicContact CD1-CG 4.39Å; L504-F540 HydrophobicContact CD2-CB 4.46Å; L504-L542 HydrophobicContact CD2-CB 3.83Å; L504-L542 HydrophobicContact CD2-CD1 4.21Å
505	K	95.3	Very high	76.6	Confident	92 Å²	92	44.2 Å²	44.2	40%	0.4	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.7	169.6	-64.4	179.6	-174.4	169.7	0	109.6	L507 F540 R541 E543	K505-L507 PolarHBondContact O-N 3.06Å; K505-F540 CarbonylContact O-C 3.56Å; K505-F540 VanDerWaalsContact O-CA 3.27Å; K505-F540 WeakPolarHBondContact O-CA 3.28Å; K505-R541 HydrophobicContact CB-CB 4.3Å; K505-R541 PolarHBondContact N-O 3.22Å; K505-R541 PolarHBondContact O-N 3.31Å; K505-E543 HydrophobicContact CD-CG 4.2Å; K505-E543 IonicContact NZ-OE1 3.88Å; K505-E543 PolarHBondContact NZ-OE1 2.89Å
506	L	96.4	Very high	79.5	Confident	23 Å²	23	48 Å²	48	12%	0.12	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	113.4	172.2	178.5	64	0	0	0	109.4	M138 V454 Y483 A508 A538 F540	M138-L506 WeakPolarHBondContact CB-O 3.27Å; M138-L506 HydrophobicContact CG-CB 4.48Å; M138-L506 HydrophobicContact CG-CD2 3.97Å; M138-L506 HydrophobicContact CG-CG 3.87Å; M138-L506 HydrophobicContact SD-CD2 4.26Å; V454-L506 HydrophobicContact CG1-CD1 4.05Å; V454-L506 HydrophobicContact CG1-CD2 4.16Å; V454-L506 HydrophobicContact CG2-CD1 4.17Å; Y483-L506 HydrophobicContact CE1-CB 4.4Å; Y483-L506 HydrophobicContact CE2-CB 4.47Å; L506-A508 WeakPolarHBondContact CD1-O 3.4Å; L506-A538 HydrophobicContact CD1-CB 4.06Å; L506-F540 HydrophobicContact CB-CD1 4.46Å; L506-F540 HydrophobicContact CB-CE1 4.36Å; L506-F540 HydrophobicContact CD1-CD1 4.16Å; L506-F540 HydrophobicContact CD1-CE1 3.78Å; L506-F540 HydrophobicContact CD1-CZ 4.37Å
507	L	96.9	Very high	82.4	Confident	28 Å²	28	45 Å²	45	15%	0.147	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-44.9	179.1	-61.4	-177.3	0	0	0	111.8	Y137 M138 D166 K505 K539 R541	Y137-L507 WeakPolarHBondContact CA-O 3.22Å; M138-L507 PolarHBondContact N-O 3.14Å; D166-L507 HydrophobicContact CB-CD1 4.5Å; K505-L507 PolarHBondContact O-N 3.06Å; L507-K539 HydrophobicContact CB-CB 4.18Å; L507-K539 PolarHBondContact N-O 3.47Å; L507-R541 HydrophobicContact CD1-CB 4Å; L507-R541 HydrophobicContact CD2-CB 3.9Å; L507-R541 HydrophobicContact CG-CB 3.96Å
508	A	97.8	Very high	85.1	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	158.7	-177.7	0	0	0	0	0	112	W135 E136 Y137 L506 A538 K539	W135-A508 HydrophobicContact CE3-CB 3.65Å; W135-A508 HydrophobicContact CZ3-CB 3.93Å; E136-A508 CarbonylContact O-C 3.53Å; E136-A508 WeakPolarHBondContact O-CA 3.5Å; E136-A508 WeakPolarHBondContact O-CB 3.1Å; Y137-A508 HydrophobicContact CD1-CB 3.68Å; Y137-A508 HydrophobicContact CE1-CB 3.87Å; Y137-A508 HydrophobicContact CG-CB 4.07Å; L506-A508 WeakPolarHBondContact CD1-O 3.4Å; A508-A538 CarbonylContact O-C 3.47Å; A508-A538 WeakPolarHBondContact O-CA 3.41Å; A508-K539 HydrophobicContact CB-CB 4.31Å; A508-K539 PolarHBondContact N-O 3.43Å; A508-K539 PolarHBondContact O-N 2.94Å
509	R	98.3	Very high	87.6	Confident	24 Å²	24	39 Å²	39	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.5	172	67.2	-173.3	-174.5	-178.4	8.1	111	W135 E136 M138 V454 Y455 S456 L537	W135-R509 WeakPolarHBondContact CA-O 3.37Å; E136-R509 HydrophobicContact CB-CG 4.13Å; E136-R509 PolarHBondContact N-O 2.82Å; E136-R509 PolarHBondContact O-N 3.34Å; E136-R509 IonicContact OE2-CZ 3.82Å; E136-R509 IonicContact OE2-NE 3.96Å; E136-R509 PolarHBondContact OE2-NE 3.46Å; E136-R509 IonicContact OE2-NH2 2.67Å; E136-R509 PolarHBondContact OE2-NH2 2.82Å; M138-R509 HydrophobicContact CE-CG 4.19Å; V454-R509 HydrophobicContact CG1-CB 3.61Å; V454-R509 HydrophobicContact CG1-CG 4.5Å; V454-R509 VanDerWaalsContact O-CD 3.29Å; V454-R509 WeakPolarHBondContact O-CD 3.44Å; V454-R509 PolarHBondContact O-NH1 2.92Å; Y455-R509 HydrophobicContact CE1-CB 4.48Å; S456-R509 VanDerWaalsContact N-NH1 3.16Å; S456-R509 PolarHBondContact OG-NH1 2.67Å; S456-R509 PolarHBondContact OG-NH2 3.13Å; S456-R509 VanDerWaalsContact OG-NH2 3.14Å; R509-L537 CarbonylContact C-O 3.54Å; R509-L537 WeakPolarHBondContact CA-O 3.37Å
510	L	98.3	Very high	90.2	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	113.7	171.5	-177.3	67.5	0	0	0	109.3	R133 F211 Y455 L537	R133-L510 HydrophobicContact CB-CD1 3.87Å; R133-L510 HydrophobicContact CB-CG 4.08Å; R133-L510 PolarHBondContact NH2-O 2.85Å; F211-L510 HydrophobicContact CD1-CD2 4.31Å; F211-L510 HydrophobicContact CE1-CD1 4.3Å; F211-L510 HydrophobicContact CE1-CD2 3.53Å; F211-L510 HydrophobicContact CE2-CD2 4.21Å; F211-L510 HydrophobicContact CZ-CD2 3.46Å; F211-L510 VanDerWaalsContact CZ-CD2 3.46Å; Y455-L510 VanDerWaalsContact CE1-O 3.22Å; Y455-L510 WeakPolarHBondContact CE1-O 3.45Å; Y455-L510 PolarHBondContact OH-O 3.45Å; L510-L537 HydrophobicContact CB-CB 3.83Å; L510-L537 HydrophobicContact CB-CD2 4.39Å; L510-L537 HydrophobicContact CD2-CB 4.23Å; L510-L537 HydrophobicContact CD2-CD2 4.28Å; L510-L537 PolarHBondContact N-O 3.47Å
511	S	97.6	Very high	92.3	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.035	21%	0.208	C	C	.	.			trans	-51.4	143.4	-176.2	76.8	0	0	0	0	112	R133 N134 E136	R133-S511 WeakPolarHBondContact CA-OG 3.44Å; R133-S511 PolarHBondContact NE-O 3.2Å; R133-S511 PolarHBondContact NH2-O 3.01Å; N134-S511 PolarHBondContact N-OG 2.74Å; N134-S511 WeakPolarHBondContact O-CB 3.28Å; N134-S511 PolarHBondContact O-N 3.38Å; E136-S511 WeakPolarHBondContact OE1-CB 3.39Å
512	L	98.1	Very high	94.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.219	C	C	.	.			trans	-84	-175.1	172.2	-75.5	170	0	0	0	110.6	Y455 F459 E466 T468 L534 L536	Y455-L512 HydrophobicContact CD1-CD1 3.54Å; Y455-L512 HydrophobicContact CD1-CG 3.83Å; Y455-L512 HydrophobicContact CE1-CD1 3.87Å; Y455-L512 HydrophobicContact CE1-CG 3.67Å; Y455-L512 HydrophobicContact CG-CD1 3.94Å; F459-L512 WeakPolarHBondContact CZ-O 3.42Å; E466-L512 HydrophobicContact CB-CB 3.92Å; E466-L512 HydrophobicContact CB-CD1 3.89Å; E466-L512 HydrophobicContact CG-CB 4.1Å; T468-L512 HydrophobicContact CG2-CD1 3.78Å; T468-L512 HydrophobicContact CG2-CD2 4.18Å; L512-L534 HydrophobicContact CD2-CB 4.34Å; L512-L534 HydrophobicContact CD2-CD1 4.24Å; L512-L536 HydrophobicContact CD2-CD1 4.21Å
513	L	98	Very high	96.4	Very high	17 Å²	17	41.7 Å²	41.7	9%	0.089	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-123.2	164.7	179.1	-63.7	177.8	0	0	0	109.6	I131 R133 V467 D517 L518 L534	I131-L513 HydrophobicContact CG2-CD1 4.07Å; I131-L513 HydrophobicContact CG2-CD2 3.94Å; R133-L513 HydrophobicContact CG-CD1 4.2Å; R133-L513 HydrophobicContact CG-CD2 4.05Å; R133-L513 HydrophobicContact CG-CG 3.99Å; V467-L513 WeakPolarHBondContact CG2-O 3.1Å; V467-L513 PolarHBondContact N-O 2.85Å; L513-D517 HydrophobicContact CB-CB 4.09Å; L513-D517 HydrophobicContact CD2-CB 4.47Å; L513-L518 HydrophobicContact CB-CD2 4.49Å; L513-L518 HydrophobicContact CB-CG 4.39Å; L513-L518 HydrophobicContact CD1-CD2 3.81Å; L513-L534 HydrophobicContact CB-CD1 4.2Å; L513-L534 HydrophobicContact CD1-CD1 4.24Å; L513-L534 HydrophobicContact CG-CD1 4.3Å
514	T	98.1	Very high	97.2	Very high	16 Å²	16	41.6 Å²	41.6	10%	0.098	21%	0.208	C	C	.	.			trans	-85.9	164	171.2	68.4	0	0	0	0	111.2	F459 I464 Q516 D517 L518	F459-T514 HydrophobicContact CD2-CG2 3.81Å; F459-T514 HydrophobicContact CE2-CG2 3.39Å; F459-T514 HydrophobicContact CZ-CG2 4.21Å; I464-T514 HydrophobicContact CB-CG2 4.32Å; I464-T514 HydrophobicContact CG2-CG2 3.54Å; T514-Q516 PolarHBondContact O-N 2.93Å; T514-Q516 PolarHBondContact OG1-N 3.38Å; T514-D517 WeakPolarHBondContact CB-OD2 2.94Å; T514-D517 PolarHBondContact N-OD2 3.15Å; T514-D517 PolarHBondContact O-N 3.48Å; T514-D517 PolarHBondContact OG1-N 2.87Å; T514-D517 VanDerWaalsContact OG1-N 3.09Å; T514-D517 PolarHBondContact OG1-OD2 3.24Å; T514-L518 PolarHBondContact O-N 2.96Å
515	E	97.9	Very high	97.5	Very high	100 Å²	100	41.4 Å²	41.4	47%	0.467	21%	0.207	S	C	.	.	H	α-helix	trans	-54.8	-41.5	168.9	171.3	174.4	-164.9	0	0	111.7	V467 A475 D517 L518 W519	V467-E515 HydrophobicContact CG1-CB 4.29Å; A475-E515 HydrophobicContact CB-CB 3.95Å; A475-E515 VanDerWaalsContact CB-CD 3.48Å; A475-E515 HydrophobicContact CB-CG 3.56Å; E515-D517 PolarHBondContact O-N 3.15Å; E515-L518 PolarHBondContact O-N 2.92Å; E515-W519 PolarHBondContact O-N 2.79Å; E515-W519 PolarHBondContact OE1-NE1 3.47Å
516	Q	97.5	Very high	97.6	Very high	147 Å²	147	37.8 Å²	37.8	69%	0.687	19%	0.192	S	C	*	.	H	α-helix	trans	-64.4	-39.6	-179.3	-177.7	175.2	-3.3	0	0	112.1	T514 L518 W519 T520	T514-Q516 PolarHBondContact O-N 2.93Å; T514-Q516 PolarHBondContact OG1-N 3.38Å; Q516-L518 VanDerWaalsContact C-N 3.32Å; Q516-L518 PolarHBondContact O-N 3.06Å; Q516-W519 PolarHBondContact O-N 3.05Å; Q516-T520 PolarHBondContact O-N 3.31Å; Q516-T520 PolarHBondContact O-OG1 3Å
517	D	97.3	Very high	97.6	Very high	43 Å²	43	41 Å²	41	23%	0.23	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-44.1	176.2	-63.4	-43.9	0	0	0	110.8	I131 L513 T514 E515 T520 V521	I131-D517 HydrophobicContact CD1-CB 4.23Å; I131-D517 WeakPolarHBondContact CD1-O 3.36Å; I131-D517 HydrophobicContact CG1-CB 4.22Å; I131-D517 HydrophobicContact CG2-CB 3.98Å; L513-D517 HydrophobicContact CB-CB 4.09Å; L513-D517 HydrophobicContact CD2-CB 4.47Å; T514-D517 WeakPolarHBondContact CB-OD2 2.94Å; T514-D517 PolarHBondContact N-OD2 3.15Å; T514-D517 PolarHBondContact O-N 3.48Å; T514-D517 PolarHBondContact OG1-N 2.87Å; T514-D517 VanDerWaalsContact OG1-N 3.09Å; T514-D517 PolarHBondContact OG1-OD2 3.24Å; E515-D517 PolarHBondContact O-N 3.15Å; D517-T520 WeakPolarHBondContact O-CB 3.45Å; D517-T520 PolarHBondContact O-N 3.07Å; D517-V521 PolarHBondContact O-N 2.8Å
518	L	97.9	Very high	97.5	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-68.6	-39.3	-179.7	-67.1	178.8	0	0	0	112.3	V467 C470 L513 T514 E515 Q516 T520 V521 N522 G523 L524 L534	V467-L518 HydrophobicContact CG2-CD1 3.53Å; V467-L518 HydrophobicContact CG2-CG 4.47Å; C470-L518 HydrophobicContact CB-CB 3.99Å; C470-L518 HydrophobicContact CB-CD1 3.37Å; C470-L518 HydrophobicContact CB-CG 4.32Å; L513-L518 HydrophobicContact CB-CD2 4.49Å; L513-L518 HydrophobicContact CB-CG 4.39Å; L513-L518 HydrophobicContact CD1-CD2 3.81Å; T514-L518 PolarHBondContact O-N 2.96Å; E515-L518 PolarHBondContact O-N 2.92Å; Q516-L518 VanDerWaalsContact C-N 3.32Å; Q516-L518 PolarHBondContact O-N 3.06Å; L518-T520 VanDerWaalsContact C-N 3.28Å; L518-T520 PolarHBondContact O-N 2.99Å; L518-V521 CarbonylContact O-C 3.54Å; L518-V521 WeakPolarHBondContact O-CG2 3.01Å; L518-V521 PolarHBondContact O-N 2.89Å; L518-N522 PolarHBondContact O-N 3.35Å; L518-G523 WeakPolarHBondContact O-CA 3.41Å; L518-G523 PolarHBondContact O-N 2.83Å; L518-L524 HydrophobicContact CD1-CD1 3.89Å; L518-L524 HydrophobicContact CD1-CG 4.43Å; L518-L524 HydrophobicContact CD2-CD1 4.06Å; L518-L524 HydrophobicContact CD2-CD2 4.15Å; L518-L524 HydrophobicContact CD2-CG 4.13Å; L518-L534 HydrophobicContact CD1-CD1 4.25Å; L518-L534 HydrophobicContact CD2-CD1 4.32Å; L518-L534 HydrophobicContact CD2-CD2 4.28Å
519	W	97.6	Very high	97.5	Very high	92 Å²	92	47.5 Å²	47.5	35%	0.348	24%	0.241	S	C	.	.	H	α-helix	trans	-70.1	-24.4	173.6	-76.4	118.3	0	0	0	113.6	H189 E515 Q516 V521 N522	H189-W519 HydrophobicContact CB-CZ3 4.32Å; H189-W519 AromaticContact CD2-CZ3 3.78Å; E515-W519 PolarHBondContact O-N 2.79Å; E515-W519 PolarHBondContact OE1-NE1 3.47Å; Q516-W519 PolarHBondContact O-N 3.05Å; W519-V521 PolarHBondContact O-N 3.24Å; W519-N522 PolarHBondContact O-N 3.04Å
520	T	97.2	Very high	97.5	Very high	91 Å²	91	46.3 Å²	46.3	56%	0.558	24%	0.236	S	C	*	.	H	α-helix	trans	-63.1	-27.3	171.9	-58.6	0	0	0	0	111.8	I131 Q516 D517 L518	I131-T520 HydrophobicContact CD1-CG2 3.65Å; Q516-T520 PolarHBondContact O-N 3.31Å; Q516-T520 PolarHBondContact O-OG1 3Å; D517-T520 WeakPolarHBondContact O-CB 3.45Å; D517-T520 PolarHBondContact O-N 3.07Å; L518-T520 VanDerWaalsContact C-N 3.28Å; L518-T520 PolarHBondContact O-N 2.99Å
521	V	95.3	Very high	97.5	Very high	60 Å²	60	46.1 Å²	46.1	36%	0.364	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	23	172.7	-60	0	0	0	0	113.2	I131 D517 L518 W519	I131-V521 HydrophobicContact CD1-CG1 4.45Å; D517-V521 PolarHBondContact O-N 2.8Å; L518-V521 CarbonylContact O-C 3.54Å; L518-V521 WeakPolarHBondContact O-CG2 3.01Å; L518-V521 PolarHBondContact O-N 2.89Å; W519-V521 PolarHBondContact O-N 3.24Å
522	N	96.5	Very high	97.6	Very high	124 Å²	124	46.1 Å²	46.1	66%	0.663	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	36.4	-178.9	-59.3	-40.7	0	0	0	115	H189 L518 W519	H189-N522 PolarHBondContact CD2-O 2.99Å; L518-N522 PolarHBondContact O-N 3.35Å; W519-N522 PolarHBondContact O-N 3.04Å
523	G	97.8	Very high	97.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	74.5	-169.6	174.3	0	0	0	0	0	114	L518 N526	L518-G523 WeakPolarHBondContact O-CA 3.41Å; L518-G523 PolarHBondContact O-N 2.83Å; G523-N526 PolarHBondContact O-ND2 3.39Å
524	L	98.6	Very high	97.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-126.5	147.1	178.7	-56.4	173.9	0	0	0	112	H189 C470 L518 N529 D532 L534	H189-L524 PolarHBondContact CE1-O 3.43Å; H189-L524 VanDerWaalsContact CE1-O 3.27Å; H189-L524 PolarHBondContact NE2-O 2.64Å; H189-L524 VanDerWaalsContact NE2-O 3.08Å; C470-L524 HydrophobicContact CB-CD1 4.27Å; C470-L524 HydrophobicContact CB-CG 4.43Å; C470-L524 WeakPolarHBondContact O-CA 3.49Å; C470-L524 VanDerWaalsContact O-CB 3.27Å; C470-L524 WeakPolarHBondContact O-CB 3.38Å; C470-L524 PolarHBondContact O-N 3.31Å; L518-L524 HydrophobicContact CD1-CD1 3.89Å; L518-L524 HydrophobicContact CD1-CG 4.43Å; L518-L524 HydrophobicContact CD2-CD1 4.06Å; L518-L524 HydrophobicContact CD2-CD2 4.15Å; L518-L524 HydrophobicContact CD2-CG 4.13Å; L524-N529 HydrophobicContact CD2-CB 3.55Å; L524-D532 HydrophobicContact CB-CB 4.38Å; L524-D532 WeakPolarHBondContact CD1-O 3.34Å; L524-L534 HydrophobicContact CD1-CD2 4.01Å; L524-L534 HydrophobicContact CD1-CG 4.15Å
525	P	98.6	Very high	97.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	S	Bend	cis	-71.3	159.1	-10.7	32.4	-37.4	0	0	0	112.1	L175 C190 L195 N529	L175-P525 HydrophobicContact CD2-CG 4.32Å; C190-P525 PolarHBondContact SG-O 2.9Å; L195-P525 HydrophobicContact CD2-CG 3.53Å; P525-N529 CarbonylContact C-O 3.57Å; P525-N529 VanDerWaalsContact CA-O 3.31Å; P525-N529 WeakPolarHBondContact CA-O 3.41Å; P525-N529 WeakPolarHBondContact CB-O 3.15Å
526	N	97.8	Very high	97.7	Very high	16 Å²	16	40.3 Å²	40.3	9%	0.086	21%	0.206	C	C	.	.			trans	-138.5	-168.2	177.4	66	48.5	0	0	0	111.4	G523 N528 N529	G523-N526 PolarHBondContact O-ND2 3.39Å; N526-N528 PolarHBondContact O-N 3.22Å; N526-N528 PolarHBondContact OD1-N 3.01Å; N526-N529 PolarHBondContact N-O 3.3Å; N526-N529 PolarHBondContact OD1-N 3.46Å
527	E	96.5	Very high	97.8	Very high	91 Å²	91	33.4 Å²	33.4	43%	0.425	17%	0.174	S	C	.	.	S	Bend	trans	-64.7	-23.1	-176.1	-65.2	176	-153.3	0	0	113.7	R191 V194 N203	R191-E527 VanDerWaalsContact CD-OE1 3.28Å; R191-E527 WeakPolarHBondContact CD-OE1 3.46Å; R191-E527 IonicContact CZ-OE1 3.61Å; R191-E527 IonicContact NE-OE1 3.56Å; R191-E527 IonicContact NH1-OE1 2.79Å; R191-E527 PolarHBondContact NH1-OE1 2.88Å; R191-E527 IonicContact NH1-OE2 3.82Å; V194-E527 HydrophobicContact CG1-CB 4.37Å; V194-E527 HydrophobicContact CG1-CG 3.59Å; N203-E527 PolarHBondContact ND2-O 2.98Å
528	N	94.9	Very high	97.9	Very high	125 Å²	125	31.3 Å²	31.3	67%	0.668	16%	0.163	S	C	*	.	S	Bend	trans	-113.4	-28.8	-174.8	-59.6	111.4	0	0	0	113.3	N526	N526-N528 PolarHBondContact O-N 3.22Å; N526-N528 PolarHBondContact OD1-N 3.01Å
529	N	97.8	Very high	97.9	Very high	38 Å²	38	34.8 Å²	34.8	20%	0.203	18%	0.178	C	C	.	.			trans	-118.8	111.7	178.2	-61.9	108.2	0	0	0	109.1	L524 P525 N526	L524-N529 HydrophobicContact CD2-CB 3.55Å; P525-N529 CarbonylContact C-O 3.57Å; P525-N529 VanDerWaalsContact CA-O 3.31Å; P525-N529 WeakPolarHBondContact CA-O 3.41Å; P525-N529 WeakPolarHBondContact CB-O 3.15Å; N526-N529 PolarHBondContact N-O 3.3Å; N526-N529 PolarHBondContact OD1-N 3.46Å
530	S	98.6	Very high	97.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.			trans	-102.6	18.5	-165.7	-69.8	0	0	0	0	115.1	R200 N203	R200-S530 WeakPolarHBondContact CD-O 3.49Å; R200-S530 PolarHBondContact NH1-O 3.18Å; R200-S530 WeakPolarHBondContact O-CB 3.46Å; N203-S530 VanDerWaalsContact CB-OG 3.31Å; N203-S530 WeakPolarHBondContact CB-OG 3.37Å; N203-S530 PolarHBondContact ND2-OG 2.98Å
531	S	98.8	Very high	97.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-125.5	157.9	163.6	178.1	0	0	0	0	108.6	Y172 N173 H533	Y172-S531 WeakPolarHBondContact OH-CB 3.46Å; N173-S531 WeakPolarHBondContact O-CB 3.4Å; N173-S531 PolarHBondContact O-OG 3.36Å; S531-H533 PolarHBondContact O-N 3.49Å; S531-H533 PolarHBondContact OG-N 3.32Å; S531-H533 VanDerWaalsContact OG-N 3.12Å
532	D	98.7	Very high	97.7	Very high	5 Å²	5	26 Å²	26	3%	0.027	13%	0.128	C	C	.	.	S	Bend	trans	-74.5	-7.6	167.3	56.6	-19.1	0	0	0	113.6	L175 Y187 T469 C470 H471 L524	L175-D532 WeakPolarHBondContact CB-OD1 3.24Å; L175-D532 HydrophobicContact CD2-CB 4.29Å; Y187-D532 HydrophobicContact CE1-CB 3.78Å; Y187-D532 VanDerWaalsContact CE1-OD2 3.31Å; Y187-D532 WeakPolarHBondContact CE1-OD2 3.47Å; Y187-D532 PolarHBondContact OH-OD2 2.76Å; T469-D532 VanDerWaalsContact CA-O 3.26Å; T469-D532 WeakPolarHBondContact CA-O 3.42Å; T469-D532 PolarHBondContact OG1-O 2.81Å; C470-D532 PolarHBondContact N-O 3.42Å; H471-D532 HydrophobicContact CB-CB 4.38Å; H471-D532 IonicContact CD2-OD2 3.83Å; L524-D532 HydrophobicContact CB-CB 4.38Å; L524-D532 WeakPolarHBondContact CD1-O 3.34Å
533	H	98.9	Very high	97.3	Very high	10 Å²	10	23.6 Å²	23.6	5%	0.046	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-104.9	160.1	171.7	-66.9	-124.3	0	0	0	112.1	Y172 N173 D351 T468 T469 D479 S531	Y172-H533 HydrophobicContact CE2-CB 4.47Å; Y172-H533 VanDerWaalsContact CE2-O 3.26Å; Y172-H533 WeakPolarHBondContact CE2-O 3.42Å; N173-H533 HydrophobicContact CB-CB 4.07Å; D351-H533 IonicContact OD2-CE1 3.9Å; D351-H533 PolarHBondContact OD2-CE1 2.91Å; D351-H533 VanDerWaalsContact OD2-CE1 3.26Å; D351-H533 IonicContact OD2-NE2 2.64Å; T468-H533 CarbonylContact O-C 3.38Å; T468-H533 WeakPolarHBondContact O-CA 3.46Å; T469-H533 PolarHBondContact OG1-CD2 2.98Å; T469-H533 PolarHBondContact OG1-NE2 2.99Å; D479-H533 VanDerWaalsContact CG-ND1 3.34Å; D479-H533 IonicContact OD1-CE1 2.72Å; D479-H533 IonicContact OD1-ND1 2.65Å; D479-H533 PolarHBondContact OD1-ND1 3.24Å; D479-H533 IonicContact OD2-CE1 3.56Å; D479-H533 IonicContact OD2-CG 2.8Å; D479-H533 IonicContact OD2-ND1 3.77Å; D479-H533 PolarHBondContact OD2-ND1 3.45Å; S531-H533 PolarHBondContact O-N 3.49Å; S531-H533 PolarHBondContact OG-N 3.32Å; S531-H533 VanDerWaalsContact OG-N 3.12Å
534	L	98.8	Very high	96.6	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-98.7	139.9	169.9	-65.9	179.3	0	0	0	110	T468 L512 L513 L518 L524 L536	T468-L534 PolarHBondContact O-N 2.77Å; L512-L534 HydrophobicContact CD2-CB 4.34Å; L512-L534 HydrophobicContact CD2-CD1 4.24Å; L513-L534 HydrophobicContact CB-CD1 4.2Å; L513-L534 HydrophobicContact CD1-CD1 4.24Å; L513-L534 HydrophobicContact CG-CD1 4.3Å; L518-L534 HydrophobicContact CD1-CD1 4.25Å; L518-L534 HydrophobicContact CD2-CD1 4.32Å; L518-L534 HydrophobicContact CD2-CD2 4.28Å; L524-L534 HydrophobicContact CD1-CD2 4.01Å; L524-L534 HydrophobicContact CD1-CG 4.15Å; L534-L536 WeakPolarHBondContact O-CD1 3.4Å; L534-L536 PolarHBondContact O-N 3.27Å
535	P	98.8	Very high	96.4	Very high	1 Å²	1	29 Å²	29	1%	0.006	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-67.6	127.1	173.8	24.4	-29.9	0	0	0	110.2	R133 M170 Y172 F211	R133-P535 VanDerWaalsContact CZ-O 3.23Å; R133-P535 PolarHBondContact NH1-O 3.48Å; R133-P535 PolarHBondContact NH2-O 3.26Å; M170-P535 HydrophobicContact CE-CB 4.35Å; M170-P535 HydrophobicContact CG-CB 4.19Å; M170-P535 HydrophobicContact SD-CB 4.13Å; Y172-P535 HydrophobicContact CD1-CB 3.75Å; Y172-P535 HydrophobicContact CD1-CG 4.35Å; Y172-P535 HydrophobicContact CD2-CB 3.91Å; Y172-P535 HydrophobicContact CE1-CB 4.07Å; Y172-P535 HydrophobicContact CE1-CG 4.16Å; Y172-P535 HydrophobicContact CE2-CB 4.24Å; Y172-P535 HydrophobicContact CE2-CG 4.41Å; Y172-P535 HydrophobicContact CG-CB 3.67Å; F211-P535 HydrophobicContact CE2-CG 4.31Å
536	L	98.9	Very high	96.3	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	143.6	166.7	-84.1	64.7	0	0	0	108.6	M170 S171 Y455 T468 D479 I481 L512 L534	M170-L536 CarbonylContact C-O 3.15Å; M170-L536 WeakPolarHBondContact CA-O 3.38Å; M170-L536 WeakPolarHBondContact CG-O 3.28Å; S171-L536 PolarHBondContact N-O 3.09Å; S171-L536 PolarHBondContact O-N 2.86Å; Y455-L536 HydrophobicContact CD2-CD2 3.63Å; Y455-L536 HydrophobicContact CD2-CG 3.99Å; Y455-L536 HydrophobicContact CE2-CB 3.74Å; Y455-L536 HydrophobicContact CE2-CD2 3.51Å; Y455-L536 HydrophobicContact CE2-CG 3.4Å; T468-L536 HydrophobicContact CG2-CD1 3.78Å; D479-L536 HydrophobicContact CB-CD1 3.85Å; D479-L536 HydrophobicContact CB-CD2 4.23Å; D479-L536 WeakPolarHBondContact O-CD2 3.16Å; I481-L536 HydrophobicContact CD1-CB 3.78Å; I481-L536 HydrophobicContact CG1-CB 4.03Å; I481-L536 HydrophobicContact CG1-CD2 4.25Å; L512-L536 HydrophobicContact CD2-CD1 4.21Å; L534-L536 WeakPolarHBondContact O-CD1 3.4Å; L534-L536 PolarHBondContact O-N 3.27Å
537	L	98.8	Very high	96.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	129	-177.8	-174.5	68.7	0	0	0	111.1	W135 V169 M170 F211 A213 Y455 R509 L510	W135-L537 HydrophobicContact CH2-CD2 3.57Å; W135-L537 HydrophobicContact CH2-CG 3.59Å; W135-L537 HydrophobicContact CZ2-CD2 3.3Å; W135-L537 HydrophobicContact CZ2-CG 3.91Å; W135-L537 HydrophobicContact CZ3-CG 4.48Å; V169-L537 WeakPolarHBondContact O-CA 3.43Å; M170-L537 HydrophobicContact CB-CD1 3.91Å; M170-L537 HydrophobicContact CE-CD1 4.32Å; F211-L537 HydrophobicContact CB-CD2 3.77Å; F211-L537 HydrophobicContact CD1-CD2 3.49Å; F211-L537 VanDerWaalsContact CD1-CD2 3.49Å; F211-L537 HydrophobicContact CE1-CD2 4.23Å; F211-L537 HydrophobicContact CG-CD2 3.7Å; A213-L537 HydrophobicContact CB-CD1 3.63Å; Y455-L537 PolarHBondContact OH-N 3.27Å; Y455-L537 PolarHBondContact OH-O 2.65Å; R509-L537 CarbonylContact C-O 3.54Å; R509-L537 WeakPolarHBondContact CA-O 3.37Å; L510-L537 HydrophobicContact CB-CB 3.83Å; L510-L537 HydrophobicContact CB-CD2 4.39Å; L510-L537 HydrophobicContact CD2-CB 4.23Å; L510-L537 HydrophobicContact CD2-CD2 4.28Å; L510-L537 PolarHBondContact N-O 3.47Å
538	A	98.8	Very high	96.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152.2	-178.8	0	0	0	0	0	111.3	S168 V169 V454 I481 L506 A508 F540	S168-A538 CarbonylContact C-O 3.54Å; S168-A538 WeakPolarHBondContact CA-O 3.41Å; S168-A538 WeakPolarHBondContact CB-O 3.39Å; V169-A538 PolarHBondContact N-O 2.68Å; V169-A538 PolarHBondContact O-N 2.84Å; V454-A538 HydrophobicContact CG1-CB 3.89Å; V454-A538 HydrophobicContact CG2-CB 3.84Å; I481-A538 HydrophobicContact CD1-CB 4.29Å; L506-A538 HydrophobicContact CD1-CB 4.06Å; A508-A538 CarbonylContact O-C 3.47Å; A508-A538 WeakPolarHBondContact O-CA 3.41Å; A538-F540 HydrophobicContact CB-CD2 4.34Å; A538-F540 HydrophobicContact CB-CE1 4.43Å; A538-F540 HydrophobicContact CB-CE2 3.61Å; A538-F540 HydrophobicContact CB-CZ 3.68Å
539	K	98.6	Very high	96.3	Very high	74 Å²	74	21.8 Å²	21.8	32%	0.322	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.6	166.3	-78.5	-179.8	179.8	-174.4	0	109.1	W135 F167 L507 A508	W135-K539 HydrophobicContact CH2-CD 4.03Å; W135-K539 HydrophobicContact CH2-CG 3.75Å; W135-K539 HydrophobicContact CZ3-CB 4.44Å; W135-K539 HydrophobicContact CZ3-CD 4.13Å; W135-K539 HydrophobicContact CZ3-CG 3.9Å; F167-K539 CarbonylContact O-C 3.56Å; F167-K539 WeakPolarHBondContact O-CA 3.32Å; L507-K539 HydrophobicContact CB-CB 4.18Å; L507-K539 PolarHBondContact N-O 3.47Å; A508-K539 HydrophobicContact CB-CB 4.31Å; A508-K539 PolarHBondContact N-O 3.43Å; A508-K539 PolarHBondContact O-N 2.94Å
540	F	97.7	Very high	96.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	155.9	178.9	-62.4	-71.7	0	0	0	111.2	D166 F167 V169 V347 V454 I481 Y483 L504 K505 L506 A538	D166-F540 VanDerWaalsContact CA-O 3.3Å; D166-F540 WeakPolarHBondContact CA-O 3.31Å; F167-F540 HydrophobicContact CD1-CB 4.26Å; F167-F540 HydrophobicContact CE1-CB 3.78Å; F167-F540 HydrophobicContact CE2-CD2 4.17Å; F167-F540 HydrophobicContact CZ-CB 3.93Å; F167-F540 HydrophobicContact CZ-CD2 4.17Å; F167-F540 HydrophobicContact CZ-CG 4.39Å; F167-F540 PolarHBondContact N-O 2.98Å; F167-F540 PolarHBondContact O-N 3.01Å; V169-F540 HydrophobicContact CB-CE2 4.16Å; V169-F540 HydrophobicContact CG2-CD2 3.91Å; V169-F540 HydrophobicContact CG2-CE2 3.91Å; V347-F540 HydrophobicContact CG1-CE2 4.45Å; V347-F540 HydrophobicContact CG2-CE2 4.42Å; V454-F540 HydrophobicContact CG2-CE1 3.99Å; V454-F540 HydrophobicContact CG2-CZ 3.52Å; I481-F540 HydrophobicContact CG2-CE2 4.18Å; I481-F540 HydrophobicContact CG2-CZ 3.98Å; Y483-F540 AromaticContact CD1-CE1 3.59Å; Y483-F540 HydrophobicContact CD1-CE1 3.59Å; Y483-F540 AromaticContact CD1-CZ 3.99Å; Y483-F540 HydrophobicContact CD1-CZ 3.99Å; Y483-F540 HydrophobicContact CD2-CD1 4.32Å; Y483-F540 AromaticContact CD2-CE1 3.88Å; Y483-F540 HydrophobicContact CD2-CE1 3.88Å; Y483-F540 HydrophobicContact CE1-CE1 4.06Å; Y483-F540 HydrophobicContact CE2-CE1 4.31Å; Y483-F540 HydrophobicContact CG-CD1 4.31Å; Y483-F540 AromaticContact CG-CE1 3.49Å; Y483-F540 HydrophobicContact CG-CE1 3.49Å; Y483-F540 VanDerWaalsContact CG-CE1 3.49Å; Y483-F540 HydrophobicContact CG-CZ 4.01Å; L504-F540 HydrophobicContact CB-CB 4.44Å; L504-F540 HydrophobicContact CB-CD1 4.16Å; L504-F540 HydrophobicContact CD1-CG 4.39Å; L504-F540 HydrophobicContact CD2-CB 4.46Å; K505-F540 CarbonylContact O-C 3.56Å; K505-F540 VanDerWaalsContact O-CA 3.27Å; K505-F540 WeakPolarHBondContact O-CA 3.28Å; L506-F540 HydrophobicContact CB-CD1 4.46Å; L506-F540 HydrophobicContact CB-CE1 4.36Å; L506-F540 HydrophobicContact CD1-CD1 4.16Å; L506-F540 HydrophobicContact CD1-CE1 3.78Å; L506-F540 HydrophobicContact CD1-CZ 4.37Å; A538-F540 HydrophobicContact CB-CD2 4.34Å; A538-F540 HydrophobicContact CB-CE1 4.43Å; A538-F540 HydrophobicContact CB-CE2 3.61Å; A538-F540 HydrophobicContact CB-CZ 3.68Å
541	R	95.1	Very high	96.1	Very high	58 Å²	58	22.1 Å²	22.1	22%	0.219	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.3	165.4	176.5	165.4	-63.4	158.1	4.8	109.4	K164 D166 K505 L507 E543	K164-R541 HydrophobicContact CB-CG 4.21Å; D166-R541 VanDerWaalsContact OD1-CB 3.3Å; D166-R541 WeakPolarHBondContact OD1-CB 3.12Å; D166-R541 VanDerWaalsContact OD1-CG 3.27Å; D166-R541 WeakPolarHBondContact OD1-CG 3.49Å; D166-R541 IonicContact OD1-CZ 3.81Å; D166-R541 IonicContact OD1-NE 3.24Å; D166-R541 PolarHBondContact OD1-NE 3.2Å; D166-R541 IonicContact OD1-NH2 3.57Å; D166-R541 IonicContact OD2-CZ 3.39Å; D166-R541 IonicContact OD2-NE 3.81Å; D166-R541 IonicContact OD2-NH2 2.84Å; D166-R541 PolarHBondContact OD2-NH2 3.02Å; K505-R541 HydrophobicContact CB-CB 4.3Å; K505-R541 PolarHBondContact N-O 3.22Å; K505-R541 PolarHBondContact O-N 3.31Å; L507-R541 HydrophobicContact CD1-CB 4Å; L507-R541 HydrophobicContact CD2-CB 3.9Å; L507-R541 HydrophobicContact CG-CB 3.96Å; R541-E543 WeakPolarHBondContact CD-OE1 3.35Å; R541-E543 WeakPolarHBondContact CD-OE2 3.41Å; R541-E543 HydrophobicContact CG-CG 4.43Å
542	L	92.4	Very high	95.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	117.4	161.1	175.8	63.7	0	0	0	107.5	K164 F165 P294 P302 I304 P345 L504 L544	K164-L542 WeakPolarHBondContact CA-O 3.46Å; F165-L542 HydrophobicContact CB-CB 4.31Å; F165-L542 PolarHBondContact N-O 3.06Å; F165-L542 PolarHBondContact O-N 3.21Å; P294-L542 HydrophobicContact CG-CD2 4.4Å; P302-L542 HydrophobicContact CG-CD1 4.18Å; P302-L542 HydrophobicContact CG-CD2 4.04Å; I304-L542 HydrophobicContact CD1-CD2 4.1Å; I304-L542 HydrophobicContact CG1-CD2 4.3Å; P345-L542 HydrophobicContact CG-CD1 3.65Å; L504-L542 HydrophobicContact CD2-CB 3.83Å; L504-L542 HydrophobicContact CD2-CD1 4.21Å; L542-L544 HydrophobicContact CD2-CD2 4.01Å; L542-L544 HydrophobicContact CG-CD2 4.1Å
543	E	88	Confident	95.6	Very high	73 Å²	73	25.4 Å²	25.4	34%	0.341	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	138.5	169.8	-52.7	-70.5	-166.7	0	0	108.3	K505 R541	K505-E543 HydrophobicContact CD-CG 4.2Å; K505-E543 IonicContact NZ-OE1 3.88Å; K505-E543 PolarHBondContact NZ-OE1 2.89Å; R541-E543 WeakPolarHBondContact CD-OE1 3.35Å; R541-E543 WeakPolarHBondContact CD-OE2 3.41Å; R541-E543 HydrophobicContact CG-CG 4.43Å
544	L	82.6	Confident	95.3	Very high	85 Å²	85	26.8 Å²	26.8	45%	0.445	12%	0.123	S	C	.	.			trans	-109.9	0	-171.1	-61.8	171.1	0	0	0	113.4	N163 F165 I296 L542	N163-L544 PolarHBondContact O-N 2.83Å; F165-L544 HydrophobicContact CB-CD1 4.36Å; I296-L544 HydrophobicContact CD1-CD1 3.26Å; I296-L544 HydrophobicContact CD1-CD2 4Å; I296-L544 HydrophobicContact CD1-CG 4.24Å; L542-L544 HydrophobicContact CD2-CD2 4.01Å; L542-L544 HydrophobicContact CG-CD2 4.1Å

Retrieved 544 of 544 residues in 1045.1 ms (Link to these results)

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