A0A096NSI1_PAPAN Loading...

Cyclic GMP-AMP synthase

AlphaFold DB , UniProt , Accession A0A096NSI1, Species PAPAN (Papio anubis, Olive baboon), Gene CGAS, Length 522 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.4	Very low	38.8	Very low	250 Å²	250	180.4 Å²	180.4	100%	1.232	89%	0.887	S	S	*	*				0	145.4	0	-68.4	171.8	176.4	0	0	109.1
2	Q	39.1	Very low	38.3	Very low	186 Å²	186	173.1 Å²	173.1	87%	0.869	88%	0.877	S	S	*	*			trans	-119.2	178.5	162.7	-82	-166.9	2.1	0	0	106.8
3	P	59.3	Low	38	Very low	96 Å²	96	169 Å²	169	62%	0.623	88%	0.875	S	S	*	*			cis	-133.7	-177.9	4.4	42	-25.8	0	0	0	115.1
4	R	39.3	Very low	37.9	Very low	255 Å²	255	171.3 Å²	171.3	96%	0.962	88%	0.879	S	S	*	*			trans	-131.6	147.9	138.7	-82	-167	169.4	-176.8	-2.8	109.4
5	Q	40.3	Very low	37.8	Very low	189 Å²	189	166.9 Å²	166.9	88%	0.883	88%	0.878	S	S	*	*			trans	-119.6	164	-171.6	-69.2	-178.3	-22.2	0	0	112.4
6	G	33.4	Very low	37.2	Very low	72 Å²	72	161.4 Å²	161.4	74%	0.742	87%	0.874	S	S	*	*			trans	118.7	138	160.5	0	0	0	0	0	113.6
7	K	35.3	Very low	37	Very low	218 Å²	218	157.2 Å²	157.2	95%	0.948	87%	0.867	S	S	*	*			cis	-142.5	165.4	-4.1	-90	-179.5	175.2	174.9	0	109.5
8	A	36.2	Very low	36.6	Very low	98 Å²	98	155.4 Å²	155.4	81%	0.81	86%	0.862	S	S	*	*			trans	-110.1	161.9	-175.9	0	0	0	0	0	113.6
9	T	33.2	Very low	36.7	Very low	149 Å²	149	154 Å²	154	91%	0.914	86%	0.857	S	S	*	*			trans	-118.2	166.7	165.5	-18.6	0	0	0	0	109.9
10	R	35.9	Very low	37	Very low	226 Å²	226	152.6 Å²	152.6	85%	0.853	86%	0.855	S	S	*	*			trans	-109.9	142.1	-152.8	-68	170.7	164.1	174.1	-6.2	115.8
11	R	34.2	Very low	36.7	Very low	245 Å²	245	154.6 Å²	154.6	93%	0.925	86%	0.858	S	S	*	*			trans	60.1	163.5	138.8	-71.6	-174.7	175.2	-169.4	-2.7	117.4
12	A	32.7	Very low	36.4	Very low	93 Å²	93	147 Å²	147	77%	0.769	84%	0.835	S	S	*	*			cis	-128.7	-178.3	8.7	0	0	0	0	0	113.2
13	S	34.5	Very low	36	Very low	120 Å²	120	144.1 Å²	144.1	84%	0.839	84%	0.835	S	S	*	*			trans	-133.4	146.7	-178.3	-49.1	0	0	0	0	109.3
14	E	36.6	Very low	34.8	Very low	201 Å²	201	143.3 Å²	143.3	94%	0.939	84%	0.836	S	S	*	*			trans	-150.3	157.4	157.4	-139.3	159.1	-129.2	0	0	109.6
15	A	35.8	Very low	34.4	Very low	105 Å²	105	142.6 Å²	142.6	87%	0.868	83%	0.833	S	S	*	*			trans	-145.4	148	-169.2	0	0	0	0	0	111.7
16	G	28.8	Very low	34	Very low	79 Å²	79	139.3 Å²	139.3	81%	0.814	83%	0.831	S	S	*	*			trans	-150.4	137.2	176	0	0	0	0	0	111.4
17	A	33.6	Very low	33.9	Very low	91 Å²	91	139.4 Å²	139.4	75%	0.752	83%	0.825	S	S	*	*			trans	-94.7	-176.7	172.4	0	0	0	0	0	109.3
18	T	30.9	Very low	33.7	Very low	125 Å²	125	140.8 Å²	140.8	77%	0.767	83%	0.825	S	S	*	*			cis	-162.1	149.1	19.9	-26.9	0	0	0	0	110.5
19	V	37.1	Very low	33.3	Very low	128 Å²	128	139.9 Å²	139.9	78%	0.776	83%	0.825	S	S	*	*			trans	32	135.4	146.4	175.4	0	0	0	0	121.4
20	P	42.7	Very low	33.2	Very low	125 Å²	125	137.4 Å²	137.4	81%	0.812	82%	0.819	S	S	*	*			trans	-86.8	165.4	177.1	37.3	-38.1	0	0	0	115.3
21	E	31.5	Very low	33	Very low	196 Å²	196	137.8 Å²	137.8	92%	0.916	82%	0.821	S	S	*	*			trans	-103.3	160.5	176.3	-167	170.4	-138.3	0	0	112.6
22	A	33.6	Very low	32.9	Very low	91 Å²	91	132.2 Å²	132.2	75%	0.752	81%	0.814	S	S	*	*			trans	-148.4	146.1	-171.2	0	0	0	0	0	115
23	S	30.2	Very low	33	Very low	125 Å²	125	134.9 Å²	134.9	87%	0.874	82%	0.815	S	S	*	*			trans	-176.3	159.3	159.3	-88.3	0	0	0	0	111.8
24	A	34.7	Very low	32.7	Very low	78 Å²	78	139.9 Å²	139.9	65%	0.645	82%	0.816	S	S	*	*			cis	-172.4	163.3	-27.2	0	0	0	0	0	110.2
25	R	31.5	Very low	32.4	Very low	240 Å²	240	135.5 Å²	135.5	91%	0.906	80%	0.799	S	S	*	*			trans	74.2	126.9	171	-54.6	176.6	175.6	-174.6	-3.1	114.9
26	S	31.3	Very low	32.2	Very low	120 Å²	120	138.8 Å²	138.8	84%	0.839	80%	0.796	S	S	*	*			cis	82	134.4	45	-161.4	0	0	0	0	112
27	A	31.3	Very low	32.5	Very low	74 Å²	74	140.4 Å²	140.4	61%	0.612	80%	0.795	S	S	*	*			cis	-151.7	173.3	24.2	0	0	0	0	0	115
28	R	31.1	Very low	33	Very low	248 Å²	248	142.3 Å²	142.3	94%	0.936	80%	0.8	S	S	*	*			trans	23.6	142.9	144.4	-57.4	171.3	-169.5	-161.2	2	119.7
29	G	28.2	Very low	33.1	Very low	79 Å²	79	140.9 Å²	140.9	81%	0.814	80%	0.801	S	S	*	*			cis	-166.9	-155.3	14	0	0	0	0	0	113
30	A	30.4	Very low	33.2	Very low	96 Å²	96	139.3 Å²	139.3	79%	0.793	80%	0.801	S	S	*	*			trans	-140.7	172.3	-164.7	0	0	0	0	0	114.8
31	R	32.7	Very low	33.2	Very low	235 Å²	235	139.8 Å²	139.8	89%	0.887	80%	0.804	S	S	*	*			trans	79.8	150.1	176	-53.2	-175.8	177.3	-172.3	-1.6	114.5
32	T	31.7	Very low	33.1	Very low	127 Å²	127	139.3 Å²	139.3	78%	0.779	80%	0.802	S	S	*	*			cis	-155.5	167.4	0.5	-4.5	0	0	0	0	111.1
33	D	34	Very low	33.1	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	80%	0.802	S	S	*	*			trans	-67.3	149.2	169.6	-43.2	-100.4	0	0	0	114.1
34	R	29.9	Very low	33.1	Very low	225 Å²	225	138.3 Å²	138.3	85%	0.849	80%	0.801	S	S	*	*				-176.7	146.2	115.3	-115.9	-179.8	161.9	160.9	-5.4	116.7
35	N	30.2	Very low	33.2	Very low	110 Å²	110	142.8 Å²	142.8	59%	0.588	81%	0.813	S	S	*	*			trans	36.4	132.5	142.3	-80.5	36.8	0	0	0	125
36	E	30.1	Very low	33.5	Very low	173 Å²	173	137.2 Å²	137.2	81%	0.808	81%	0.808	S	S	*	*			trans	82.4	154.8	131.1	-70.7	172.2	124	0	0	121.8
37	S	34.9	Very low	33.5	Very low	114 Å²	114	141.1 Å²	141.1	80%	0.797	81%	0.813	S	S	*	*			trans	-93.6	168.3	-165.8	-45.7	0	0	0	0	113.2
38	P	44.3	Very low	33.8	Very low	131 Å²	131	142 Å²	142	85%	0.851	82%	0.82	S	S	*	*				-131.1	179.3	118.1	37.1	-29.4	0	0	0	113.3
39	A	34	Very low	33.6	Very low	95 Å²	95	133.4 Å²	133.4	79%	0.785	81%	0.809	S	S	*	*			trans	-103.6	163	-176.2	0	0	0	0	0	113.3
40	A	38.3	Very low	33.8	Very low	94 Å²	94	139 Å²	139	78%	0.777	81%	0.811	S	S	*	*			trans	38.2	137.9	156.9	0	0	0	0	0	120.7
41	P	43.1	Very low	33.8	Very low	136 Å²	136	145.3 Å²	145.3	88%	0.883	82%	0.821	S	S	*	*				-134.8	-173.3	105.2	39.7	-31.6	0	0	0	114.3
42	E	30.7	Very low	33.6	Very low	185 Å²	185	137.5 Å²	137.5	86%	0.864	81%	0.814	S	S	*	*			trans	-117.9	159.9	-165.1	-170.3	178	-173.2	0	0	112.8
43	A	33.3	Very low	34.6	Very low	92 Å²	92	137.7 Å²	137.7	76%	0.76	82%	0.817	S	S	*	*			trans	57.2	119.3	161.5	0	0	0	0	0	121.2
44	A	29.3	Very low	34.5	Very low	103 Å²	103	135 Å²	135	85%	0.851	82%	0.816	S	S	*	*				-178.2	153.6	118.8	0	0	0	0	0	112.8
45	L	38	Very low	34.6	Very low	173 Å²	173	136.1 Å²	136.1	91%	0.906	82%	0.82	S	S	*	*			trans	-97.4	160.5	171.7	-73.3	160.3	0	0	0	111.3
46	P	37.5	Very low	34.8	Very low	123 Å²	123	140.2 Å²	140.2	80%	0.799	83%	0.832	S	S	*	*			trans	-114.8	144.1	147.1	35.3	-27.7	0	0	0	112.4
47	E	31.2	Very low	34.9	Very low	202 Å²	202	137.6 Å²	137.6	94%	0.944	83%	0.833	S	S	*	*			trans	-97.3	-179.7	178.3	-124.4	-166.2	-179.7	0	0	113.2
48	A	36.1	Very low	34.7	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	83%	0.825	S	S	*	*			trans	-100.5	163	-168	0	0	0	0	0	116
49	G	28	Very low	34.1	Very low	68 Å²	68	134.5 Å²	134.5	70%	0.701	82%	0.824	S	S	*	*			trans	-121.5	126.8	156.2	0	0	0	0	0	109.3
50	K	32.6	Very low	34.1	Very low	196 Å²	196	139.9 Å²	139.9	85%	0.852	82%	0.824	S	S	*	*				96.6	107.6	55.5	-88.5	-178.1	179.5	174.2	0	112.5
51	F	29.1	Very low	33.8	Very low	229 Å²	229	143 Å²	143	100%	1.004	82%	0.823	S	S	*	*			trans	-140.1	153	140.7	-98.3	-77.3	0	0	0	109
52	G	30.4	Very low	33.3	Very low	71 Å²	71	145.9 Å²	145.9	73%	0.732	82%	0.821	S	S	*	*			trans	-111.8	179.3	-156.3	0	0	0	0	0	117.8
53	P	51.1	Low	33.3	Very low	131 Å²	131	147 Å²	147	85%	0.851	82%	0.823	S	S	*	*			trans	-118.4	172.7	-166	42.5	-32.9	0	0	0	115.1
54	A	33.5	Very low	33.3	Very low	93 Å²	93	147.9 Å²	147.9	77%	0.769	82%	0.824	S	S	*	*			trans	-179.1	125	138.8	0	0	0	0	0	115
55	R	30.4	Very low	34.4	Very low	247 Å²	247	148.6 Å²	148.6	93%	0.932	82%	0.82	S	S	*	*				177.6	136	120	-97.7	175	179.5	-162	-0.1	114.5
56	K	35.3	Very low	35.1	Very low	196 Å²	196	145.5 Å²	145.5	85%	0.852	81%	0.81	S	S	*	*			trans	-9.7	152.9	153.6	-58.3	178.3	-179.3	-175.8	0	118.2
57	S	32.3	Very low	34.9	Very low	119 Å²	119	146 Å²	146	83%	0.832	81%	0.807	S	S	*	*			cis	-176.1	172.8	-7.8	-87.9	0	0	0	0	108.1
58	G	29.3	Very low	34.9	Very low	61 Å²	61	141.5 Å²	141.5	63%	0.629	79%	0.793	S	S	*	*			cis	149.3	135.9	-7.4	0	0	0	0	0	114.1
59	S	33.7	Very low	34.8	Very low	118 Å²	118	144.8 Å²	144.8	83%	0.825	79%	0.792	S	S	*	*			trans	74.2	156.7	177.7	84.2	0	0	0	0	116.9
60	R	32.4	Very low	34.9	Very low	209 Å²	209	147.3 Å²	147.3	79%	0.789	79%	0.786	S	S	*	*			cis	-139.6	164.5	8.1	-76	-173.4	172.3	-170.1	-1.5	113.5
61	Q	33.2	Very low	34.7	Very low	159 Å²	159	147.1 Å²	147.1	74%	0.743	78%	0.78	S	S	*	*			trans	18.3	132.8	146.7	-64.6	162.1	-58.2	0	0	120.6
62	K	32.6	Very low	34.6	Very low	196 Å²	196	141.3 Å²	141.3	85%	0.852	77%	0.767	S	S	*	*			cis	90.3	100.1	41.5	-173.9	-171.8	-173.7	178.8	0	115
63	K	30.8	Very low	35.8	Very low	208 Å²	208	143.4 Å²	143.4	90%	0.904	77%	0.768	S	S	*	*			trans	-174.3	177.8	138.4	-106.3	177.8	-179.2	-171.5	0	112.6
64	S	32.8	Very low	34.8	Very low	112 Å²	112	143.2 Å²	143.2	78%	0.783	76%	0.764	S	S	*	*			trans	-125.1	179	-154	-36.1	0	0	0	0	113.5
65	P	53.2	Low	34.6	Very low	118 Å²	118	150 Å²	150	77%	0.766	77%	0.77	S	S	*	*			trans	-87.3	-164.2	-171.7	42.7	-39.5	0	0	0	111.9
66	P	52.5	Low	34.7	Very low	107 Å²	107	142.5 Å²	142.5	70%	0.695	76%	0.761	S	S	*	*			cis	-132.2	-151.3	8.4	38	-12.2	0	0	0	113.5
67	D	32	Very low	34.4	Very low	135 Å²	135	140.3 Å²	140.3	72%	0.722	76%	0.764	S	S	*	*			cis	-161.8	-162.9	11.5	-139.9	-42.1	0	0	0	114.2
68	T	31.2	Very low	34.2	Very low	107 Å²	107	138.4 Å²	138.4	66%	0.656	76%	0.763	S	S	*	*			trans	-21.6	152.9	163.2	47.4	0	0	0	0	118.6
69	Q	33.9	Very low	34.3	Very low	160 Å²	160	140.1 Å²	140.1	75%	0.748	77%	0.772	S	S	*	*			cis	-167.5	-178	22.7	-129.1	177.7	74.1	0	0	110.5
70	E	30.3	Very low	34.2	Very low	122 Å²	122	146.3 Å²	146.3	57%	0.57	78%	0.777	S	S	*	*			cis	-149.3	-90.6	-3	-165.2	-157.7	-161.3	0	0	114.9
71	R	28.8	Very low	34.2	Very low	192 Å²	192	141.4 Å²	141.4	73%	0.725	78%	0.781	S	S	*	*			trans	-104.3	132.4	-157.9	-89.3	172.1	-176.2	120.2	-6.2	116.6
72	S	26.9	Very low	34.1	Very low	106 Å²	106	143.3 Å²	143.3	74%	0.741	79%	0.787	S	S	*	*				34.7	163.5	109.5	-48.4	0	0	0	0	122.5
73	P	55.1	Low	34	Very low	116 Å²	116	144.2 Å²	144.2	75%	0.753	79%	0.791	S	S	*	*			cis	-140.6	-165.7	-19.6	25.7	0.7	0	0	0	115.6
74	V	31.1	Very low	34	Very low	126 Å²	126	138.7 Å²	138.7	76%	0.764	78%	0.784	S	S	*	*			trans	120.9	124.6	142.5	-177.6	0	0	0	0	120.6
75	R	29.6	Very low	34.5	Very low	235 Å²	235	138.6 Å²	138.6	89%	0.887	78%	0.78	S	S	*	*			trans	22.9	111.8	155.9	-70.6	177.9	163.1	164.6	-5.9	124.1
76	A	31.7	Very low	33.5	Very low	90 Å²	90	142 Å²	142	74%	0.744	79%	0.786	S	S	*	*				29.2	141.8	109.5	0	0	0	0	0	124
77	T	28.5	Very low	32.4	Very low	150 Å²	150	146.6 Å²	146.6	92%	0.92	79%	0.79	S	S	*	*				-171.5	145.6	126.6	15.1	0	0	0	0	114.6
78	G	27.8	Very low	32.3	Very low	79 Å²	79	144.5 Å²	144.5	81%	0.814	79%	0.791	S	S	*	*			trans	72.2	168.8	156.6	0	0	0	0	0	120.5
79	A	32.9	Very low	32.4	Very low	98 Å²	98	145.3 Å²	145.3	81%	0.81	79%	0.788	S	S	*	*			cis	-165.1	123.5	-30.6	0	0	0	0	0	113.8
80	R	30.8	Very low	32.3	Very low	248 Å²	248	144.4 Å²	144.4	94%	0.936	79%	0.788	S	S	*	*			trans	38	115.8	139.2	-166.8	-167.6	-151.7	-167.2	10	121.4
81	A	31.5	Very low	32.3	Very low	105 Å²	105	143.3 Å²	143.3	87%	0.868	80%	0.799	S	S	*	*			trans	-161.5	142.9	138.6	0	0	0	0	0	116.7
82	K	32.5	Very low	32.4	Very low	199 Å²	199	145.2 Å²	145.2	87%	0.865	81%	0.807	S	S	*	*			trans	-62.6	154.1	-177.2	-54.4	160.3	174.8	178.4	0	116.7
83	K	30	Very low	33	Very low	216 Å²	216	145.4 Å²	145.4	94%	0.939	81%	0.805	S	S	*	*				-167.6	158.7	118.5	-111.7	176.3	-178.8	-179.8	0	113.5
84	A	30.4	Very low	31.9	Very low	91 Å²	91	144.2 Å²	144.2	75%	0.752	80%	0.8	S	S	*	*			trans	-153.7	156.6	173	0	0	0	0	0	110.1
85	P	44.5	Very low	31.8	Very low	110 Å²	110	145.5 Å²	145.5	71%	0.714	80%	0.802	S	S	*	*			trans	-132.3	139.6	134.1	18.6	2	0	0	0	111.5
86	Q	31.5	Very low	31.9	Very low	189 Å²	189	139.1 Å²	139.1	88%	0.883	79%	0.794	S	S	*	*				66.9	155.4	83.6	-62.6	177.9	-54.3	0	0	116.7
87	R	29.5	Very low	31.8	Very low	204 Å²	204	140.9 Å²	140.9	77%	0.77	80%	0.795	S	S	*	*				-174.5	131.9	-52.4	-167.8	-171.2	-157.4	-141.4	12.9	109.8
88	A	28.9	Very low	31.9	Very low	91 Å²	91	138.7 Å²	138.7	75%	0.752	79%	0.786	S	S	*	*			trans	-157.6	141.8	150.8	0	0	0	0	0	107.5
89	Q	34	Very low	32	Very low	125 Å²	125	139.9 Å²	139.9	58%	0.584	79%	0.788	S	S	*	*			cis	76.6	128.6	30.6	-69.9	-167.7	-115.1	0	0	114
90	D	31.3	Very low	31.8	Very low	141 Å²	141	140.2 Å²	140.2	75%	0.754	79%	0.791	S	S	*	*			cis	-126.5	-176.7	5.7	-71.9	-61.1	0	0	0	111.2
91	A	30	Very low	31.6	Very low	98 Å²	98	132 Å²	132	81%	0.81	78%	0.784	S	S	*	*			cis	-146.7	-176.2	12.8	0	0	0	0	0	113.4
92	R	30.8	Very low	31.6	Very low	233 Å²	233	131.3 Å²	131.3	88%	0.879	78%	0.778	S	S	*	*			trans	-124.3	176.8	-178.4	-106	-174.6	-176.2	-162	0.9	109.9
93	P	40.1	Very low	31.5	Very low	109 Å²	109	131.2 Å²	131.2	71%	0.708	78%	0.78	S	S	*	*			cis	-128.3	154.7	23.7	45.8	-30	0	0	0	114.9
94	S	32	Very low	31.3	Very low	91 Å²	91	124 Å²	124	64%	0.636	77%	0.768	S	S	*	*				70.5	145.6	95.9	98.1	0	0	0	0	114.3
95	D	30	Very low	31.3	Very low	154 Å²	154	127.9 Å²	127.9	82%	0.824	78%	0.775	S	S	*	*			cis	-120.3	166.6	26.5	-70.6	-37	0	0	0	117
96	S	30.4	Very low	30.6	Very low	101 Å²	101	130.4 Å²	130.4	71%	0.706	78%	0.777	S	S	*	*			trans	-108.3	154.4	168.1	55.3	0	0	0	0	109.3
97	T	29.5	Very low	31.3	Very low	127 Å²	127	126.1 Å²	126.1	78%	0.779	77%	0.765	S	S	*	*				-161.5	158.5	77.4	31.5	0	0	0	0	116.2
98	S	32.4	Very low	32.3	Very low	104 Å²	104	122 Å²	122	73%	0.727	77%	0.766	S	S	*	*			trans	-3	137.1	161	52.5	0	0	0	0	120.4
99	A	29.1	Very low	32.2	Very low	104 Å²	104	122.4 Å²	122.4	86%	0.86	77%	0.768	S	S	*	*			cis	90.1	115.7	20.1	0	0	0	0	0	118.4
100	A	28.4	Very low	31.9	Very low	105 Å²	105	121.4 Å²	121.4	87%	0.868	78%	0.782	S	S	*	*			trans	-169.5	150.1	156	0	0	0	0	0	107.2
101	G	27.4	Very low	31.7	Very low	76 Å²	76	125.8 Å²	125.8	78%	0.784	79%	0.788	S	S	*	*			cis	101.8	124.9	4.1	0	0	0	0	0	112.5
102	A	31.2	Very low	31.6	Very low	90 Å²	90	129.8 Å²	129.8	74%	0.744	79%	0.79	S	S	*	*			cis	-160.8	-171.4	-6.2	0	0	0	0	0	111.3
103	E	29.6	Very low	32.1	Very low	196 Å²	196	123.9 Å²	123.9	92%	0.916	78%	0.781	S	S	*	*			trans	-11.2	159.9	163.3	-60.1	159.9	138.2	0	0	120.8
104	G	26.5	Very low	31.6	Very low	65 Å²	65	122.5 Å²	122.5	67%	0.67	78%	0.779	S	S	*	*			cis	162.1	-178.4	1.4	0	0	0	0	0	112.9
105	L	30.7	Very low	31.5	Very low	172 Å²	172	126 Å²	126	90%	0.901	79%	0.79	S	S	*	*			trans	73.1	151.1	170.2	-51.5	176.7	0	0	0	116.8
106	E	29.7	Very low	31.5	Very low	163 Å²	163	124.1 Å²	124.1	76%	0.762	79%	0.789	S	S	*	*			cis	-157	-172.9	-5	-105.5	-83.9	91.9	0	0	109
107	P	45.2	Very low	31.5	Very low	99 Å²	99	130.6 Å²	130.6	64%	0.643	80%	0.798	S	S	*	*			trans	-126.3	-142.4	-149	48	-31.9	0	0	0	113.3
108	P	50.5	Low	31.4	Very low	119 Å²	119	129.5 Å²	129.5	77%	0.773	80%	0.802	S	S	*	*			cis	-126.5	178.8	-35.6	39.4	-25.2	0	0	0	113.6
109	A	26.7	Very low	31	Very low	98 Å²	98	127.7 Å²	127.7	81%	0.81	80%	0.8	S	S	*	*			trans	174.7	157.8	142.9	0	0	0	0	0	117.9
110	A	27.9	Very low	31.1	Very low	105 Å²	105	128.8 Å²	128.8	87%	0.868	80%	0.801	S	S	*	*			trans	76.2	162.7	149	0	0	0	0	0	122.9
111	R	28.3	Very low	31.1	Very low	233 Å²	233	133 Å²	133	88%	0.879	79%	0.794	S	S	*	*			trans	-141.2	138.5	-173.9	-78.8	178	166.2	179.2	-5.5	112.1
112	E	27.2	Very low	31.2	Very low	182 Å²	182	137.9 Å²	137.9	85%	0.85	79%	0.789	S	S	*	*			trans	58	175.4	147.8	-67.3	-166.5	179.2	0	0	118.2
113	P	41.9	Very low	31.1	Very low	108 Å²	108	141.4 Å²	141.4	70%	0.701	79%	0.79	S	S	*	*			cis	-137.8	175.1	3.6	44.8	-27.7	0	0	0	118.7
114	A	28.5	Very low	31.1	Very low	80 Å²	80	143.9 Å²	143.9	66%	0.661	79%	0.791	S	S	*	*			trans	70.5	125.4	137.1	0	0	0	0	0	125.7
115	L	30.8	Very low	31	Very low	164 Å²	164	144 Å²	144	86%	0.859	79%	0.792	S	S	*	*				59.3	133.6	129.9	-55.6	172.8	0	0	0	120.5
116	S	29.3	Very low	30.9	Very low	115 Å²	115	140.6 Å²	140.6	80%	0.804	79%	0.789	S	S	*	*				162.6	177.1	78.1	49.3	0	0	0	0	109.7
117	R	29.8	Very low	31	Very low	237 Å²	237	144.4 Å²	144.4	89%	0.894	80%	0.796	S	S	*	*			cis	-172	150.6	-39.8	-175.9	179.4	-169.3	-174.6	4.6	108.1
118	A	27.7	Very low	30.3	Very low	104 Å²	104	145.8 Å²	145.8	86%	0.86	81%	0.807	S	S	*	*			trans	66.1	165.5	175.3	0	0	0	0	0	116
119	G	25.2	Very low	29.3	Very low	67 Å²	67	145.8 Å²	145.8	69%	0.691	81%	0.81	S	S	*	*			cis	155.9	167.7	-12.7	0	0	0	0	0	113.9
120	S	30.3	Very low	29.5	Very low	126 Å²	126	146 Å²	146	88%	0.881	81%	0.805	S	S	*	*			trans	76.2	167	176.3	-158	0	0	0	0	117.1
121	R	28.1	Very low	29.7	Very low	193 Å²	193	150.5 Å²	150.5	73%	0.728	81%	0.805	S	S	*	*				179.7	140.8	-58	-151.6	-171.6	-175.3	-177.2	5.3	107.2
122	R	29.1	Very low	30.2	Very low	180 Å²	180	145.5 Å²	145.5	68%	0.679	80%	0.803	S	S	*	*			trans	65.6	164.4	163.4	-70.5	162.6	175.4	-121.3	9.4	115.7
123	Q	29.9	Very low	30.3	Very low	163 Å²	163	148 Å²	148	76%	0.762	81%	0.805	S	S	*	*			cis	-146.8	-164.9	-13.8	-127	165.1	-62.1	0	0	113.5
124	R	29	Very low	30.3	Very low	249 Å²	249	147.9 Å²	147.9	94%	0.94	80%	0.804	S	S	*	*			trans	-113.8	143.9	-160.9	-167.9	-166.9	-155.5	-151.3	10.9	112.2
125	G	26	Very low	31.3	Very low	67 Å²	67	149.4 Å²	149.4	69%	0.691	81%	0.807	S	S	*	*			trans	176.1	128	165.8	0	0	0	0	0	110.1
126	A	28.6	Very low	31.6	Very low	101 Å²	101	147.9 Å²	147.9	84%	0.835	81%	0.807	S	S	*	*				79.9	136.4	57.9	0	0	0	0	0	113.4
127	R	31.5	Very low	31.4	Very low	242 Å²	242	145.7 Å²	145.7	91%	0.913	80%	0.802	S	S	*	*			cis	-172.2	179.6	-22.1	-132.4	-173.2	-173.2	-157.2	3.8	108.7
128	C	29.3	Very low	31.9	Very low	128 Å²	128	140.1 Å²	140.1	87%	0.865	80%	0.797	S	S	*	*			trans	89.7	152.1	173.5	-58.2	0	0	0	0	116.3
129	S	30.4	Very low	31.9	Very low	119 Å²	119	145.7 Å²	145.7	83%	0.832	80%	0.795	S	S	*	*			cis	-136.9	-162.3	24.8	58	0	0	0	0	117
130	S	30.4	Very low	32.1	Very low	103 Å²	103	149 Å²	149	72%	0.72	80%	0.798	S	S	*	*			trans	-65.5	154	-165.2	40.5	0	0	0	0	117.7
131	K	33.4	Very low	32.3	Very low	200 Å²	200	149.3 Å²	149.3	87%	0.87	79%	0.794	S	S	*	*				67.3	137.1	53.3	-79.8	-169.7	176.7	-177.9	0	114.3
132	P	38.7	Very low	32.4	Very low	127 Å²	127	146 Å²	146	83%	0.825	80%	0.797	S	S	*	*				-131.8	-165.4	52.3	17.8	8.6	0	0	0	114.8
133	R	29.5	Very low	32.4	Very low	236 Å²	236	144.6 Å²	144.6	89%	0.891	80%	0.803	S	S	*	*			cis	-148.1	-123.8	-44.2	-158.9	-162.5	172.1	-179.6	-2.6	112
134	P	41.1	Very low	33.2	Very low	104 Å²	104	142.1 Å²	142.1	68%	0.675	80%	0.801	S	S	*	*			trans	-140.5	-147.9	-145.9	54.5	-32.8	0	0	0	118.7
135	P	49.2	Very low	33.1	Very low	113 Å²	113	134 Å²	134	73%	0.734	79%	0.794	S	S	*	*				-130	-170.5	-124.7	40.2	-14.6	0	0	0	116.2
136	P	36.3	Very low	33.3	Very low	132 Å²	132	138.8 Å²	138.8	86%	0.857	80%	0.803	S	S	*	*				-134.9	-160.4	91.7	40.2	-26.5	0	0	0	111.9
137	G	27	Very low	33.6	Very low	68 Å²	68	139.4 Å²	139.4	70%	0.701	80%	0.799	S	S	*	*			cis	-169.8	-176.7	2.9	0	0	0	0	0	112.1
138	P	39.8	Very low	33.6	Very low	121 Å²	121	134.4 Å²	134.4	79%	0.786	80%	0.795	S	S	*	*			trans	-123.6	172.1	-164	42.1	-31.2	0	0	0	118.5
139	R	27.4	Very low	33.7	Very low	220 Å²	220	133.7 Å²	133.7	83%	0.83	79%	0.791	S	S	*	*			trans	87.8	151.2	167.7	-62.1	-166.9	-171.6	-152.8	3.3	117.2
140	D	29	Very low	33.7	Very low	138 Å²	138	134 Å²	134	74%	0.738	79%	0.788	S	S	*	*			cis	-138.2	179.7	5.9	-108.4	-39.2	0	0	0	112.8
141	V	35.7	Very low	33.6	Very low	132 Å²	132	134.5 Å²	134.5	80%	0.8	79%	0.789	S	S	*	*			trans	-122.3	138.1	-179.3	179.6	0	0	0	0	112.4
142	P	30.2	Very low	33.6	Very low	123 Å²	123	132.4 Å²	132.4	80%	0.799	79%	0.786	S	S	*	*			trans	-122	157.5	149.9	18.8	1.3	0	0	0	113.2
143	N	29.1	Very low	33.3	Very low	151 Å²	151	134 Å²	134	81%	0.807	79%	0.786	S	S	*	*			trans	-111	-169.8	179.6	-157.2	12.5	0	0	0	111
144	P	45.3	Very low	33.3	Very low	111 Å²	111	128.6 Å²	128.6	72%	0.721	78%	0.779	S	S	*	*	P	Polyproline II helix		-91.7	148.8	-110.1	34.5	-21.9	0	0	0	115.4
145	G	26.6	Very low	33	Very low	77 Å²	77	131.9 Å²	131.9	79%	0.794	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-97.8	157	169.5	0	0	0	0	0	113.6
146	L	31.2	Very low	32.4	Very low	168 Å²	168	137.9 Å²	137.9	88%	0.88	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-68.1	156.2	-175.5	-76.7	167.4	0	0	0	113.9	V148	L146-V148 PolarHBondContact O-N 3.34Å
147	P	34.4	Very low	32.4	Very low	115 Å²	115	137.3 Å²	137.3	75%	0.747	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-69.5	131.4	-171.9	27.5	-35.4	0	0	0	113	S149	P147-S149 PolarHBondContact O-N 2.89Å
148	V	31.5	Very low	33.2	Very low	137 Å²	137	135.8 Å²	135.8	83%	0.83	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-69.4	120.5	166	177.7	0	0	0	0	108.7	L146 V150	L146-V148 PolarHBondContact O-N 3.34Å; V148-V150 PolarHBondContact O-N 3.24Å
149	S	31.1	Very low	34	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	75%	0.753	S	S	*	*			trans	-58.2	108.8	177.7	-59.4	0	0	0	0	111.2	P147	P147-S149 PolarHBondContact O-N 2.89Å
150	V	31.2	Very low	35.4	Very low	125 Å²	125	127.6 Å²	127.6	76%	0.758	75%	0.745	S	S	*	*			trans	-58.4	130.1	167.5	-176.4	0	0	0	0	107.7	V148 I152	V148-V150 PolarHBondContact O-N 3.24Å; V150-I152 PolarHBondContact O-N 3.49Å
151	P	28.4	Very low	37.1	Very low	115 Å²	115	122.3 Å²	122.3	75%	0.747	72%	0.723	S	S	*	*			trans	-56.3	119.1	174.1	-24.5	34.1	0	0	0	109.2	L153	P151-L153 PolarHBondContact O-N 2.79Å
152	I	32.5	Very low	38.8	Very low	155 Å²	155	116.5 Å²	116.5	80%	0.795	69%	0.689	S	S	*	*			trans	-59.3	110.1	173.3	-65.2	175.9	0	0	0	106.1	V150 V154	V150-I152 PolarHBondContact O-N 3.49Å; I152-V154 VanDerWaalsContact C-N 3.25Å; I152-V154 PolarHBondContact O-N 3.26Å
153	L	32.4	Very low	41.2	Very low	161 Å²	161	117 Å²	117	84%	0.843	68%	0.675	S	S	*	*			trans	-68.4	90.1	179.2	-171.9	115.4	0	0	0	107.5	P151 Q155	P151-L153 PolarHBondContact O-N 2.79Å; L153-Q155 PolarHBondContact O-N 3.5Å
154	V	29.1	Very low	44	Very low	123 Å²	123	113.7 Å²	113.7	75%	0.745	65%	0.653	S	S	*	*			trans	-49.2	111.6	-175.3	176.6	0	0	0	0	108	I152 R156	I152-V154 VanDerWaalsContact C-N 3.25Å; I152-V154 PolarHBondContact O-N 3.26Å; V154-R156 PolarHBondContact O-N 3.14Å
155	Q	35.6	Very low	46.2	Very low	172 Å²	172	109 Å²	109	80%	0.804	62%	0.622	S	S	*	*			trans	-73.5	83.7	-170.8	-170	177	35.1	0	0	108.1	L153 D157	L153-Q155 PolarHBondContact O-N 3.5Å; Q155-D157 WeakPolarHBondContact O-CA 3.33Å; Q155-D157 PolarHBondContact O-N 2.74Å
156	R	35.7	Very low	49.4	Very low	239 Å²	239	109.4 Å²	109.4	90%	0.902	60%	0.6	S	S	*	*			trans	-42.3	106.7	-171.7	-152	179.5	-163.6	-179.9	5.2	109.5	V154 A158	V154-R156 PolarHBondContact O-N 3.14Å; R156-A158 PolarHBondContact O-N 3.09Å
157	D	37.2	Very low	52.3	Low	121 Å²	121	104.3 Å²	104.3	65%	0.647	58%	0.582	S	S	*	*			trans	-58.1	109.8	-163.5	-81.1	-69	0	0	0	110.3	Q155 A159 R163	Q155-D157 WeakPolarHBondContact O-CA 3.33Å; Q155-D157 PolarHBondContact O-N 2.74Å; D157-A159 PolarHBondContact O-N 3.28Å; D157-A159 VanDerWaalsContact O-N 3.14Å; D157-R163 IonicContact OD1-CZ 3.02Å; D157-R163 IonicContact OD1-NH1 2.72Å; D157-R163 IonicContact OD1-NH2 3.21Å; D157-R163 PolarHBondContact OD1-NH2 2.79Å
158	A	44.8	Very low	55.1	Low	36 Å²	36	99.2 Å²	99.2	30%	0.298	55%	0.548	S	S	.	.			trans	-55.8	123.7	176.1	0	0	0	0	0	108.8	R156 R163	R156-A158 PolarHBondContact O-N 3.09Å; A158-R163 WeakPolarHBondContact O-CG 3.45Å; A158-R163 PolarHBondContact O-NE 3.12Å; A158-R163 VanDerWaalsContact O-NE 3.07Å
159	A	54.8	Low	58.1	Low	65 Å²	65	93.4 Å²	93.4	54%	0.537	51%	0.512	S	S	.	.			trans	-49.5	147.2	-171.2	0	0	0	0	0	112.2	D157 G161 A162 R163	D157-A159 PolarHBondContact O-N 3.28Å; D157-A159 VanDerWaalsContact O-N 3.14Å; A159-G161 VanDerWaalsContact C-N 3.33Å; A159-G161 PolarHBondContact O-N 2.85Å; A159-G161 VanDerWaalsContact O-N 3.1Å; A159-A162 WeakPolarHBondContact O-CA 3.34Å; A159-A162 WeakPolarHBondContact O-CB 3.37Å; A159-A162 PolarHBondContact O-N 3.38Å; A159-R163 PolarHBondContact O-N 3.28Å
160	P	58.3	Low	60.9	Low	104 Å²	104	92.6 Å²	92.6	68%	0.675	50%	0.497	S	S	*	.	H	α-helix	trans	-48.5	-46.5	-168.6	-31.8	36.4	0	0	0	115	A162 R163 K164	P160-A162 VanDerWaalsContact C-N 3.32Å; P160-A162 PolarHBondContact O-N 2.74Å; P160-R163 WeakPolarHBondContact O-CB 3.44Å; P160-R163 PolarHBondContact O-N 3.17Å; P160-K164 PolarHBondContact O-N 3.49Å; P160-K164 VanDerWaalsContact O-N 3.08Å
161	G	64.2	Low	63.7	Low	26 Å²	26	92.6 Å²	92.6	27%	0.268	49%	0.486	S	S	.	.	H	α-helix	trans	-58.9	-36.5	175.5	0	0	0	0	0	114.2	A159 R163 K164 L165	A159-G161 VanDerWaalsContact C-N 3.33Å; A159-G161 PolarHBondContact O-N 2.85Å; A159-G161 VanDerWaalsContact O-N 3.1Å; G161-R163 VanDerWaalsContact C-N 3.3Å; G161-R163 PolarHBondContact O-N 3.25Å; G161-K164 WeakPolarHBondContact O-CB 3.5Å; G161-K164 PolarHBondContact O-N 3.01Å; G161-L165 WeakPolarHBondContact O-CG 3.48Å; G161-L165 PolarHBondContact O-N 3.31Å
162	A	71.7	Confident	66.6	Low	11 Å²	11	87.6 Å²	87.6	9%	0.091	45%	0.453	C	S	.	.	H	α-helix	trans	-68.8	-27.2	176	0	0	0	0	0	112.7	A159 P160 R166	A159-A162 WeakPolarHBondContact O-CA 3.34Å; A159-A162 WeakPolarHBondContact O-CB 3.37Å; A159-A162 PolarHBondContact O-N 3.38Å; P160-A162 VanDerWaalsContact C-N 3.32Å; P160-A162 PolarHBondContact O-N 2.74Å; A162-R166 WeakPolarHBondContact O-CG 2.83Å; A162-R166 PolarHBondContact O-N 2.92Å
163	R	79.1	Confident	69.2	Low	133 Å²	133	88 Å²	88	50%	0.502	45%	0.445	S	S	.	.	H	α-helix	trans	-71.3	-45.8	170.3	-64	-179.5	175.9	-162.5	-14.9	110.9	D157 A158 A159 P160 G161 L165 R166 A167	D157-R163 IonicContact OD1-CZ 3.02Å; D157-R163 IonicContact OD1-NH1 2.72Å; D157-R163 IonicContact OD1-NH2 3.21Å; D157-R163 PolarHBondContact OD1-NH2 2.79Å; A158-R163 WeakPolarHBondContact O-CG 3.45Å; A158-R163 PolarHBondContact O-NE 3.12Å; A158-R163 VanDerWaalsContact O-NE 3.07Å; A159-R163 PolarHBondContact O-N 3.28Å; P160-R163 WeakPolarHBondContact O-CB 3.44Å; P160-R163 PolarHBondContact O-N 3.17Å; G161-R163 VanDerWaalsContact C-N 3.3Å; G161-R163 PolarHBondContact O-N 3.25Å; R163-L165 PolarHBondContact O-N 3.18Å; R163-R166 PolarHBondContact O-N 3.08Å; R163-A167 PolarHBondContact O-N 3.07Å
164	K	87.8	Confident	71.7	Confident	81 Å²	81	82 Å²	82	35%	0.352	41%	0.413	S	S	.	.	H	α-helix	trans	-54.3	-49.7	175.3	-164.4	-178.5	-170.1	179.3	0	111.4	P160 G161 R166 A167 V168 E515	P160-K164 PolarHBondContact O-N 3.49Å; P160-K164 VanDerWaalsContact O-N 3.08Å; G161-K164 WeakPolarHBondContact O-CB 3.5Å; G161-K164 PolarHBondContact O-N 3.01Å; K164-R166 PolarHBondContact O-N 3.36Å; K164-A167 PolarHBondContact O-N 2.9Å; K164-V168 WeakPolarHBondContact O-CG2 3.3Å; K164-V168 PolarHBondContact O-N 3.06Å; K164-E515 WeakPolarHBondContact CE-O 3.32Å; K164-E515 PolarHBondContact NZ-O 3.39Å; K164-E515 IonicContact NZ-OE2 3.27Å
165	L	93.6	Very high	74.4	Confident	13 Å²	13	78.5 Å²	78.5	7%	0.068	40%	0.395	C	S	.	.	H	α-helix	trans	-64.5	-33.1	178.9	-65.9	172.7	0	0	0	113.6	G161 R163 L169 L412 L460 F464 F519	G161-L165 WeakPolarHBondContact O-CG 3.48Å; G161-L165 PolarHBondContact O-N 3.31Å; R163-L165 PolarHBondContact O-N 3.18Å; L165-L169 WeakPolarHBondContact O-CG 3.27Å; L165-L169 PolarHBondContact O-N 3.4Å; L165-L412 HydrophobicContact CB-CD1 4.18Å; L165-L412 HydrophobicContact CD2-CD1 4.14Å; L165-L412 HydrophobicContact CD2-CD2 4.06Å; L165-L460 HydrophobicContact CB-CD2 4.07Å; L165-F464 HydrophobicContact CD1-CB 4.36Å; L165-F464 HydrophobicContact CD1-CD1 3.74Å; L165-F464 HydrophobicContact CD1-CG 4.42Å; L165-F464 HydrophobicContact CD2-CD1 3.83Å; L165-F464 HydrophobicContact CD2-CE1 3.84Å; L165-F464 HydrophobicContact CG-CD1 4.46Å; L165-F519 HydrophobicContact CD2-CD2 4.16Å; L165-F519 HydrophobicContact CD2-CE2 3.73Å
166	R	93.1	Very high	76.7	Confident	86 Å²	86	77.7 Å²	77.7	33%	0.325	39%	0.39	S	S	.	.	H	α-helix	trans	-67.1	-43.8	171.7	-71.4	-179.6	-148.4	-69.6	-4.7	111.7	A162 R163 K164 V168 L169 E170 P457 K458 L460	A162-R166 WeakPolarHBondContact O-CG 2.83Å; A162-R166 PolarHBondContact O-N 2.92Å; R163-R166 PolarHBondContact O-N 3.08Å; K164-R166 PolarHBondContact O-N 3.36Å; R166-V168 VanDerWaalsContact C-N 3.27Å; R166-V168 PolarHBondContact O-N 3.38Å; R166-L169 WeakPolarHBondContact O-CB 3.3Å; R166-L169 PolarHBondContact O-N 2.9Å; R166-L169 VanDerWaalsContact O-N 3.09Å; R166-E170 WeakPolarHBondContact O-CG 3.29Å; R166-E170 PolarHBondContact O-N 3.38Å; R166-P457 VanDerWaalsContact CZ-O 3.24Å; R166-P457 PolarHBondContact NH1-O 3.37Å; R166-P457 PolarHBondContact NH2-O 3.07Å; R166-K458 PolarHBondContact NH2-O 3.4Å; R166-K458 VanDerWaalsContact NH2-O 3.13Å; R166-L460 HydrophobicContact CG-CD2 3.77Å
167	A	91.9	Very high	79.2	Confident	60 Å²	60	72.8 Å²	72.8	50%	0.496	38%	0.378	S	S	.	.	H	α-helix	trans	-60.3	-38.1	176.4	0	0	0	0	0	112	R163 K164 E170 K171	R163-A167 PolarHBondContact O-N 3.07Å; K164-A167 PolarHBondContact O-N 2.9Å; A167-E170 PolarHBondContact O-N 3.5Å; A167-K171 PolarHBondContact O-N 3.41Å
168	V	93.6	Very high	81.6	Confident	8 Å²	8	69.9 Å²	69.9	5%	0.048	36%	0.362	C	S	.	.	H	α-helix	trans	-62.6	-47.2	171	176.9	0	0	0	0	111.3	K164 R166 E170 K171 L172 L412 Y415 F519	K164-V168 WeakPolarHBondContact O-CG2 3.3Å; K164-V168 PolarHBondContact O-N 3.06Å; R166-V168 VanDerWaalsContact C-N 3.27Å; R166-V168 PolarHBondContact O-N 3.38Å; V168-E170 VanDerWaalsContact C-N 3.25Å; V168-E170 PolarHBondContact O-N 3.01Å; V168-K171 WeakPolarHBondContact O-CB 3.5Å; V168-K171 PolarHBondContact O-N 2.7Å; V168-K171 VanDerWaalsContact O-N 3.14Å; V168-L172 HydrophobicContact CG1-CD1 4.05Å; V168-L172 HydrophobicContact CG1-CG 4.35Å; V168-L172 VanDerWaalsContact O-CG 3.3Å; V168-L172 WeakPolarHBondContact O-CG 3.41Å; V168-L172 PolarHBondContact O-N 2.73Å; V168-L412 HydrophobicContact CB-CD2 4.14Å; V168-L412 HydrophobicContact CG1-CD2 3.71Å; V168-Y415 HydrophobicContact CG1-CD1 3.72Å; V168-Y415 HydrophobicContact CG1-CE1 3.71Å; V168-F519 HydrophobicContact CG1-CD2 4.45Å; V168-F519 HydrophobicContact CG1-CG 4.3Å; V168-F519 HydrophobicContact CG2-CB 3.73Å; V168-F519 HydrophobicContact CG2-CD2 4.1Å; V168-F519 HydrophobicContact CG2-CG 4.13Å
169	L	93.3	Very high	83.6	Confident	15 Å²	15	69.9 Å²	69.9	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-31.6	176.9	-74.9	162.4	0	0	0	113.7	L165 R166 L172 R173 D408 K411 L412 L460	L165-L169 WeakPolarHBondContact O-CG 3.27Å; L165-L169 PolarHBondContact O-N 3.4Å; R166-L169 WeakPolarHBondContact O-CB 3.3Å; R166-L169 PolarHBondContact O-N 2.9Å; R166-L169 VanDerWaalsContact O-N 3.09Å; L169-L172 PolarHBondContact O-N 2.94Å; L169-R173 WeakPolarHBondContact O-CG 3.23Å; L169-R173 PolarHBondContact O-N 3.42Å; L169-D408 HydrophobicContact CD1-CB 3.72Å; L169-D408 HydrophobicContact CD2-CB 3.69Å; L169-D408 HydrophobicContact CG-CB 4.38Å; L169-K411 HydrophobicContact CD2-CB 4.15Å; L169-K411 HydrophobicContact CD2-CD 4.21Å; L169-L412 HydrophobicContact CD1-CD1 4.11Å; L169-L412 HydrophobicContact CD2-CD1 4.44Å; L169-L412 HydrophobicContact CD2-CD2 4.43Å; L169-L412 HydrophobicContact CD2-CG 4.02Å; L169-L412 HydrophobicContact CG-CD1 4.22Å; L169-L412 HydrophobicContact CG-CD2 4.18Å; L169-L412 HydrophobicContact CG-CG 4.1Å; L169-L460 HydrophobicContact CD1-CD1 4.1Å; L169-L460 HydrophobicContact CD1-CD2 3.63Å
170	E	91.3	Very high	85.2	Confident	96 Å²	96	70 Å²	70	45%	0.449	35%	0.354	S	S	.	.	H	α-helix	trans	-70.5	-44.2	172.2	-64.5	-61.1	157	0	0	111.5	R166 A167 V168 L172 R173	R166-E170 WeakPolarHBondContact O-CG 3.29Å; R166-E170 PolarHBondContact O-N 3.38Å; A167-E170 PolarHBondContact O-N 3.5Å; V168-E170 VanDerWaalsContact C-N 3.25Å; V168-E170 PolarHBondContact O-N 3.01Å; E170-L172 PolarHBondContact O-N 2.91Å; E170-R173 WeakPolarHBondContact O-CB 3.28Å; E170-R173 PolarHBondContact O-N 3.23Å; E170-R173 IonicContact OE1-CZ 2.78Å; E170-R173 IonicContact OE1-NE 3.97Å; E170-R173 IonicContact OE1-NH1 2.66Å; E170-R173 PolarHBondContact OE1-NH1 3.21Å; E170-R173 IonicContact OE1-NH2 2.69Å; E170-R173 PolarHBondContact OE1-NH2 3.24Å; E170-R173 WeakPolarHBondContact OE2-CD 3.4Å; E170-R173 IonicContact OE2-CZ 3.47Å; E170-R173 IonicContact OE2-NE 3.42Å; E170-R173 PolarHBondContact OE2-NE 3.39Å; E170-R173 IonicContact OE2-NH1 3.91Å; E170-R173 PolarHBondContact OE2-NH1 3.18Å; E170-R173 IonicContact OE2-NH2 2.75Å
171	K	89.8	Confident	86.8	Confident	124 Å²	124	70.6 Å²	70.6	54%	0.539	35%	0.346	S	S	.	.	H	α-helix	trans	-53.7	-39.6	169.6	-78.9	-173	168.7	-168.6	0	111.8	A167 V168 R173 F522	A167-K171 PolarHBondContact O-N 3.41Å; V168-K171 WeakPolarHBondContact O-CB 3.5Å; V168-K171 PolarHBondContact O-N 2.7Å; V168-K171 VanDerWaalsContact O-N 3.14Å; K171-R173 PolarHBondContact O-N 3.11Å; K171-F522 PolarHBondContact NZ-O 2.98Å
172	L	89.2	Confident	88.1	Confident	10 Å²	10	69.8 Å²	69.8	5%	0.052	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	2.1	-179.5	-61	177.4	0	0	0	114.1	V168 L169 E170 L174 I220 Y415	V168-L172 HydrophobicContact CG1-CD1 4.05Å; V168-L172 HydrophobicContact CG1-CG 4.35Å; V168-L172 VanDerWaalsContact O-CG 3.3Å; V168-L172 WeakPolarHBondContact O-CG 3.41Å; V168-L172 PolarHBondContact O-N 2.73Å; L169-L172 PolarHBondContact O-N 2.94Å; E170-L172 PolarHBondContact O-N 2.91Å; L172-L174 PolarHBondContact O-N 3.03Å; L172-I220 HydrophobicContact CD1-CG2 4.29Å; L172-I220 HydrophobicContact CD2-CB 4.3Å; L172-Y415 HydrophobicContact CD1-CD1 3.9Å; L172-Y415 HydrophobicContact CD1-CD2 4.4Å; L172-Y415 HydrophobicContact CD1-CG 3.8Å; L172-Y415 HydrophobicContact CD2-CD1 4.16Å; L172-Y415 HydrophobicContact CD2-CD2 3.6Å; L172-Y415 HydrophobicContact CD2-CE1 4.24Å; L172-Y415 HydrophobicContact CD2-CE2 3.71Å; L172-Y415 HydrophobicContact CD2-CG 3.85Å; L172-Y415 HydrophobicContact CG-CD1 4.44Å; L172-Y415 HydrophobicContact CG-CG 4.4Å
173	R	86.7	Confident	89	Confident	164 Å²	164	69.7 Å²	69.7	62%	0.619	34%	0.336	S	S	*	.			trans	-77.9	105.9	173.2	-72.7	-165.7	179.7	145.9	15.6	110.9	L169 E170 K171 S175	L169-R173 WeakPolarHBondContact O-CG 3.23Å; L169-R173 PolarHBondContact O-N 3.42Å; E170-R173 WeakPolarHBondContact O-CB 3.28Å; E170-R173 PolarHBondContact O-N 3.23Å; E170-R173 IonicContact OE1-CZ 2.78Å; E170-R173 IonicContact OE1-NE 3.97Å; E170-R173 IonicContact OE1-NH1 2.66Å; E170-R173 PolarHBondContact OE1-NH1 3.21Å; E170-R173 IonicContact OE1-NH2 2.69Å; E170-R173 PolarHBondContact OE1-NH2 3.24Å; E170-R173 WeakPolarHBondContact OE2-CD 3.4Å; E170-R173 IonicContact OE2-CZ 3.47Å; E170-R173 IonicContact OE2-NE 3.42Å; E170-R173 PolarHBondContact OE2-NE 3.39Å; E170-R173 IonicContact OE2-NH1 3.91Å; E170-R173 PolarHBondContact OE2-NH1 3.18Å; E170-R173 IonicContact OE2-NH2 2.75Å; K171-R173 PolarHBondContact O-N 3.11Å; R173-S175 PolarHBondContact O-N 3.43Å
174	L	84.3	Confident	89.7	Confident	34 Å²	34	71.4 Å²	71.4	18%	0.178	35%	0.347	C	S	.	.			trans	-58.9	129.5	169.5	-52.3	-177.2	0	0	0	110.8	L172 H176 I179 K219 S221 P223	L172-L174 PolarHBondContact O-N 3.03Å; L174-H176 PolarHBondContact O-N 2.92Å; L174-I179 HydrophobicContact CB-CD1 3.56Å; L174-I179 HydrophobicContact CB-CG1 3.91Å; L174-I179 HydrophobicContact CD1-CD1 4.27Å; L174-I179 HydrophobicContact CD1-CG1 4.3Å; L174-K219 HydrophobicContact CD1-CB 4.11Å; L174-K219 HydrophobicContact CD1-CG 3.79Å; L174-S221 WeakPolarHBondContact CD2-O 3.42Å; L174-P223 HydrophobicContact CD1-CB 4.48Å
175	S	85.9	Confident	90	Very high	51 Å²	51	69.6 Å²	69.6	36%	0.357	34%	0.343	S	S	.	.			trans	-58	131.5	172	158.7	0	0	0	0	111.3	R173 Q177 D178 I179	R173-S175 PolarHBondContact O-N 3.43Å; S175-Q177 VanDerWaalsContact C-N 3.25Å; S175-Q177 PolarHBondContact O-N 3.11Å; S175-Q177 PolarHBondContact OG-N 3.07Å; S175-D178 WeakPolarHBondContact CB-OD2 3.47Å; S175-D178 PolarHBondContact O-N 2.69Å; S175-D178 PolarHBondContact OG-N 2.96Å; S175-D178 PolarHBondContact OG-OD2 2.85Å; S175-I179 WeakPolarHBondContact O-CB 3.46Å; S175-I179 WeakPolarHBondContact O-CG1 3.42Å; S175-I179 PolarHBondContact O-N 3.21Å
176	H	85	Confident	90	Very high	154 Å²	154	69.1 Å²	69.1	71%	0.713	34%	0.34	S	S	*	.	H	α-helix	trans	-62.9	-33.1	177.1	-176.1	-88.6	0	0	0	112.2	L174 S180	L174-H176 PolarHBondContact O-N 2.92Å; H176-S180 VanDerWaalsContact O-CB 3.27Å; H176-S180 WeakPolarHBondContact O-CB 3.38Å; H176-S180 PolarHBondContact O-N 2.97Å
177	Q	87.7	Confident	90.1	Very high	136 Å²	136	68.9 Å²	68.9	64%	0.636	35%	0.345	S	S	*	.	H	α-helix	trans	-66.6	-42	176.7	-63.3	-172.7	4.9	0	0	110.9	S175 S180 K181	S175-Q177 VanDerWaalsContact C-N 3.25Å; S175-Q177 PolarHBondContact O-N 3.11Å; S175-Q177 PolarHBondContact OG-N 3.07Å; Q177-S180 WeakPolarHBondContact O-CB 2.81Å; Q177-S180 PolarHBondContact O-N 2.92Å; Q177-K181 VanDerWaalsContact O-CG 3.29Å; Q177-K181 WeakPolarHBondContact O-CG 3.29Å; Q177-K181 PolarHBondContact O-N 3.33Å
178	D	87.5	Confident	90.2	Very high	61 Å²	61	67.7 Å²	67.7	33%	0.326	34%	0.339	S	S	.	.	H	α-helix	trans	-81.1	-32.2	-174.6	-54.4	-55.3	0	0	0	111.9	S175 S180 K181 A182 P223	S175-D178 WeakPolarHBondContact CB-OD2 3.47Å; S175-D178 PolarHBondContact O-N 2.69Å; S175-D178 PolarHBondContact OG-N 2.96Å; S175-D178 PolarHBondContact OG-OD2 2.85Å; D178-S180 VanDerWaalsContact C-N 3.32Å; D178-K181 WeakPolarHBondContact OD1-CE 3.14Å; D178-K181 IonicContact OD1-NZ 2.7Å; D178-K181 PolarHBondContact OD1-NZ 3.36Å; D178-A182 VanDerWaalsContact O-CB 3.26Å; D178-A182 WeakPolarHBondContact O-CB 3.21Å; D178-A182 PolarHBondContact O-N 2.79Å; D178-P223 HydrophobicContact CB-CG 4.25Å
179	I	86.8	Confident	90.3	Very high	35 Å²	35	67.5 Å²	67.5	18%	0.179	34%	0.338	C	S	.	.	H	α-helix	trans	-52.7	-51.3	159.4	-77.6	163.8	0	0	0	110.5	L174 S175 A182 A183 Y214 P223	L174-I179 HydrophobicContact CB-CD1 3.56Å; L174-I179 HydrophobicContact CB-CG1 3.91Å; L174-I179 HydrophobicContact CD1-CD1 4.27Å; L174-I179 HydrophobicContact CD1-CG1 4.3Å; S175-I179 WeakPolarHBondContact O-CB 3.46Å; S175-I179 WeakPolarHBondContact O-CG1 3.42Å; S175-I179 PolarHBondContact O-N 3.21Å; I179-A182 PolarHBondContact O-N 2.9Å; I179-A183 WeakPolarHBondContact O-CB 3.34Å; I179-A183 PolarHBondContact O-N 3.38Å; I179-Y214 HydrophobicContact CG2-CE2 3.8Å; I179-Y214 WeakPolarHBondContact CG2-OH 3.4Å; I179-P223 HydrophobicContact CG1-CB 4.24Å
180	S	89.3	Confident	90.4	Very high	68 Å²	68	66.8 Å²	66.8	48%	0.476	33%	0.334	S	S	.	.	H	α-helix	trans	-65	-43.1	-175	-174.2	0	0	0	0	112.2	H176 Q177 D178 K184	H176-S180 VanDerWaalsContact O-CB 3.27Å; H176-S180 WeakPolarHBondContact O-CB 3.38Å; H176-S180 PolarHBondContact O-N 2.97Å; Q177-S180 WeakPolarHBondContact O-CB 2.81Å; Q177-S180 PolarHBondContact O-N 2.92Å; D178-S180 VanDerWaalsContact C-N 3.32Å; S180-K184 VanDerWaalsContact O-CB 3.3Å; S180-K184 WeakPolarHBondContact O-CB 3.48Å; S180-K184 PolarHBondContact O-N 2.79Å
181	K	90.9	Very high	90.6	Very high	116 Å²	116	64 Å²	64	50%	0.504	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-56.6	173.2	-67.7	165.8	-161.4	166.2	0	111.1	Q177 D178 A183 K184 V185	Q177-K181 VanDerWaalsContact O-CG 3.29Å; Q177-K181 WeakPolarHBondContact O-CG 3.29Å; Q177-K181 PolarHBondContact O-N 3.33Å; D178-K181 WeakPolarHBondContact OD1-CE 3.14Å; D178-K181 IonicContact OD1-NZ 2.7Å; D178-K181 PolarHBondContact OD1-NZ 3.36Å; K181-A183 PolarHBondContact O-N 3.22Å; K181-K184 PolarHBondContact O-N 3.31Å; K181-V185 PolarHBondContact O-N 3.25Å; K181-V185 VanDerWaalsContact O-N 3.17Å
182	A	91.6	Very high	90.9	Very high	9 Å²	9	63 Å²	63	7%	0.074	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-46.2	-176.8	0	0	0	0	0	111.9	D178 I179 K184 V185 V186 P223 F226 I316	D178-A182 VanDerWaalsContact O-CB 3.26Å; D178-A182 WeakPolarHBondContact O-CB 3.21Å; D178-A182 PolarHBondContact O-N 2.79Å; I179-A182 PolarHBondContact O-N 2.9Å; A182-K184 VanDerWaalsContact C-N 3.33Å; A182-K184 PolarHBondContact O-N 2.98Å; A182-V185 PolarHBondContact O-N 3.49Å; A182-V186 WeakPolarHBondContact O-CB 3.46Å; A182-V186 VanDerWaalsContact O-CG2 3.31Å; A182-V186 WeakPolarHBondContact O-CG2 3.48Å; A182-V186 PolarHBondContact O-N 3.19Å; A182-P223 HydrophobicContact CB-CB 4.25Å; A182-P223 WeakPolarHBondContact CB-O 3.26Å; A182-F226 HydrophobicContact CB-CE2 4.02Å; A182-F226 HydrophobicContact CB-CZ 3.87Å; A182-I316 HydrophobicContact CB-CD1 3.84Å
183	A	91.3	Very high	91.3	Very high	10 Å²	10	62.6 Å²	62.6	8%	0.083	33%	0.326	C	S	.	.	H	α-helix	trans	-64.5	-34	177.7	0	0	0	0	0	112.7	I179 K181 N187	I179-A183 WeakPolarHBondContact O-CB 3.34Å; I179-A183 PolarHBondContact O-N 3.38Å; K181-A183 PolarHBondContact O-N 3.22Å; A183-N187 WeakPolarHBondContact O-CB 3.31Å; A183-N187 PolarHBondContact O-N 3.41Å; A183-N187 PolarHBondContact O-ND2 2.92Å; A183-N187 VanDerWaalsContact O-ND2 3.17Å
184	K	93.3	Very high	91.8	Very high	168 Å²	168	56.4 Å²	56.4	73%	0.73	31%	0.305	S	S	*	.	H	α-helix	trans	-63.2	-47.1	174.1	-174.9	-177.4	178.2	-173.4	0	111.3	S180 K181 A182 G188	S180-K184 VanDerWaalsContact O-CB 3.3Å; S180-K184 WeakPolarHBondContact O-CB 3.48Å; S180-K184 PolarHBondContact O-N 2.79Å; K181-K184 PolarHBondContact O-N 3.31Å; A182-K184 VanDerWaalsContact C-N 3.33Å; A182-K184 PolarHBondContact O-N 2.98Å; K184-G188 PolarHBondContact O-N 3.45Å; K184-G188 VanDerWaalsContact O-N 3.08Å
185	V	93.8	Very high	92.4	Very high	44 Å²	44	61.2 Å²	61.2	27%	0.267	33%	0.326	S	S	.	.	H	α-helix	trans	-63.2	-48.5	178.1	174.4	0	0	0	0	110.9	K181 A182 G188 V189 T294 I312	K181-V185 PolarHBondContact O-N 3.25Å; K181-V185 VanDerWaalsContact O-N 3.17Å; A182-V185 PolarHBondContact O-N 3.49Å; V185-G188 PolarHBondContact O-N 2.94Å; V185-V189 PolarHBondContact O-N 3.02Å; V185-T294 HydrophobicContact CG1-CG2 4.26Å; V185-I312 HydrophobicContact CG1-CG2 3.56Å
186	V	94.1	Very high	92.9	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-45.7	179.1	172.2	0	0	0	0	111.6	A182 G188 V189 V190 F226 I312 I316 V318	A182-V186 WeakPolarHBondContact O-CB 3.46Å; A182-V186 VanDerWaalsContact O-CG2 3.31Å; A182-V186 WeakPolarHBondContact O-CG2 3.48Å; A182-V186 PolarHBondContact O-N 3.19Å; V186-G188 VanDerWaalsContact C-N 3.28Å; V186-G188 PolarHBondContact O-N 2.99Å; V186-V189 PolarHBondContact O-N 3.03Å; V186-V190 HydrophobicContact CG1-CG2 3.97Å; V186-V190 VanDerWaalsContact O-CB 3.24Å; V186-V190 WeakPolarHBondContact O-CB 3.44Å; V186-V190 WeakPolarHBondContact O-CG2 3.48Å; V186-V190 PolarHBondContact O-N 3.16Å; V186-F226 HydrophobicContact CG1-CB 4.4Å; V186-F226 HydrophobicContact CG1-CG 4.3Å; V186-F226 HydrophobicContact CG2-CD2 3.7Å; V186-F226 HydrophobicContact CG2-CE2 3.8Å; V186-F226 HydrophobicContact CG2-CG 4.27Å; V186-F226 HydrophobicContact CG2-CZ 4.44Å; V186-I312 HydrophobicContact CG2-CD1 4.27Å; V186-I316 HydrophobicContact CG2-CG2 3.76Å; V186-V318 HydrophobicContact CG1-CG1 4.42Å; V186-V318 HydrophobicContact CG1-CG2 4.15Å; V186-V318 HydrophobicContact CG2-CG2 3.88Å
187	N	94.5	Very high	93.5	Very high	80 Å²	80	54.1 Å²	54.1	43%	0.428	29%	0.285	S	S	.	.	H	α-helix	trans	-64.6	-31.2	178.4	-72	-21.6	0	0	0	112.6	A183 G191	A183-N187 WeakPolarHBondContact O-CB 3.31Å; A183-N187 PolarHBondContact O-N 3.41Å; A183-N187 PolarHBondContact O-ND2 2.92Å; A183-N187 VanDerWaalsContact O-ND2 3.17Å; N187-G191 PolarHBondContact O-N 3.36Å
188	G	94.6	Very high	93.9	Very high	35 Å²	35	52.3 Å²	52.3	36%	0.361	28%	0.275	S	S	.	.	H	α-helix	trans	-61.1	-60.1	171.6	0	0	0	0	0	111.5	K184 V185 V186 V190 G191 H192	K184-G188 PolarHBondContact O-N 3.45Å; K184-G188 VanDerWaalsContact O-N 3.08Å; V185-G188 PolarHBondContact O-N 2.94Å; V186-G188 VanDerWaalsContact C-N 3.28Å; V186-G188 PolarHBondContact O-N 2.99Å; G188-V190 VanDerWaalsContact C-N 3.35Å; G188-V190 PolarHBondContact O-N 2.92Å; G188-G191 WeakPolarHBondContact O-CA 3.5Å; G188-G191 PolarHBondContact O-N 2.84Å; G188-H192 PolarHBondContact O-CD2 2.9Å; G188-H192 VanDerWaalsContact O-CD2 3.26Å; G188-H192 PolarHBondContact O-N 3.32Å; G188-H192 VanDerWaalsContact O-N 3.07Å
189	V	95.7	Very high	94.3	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-57.9	-45.2	179.3	175	0	0	0	0	111.7	V185 V186 G191 H192 L193 I291 T294 V296 L310 I312	V185-V189 PolarHBondContact O-N 3.02Å; V186-V189 PolarHBondContact O-N 3.03Å; V189-G191 VanDerWaalsContact C-N 3.3Å; V189-G191 PolarHBondContact O-N 3.17Å; V189-H192 PolarHBondContact O-N 3.4Å; V189-L193 HydrophobicContact CG1-CD1 3.97Å; V189-L193 HydrophobicContact CG1-CG 4.49Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.36Å; V189-L193 PolarHBondContact O-N 2.98Å; V189-I291 HydrophobicContact CG1-CD1 4Å; V189-T294 HydrophobicContact CG2-CG2 3.95Å; V189-V296 HydrophobicContact CG1-CG1 4.26Å; V189-V296 HydrophobicContact CG1-CG2 4.2Å; V189-V296 HydrophobicContact CG2-CG2 3.83Å; V189-L310 HydrophobicContact CG1-CD1 4.26Å; V189-I312 HydrophobicContact CB-CD1 4.01Å; V189-I312 HydrophobicContact CG1-CD1 4.08Å; V189-I312 HydrophobicContact CG2-CD1 4Å; V189-I312 HydrophobicContact CG2-CG2 4.48Å
190	V	95.8	Very high	94.7	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-35.2	177.2	171.1	0	0	0	0	111.7	V186 G188 L194 V228 F230	V186-V190 HydrophobicContact CG1-CG2 3.97Å; V186-V190 VanDerWaalsContact O-CB 3.24Å; V186-V190 WeakPolarHBondContact O-CB 3.44Å; V186-V190 WeakPolarHBondContact O-CG2 3.48Å; V186-V190 PolarHBondContact O-N 3.16Å; G188-V190 VanDerWaalsContact C-N 3.35Å; G188-V190 PolarHBondContact O-N 2.92Å; V190-L194 VanDerWaalsContact O-CB 3.23Å; V190-L194 WeakPolarHBondContact O-CB 3.27Å; V190-L194 PolarHBondContact O-N 2.97Å; V190-V228 HydrophobicContact CG1-CG1 4.02Å; V190-V228 HydrophobicContact CG2-CG1 4.29Å; V190-V228 HydrophobicContact CG2-CG2 4.05Å; V190-F230 HydrophobicContact CG1-CE1 3.72Å; V190-F230 HydrophobicContact CG1-CZ 3.82Å
191	G	95.9	Very high	94.9	Very high	36 Å²	36	53.6 Å²	53.6	37%	0.371	29%	0.287	S	S	.	.	H	α-helix	trans	-64.6	-46.6	175.4	0	0	0	0	0	113.1	N187 G188 V189 L194 H195	N187-G191 PolarHBondContact O-N 3.36Å; G188-G191 WeakPolarHBondContact O-CA 3.5Å; G188-G191 PolarHBondContact O-N 2.84Å; V189-G191 VanDerWaalsContact C-N 3.3Å; V189-G191 PolarHBondContact O-N 3.17Å; G191-L194 PolarHBondContact O-N 2.87Å; G191-H195 WeakPolarHBondContact O-CB 3.42Å; G191-H195 PolarHBondContact O-N 2.86Å
192	H	95.4	Very high	95	Very high	104 Å²	104	49 Å²	49	48%	0.481	27%	0.267	S	S	.	.	H	α-helix	trans	-59.1	-49.9	173.9	-77.2	-81.2	0	0	0	111.5	G188 V189 L194 H195 R196 I291	G188-H192 PolarHBondContact O-CD2 2.9Å; G188-H192 VanDerWaalsContact O-CD2 3.26Å; G188-H192 PolarHBondContact O-N 3.32Å; G188-H192 VanDerWaalsContact O-N 3.07Å; V189-H192 PolarHBondContact O-N 3.4Å; H192-L194 PolarHBondContact O-N 2.82Å; H192-H195 PolarHBondContact O-N 3.02Å; H192-R196 PolarHBondContact O-N 2.85Å; H192-I291 HydrophobicContact CB-CD1 4.11Å; H192-I291 HydrophobicContact CB-CG1 4.3Å
193	L	97.2	Very high	95.3	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-41.7	179.2	-65.2	173.3	0	0	0	112.3	V189 R196 L197 F230 I284 E287 I288 L310 I320	V189-L193 HydrophobicContact CG1-CD1 3.97Å; V189-L193 HydrophobicContact CG1-CG 4.49Å; V189-L193 VanDerWaalsContact O-CG 3.29Å; V189-L193 WeakPolarHBondContact O-CG 3.36Å; V189-L193 PolarHBondContact O-N 2.98Å; L193-R196 PolarHBondContact O-N 3.13Å; L193-L197 WeakPolarHBondContact O-CB 3.13Å; L193-L197 WeakPolarHBondContact O-CD1 3.17Å; L193-L197 VanDerWaalsContact O-CG 3.28Å; L193-L197 WeakPolarHBondContact O-CG 3.17Å; L193-L197 PolarHBondContact O-N 3.45Å; L193-F230 HydrophobicContact CB-CE2 4.43Å; L193-I284 HydrophobicContact CD1-CG2 4.39Å; L193-I284 HydrophobicContact CD2-CB 4.42Å; L193-I284 HydrophobicContact CD2-CG1 4.33Å; L193-I284 HydrophobicContact CD2-CG2 4.08Å; L193-E287 HydrophobicContact CD2-CB 3.83Å; L193-E287 HydrophobicContact CD2-CG 3.82Å; L193-I288 HydrophobicContact CD2-CG2 4.22Å; L193-L310 HydrophobicContact CD1-CD1 3.68Å; L193-I320 HydrophobicContact CD1-CD1 3.49Å; L193-I320 VanDerWaalsContact CD1-CD1 3.49Å
194	L	97.2	Very high	95.4	Very high	34 Å²	34	54.9 Å²	54.9	18%	0.178	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-42.5	176.5	-173.6	72.8	0	0	0	111.4	V190 G191 H192 K198 V206 Q208 F230	V190-L194 VanDerWaalsContact O-CB 3.23Å; V190-L194 WeakPolarHBondContact O-CB 3.27Å; V190-L194 PolarHBondContact O-N 2.97Å; G191-L194 PolarHBondContact O-N 2.87Å; H192-L194 PolarHBondContact O-N 2.82Å; L194-K198 WeakPolarHBondContact O-CG 3.24Å; L194-K198 PolarHBondContact O-N 3.21Å; L194-V206 HydrophobicContact CD1-CG1 3.82Å; L194-V206 HydrophobicContact CD1-CG2 4.36Å; L194-Q208 HydrophobicContact CD2-CB 4.43Å; L194-F230 HydrophobicContact CB-CE1 4.23Å; L194-F230 HydrophobicContact CB-CZ 3.9Å; L194-F230 HydrophobicContact CD1-CD1 3.97Å; L194-F230 HydrophobicContact CD1-CE1 3.77Å; L194-F230 HydrophobicContact CD1-CE2 4.48Å; L194-F230 HydrophobicContact CD1-CG 4.4Å; L194-F230 HydrophobicContact CD1-CZ 4.04Å
195	H	96.6	Very high	95.5	Very high	134 Å²	134	49.1 Å²	49.1	62%	0.62	28%	0.28	S	S	*	.	H	α-helix	trans	-61.9	-49.9	175.8	-178.8	-82.3	0	0	0	111.4	G191 H192 L197 K198 C199	G191-H195 WeakPolarHBondContact O-CB 3.42Å; G191-H195 PolarHBondContact O-N 2.86Å; H192-H195 PolarHBondContact O-N 3.02Å; H195-L197 VanDerWaalsContact C-N 3.33Å; H195-L197 PolarHBondContact O-N 3.24Å; H195-K198 WeakPolarHBondContact O-CB 3.44Å; H195-K198 PolarHBondContact O-N 3.15Å; H195-K198 VanDerWaalsContact O-N 3.11Å; H195-C199 PolarHBondContact O-SG 3.14Å
196	R	96.8	Very high	95.6	Very high	56 Å²	56	47 Å²	47	21%	0.211	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-38	-179.5	178.1	66.2	-172	86.2	1.1	113	H192 L193 K198 C199 E200 I283 E287	H192-R196 PolarHBondContact O-N 2.85Å; L193-R196 PolarHBondContact O-N 3.13Å; R196-K198 VanDerWaalsContact C-N 3.32Å; R196-C199 WeakPolarHBondContact O-CB 3.11Å; R196-C199 PolarHBondContact O-N 3.04Å; R196-E200 IonicContact CZ-OE1 3.98Å; R196-E200 IonicContact NH1-OE1 2.74Å; R196-E200 PolarHBondContact NH1-OE1 3.03Å; R196-E200 IonicContact NH2-OE1 2.75Å; R196-E200 PolarHBondContact NH2-OE1 3Å; R196-I283 HydrophobicContact CG-CG2 4.14Å; R196-E287 HydrophobicContact CB-CB 4.3Å; R196-E287 HydrophobicContact CB-CG 3.68Å; R196-E287 WeakPolarHBondContact CD-OE2 3.39Å; R196-E287 HydrophobicContact CG-CB 3.92Å; R196-E287 HydrophobicContact CG-CG 3.8Å; R196-E287 WeakPolarHBondContact CG-OE2 3.21Å; R196-E287 IonicContact NE-OE2 2.72Å
197	L	97.1	Very high	95.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-36.8	174.6	-77.9	163.3	0	0	0	111.9	L193 H195 C199 E200 F203 V206 F230 F280 I283	L193-L197 WeakPolarHBondContact O-CB 3.13Å; L193-L197 WeakPolarHBondContact O-CD1 3.17Å; L193-L197 VanDerWaalsContact O-CG 3.28Å; L193-L197 WeakPolarHBondContact O-CG 3.17Å; L193-L197 PolarHBondContact O-N 3.45Å; H195-L197 VanDerWaalsContact C-N 3.33Å; H195-L197 PolarHBondContact O-N 3.24Å; L197-C199 PolarHBondContact O-N 3.3Å; L197-E200 PolarHBondContact O-N 2.69Å; L197-F203 HydrophobicContact CB-CB 4.3Å; L197-F203 HydrophobicContact CD2-CB 4.32Å; L197-F203 HydrophobicContact CD2-CD2 4.32Å; L197-F203 HydrophobicContact CD2-CG 4.15Å; L197-F203 WeakPolarHBondContact O-CB 3.4Å; L197-V206 HydrophobicContact CB-CG1 3.98Å; L197-F230 HydrophobicContact CD1-CD2 3.52Å; L197-F230 HydrophobicContact CD1-CE2 3.48Å; L197-F230 VanDerWaalsContact CD1-CE2 3.48Å; L197-F280 HydrophobicContact CD1-CD2 4.32Å; L197-F280 HydrophobicContact CD1-CE2 3.69Å; L197-F280 HydrophobicContact CD1-CZ 4.47Å; L197-F280 HydrophobicContact CD2-CD2 3.85Å; L197-F280 HydrophobicContact CD2-CE2 4.07Å; L197-I283 HydrophobicContact CD2-CB 4.15Å; L197-I283 HydrophobicContact CD2-CD1 4.08Å; L197-I283 HydrophobicContact CD2-CG2 3.82Å; L197-I283 HydrophobicContact CG-CG2 4.29Å
198	K	96.9	Very high	95.9	Very high	97 Å²	97	50 Å²	50	42%	0.422	28%	0.278	S	S	.	.	H	α-helix	trans	-65.5	-15.6	176.3	-73.2	-170.4	170.2	-161.8	0	114.5	L194 H195 R196 E200 V206	L194-K198 WeakPolarHBondContact O-CG 3.24Å; L194-K198 PolarHBondContact O-N 3.21Å; H195-K198 WeakPolarHBondContact O-CB 3.44Å; H195-K198 PolarHBondContact O-N 3.15Å; H195-K198 VanDerWaalsContact O-N 3.11Å; R196-K198 VanDerWaalsContact C-N 3.32Å; K198-E200 VanDerWaalsContact C-N 3.34Å; K198-V206 WeakPolarHBondContact CE-O 3.47Å; K198-V206 HydrophobicContact CG-CG1 3.79Å; K198-V206 PolarHBondContact NZ-O 2.59Å
199	C	95.8	Very high	95.8	Very high	84 Å²	84	49.4 Å²	49.4	57%	0.568	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.2	173.2	-53.5	0	0	0	0	113.4	H195 R196 L197	H195-C199 PolarHBondContact O-SG 3.14Å; R196-C199 WeakPolarHBondContact O-CB 3.11Å; R196-C199 PolarHBondContact O-N 3.04Å; L197-C199 PolarHBondContact O-N 3.3Å
200	E	95.6	Very high	95.5	Very high	41 Å²	41	53.1 Å²	53.1	19%	0.192	28%	0.283	C	S	.	.	S	Bend	trans	-96.1	133.9	178	-61.7	-72.5	131	0	0	110	R196 L197 K198 E202 F203 E204 I283	R196-E200 IonicContact CZ-OE1 3.98Å; R196-E200 IonicContact NH1-OE1 2.74Å; R196-E200 PolarHBondContact NH1-OE1 3.03Å; R196-E200 IonicContact NH2-OE1 2.75Å; R196-E200 PolarHBondContact NH2-OE1 3Å; L197-E200 PolarHBondContact O-N 2.69Å; K198-E200 VanDerWaalsContact C-N 3.34Å; E200-E202 PolarHBondContact O-N 2.6Å; E200-E202 VanDerWaalsContact O-N 3.11Å; E200-F203 HydrophobicContact CB-CD2 4.06Å; E200-F203 CarbonylContact O-C 3.48Å; E200-F203 PolarHBondContact O-N 2.8Å; E200-E204 PolarHBondContact O-N 2.77Å; E200-I283 HydrophobicContact CB-CD1 4.24Å; E200-I283 HydrophobicContact CG-CD1 3.73Å; E200-I283 HydrophobicContact CG-CG1 3.99Å; E200-I283 HydrophobicContact CG-CG2 4.17Å
201	S	92.5	Very high	95.1	Very high	67 Å²	67	53.3 Å²	53.3	47%	0.469	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.1	-169.3	85.1	0	0	0	0	113.2	F203 P261	S201-F203 VanDerWaalsContact C-N 3.28Å; S201-F203 PolarHBondContact O-N 2.86Å; S201-P261 WeakPolarHBondContact O-CB 3.37Å; S201-P261 WeakPolarHBondContact O-CG 3.15Å; S201-P261 WeakPolarHBondContact OG-CB 3.28Å
202	E	94.4	Very high	94.6	Very high	19 Å²	19	52.1 Å²	52.1	9%	0.089	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.4	-178.6	-46.3	69.4	-142.3	0	0	112.6	E200 L232 P261 L262 Q264 F265	E200-E202 PolarHBondContact O-N 2.6Å; E200-E202 VanDerWaalsContact O-N 3.11Å; E202-L232 VanDerWaalsContact O-CD2 3.28Å; E202-L232 WeakPolarHBondContact O-CD2 3.14Å; E202-P261 HydrophobicContact CB-CB 4.48Å; E202-P261 HydrophobicContact CG-CB 4.15Å; E202-L262 HydrophobicContact CB-CD2 4.15Å; E202-Q264 VanDerWaalsContact CD-NE2 3.27Å; E202-Q264 HydrophobicContact CG-CG 4.44Å; E202-Q264 PolarHBondContact OE1-NE2 3.07Å; E202-F265 HydrophobicContact CB-CE2 3.71Å; E202-F265 HydrophobicContact CB-CZ 3.95Å; E202-F265 HydrophobicContact CG-CE2 3.83Å; E202-F265 HydrophobicContact CG-CZ 3.73Å
203	F	96.6	Very high	94.1	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	4.7	-172.8	-56.2	-79.2	0	0	0	113.3	L197 E200 S201 G205 V206 F265 M276 Q279 F280 I283 L322	L197-F203 HydrophobicContact CB-CB 4.3Å; L197-F203 HydrophobicContact CD2-CB 4.32Å; L197-F203 HydrophobicContact CD2-CD2 4.32Å; L197-F203 HydrophobicContact CD2-CG 4.15Å; L197-F203 WeakPolarHBondContact O-CB 3.4Å; E200-F203 HydrophobicContact CB-CD2 4.06Å; E200-F203 CarbonylContact O-C 3.48Å; E200-F203 PolarHBondContact O-N 2.8Å; S201-F203 VanDerWaalsContact C-N 3.28Å; S201-F203 PolarHBondContact O-N 2.86Å; F203-G205 PolarHBondContact O-N 3.44Å; F203-G205 VanDerWaalsContact O-N 3.13Å; F203-V206 WeakPolarHBondContact O-CB 3.26Å; F203-V206 WeakPolarHBondContact O-CG1 3.18Å; F203-V206 PolarHBondContact O-N 2.91Å; F203-F265 HydrophobicContact CE2-CZ 4.24Å; F203-F265 HydrophobicContact CZ-CE2 4.24Å; F203-F265 HydrophobicContact CZ-CZ 4.21Å; F203-M276 HydrophobicContact CD1-CE 4.36Å; F203-M276 HydrophobicContact CE1-CE 3.71Å; F203-M276 HydrophobicContact CE1-CG 4.29Å; F203-M276 HydrophobicContact CZ-CE 4.28Å; F203-M276 HydrophobicContact CZ-CG 4.2Å; F203-Q279 HydrophobicContact CE2-CG 4.03Å; F203-F280 HydrophobicContact CD1-CD2 4.35Å; F203-F280 HydrophobicContact CE1-CB 4.28Å; F203-F280 AromaticContact CE1-CD2 3.98Å; F203-F280 HydrophobicContact CE1-CD2 3.98Å; F203-F280 HydrophobicContact CZ-CB 4.03Å; F203-F280 HydrophobicContact CZ-CD2 4.42Å; F203-I283 HydrophobicContact CD2-CD1 3.69Å; F203-I283 HydrophobicContact CE2-CD1 3.53Å; F203-L322 HydrophobicContact CD1-CD1 4.4Å; F203-L322 HydrophobicContact CE1-CD1 4.2Å; F203-L322 HydrophobicContact CE1-CD2 3.95Å
204	E	93.9	Very high	93.6	Very high	143 Å²	143	50.6 Å²	50.6	67%	0.668	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.5	-46.8	176.4	-175.2	-171.2	-168.5	0	0	112.8	E200 V206	E200-E204 PolarHBondContact O-N 2.77Å; E204-V206 PolarHBondContact O-N 3.31Å
205	G	94.1	Very high	92.9	Very high	47 Å²	47	51 Å²	51	49%	0.485	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	17.5	179.4	0	0	0	0	0	115.8	F203	F203-G205 PolarHBondContact O-N 3.44Å; F203-G205 VanDerWaalsContact O-N 3.13Å
206	V	97.3	Very high	92.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	137.6	-176.8	74.1	0	0	0	0	112.4	L194 L197 K198 F203 E204 F230 K231	L194-V206 HydrophobicContact CD1-CG1 3.82Å; L194-V206 HydrophobicContact CD1-CG2 4.36Å; L197-V206 HydrophobicContact CB-CG1 3.98Å; K198-V206 WeakPolarHBondContact CE-O 3.47Å; K198-V206 HydrophobicContact CG-CG1 3.79Å; K198-V206 PolarHBondContact NZ-O 2.59Å; F203-V206 WeakPolarHBondContact O-CB 3.26Å; F203-V206 WeakPolarHBondContact O-CG1 3.18Å; F203-V206 PolarHBondContact O-N 2.91Å; E204-V206 PolarHBondContact O-N 3.31Å; V206-F230 HydrophobicContact CG2-CB 3.77Å; V206-F230 HydrophobicContact CG2-CG 4.32Å; V206-K231 CarbonylContact C-O 3.59Å; V206-K231 WeakPolarHBondContact CA-O 3.49Å
207	E	97.4	Very high	92.1	Very high	99 Å²	99	48.6 Å²	48.6	46%	0.463	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153	175.9	-65.1	-175	149.2	0	0	110.9	F230 K231	E207-F230 CarbonylContact O-C 3.58Å; E207-F230 WeakPolarHBondContact O-CA 3.24Å; E207-K231 HydrophobicContact CB-CG 3.95Å; E207-K231 PolarHBondContact N-O 3.4Å; E207-K231 PolarHBondContact O-N 3.03Å; E207-K231 WeakPolarHBondContact OE2-CE 3.33Å; E207-K231 IonicContact OE2-NZ 2.69Å; E207-K231 PolarHBondContact OE2-NZ 2.98Å
208	Q	96.1	Very high	91.6	Very high	46 Å²	46	48.6 Å²	48.6	22%	0.215	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.2	170.6	-168.8	-179.8	5.4	0	0	110.6	L194 H210 V228 F230	L194-Q208 HydrophobicContact CD2-CB 4.43Å; Q208-H210 VanDerWaalsContact CD-CE1 3.44Å; Q208-H210 PolarHBondContact OE1-CE1 3Å; Q208-V228 HydrophobicContact CG-CG1 4.49Å; Q208-F230 HydrophobicContact CB-CD1 4.36Å; Q208-F230 HydrophobicContact CB-CE1 4.35Å; Q208-F230 HydrophobicContact CG-CD1 4.35Å; Q208-F230 HydrophobicContact CG-CE1 4.25Å
209	L	93.6	Very high	91.2	Very high	22 Å²	22	44.9 Å²	44.9	12%	0.115	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	112.9	171.8	-179.1	64.4	0	0	0	109.3	T211 M229 K231 Y358 H381	L209-T211 HydrophobicContact CD1-CG2 4.4Å; L209-T211 HydrophobicContact CD2-CG2 4.11Å; L209-T211 HydrophobicContact CG-CG2 3.86Å; L209-T211 PolarHBondContact O-N 2.94Å; L209-T211 PolarHBondContact O-OG1 2.81Å; L209-M229 HydrophobicContact CB-CB 4.18Å; L209-M229 HydrophobicContact CB-CG 4.49Å; L209-M229 HydrophobicContact CD2-CG 4.25Å; L209-M229 HydrophobicContact CD2-SD 3.86Å; L209-M229 PolarHBondContact N-O 2.89Å; L209-K231 HydrophobicContact CB-CB 4.46Å; L209-K231 HydrophobicContact CB-CD 4.12Å; L209-K231 HydrophobicContact CB-CG 4.31Å; L209-K231 HydrophobicContact CD1-CD 4.32Å; L209-Y358 HydrophobicContact CD2-CD1 4.09Å; L209-Y358 HydrophobicContact CD2-CD2 4.46Å; L209-Y358 HydrophobicContact CD2-CE1 3.66Å; L209-Y358 HydrophobicContact CD2-CE2 4.12Å; L209-Y358 HydrophobicContact CD2-CG 4.45Å; L209-H381 HydrophobicContact CD1-CB 4.29Å
210	H	88.9	Confident	90.8	Very high	83 Å²	83	41 Å²	41	38%	0.384	21%	0.213	S	C	.	.			trans	-78.4	77.7	-176.6	-59.5	-61.7	0	0	0	112.3	Q208 Y215 K384	Q208-H210 VanDerWaalsContact CD-CE1 3.44Å; Q208-H210 PolarHBondContact OE1-CE1 3Å; H210-Y215 HydrophobicContact CB-CD1 3.82Å; H210-Y215 HydrophobicContact CB-CD2 4.15Å; H210-Y215 HydrophobicContact CB-CE1 3.79Å; H210-Y215 HydrophobicContact CB-CE2 4.12Å; H210-Y215 HydrophobicContact CB-CG 3.99Å; H210-Y215 AromaticContact CG-CE1 3.93Å; H210-Y215 AromaticContact CG-CZ 3.99Å; H210-Y215 AromaticContact ND1-CE1 3.65Å; H210-Y215 AromaticContact ND1-CZ 3.4Å; H210-Y215 PolarHBondContact ND1-OH 2.97Å; H210-Y215 VanDerWaalsContact ND1-OH 3.13Å; H210-K384 WeakPolarHBondContact O-CD 3.36Å; H210-K384 WeakPolarHBondContact O-CE 3.44Å; H210-K384 PolarHBondContact O-NZ 3.36Å
211	T	88.1	Confident	90.1	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.025	22%	0.221	C	C	.	.			trans	-122.4	166.8	179.2	46.2	0	0	0	0	112	L209 Y215 H381	L209-T211 HydrophobicContact CD1-CG2 4.4Å; L209-T211 HydrophobicContact CD2-CG2 4.11Å; L209-T211 HydrophobicContact CG-CG2 3.86Å; L209-T211 PolarHBondContact O-N 2.94Å; L209-T211 PolarHBondContact O-OG1 2.81Å; T211-Y215 WeakPolarHBondContact O-CD2 3.3Å; T211-H381 HydrophobicContact CG2-CB 3.86Å
212	G	86.1	Confident	89.5	Confident	12 Å²	12	39.6 Å²	39.6	12%	0.124	21%	0.21	C	C	.	.	S	Bend	trans	100.1	171.2	-178.2	0	0	0	0	0	113.8	Y214 Y215 E216 D227	G212-Y214 PolarHBondContact O-N 3.46Å; G212-Y214 VanDerWaalsContact O-N 3.09Å; G212-Y215 PolarHBondContact O-N 2.82Å; G212-E216 WeakPolarHBondContact O-CG 3.22Å; G212-E216 PolarHBondContact O-N 2.97Å; G212-E216 VanDerWaalsContact O-N 3.08Å; G212-D227 VanDerWaalsContact CA-OD2 3.28Å; G212-D227 WeakPolarHBondContact CA-OD2 3.45Å
213	S	83.3	Confident	89	Confident	17 Å²	17	40 Å²	40	12%	0.119	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.9	-156.1	67.1	0	0	0	0	114.7	H217 V218 K219 D227	S213-H217 PolarHBondContact O-N 3.09Å; S213-V218 CarbonylContact O-C 3.55Å; S213-V218 PolarHBondContact O-N 2.67Å; S213-K219 PolarHBondContact O-N 3.41Å; S213-D227 PolarHBondContact N-OD2 2.8Å
214	Y	86.7	Confident	88.5	Confident	56 Å²	56	43.2 Å²	43.2	22%	0.22	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-57.2	170.4	177.6	-108.8	0	0	0	111.6	I179 G212 E216 H217 F226	I179-Y214 HydrophobicContact CG2-CE2 3.8Å; I179-Y214 WeakPolarHBondContact CG2-OH 3.4Å; G212-Y214 PolarHBondContact O-N 3.46Å; G212-Y214 VanDerWaalsContact O-N 3.09Å; Y214-E216 PolarHBondContact O-N 2.95Å; Y214-H217 PolarHBondContact O-N 3.4Å; Y214-F226 HydrophobicContact CD1-CD1 4.18Å; Y214-F226 HydrophobicContact CD1-CE1 4.14Å; Y214-F226 HydrophobicContact CD2-CD1 4.37Å; Y214-F226 AromaticContact CD2-CE1 3.83Å; Y214-F226 HydrophobicContact CD2-CE1 3.83Å; Y214-F226 HydrophobicContact CE1-CE1 4.26Å; Y214-F226 AromaticContact CE2-CE1 3.97Å; Y214-F226 HydrophobicContact CE2-CE1 3.97Å; Y214-F226 HydrophobicContact CG-CD1 4.03Å; Y214-F226 AromaticContact CG-CE1 3.92Å; Y214-F226 HydrophobicContact CG-CE1 3.92Å
215	Y	83.6	Confident	88.2	Confident	43 Å²	43	41.4 Å²	41.4	17%	0.169	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-12.7	-179.8	-60.7	-75.5	0	0	0	114	H210 T211 G212 H217 K384	H210-Y215 HydrophobicContact CB-CD1 3.82Å; H210-Y215 HydrophobicContact CB-CD2 4.15Å; H210-Y215 HydrophobicContact CB-CE1 3.79Å; H210-Y215 HydrophobicContact CB-CE2 4.12Å; H210-Y215 HydrophobicContact CB-CG 3.99Å; H210-Y215 AromaticContact CG-CE1 3.93Å; H210-Y215 AromaticContact CG-CZ 3.99Å; H210-Y215 AromaticContact ND1-CE1 3.65Å; H210-Y215 AromaticContact ND1-CZ 3.4Å; H210-Y215 PolarHBondContact ND1-OH 2.97Å; H210-Y215 VanDerWaalsContact ND1-OH 3.13Å; T211-Y215 WeakPolarHBondContact O-CD2 3.3Å; G212-Y215 PolarHBondContact O-N 2.82Å; Y215-H217 VanDerWaalsContact C-N 3.33Å; Y215-K384 VanDerWaalsContact O-CE 3.29Å; Y215-K384 WeakPolarHBondContact O-CE 3.24Å
216	E	88.3	Confident	87.9	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.028	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.1	170.7	-68.8	177.8	152	0	0	112.8	G212 Y214 V218 K384 L387 K407 K439	G212-E216 WeakPolarHBondContact O-CG 3.22Å; G212-E216 PolarHBondContact O-N 2.97Å; G212-E216 VanDerWaalsContact O-N 3.08Å; Y214-E216 PolarHBondContact O-N 2.95Å; E216-V218 VanDerWaalsContact C-N 3.3Å; E216-V218 HydrophobicContact CB-CG2 3.76Å; E216-K384 HydrophobicContact CG-CB 4.02Å; E216-K384 HydrophobicContact CG-CG 4.28Å; E216-L387 HydrophobicContact CB-CD1 3.89Å; E216-L387 HydrophobicContact CG-CD1 3.98Å; E216-K407 PolarHBondContact O-NZ 3.49Å; E216-K439 IonicContact OE1-NZ 3.45Å; E216-K439 PolarHBondContact OE1-NZ 3.02Å; E216-K439 IonicContact OE2-NZ 2.7Å
217	H	87.4	Confident	87.7	Confident	133 Å²	133	43 Å²	43	62%	0.616	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	35.6	-169.5	-52.2	-81.5	0	0	0	113.8	S213 Y214 Y215	S213-H217 PolarHBondContact O-N 3.09Å; Y214-H217 PolarHBondContact O-N 3.4Å; Y215-H217 VanDerWaalsContact C-N 3.33Å
218	V	87.8	Confident	87.6	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.199	C	C	.	.			trans	-131.7	18.4	177.2	-56.1	0	0	0	0	113.4	S213 E216 L387 K407 L410 K414	S213-V218 CarbonylContact O-C 3.55Å; S213-V218 PolarHBondContact O-N 2.67Å; E216-V218 VanDerWaalsContact C-N 3.3Å; E216-V218 HydrophobicContact CB-CG2 3.76Å; V218-L387 HydrophobicContact CG2-CD1 4.26Å; V218-K407 HydrophobicContact CG1-CB 4.31Å; V218-K407 HydrophobicContact CG1-CD 4.03Å; V218-K407 HydrophobicContact CG1-CG 4.2Å; V218-L410 HydrophobicContact CG1-CD2 4.19Å; V218-L410 HydrophobicContact CG2-CD2 4.41Å; V218-K414 PolarHBondContact O-NZ 2.89Å
219	K	88.5	Confident	87.7	Confident	19 Å²	19	37.2 Å²	37.2	8%	0.083	19%	0.193	C	C	.	.			trans	-64.3	148.5	160.3	-175.8	70.8	-171.1	-165.9	0	108.6	L174 S213 A222 E225	L174-K219 HydrophobicContact CD1-CB 4.11Å; L174-K219 HydrophobicContact CD1-CG 3.79Å; S213-K219 PolarHBondContact O-N 3.41Å; K219-A222 WeakPolarHBondContact CE-O 3.41Å; K219-E225 VanDerWaalsContact NZ-CB 3.25Å; K219-E225 VanDerWaalsContact NZ-CG 3.34Å; K219-E225 PolarHBondContact NZ-O 2.98Å; K219-E225 IonicContact NZ-OE2 2.73Å; K219-E225 PolarHBondContact NZ-OE2 3.1Å
220	I	85.6	Confident	87.9	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.188	C	C	.	.			trans	-135.6	172.1	-175.4	54	169.3	0	0	0	109	L172 A222 K411 K414 Y415 E418	L172-I220 HydrophobicContact CD1-CG2 4.29Å; L172-I220 HydrophobicContact CD2-CB 4.3Å; I220-A222 PolarHBondContact O-N 3.47Å; I220-K411 HydrophobicContact CG2-CB 3.76Å; I220-K411 HydrophobicContact CG2-CD 4.48Å; I220-K411 HydrophobicContact CG2-CG 3.76Å; I220-K414 HydrophobicContact CD1-CB 3.74Å; I220-Y415 HydrophobicContact CD1-CD2 4.35Å; I220-E418 WeakPolarHBondContact CD1-OE2 3.42Å
221	S	81.9	Confident	88.3	Confident	50 Å²	50	33.2 Å²	33.2	35%	0.35	17%	0.174	S	C	.	.	S	Bend	trans	66.2	-75.7	170.6	-46.4	0	0	0	0	114.5	L174 E418	L174-S221 WeakPolarHBondContact CD2-O 3.42Å; S221-E418 VanDerWaalsContact CB-OE1 3.28Å; S221-E418 WeakPolarHBondContact CB-OE1 2.99Å; S221-E418 PolarHBondContact OG-OE1 2.91Å
222	A	80	Confident	88.7	Confident	30 Å²	30	33.5 Å²	33.5	25%	0.248	18%	0.176	C	C	.	.			trans	-142.8	152.8	179.7	0	0	0	0	0	112.5	K219 I220 N224	K219-A222 WeakPolarHBondContact CE-O 3.41Å; I220-A222 PolarHBondContact O-N 3.47Å; A222-N224 HydrophobicContact CB-CB 4.16Å; A222-N224 PolarHBondContact O-N 3.15Å; A222-N224 PolarHBondContact O-OD1 3.13Å
223	P	83.2	Confident	89.2	Confident	26 Å²	26	37.9 Å²	37.9	17%	0.169	19%	0.193	C	C	.	.	S	Bend	trans	-80.4	41.2	173.9	36.8	-35.4	0	0	0	111.6	L174 D178 I179 A182 F226	L174-P223 HydrophobicContact CD1-CB 4.48Å; D178-P223 HydrophobicContact CB-CG 4.25Å; I179-P223 HydrophobicContact CG1-CB 4.24Å; A182-P223 HydrophobicContact CB-CB 4.25Å; A182-P223 WeakPolarHBondContact CB-O 3.26Å; P223-F226 WeakPolarHBondContact O-CE2 3.44Å
224	N	85.8	Confident	89.5	Confident	69 Å²	69	37.4 Å²	37.4	37%	0.369	19%	0.189	S	C	.	.			trans	-107.1	1.1	-171.1	68.9	-20.9	0	0	0	114.3	A222 I316 S317	A222-N224 HydrophobicContact CB-CB 4.16Å; A222-N224 PolarHBondContact O-N 3.15Å; A222-N224 PolarHBondContact O-OD1 3.13Å; N224-I316 CarbonylContact O-C 3.55Å; N224-I316 WeakPolarHBondContact O-CA 3.47Å; N224-S317 PolarHBondContact O-N 3.02Å
225	E	87.6	Confident	89.3	Confident	104 Å²	104	38.4 Å²	38.4	49%	0.486	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	132.3	169.1	-30.4	161.6	110.7	0	0	110.6	K219 S317	K219-E225 VanDerWaalsContact NZ-CB 3.25Å; K219-E225 VanDerWaalsContact NZ-CG 3.34Å; K219-E225 PolarHBondContact NZ-O 2.98Å; K219-E225 IonicContact NZ-OE2 2.73Å; K219-E225 PolarHBondContact NZ-OE2 3.1Å; E225-S317 VanDerWaalsContact CA-O 3.24Å; E225-S317 WeakPolarHBondContact CA-O 2.77Å
226	F	89.8	Confident	89.4	Confident	9 Å²	9	44.4 Å²	44.4	4%	0.039	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.6	177.6	-64.1	-98	0	0	0	111.2	A182 V186 Y214 P223 I316 S317 V318 D319	A182-F226 HydrophobicContact CB-CE2 4.02Å; A182-F226 HydrophobicContact CB-CZ 3.87Å; V186-F226 HydrophobicContact CG1-CB 4.4Å; V186-F226 HydrophobicContact CG1-CG 4.3Å; V186-F226 HydrophobicContact CG2-CD2 3.7Å; V186-F226 HydrophobicContact CG2-CE2 3.8Å; V186-F226 HydrophobicContact CG2-CG 4.27Å; V186-F226 HydrophobicContact CG2-CZ 4.44Å; Y214-F226 HydrophobicContact CD1-CD1 4.18Å; Y214-F226 HydrophobicContact CD1-CE1 4.14Å; Y214-F226 HydrophobicContact CD2-CD1 4.37Å; Y214-F226 AromaticContact CD2-CE1 3.83Å; Y214-F226 HydrophobicContact CD2-CE1 3.83Å; Y214-F226 HydrophobicContact CE1-CE1 4.26Å; Y214-F226 AromaticContact CE2-CE1 3.97Å; Y214-F226 HydrophobicContact CE2-CE1 3.97Å; Y214-F226 HydrophobicContact CG-CD1 4.03Å; Y214-F226 AromaticContact CG-CE1 3.92Å; Y214-F226 HydrophobicContact CG-CE1 3.92Å; P223-F226 WeakPolarHBondContact O-CE2 3.44Å; F226-I316 HydrophobicContact CD2-CG2 3.67Å; F226-I316 HydrophobicContact CE2-CG2 3.75Å; F226-S317 PolarHBondContact N-O 3.27Å; F226-V318 HydrophobicContact CB-CG1 4.49Å; F226-V318 WeakPolarHBondContact O-CA 3.47Å; F226-D319 PolarHBondContact O-N 2.78Å
227	D	92.8	Very high	89.6	Confident	73 Å²	73	44.9 Å²	44.9	39%	0.39	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132	162.7	-41.9	-81.9	0	0	0	108.4	G212 S213	G212-D227 VanDerWaalsContact CA-OD2 3.28Å; G212-D227 WeakPolarHBondContact CA-OD2 3.45Å; S213-D227 PolarHBondContact N-OD2 2.8Å
228	V	94.9	Very high	89.9	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.024	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.9	172.3	177.2	0	0	0	0	108.7	V190 Q208 F230 V318 D319 I320 T321	V190-V228 HydrophobicContact CG1-CG1 4.02Å; V190-V228 HydrophobicContact CG2-CG1 4.29Å; V190-V228 HydrophobicContact CG2-CG2 4.05Å; Q208-V228 HydrophobicContact CG-CG1 4.49Å; V228-F230 HydrophobicContact CG1-CD1 4.14Å; V228-F230 HydrophobicContact CG1-CE1 3.91Å; V228-V318 HydrophobicContact CB-CG1 4.38Å; V228-V318 HydrophobicContact CG2-CG1 3.71Å; V228-D319 PolarHBondContact N-O 3.46Å; V228-I320 HydrophobicContact CB-CG1 4.4Å; V228-I320 CarbonylContact O-C 3.52Å; V228-I320 WeakPolarHBondContact O-CA 3.47Å; V228-T321 PolarHBondContact O-N 2.95Å
229	M	97.1	Very high	90.3	Very high	18 Å²	18	45 Å²	45	9%	0.089	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.2	177	-165.7	165.7	-69.2	0	0	110	L209 T321 A323 V360	L209-M229 HydrophobicContact CB-CB 4.18Å; L209-M229 HydrophobicContact CB-CG 4.49Å; L209-M229 HydrophobicContact CD2-CG 4.25Å; L209-M229 HydrophobicContact CD2-SD 3.86Å; L209-M229 PolarHBondContact N-O 2.89Å; M229-T321 CarbonylContact C-O 3.5Å; M229-T321 WeakPolarHBondContact CA-O 3.13Å; M229-T321 HydrophobicContact CE-CG2 4.32Å; M229-A323 HydrophobicContact CG-CB 3.79Å; M229-A323 HydrophobicContact SD-CB 3.82Å; M229-V360 HydrophobicContact CE-CG1 4.19Å
230	F	98.2	Very high	90.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	119.9	171.7	-75.9	-14.5	0	0	0	108.3	V190 L193 L194 L197 V206 E207 Q208 V228 F280 I320 T321 L322 A323	V190-F230 HydrophobicContact CG1-CE1 3.72Å; V190-F230 HydrophobicContact CG1-CZ 3.82Å; L193-F230 HydrophobicContact CB-CE2 4.43Å; L194-F230 HydrophobicContact CB-CE1 4.23Å; L194-F230 HydrophobicContact CB-CZ 3.9Å; L194-F230 HydrophobicContact CD1-CD1 3.97Å; L194-F230 HydrophobicContact CD1-CE1 3.77Å; L194-F230 HydrophobicContact CD1-CE2 4.48Å; L194-F230 HydrophobicContact CD1-CG 4.4Å; L194-F230 HydrophobicContact CD1-CZ 4.04Å; L197-F230 HydrophobicContact CD1-CD2 3.52Å; L197-F230 HydrophobicContact CD1-CE2 3.48Å; L197-F230 VanDerWaalsContact CD1-CE2 3.48Å; V206-F230 HydrophobicContact CG2-CB 3.77Å; V206-F230 HydrophobicContact CG2-CG 4.32Å; E207-F230 CarbonylContact O-C 3.58Å; E207-F230 WeakPolarHBondContact O-CA 3.24Å; Q208-F230 HydrophobicContact CB-CD1 4.36Å; Q208-F230 HydrophobicContact CB-CE1 4.35Å; Q208-F230 HydrophobicContact CG-CD1 4.35Å; Q208-F230 HydrophobicContact CG-CE1 4.25Å; V228-F230 HydrophobicContact CG1-CD1 4.14Å; V228-F230 HydrophobicContact CG1-CE1 3.91Å; F230-F280 HydrophobicContact CB-CZ 4.46Å; F230-F280 AromaticContact CD2-CE2 3.96Å; F230-F280 HydrophobicContact CD2-CE2 3.96Å; F230-F280 AromaticContact CD2-CZ 3.85Å; F230-F280 HydrophobicContact CD2-CZ 3.85Å; F230-I320 HydrophobicContact CD2-CG2 3.85Å; F230-I320 HydrophobicContact CE2-CG2 3.94Å; F230-I320 HydrophobicContact CG-CG2 4.37Å; F230-T321 PolarHBondContact N-O 2.89Å; F230-L322 CarbonylContact O-C 3.57Å; F230-A323 PolarHBondContact O-N 2.79Å
231	K	97.8	Very high	91.1	Very high	22 Å²	22	51.1 Å²	51.1	10%	0.096	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	138.9	-178.3	67	178.7	-175.1	93.1	0	111.5	V206 E207 L209 A323 E325 Y358	V206-K231 CarbonylContact C-O 3.59Å; V206-K231 WeakPolarHBondContact CA-O 3.49Å; E207-K231 HydrophobicContact CB-CG 3.95Å; E207-K231 PolarHBondContact N-O 3.4Å; E207-K231 PolarHBondContact O-N 3.03Å; E207-K231 WeakPolarHBondContact OE2-CE 3.33Å; E207-K231 IonicContact OE2-NZ 2.69Å; E207-K231 PolarHBondContact OE2-NZ 2.98Å; L209-K231 HydrophobicContact CB-CB 4.46Å; L209-K231 HydrophobicContact CB-CD 4.12Å; L209-K231 HydrophobicContact CB-CG 4.31Å; L209-K231 HydrophobicContact CD1-CD 4.32Å; K231-A323 CarbonylContact C-O 3.52Å; K231-A323 VanDerWaalsContact CA-O 3.25Å; K231-A323 WeakPolarHBondContact CA-O 3.35Å; K231-E325 HydrophobicContact CB-CB 4.46Å; K231-E325 WeakPolarHBondContact CD-OE1 3.42Å; K231-E325 WeakPolarHBondContact CE-OE1 3.23Å; K231-E325 IonicContact NZ-OE1 3.48Å; K231-E325 PolarHBondContact NZ-OE1 3.29Å; K231-E325 IonicContact NZ-OE2 2.71Å; K231-E325 PolarHBondContact NZ-OE2 2.84Å; K231-Y358 HydrophobicContact CB-CD1 4.25Å; K231-Y358 HydrophobicContact CB-CE1 3.7Å; K231-Y358 HydrophobicContact CD-CE1 3.68Å; K231-Y358 WeakPolarHBondContact CD-OH 3.42Å; K231-Y358 HydrophobicContact CG-CE1 4.34Å
232	L	97.3	Very high	91.6	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	122.9	172.4	-177	70.5	0	0	0	109.1	E202 V234 L262 M276 A323 L324 E325	E202-L232 VanDerWaalsContact O-CD2 3.28Å; E202-L232 WeakPolarHBondContact O-CD2 3.14Å; L232-V234 PolarHBondContact O-N 3.3Å; L232-L262 HydrophobicContact CD2-CD1 4.35Å; L232-L262 HydrophobicContact CD2-CD2 4.06Å; L232-M276 HydrophobicContact CD2-CE 3.56Å; L232-A323 PolarHBondContact N-O 3.36Å; L232-L324 CarbonylContact O-C 3.56Å; L232-L324 WeakPolarHBondContact O-CA 3.18Å; L232-E325 PolarHBondContact O-N 3.18Å
233	Q	94.8	Very high	91.9	Very high	104 Å²	104	52.2 Å²	52.2	49%	0.486	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.7	177.5	-170.9	-166.9	-60.5	0	0	110.7	K327	Q233-K327 HydrophobicContact CG-CD 4.37Å
234	V	90.3	Very high	92.1	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.042	29%	0.291	C	S	.	.			trans	-120.9	116.1	-177.7	-80.8	0	0	0	0	111.9	L232 I237 L262 L324 E325 L326	L232-V234 PolarHBondContact O-N 3.3Å; V234-I237 HydrophobicContact CB-CD1 3.58Å; V234-I237 HydrophobicContact CB-CG1 4.47Å; V234-I237 HydrophobicContact CG1-CD1 4.42Å; V234-I237 HydrophobicContact CG2-CD1 3.32Å; V234-L262 HydrophobicContact CG1-CD1 3.67Å; V234-L324 HydrophobicContact CG1-CD2 4Å; V234-L324 HydrophobicContact CG2-CB 3.74Å; V234-E325 PolarHBondContact N-O 2.8Å; V234-L326 HydrophobicContact CG2-CD1 3.74Å; V234-L326 HydrophobicContact CG2-CG 4.18Å
235	P	83.5	Confident	92.1	Very high	76 Å²	76	56.4 Å²	56.4	49%	0.494	28%	0.283	S	S	.	.			trans	-81.6	151.6	-178.3	32.7	-34.6	0	0	0	112.6	I237	P235-I237 VanDerWaalsContact C-N 3.34Å; P235-I237 PolarHBondContact O-N 2.88Å
236	R	86.1	Confident	92.4	Very high	170 Å²	170	51.7 Å²	51.7	64%	0.642	26%	0.262	S	S	*	.	S	Bend	trans	58.7	32.5	163.6	-57.7	174.5	179.9	169.1	0.6	116	K254	R236-K254 VanDerWaalsContact O-CB 3.31Å; R236-K254 WeakPolarHBondContact O-CB 3.4Å; R236-K254 WeakPolarHBondContact O-CG 3.39Å; R236-K254 PolarHBondContact O-N 2.58Å
237	I	91.6	Very high	92.7	Very high	15 Å²	15	51.4 Å²	51.4	8%	0.077	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	149.6	172.9	-76.8	170.4	0	0	0	112.5	V234 P235 L239 V251 K252 F253 K254 L326	V234-I237 HydrophobicContact CB-CD1 3.58Å; V234-I237 HydrophobicContact CB-CG1 4.47Å; V234-I237 HydrophobicContact CG1-CD1 4.42Å; V234-I237 HydrophobicContact CG2-CD1 3.32Å; P235-I237 VanDerWaalsContact C-N 3.34Å; P235-I237 PolarHBondContact O-N 2.88Å; I237-L239 HydrophobicContact CG2-CD2 3.52Å; I237-L239 HydrophobicContact CG2-CG 4.09Å; I237-V251 HydrophobicContact CD1-CG1 3.6Å; I237-V251 HydrophobicContact CG1-CG1 3.93Å; I237-V251 HydrophobicContact CG2-CG1 3.95Å; I237-K252 CarbonylContact C-O 3.56Å; I237-K252 WeakPolarHBondContact CA-O 3.37Å; I237-F253 HydrophobicContact CG1-CD1 4.1Å; I237-F253 HydrophobicContact CG1-CE1 4.09Å; I237-K254 WeakPolarHBondContact O-CE 3.24Å; I237-L326 HydrophobicContact CB-CD2 4.27Å; I237-L326 HydrophobicContact CD1-CD1 4.38Å; I237-L326 HydrophobicContact CD1-CD2 4.33Å; I237-L326 HydrophobicContact CD1-CG 4.34Å; I237-L326 HydrophobicContact CG2-CD2 3.92Å
238	Q	94.1	Very high	92.9	Very high	90 Å²	90	48.9 Å²	48.9	42%	0.421	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.7	156.9	175.4	161	-35.1	0	0	108.7	K252 K254	Q238-K252 PolarHBondContact N-O 3.21Å; Q238-K252 PolarHBondContact O-N 2.69Å; Q238-K254 HydrophobicContact CB-CD 4.36Å; Q238-K254 HydrophobicContact CB-CG 3.68Å
239	L	95.7	Very high	93	Very high	47 Å²	47	49 Å²	49	25%	0.246	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.8	171.6	-59.3	-177.5	0	0	0	109.3	I237 Y249 V251 L326 P331 F357 L359	I237-L239 HydrophobicContact CG2-CD2 3.52Å; I237-L239 HydrophobicContact CG2-CG 4.09Å; L239-Y249 HydrophobicContact CB-CD1 3.85Å; L239-Y249 HydrophobicContact CB-CG 4.31Å; L239-Y249 HydrophobicContact CD1-CG 4.47Å; L239-V251 HydrophobicContact CD2-CG2 3.83Å; L239-L326 HydrophobicContact CD1-CD2 4.12Å; L239-L326 HydrophobicContact CD2-CD2 4.08Å; L239-L326 HydrophobicContact CG-CD2 4.29Å; L239-P331 HydrophobicContact CD1-CG 4.05Å; L239-F357 HydrophobicContact CD1-CE2 3.75Å; L239-F357 HydrophobicContact CD1-CZ 3.7Å; L239-L359 HydrophobicContact CD1-CD1 4.33Å; L239-L359 HydrophobicContact CD2-CD1 3.59Å
240	E	95.4	Very high	93	Very high	76 Å²	76	49.5 Å²	49.5	36%	0.355	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.6	175.4	-174.4	170.5	110.7	0	0	106.8	Y249 F250 K252	E240-Y249 CarbonylContact O-C 3.47Å; E240-Y249 VanDerWaalsContact O-CA 3.25Å; E240-Y249 WeakPolarHBondContact O-CA 3.46Å; E240-F250 HydrophobicContact CB-CB 4.37Å; E240-F250 PolarHBondContact N-O 3.24Å; E240-F250 VanDerWaalsContact N-O 3.13Å; E240-F250 PolarHBondContact O-N 3.13Å; E240-K252 IonicContact OE1-NZ 3.02Å; E240-K252 PolarHBondContact OE1-NZ 2.56Å; E240-K252 WeakPolarHBondContact OE2-CE 3.49Å; E240-K252 IonicContact OE2-NZ 2.96Å; E240-K252 PolarHBondContact OE2-NZ 2.8Å
241	E	95.3	Very high	92.9	Very high	74 Å²	74	49.5 Å²	49.5	35%	0.346	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.2	-169.8	-164.6	159.4	129.9	0	0	111.1	G246 Y249	E241-G246 WeakPolarHBondContact OE1-CA 3.43Å; E241-G246 PolarHBondContact OE1-N 2.78Å; E241-Y249 HydrophobicContact CB-CD1 4Å; E241-Y249 HydrophobicContact CB-CE1 3.61Å; E241-Y249 HydrophobicContact CG-CD1 4.21Å; E241-Y249 HydrophobicContact CG-CE1 3.59Å; E241-Y249 VanDerWaalsContact OE2-CE1 3.25Å; E241-Y249 WeakPolarHBondContact OE2-CE1 3.25Å; E241-Y249 VanDerWaalsContact OE2-CZ 3.23Å; E241-Y249 PolarHBondContact OE2-OH 2.81Å
242	Y	93.3	Very high	92.7	Very high	22 Å²	22	50.7 Å²	50.7	9%	0.086	25%	0.253	C	S	.	.	S	Bend	trans	-86.7	118.2	177.2	175.4	-91	0	0	0	109.6	D244 T245 Y248 F250 A364 E366 Q371 T374	Y242-D244 VanDerWaalsContact C-N 3.32Å; Y242-D244 PolarHBondContact O-N 2.83Å; Y242-T245 HydrophobicContact CD1-CG2 4.45Å; Y242-T245 WeakPolarHBondContact O-CB 3.36Å; Y242-T245 VanDerWaalsContact O-CG2 3.29Å; Y242-T245 WeakPolarHBondContact O-CG2 3.35Å; Y242-T245 PolarHBondContact O-N 3.47Å; Y242-T245 PolarHBondContact O-OG1 2.96Å; Y242-Y248 PolarHBondContact N-O 3.23Å; Y242-F250 HydrophobicContact CD2-CE1 4.44Å; Y242-F250 AromaticContact CD2-CE2 3.81Å; Y242-F250 HydrophobicContact CD2-CE2 3.81Å; Y242-F250 AromaticContact CD2-CZ 3.65Å; Y242-F250 HydrophobicContact CD2-CZ 3.65Å; Y242-F250 HydrophobicContact CE2-CZ 4.21Å; Y242-A364 HydrophobicContact CD1-CB 3.65Å; Y242-A364 HydrophobicContact CE1-CB 3.35Å; Y242-E366 PolarHBondContact OH-OE2 2.84Å; Y242-Q371 HydrophobicContact CD2-CG 4.41Å; Y242-Q371 HydrophobicContact CE2-CB 3.98Å; Y242-Q371 HydrophobicContact CE2-CG 3.82Å; Y242-T374 HydrophobicContact CD1-CG2 4.38Å; Y242-T374 HydrophobicContact CD2-CG2 3.66Å; Y242-T374 HydrophobicContact CE2-CG2 4.17Å; Y242-T374 HydrophobicContact CG-CG2 3.77Å
243	S	86.6	Confident	92.4	Very high	81 Å²	81	51 Å²	51	57%	0.566	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	43.3	170.7	-52.1	0	0	0	0	115	T245	S243-T245 PolarHBondContact O-N 3.19Å
244	D	85.6	Confident	92	Very high	151 Å²	151	52.5 Å²	52.5	81%	0.807	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	27.1	178.7	-54.2	-40.5	0	0	0	114.5	Y242 G246	Y242-D244 VanDerWaalsContact C-N 3.32Å; Y242-D244 PolarHBondContact O-N 2.83Å; D244-G246 VanDerWaalsContact C-N 3.29Å; D244-G246 PolarHBondContact O-N 2.75Å
245	T	87.6	Confident	91.8	Very high	32 Å²	32	61.7 Å²	61.7	20%	0.196	29%	0.293	C	S	.	.			trans	-76.3	-13.7	-173.8	58.5	0	0	0	0	114	Y242 S243 A247 Y248 F488	Y242-T245 HydrophobicContact CD1-CG2 4.45Å; Y242-T245 WeakPolarHBondContact O-CB 3.36Å; Y242-T245 VanDerWaalsContact O-CG2 3.29Å; Y242-T245 WeakPolarHBondContact O-CG2 3.35Å; Y242-T245 PolarHBondContact O-N 3.47Å; Y242-T245 PolarHBondContact O-OG1 2.96Å; S243-T245 PolarHBondContact O-N 3.19Å; T245-A247 PolarHBondContact O-N 2.77Å; T245-A247 PolarHBondContact OG1-N 3.47Å; T245-Y248 HydrophobicContact CG2-CD2 4.31Å; T245-Y248 PolarHBondContact OG1-N 2.85Å; T245-Y248 VanDerWaalsContact OG1-N 3.12Å; T245-F488 VanDerWaalsContact O-CD2 3.26Å; T245-F488 WeakPolarHBondContact O-CD2 3.41Å
246	G	93.4	Very high	91.6	Very high	5 Å²	5	61.1 Å²	61.1	5%	0.052	29%	0.286	C	S	.	.	S	Bend	trans	62.9	-4.8	-169.6	0	0	0	0	0	115.8	E241 D244 Y249 S333 I485	E241-G246 WeakPolarHBondContact OE1-CA 3.43Å; E241-G246 PolarHBondContact OE1-N 2.78Å; D244-G246 VanDerWaalsContact C-N 3.29Å; D244-G246 PolarHBondContact O-N 2.75Å; G246-Y249 PolarHBondContact O-OH 3.06Å; G246-Y249 VanDerWaalsContact O-OH 3.11Å; G246-S333 WeakPolarHBondContact O-CB 3.42Å; G246-S333 PolarHBondContact O-OG 3.27Å; G246-I485 VanDerWaalsContact O-CG2 3.25Å; G246-I485 WeakPolarHBondContact O-CG2 3.22Å
247	A	95.4	Very high	91.3	Very high	3 Å²	3	55.9 Å²	55.9	3%	0.025	27%	0.274	C	S	.	.	S	Bend	trans	-131.6	-26.5	-162.3	0	0	0	0	0	114.3	T245 R376 L377 I485 F488	T245-A247 PolarHBondContact O-N 2.77Å; T245-A247 PolarHBondContact OG1-N 3.47Å; A247-R376 WeakPolarHBondContact O-CA 3.3Å; A247-R376 WeakPolarHBondContact O-CG 3.41Å; A247-L377 PolarHBondContact O-N 2.96Å; A247-I485 HydrophobicContact CB-CD1 3.88Å; A247-F488 HydrophobicContact CB-CB 4.17Å; A247-F488 HydrophobicContact CB-CD1 4.04Å; A247-F488 HydrophobicContact CB-CD2 3.72Å; A247-F488 HydrophobicContact CB-CE1 4.39Å; A247-F488 HydrophobicContact CB-CE2 4.09Å; A247-F488 HydrophobicContact CB-CG 3.69Å; A247-F488 HydrophobicContact CB-CZ 4.42Å
248	Y	96.5	Very high	90.7	Very high	19 Å²	19	65.5 Å²	65.5	8%	0.075	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.3	176	-60.6	-92.6	0	0	0	110.2	Y242 T245 K362 A364 W375 R376 F488	Y242-Y248 PolarHBondContact N-O 3.23Å; T245-Y248 HydrophobicContact CG2-CD2 4.31Å; T245-Y248 PolarHBondContact OG1-N 2.85Å; T245-Y248 VanDerWaalsContact OG1-N 3.12Å; Y248-K362 WeakPolarHBondContact CD1-O 3.43Å; Y248-K362 VanDerWaalsContact CE1-O 3.3Å; Y248-K362 WeakPolarHBondContact CE1-O 3.49Å; Y248-A364 HydrophobicContact CD1-CB 3.77Å; Y248-A364 HydrophobicContact CD2-CB 4.29Å; Y248-A364 HydrophobicContact CE1-CB 4.21Å; Y248-A364 HydrophobicContact CG-CB 3.83Å; Y248-W375 CarbonylContact C-O 3.6Å; Y248-W375 VanDerWaalsContact CA-O 3.31Å; Y248-W375 WeakPolarHBondContact CA-O 3.19Å; Y248-R376 HydrophobicContact CD1-CB 3.77Å; Y248-R376 HydrophobicContact CD1-CG 3.88Å; Y248-R376 HydrophobicContact CE1-CB 3.71Å; Y248-R376 HydrophobicContact CE1-CG 3.61Å; Y248-R376 HydrophobicContact CE2-CG 4.44Å; Y248-R376 HydrophobicContact CG-CG 4.41Å; Y248-F488 HydrophobicContact CD2-CE2 4.44Å; Y248-F488 AromaticContact CE2-CE2 3.86Å; Y248-F488 HydrophobicContact CE2-CE2 3.86Å; Y248-F488 AromaticContact CE2-CZ 3.79Å; Y248-F488 HydrophobicContact CE2-CZ 3.79Å
249	Y	97.2	Very high	90.1	Very high	6 Å²	6	65 Å²	65	2%	0.024	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.7	-174.2	-66.5	-87.3	0	0	0	110.9	L239 E240 E241 G246 P331 S333 W375 L377	L239-Y249 HydrophobicContact CB-CD1 3.85Å; L239-Y249 HydrophobicContact CB-CG 4.31Å; L239-Y249 HydrophobicContact CD1-CG 4.47Å; E240-Y249 CarbonylContact O-C 3.47Å; E240-Y249 VanDerWaalsContact O-CA 3.25Å; E240-Y249 WeakPolarHBondContact O-CA 3.46Å; E241-Y249 HydrophobicContact CB-CD1 4Å; E241-Y249 HydrophobicContact CB-CE1 3.61Å; E241-Y249 HydrophobicContact CG-CD1 4.21Å; E241-Y249 HydrophobicContact CG-CE1 3.59Å; E241-Y249 VanDerWaalsContact OE2-CE1 3.25Å; E241-Y249 WeakPolarHBondContact OE2-CE1 3.25Å; E241-Y249 VanDerWaalsContact OE2-CZ 3.23Å; E241-Y249 PolarHBondContact OE2-OH 2.81Å; G246-Y249 PolarHBondContact O-OH 3.06Å; G246-Y249 VanDerWaalsContact O-OH 3.11Å; Y249-P331 HydrophobicContact CE1-CB 4.44Å; Y249-P331 HydrophobicContact CE2-CG 4.48Å; Y249-S333 PolarHBondContact OH-OG 2.93Å; Y249-W375 PolarHBondContact N-O 3.21Å; Y249-W375 PolarHBondContact O-N 3.33Å; Y249-L377 HydrophobicContact CD2-CD1 4.42Å; Y249-L377 HydrophobicContact CD2-CG 4.05Å; Y249-L377 HydrophobicContact CE2-CD1 3.6Å; Y249-L377 HydrophobicContact CE2-CD2 4.39Å; Y249-L377 HydrophobicContact CE2-CG 3.73Å
250	F	96.6	Very high	89.7	Confident	29 Å²	29	64 Å²	64	13%	0.127	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	145	155.4	-61.8	-61.8	0	0	0	109.4	E240 Y242 I270 Q371 E373 T374	E240-F250 HydrophobicContact CB-CB 4.37Å; E240-F250 PolarHBondContact N-O 3.24Å; E240-F250 VanDerWaalsContact N-O 3.13Å; E240-F250 PolarHBondContact O-N 3.13Å; Y242-F250 HydrophobicContact CD2-CE1 4.44Å; Y242-F250 AromaticContact CD2-CE2 3.81Å; Y242-F250 HydrophobicContact CD2-CE2 3.81Å; Y242-F250 AromaticContact CD2-CZ 3.65Å; Y242-F250 HydrophobicContact CD2-CZ 3.65Å; Y242-F250 HydrophobicContact CE2-CZ 4.21Å; F250-I270 HydrophobicContact CB-CD1 4.27Å; F250-I270 HydrophobicContact CB-CG1 4.43Å; F250-I270 HydrophobicContact CB-CG2 4.14Å; F250-I270 HydrophobicContact CD1-CD1 3.99Å; F250-I270 HydrophobicContact CD1-CG2 3.94Å; F250-I270 HydrophobicContact CD2-CD1 4.49Å; F250-I270 HydrophobicContact CE1-CD1 4.42Å; F250-I270 HydrophobicContact CG-CD1 4.02Å; F250-I270 HydrophobicContact CG-CG2 4.41Å; F250-Q371 HydrophobicContact CE1-CG 3.95Å; F250-Q371 HydrophobicContact CZ-CG 4.05Å; F250-E373 HydrophobicContact CD1-CB 4.32Å; F250-E373 HydrophobicContact CE1-CB 4.28Å; F250-T374 HydrophobicContact CD1-CG2 3.97Å; F250-T374 HydrophobicContact CE1-CG2 3.58Å; F250-T374 HydrophobicContact CZ-CG2 4.09Å
251	V	96.1	Very high	89.5	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.7	-179.2	170.8	0	0	0	0	108.4	I237 L239 I270 L271 L359 W375	I237-V251 HydrophobicContact CD1-CG1 3.6Å; I237-V251 HydrophobicContact CG1-CG1 3.93Å; I237-V251 HydrophobicContact CG2-CG1 3.95Å; L239-V251 HydrophobicContact CD2-CG2 3.83Å; V251-I270 CarbonylContact O-C 3.46Å; V251-I270 WeakPolarHBondContact O-CA 3.48Å; V251-L271 HydrophobicContact CB-CB 4.11Å; V251-L271 HydrophobicContact CG1-CB 3.89Å; V251-L271 HydrophobicContact CG1-CD2 3.87Å; V251-L271 PolarHBondContact O-N 2.8Å; V251-L359 HydrophobicContact CG2-CD1 3.65Å; V251-W375 HydrophobicContact CG2-CB 4.12Å; V251-W375 VanDerWaalsContact CG2-CD1 3.46Å; V251-W375 HydrophobicContact CG2-CD2 4.45Å; V251-W375 HydrophobicContact CG2-CG 3.75Å
252	K	94.5	Very high	89.3	Confident	47 Å²	47	59.2 Å²	59.2	20%	0.204	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	151.4	177.5	-58	-175.6	178.8	168.9	0	109.8	I237 Q238 E240 E269 I270	I237-K252 CarbonylContact C-O 3.56Å; I237-K252 WeakPolarHBondContact CA-O 3.37Å; Q238-K252 PolarHBondContact N-O 3.21Å; Q238-K252 PolarHBondContact O-N 2.69Å; E240-K252 IonicContact OE1-NZ 3.02Å; E240-K252 PolarHBondContact OE1-NZ 2.56Å; E240-K252 WeakPolarHBondContact OE2-CE 3.49Å; E240-K252 IonicContact OE2-NZ 2.96Å; E240-K252 PolarHBondContact OE2-NZ 2.8Å; K252-E269 WeakPolarHBondContact CA-O 3.4Å; K252-E269 HydrophobicContact CD-CB 4.49Å; K252-E269 WeakPolarHBondContact CG-O 3.4Å; K252-I270 HydrophobicContact CD-CG1 4.36Å; K252-I270 VanDerWaalsContact CE-CG1 3.47Å; K252-I270 HydrophobicContact CG-CG1 4.1Å
253	F	90.8	Very high	89.2	Confident	17 Å²	17	60.2 Å²	60.2	8%	0.075	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.4	175.2	-69.3	-70.1	0	0	0	110.9	I237 R255 N256 L262 L266 L271	I237-F253 HydrophobicContact CG1-CD1 4.1Å; I237-F253 HydrophobicContact CG1-CE1 4.09Å; F253-R255 PolarHBondContact O-N 3.49Å; F253-N256 HydrophobicContact CB-CB 4.15Å; F253-L262 HydrophobicContact CE2-CB 4.42Å; F253-L262 HydrophobicContact CZ-CB 4.1Å; F253-L262 HydrophobicContact CZ-CD1 4.01Å; F253-L266 HydrophobicContact CD2-CD2 4.05Å; F253-L266 HydrophobicContact CE2-CD2 4.1Å; F253-L271 HydrophobicContact CE2-CD1 4.29Å; F253-L271 HydrophobicContact CZ-CD2 4.3Å
254	K	87.6	Confident	89.6	Confident	136 Å²	136	61.1 Å²	61.1	59%	0.591	32%	0.316	S	S	*	.	S	Bend	trans	-61.3	-31	179.2	-69.4	-175.1	175.4	-172.2	0	113.5	R236 I237 Q238	R236-K254 VanDerWaalsContact O-CB 3.31Å; R236-K254 WeakPolarHBondContact O-CB 3.4Å; R236-K254 WeakPolarHBondContact O-CG 3.39Å; R236-K254 PolarHBondContact O-N 2.58Å; I237-K254 WeakPolarHBondContact O-CE 3.24Å; Q238-K254 HydrophobicContact CB-CD 4.36Å; Q238-K254 HydrophobicContact CB-CG 3.68Å
255	R	84.7	Confident	90	Very high	199 Å²	199	54.3 Å²	54.3	75%	0.751	28%	0.279	S	S	*	.	S	Bend	trans	-153.2	105.7	169.6	-66	-171	-178	169.2	0.6	107.1	F253 P257	F253-R255 PolarHBondContact O-N 3.49Å; R255-P257 WeakPolarHBondContact O-CD 3.45Å
256	N	80.3	Confident	90.3	Very high	64 Å²	64	54.4 Å²	54.4	34%	0.342	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-73.2	120.5	176.7	-168.5	16	0	0	0	110.2	F253 N260 S263	F253-N256 HydrophobicContact CB-CB 4.15Å; N256-N260 VanDerWaalsContact OD1-CB 3.22Å; N256-N260 WeakPolarHBondContact OD1-CB 2.93Å; N256-N260 PolarHBondContact OD1-ND2 3.01Å; N256-S263 PolarHBondContact ND2-OG 2.76Å
257	P	78.2	Confident	90.2	Very high	60 Å²	60	57.6 Å²	57.6	39%	0.39	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-64.6	140.5	173.7	-19.9	32.3	0	0	0	111.8	R255 G259 N260	R255-P257 WeakPolarHBondContact O-CD 3.45Å; P257-G259 PolarHBondContact O-N 3.09Å; P257-N260 HydrophobicContact CB-CB 4.33Å; P257-N260 HydrophobicContact CG-CB 4.45Å; P257-N260 VanDerWaalsContact O-CB 3.3Å; P257-N260 WeakPolarHBondContact O-CB 3.34Å; P257-N260 PolarHBondContact O-N 2.93Å
258	K	79.3	Confident	89.8	Confident	218 Å²	218	65.1 Å²	65.1	95%	0.948	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	129.5	166.3	-74.2	-169.4	175.2	-173.3	0	108.9
259	G	82.2	Confident	89.5	Confident	78 Å²	78	70.5 Å²	70.5	80%	0.804	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	9.5	-176	0	0	0	0	0	115.4	P257 P261	P257-G259 PolarHBondContact O-N 3.09Å; G259-P261 WeakPolarHBondContact O-CD 3.46Å
260	N	86.5	Confident	89.3	Confident	26 Å²	26	71.7 Å²	71.7	14%	0.139	36%	0.364	C	S	.	.			trans	-61.4	116.8	168.8	174.1	14.3	0	0	0	109.8	N256 P257 L262 S263	N256-N260 VanDerWaalsContact OD1-CB 3.22Å; N256-N260 WeakPolarHBondContact OD1-CB 2.93Å; N256-N260 PolarHBondContact OD1-ND2 3.01Å; P257-N260 HydrophobicContact CB-CB 4.33Å; P257-N260 HydrophobicContact CG-CB 4.45Å; P257-N260 VanDerWaalsContact O-CB 3.3Å; P257-N260 WeakPolarHBondContact O-CB 3.34Å; P257-N260 PolarHBondContact O-N 2.93Å; N260-L262 PolarHBondContact O-N 3.47Å; N260-L262 WeakPolarHBondContact OD1-CB 3.08Å; N260-L262 PolarHBondContact OD1-N 3.23Å; N260-S263 VanDerWaalsContact O-CB 3.26Å; N260-S263 WeakPolarHBondContact O-CB 3.47Å; N260-S263 PolarHBondContact O-N 3.41Å; N260-S263 PolarHBondContact O-OG 2.99Å
261	P	90.9	Very high	89.3	Confident	42 Å²	42	70.3 Å²	70.3	27%	0.273	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-65.8	-25.8	-172.6	27.2	-35.9	0	0	0	112.7	S201 E202 G259 S263 Q264	S201-P261 WeakPolarHBondContact O-CB 3.37Å; S201-P261 WeakPolarHBondContact O-CG 3.15Å; S201-P261 WeakPolarHBondContact OG-CB 3.28Å; E202-P261 HydrophobicContact CB-CB 4.48Å; E202-P261 HydrophobicContact CG-CB 4.15Å; G259-P261 WeakPolarHBondContact O-CD 3.46Å; P261-S263 PolarHBondContact O-N 2.91Å; P261-S263 VanDerWaalsContact O-N 3.15Å; P261-Q264 WeakPolarHBondContact O-CG 3.41Å; P261-Q264 PolarHBondContact O-NE2 3.3Å
262	L	93.1	Very high	89.2	Confident	9 Å²	9	70.4 Å²	70.4	5%	0.047	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-66.4	-11.1	175	-58.6	-179.8	0	0	0	114	E202 L232 V234 F253 N260 Q264 F265 L271 M276	E202-L262 HydrophobicContact CB-CD2 4.15Å; L232-L262 HydrophobicContact CD2-CD1 4.35Å; L232-L262 HydrophobicContact CD2-CD2 4.06Å; V234-L262 HydrophobicContact CG1-CD1 3.67Å; F253-L262 HydrophobicContact CE2-CB 4.42Å; F253-L262 HydrophobicContact CZ-CB 4.1Å; F253-L262 HydrophobicContact CZ-CD1 4.01Å; N260-L262 PolarHBondContact O-N 3.47Å; N260-L262 WeakPolarHBondContact OD1-CB 3.08Å; N260-L262 PolarHBondContact OD1-N 3.23Å; L262-Q264 PolarHBondContact O-N 2.61Å; L262-F265 HydrophobicContact CD2-CD2 3.98Å; L262-F265 HydrophobicContact CD2-CE2 3.97Å; L262-F265 PolarHBondContact O-N 3.08Å; L262-L271 HydrophobicContact CB-CD1 4.28Å; L262-M276 HydrophobicContact CD2-CE 3.42Å; L262-M276 VanDerWaalsContact CD2-CE 3.42Å; L262-M276 HydrophobicContact CD2-SD 4.34Å
263	S	91.1	Very high	89.3	Confident	42 Å²	42	68.1 Å²	68.1	29%	0.294	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-60.6	-27.1	180	-53.3	0	0	0	0	112.9	N256 N260 P261 F265 L266	N256-S263 PolarHBondContact ND2-OG 2.76Å; N260-S263 VanDerWaalsContact O-CB 3.26Å; N260-S263 WeakPolarHBondContact O-CB 3.47Å; N260-S263 PolarHBondContact O-N 3.41Å; N260-S263 PolarHBondContact O-OG 2.99Å; P261-S263 PolarHBondContact O-N 2.91Å; P261-S263 VanDerWaalsContact O-N 3.15Å; S263-F265 PolarHBondContact O-N 3.04Å; S263-L266 WeakPolarHBondContact O-CB 3.11Å; S263-L266 PolarHBondContact O-N 3.32Å
264	Q	93.2	Very high	89.4	Confident	101 Å²	101	68 Å²	68	47%	0.472	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-67.4	-19.4	176.5	73.9	-169.9	-94	0	0	113.6	E202 P261 L262	E202-Q264 VanDerWaalsContact CD-NE2 3.27Å; E202-Q264 HydrophobicContact CG-CG 4.44Å; E202-Q264 PolarHBondContact OE1-NE2 3.07Å; P261-Q264 WeakPolarHBondContact O-CG 3.41Å; P261-Q264 PolarHBondContact O-NE2 3.3Å; L262-Q264 PolarHBondContact O-N 2.61Å
265	F	95.1	Very high	89.8	Confident	8 Å²	8	65.5 Å²	65.5	4%	0.035	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-94.2	6.7	176.4	-51.1	-42.4	0	0	0	112.9	E202 F203 L262 S263 L271 S272 K275 M276 Q279	E202-F265 HydrophobicContact CB-CE2 3.71Å; E202-F265 HydrophobicContact CB-CZ 3.95Å; E202-F265 HydrophobicContact CG-CE2 3.83Å; E202-F265 HydrophobicContact CG-CZ 3.73Å; F203-F265 HydrophobicContact CE2-CZ 4.24Å; F203-F265 HydrophobicContact CZ-CE2 4.24Å; F203-F265 HydrophobicContact CZ-CZ 4.21Å; L262-F265 HydrophobicContact CD2-CD2 3.98Å; L262-F265 HydrophobicContact CD2-CE2 3.97Å; L262-F265 PolarHBondContact O-N 3.08Å; S263-F265 PolarHBondContact O-N 3.04Å; F265-L271 HydrophobicContact CB-CD1 3.78Å; F265-S272 VanDerWaalsContact O-CB 3.29Å; F265-S272 WeakPolarHBondContact O-CB 3.46Å; F265-S272 PolarHBondContact O-N 2.83Å; F265-K275 HydrophobicContact CB-CB 4.24Å; F265-K275 HydrophobicContact CD1-CB 4.15Å; F265-M276 HydrophobicContact CB-CB 4.32Å; F265-M276 HydrophobicContact CD1-CB 4.49Å; F265-M276 HydrophobicContact CD2-CB 3.79Å; F265-M276 HydrophobicContact CD2-CE 4.37Å; F265-M276 HydrophobicContact CD2-CG 3.61Å; F265-M276 HydrophobicContact CD2-SD 4.02Å; F265-M276 HydrophobicContact CE2-CB 4.18Å; F265-M276 HydrophobicContact CE2-CE 4.18Å; F265-M276 HydrophobicContact CE2-CG 3.65Å; F265-M276 HydrophobicContact CE2-SD 4.31Å; F265-M276 HydrophobicContact CG-CB 3.96Å; F265-M276 HydrophobicContact CG-CG 4.29Å; F265-M276 HydrophobicContact CZ-CG 4.38Å; F265-Q279 HydrophobicContact CE1-CB 3.66Å; F265-Q279 HydrophobicContact CE1-CG 3.92Å; F265-Q279 HydrophobicContact CZ-CB 3.89Å; F265-Q279 HydrophobicContact CZ-CG 3.82Å
266	L	93.3	Very high	90.3	Very high	34 Å²	34	56 Å²	56	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	146.1	174.7	-67.3	172.3	0	0	0	111.6	F253 S263 I270 L271 K275	F253-L266 HydrophobicContact CD2-CD2 4.05Å; F253-L266 HydrophobicContact CE2-CD2 4.1Å; S263-L266 WeakPolarHBondContact O-CB 3.11Å; S263-L266 PolarHBondContact O-N 3.32Å; L266-I270 CarbonylContact C-O 3.55Å; L266-I270 WeakPolarHBondContact CA-O 3.28Å; L266-L271 HydrophobicContact CD2-CB 4.35Å; L266-K275 PolarHBondContact O-NZ 2.86Å
267	E	91.3	Very high	91.1	Very high	72 Å²	72	53.2 Å²	53.2	34%	0.336	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	108.3	165.2	-70.3	-177	-127.2	0	0	105.2	E269 I270 S272 K275	E267-E269 PolarHBondContact O-N 2.86Å; E267-E269 VanDerWaalsContact O-N 3.14Å; E267-I270 PolarHBondContact N-O 2.81Å; E267-I270 PolarHBondContact O-N 3.25Å; E267-S272 WeakPolarHBondContact OE1-CB 2.86Å; E267-S272 PolarHBondContact OE1-OG 2.8Å; E267-K275 VanDerWaalsContact CD-CE 3.48Å; E267-K275 HydrophobicContact CG-CD 3.99Å; E267-K275 VanDerWaalsContact CG-CE 3.41Å; E267-K275 WeakPolarHBondContact OE1-CD 3.42Å; E267-K275 WeakPolarHBondContact OE1-CE 3.32Å; E267-K275 WeakPolarHBondContact OE1-CG 3.14Å; E267-K275 IonicContact OE1-NZ 2.69Å
268	D	87.4	Confident	91.9	Very high	161 Å²	161	53 Å²	53	86%	0.861	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	-112.8	-157.2	-54.6	-38	0	0	0	111.7
269	E	89.4	Confident	92.8	Very high	131 Å²	131	44.4 Å²	44.4	61%	0.612	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-0	178	-69.1	-67.1	149	0	0	113.6	K252 E267	K252-E269 WeakPolarHBondContact CA-O 3.4Å; K252-E269 HydrophobicContact CD-CB 4.49Å; K252-E269 WeakPolarHBondContact CG-O 3.4Å; E267-E269 PolarHBondContact O-N 2.86Å; E267-E269 VanDerWaalsContact O-N 3.14Å
270	I	94.3	Very high	93.5	Very high	32 Å²	32	40.7 Å²	40.7	16%	0.164	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.2	-172.5	-60.1	173.2	0	0	0	110.8	F250 V251 K252 L266 E267 S272 E373	F250-I270 HydrophobicContact CB-CD1 4.27Å; F250-I270 HydrophobicContact CB-CG1 4.43Å; F250-I270 HydrophobicContact CB-CG2 4.14Å; F250-I270 HydrophobicContact CD1-CD1 3.99Å; F250-I270 HydrophobicContact CD1-CG2 3.94Å; F250-I270 HydrophobicContact CD2-CD1 4.49Å; F250-I270 HydrophobicContact CE1-CD1 4.42Å; F250-I270 HydrophobicContact CG-CD1 4.02Å; F250-I270 HydrophobicContact CG-CG2 4.41Å; V251-I270 CarbonylContact O-C 3.46Å; V251-I270 WeakPolarHBondContact O-CA 3.48Å; K252-I270 HydrophobicContact CD-CG1 4.36Å; K252-I270 VanDerWaalsContact CE-CG1 3.47Å; K252-I270 HydrophobicContact CG-CG1 4.1Å; L266-I270 CarbonylContact C-O 3.55Å; L266-I270 WeakPolarHBondContact CA-O 3.28Å; E267-I270 PolarHBondContact N-O 2.81Å; E267-I270 PolarHBondContact O-N 3.25Å; I270-S272 PolarHBondContact O-N 3.01Å; I270-E373 HydrophobicContact CG2-CB 3.9Å
271	L	95.1	Very high	94	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	106.7	172.2	-177.2	69	0	0	0	110.2	V251 F253 L262 F265 L266 A273 L324 W375	V251-L271 HydrophobicContact CB-CB 4.11Å; V251-L271 HydrophobicContact CG1-CB 3.89Å; V251-L271 HydrophobicContact CG1-CD2 3.87Å; V251-L271 PolarHBondContact O-N 2.8Å; F253-L271 HydrophobicContact CE2-CD1 4.29Å; F253-L271 HydrophobicContact CZ-CD2 4.3Å; L262-L271 HydrophobicContact CB-CD1 4.28Å; F265-L271 HydrophobicContact CB-CD1 3.78Å; L266-L271 HydrophobicContact CD2-CB 4.35Å; L271-A273 PolarHBondContact O-N 2.94Å; L271-L324 HydrophobicContact CD2-CD1 3.74Å; L271-W375 HydrophobicContact CD2-CZ2 4.2Å; L271-W375 HydrophobicContact CG-CZ2 4.26Å; L271-W375 PolarHBondContact O-NE1 2.76Å
272	S	95.1	Very high	94.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.007	22%	0.222	C	C	.	.			trans	-72	116	-175.4	174.4	0	0	0	0	112.7	F265 E267 I270 S274 K275 M276	F265-S272 VanDerWaalsContact O-CB 3.29Å; F265-S272 WeakPolarHBondContact O-CB 3.46Å; F265-S272 PolarHBondContact O-N 2.83Å; E267-S272 WeakPolarHBondContact OE1-CB 2.86Å; E267-S272 PolarHBondContact OE1-OG 2.8Å; I270-S272 PolarHBondContact O-N 3.01Å; S272-S274 VanDerWaalsContact C-N 3.33Å; S272-S274 PolarHBondContact O-N 3.22Å; S272-K275 PolarHBondContact OG-N 3.24Å; S272-M276 PolarHBondContact O-N 2.56Å; S272-M276 VanDerWaalsContact O-N 3.15Å
273	A	95.9	Very high	94.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.2	-43.2	174.2	0	0	0	0	0	112	L271 L277 P361 W375	L271-A273 PolarHBondContact O-N 2.94Å; A273-L277 WeakPolarHBondContact O-CB 3.14Å; A273-L277 PolarHBondContact O-N 3.35Å; A273-P361 HydrophobicContact CB-CB 3.8Å; A273-W375 HydrophobicContact CB-CD2 4.04Å; A273-W375 HydrophobicContact CB-CG 4.32Å; A273-W375 HydrophobicContact CB-CZ2 4.03Å
274	S	93.9	Very high	94.8	Very high	13 Å²	13	42 Å²	42	9%	0.091	21%	0.206	C	C	.	.	H	α-helix	trans	-72.7	-36.8	-177.9	-160.9	0	0	0	0	113.4	S272 S278 E372	S272-S274 VanDerWaalsContact C-N 3.33Å; S272-S274 PolarHBondContact O-N 3.22Å; S274-S278 WeakPolarHBondContact O-CB 3.35Å; S274-S278 PolarHBondContact O-N 3.4Å; S274-S278 PolarHBondContact O-OG 3.27Å; S274-E372 WeakPolarHBondContact CB-O 3.4Å; S274-E372 WeakPolarHBondContact CB-OE2 3.45Å; S274-E372 PolarHBondContact N-O 2.66Å; S274-E372 PolarHBondContact OG-OE2 3.29Å
275	K	95.5	Very high	95	Very high	84 Å²	84	43.1 Å²	43.1	37%	0.365	21%	0.21	S	C	.	.	H	α-helix	trans	-59.4	-54.2	170.6	-77.1	-177.6	178.5	177.8	0	111	F265 L266 E267 S272 L277 S278 Q279	F265-K275 HydrophobicContact CB-CB 4.24Å; F265-K275 HydrophobicContact CD1-CB 4.15Å; L266-K275 PolarHBondContact O-NZ 2.86Å; E267-K275 VanDerWaalsContact CD-CE 3.48Å; E267-K275 HydrophobicContact CG-CD 3.99Å; E267-K275 VanDerWaalsContact CG-CE 3.41Å; E267-K275 WeakPolarHBondContact OE1-CD 3.42Å; E267-K275 WeakPolarHBondContact OE1-CE 3.32Å; E267-K275 WeakPolarHBondContact OE1-CG 3.14Å; E267-K275 IonicContact OE1-NZ 2.69Å; S272-K275 PolarHBondContact OG-N 3.24Å; K275-L277 PolarHBondContact O-N 3.1Å; K275-S278 PolarHBondContact O-N 3Å; K275-S278 VanDerWaalsContact O-N 3.1Å; K275-Q279 PolarHBondContact O-N 3.37Å
276	M	96.4	Very high	95	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-42.5	-176.2	-168.8	171.6	-167.2	0	0	112.2	F203 L232 L262 F265 S272 S278 Q279 F280 L322 L324 W375	F203-M276 HydrophobicContact CD1-CE 4.36Å; F203-M276 HydrophobicContact CE1-CE 3.71Å; F203-M276 HydrophobicContact CE1-CG 4.29Å; F203-M276 HydrophobicContact CZ-CE 4.28Å; F203-M276 HydrophobicContact CZ-CG 4.2Å; L232-M276 HydrophobicContact CD2-CE 3.56Å; L262-M276 HydrophobicContact CD2-CE 3.42Å; L262-M276 VanDerWaalsContact CD2-CE 3.42Å; L262-M276 HydrophobicContact CD2-SD 4.34Å; F265-M276 HydrophobicContact CB-CB 4.32Å; F265-M276 HydrophobicContact CD1-CB 4.49Å; F265-M276 HydrophobicContact CD2-CB 3.79Å; F265-M276 HydrophobicContact CD2-CE 4.37Å; F265-M276 HydrophobicContact CD2-CG 3.61Å; F265-M276 HydrophobicContact CD2-SD 4.02Å; F265-M276 HydrophobicContact CE2-CB 4.18Å; F265-M276 HydrophobicContact CE2-CE 4.18Å; F265-M276 HydrophobicContact CE2-CG 3.65Å; F265-M276 HydrophobicContact CE2-SD 4.31Å; F265-M276 HydrophobicContact CG-CB 3.96Å; F265-M276 HydrophobicContact CG-CG 4.29Å; F265-M276 HydrophobicContact CZ-CG 4.38Å; S272-M276 PolarHBondContact O-N 2.56Å; S272-M276 VanDerWaalsContact O-N 3.15Å; M276-S278 VanDerWaalsContact C-N 3.28Å; M276-S278 PolarHBondContact O-N 3.14Å; M276-Q279 PolarHBondContact O-N 2.93Å; M276-F280 VanDerWaalsContact O-CB 3.24Å; M276-F280 WeakPolarHBondContact O-CB 2.95Å; M276-F280 PolarHBondContact O-N 3.33Å; M276-L322 HydrophobicContact CE-CD2 4.12Å; M276-L322 HydrophobicContact CG-CD2 3.78Å; M276-L322 HydrophobicContact SD-CD2 4.1Å; M276-L324 HydrophobicContact CE-CD2 4.1Å; M276-L324 HydrophobicContact SD-CD2 4.09Å; M276-W375 HydrophobicContact CB-CH2 4.43Å; M276-W375 HydrophobicContact CB-CZ2 4.48Å; M276-W375 HydrophobicContact SD-CH2 3.77Å; M276-W375 HydrophobicContact SD-CZ2 4.13Å
277	L	96.1	Very high	95.1	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-64.6	-30.7	174.4	179.5	59.7	0	0	0	112.5	A273 K275 F280 R281 P306 V308 P361	A273-L277 WeakPolarHBondContact O-CB 3.14Å; A273-L277 PolarHBondContact O-N 3.35Å; K275-L277 PolarHBondContact O-N 3.1Å; L277-F280 HydrophobicContact CD1-CD1 4.27Å; L277-R281 VanDerWaalsContact O-CB 3.23Å; L277-R281 WeakPolarHBondContact O-CB 3.38Å; L277-R281 PolarHBondContact O-N 3.42Å; L277-P306 WeakPolarHBondContact CD1-O 3.44Å; L277-V308 HydrophobicContact CD1-CG2 4.43Å; L277-P361 HydrophobicContact CB-CB 4.17Å; L277-P361 HydrophobicContact CB-CG 4.21Å; L277-P361 HydrophobicContact CD1-CG 4.09Å; L277-P361 HydrophobicContact CD2-CB 4.26Å; L277-P361 HydrophobicContact CD2-CG 4.15Å; L277-P361 HydrophobicContact CG-CG 4.37Å
278	S	95.7	Very high	95.3	Very high	56 Å²	56	43.5 Å²	43.5	39%	0.392	21%	0.211	S	C	.	.	H	α-helix	trans	-76.2	-40.7	178.9	-60.7	0	0	0	0	112.3	S274 K275 M276 R281 K282	S274-S278 WeakPolarHBondContact O-CB 3.35Å; S274-S278 PolarHBondContact O-N 3.4Å; S274-S278 PolarHBondContact O-OG 3.27Å; K275-S278 PolarHBondContact O-N 3Å; K275-S278 VanDerWaalsContact O-N 3.1Å; M276-S278 VanDerWaalsContact C-N 3.28Å; M276-S278 PolarHBondContact O-N 3.14Å; S278-R281 PolarHBondContact O-N 3.04Å; S278-K282 WeakPolarHBondContact O-CB 3.04Å; S278-K282 PolarHBondContact O-N 3.49Å
279	Q	97	Very high	95.5	Very high	36 Å²	36	41.4 Å²	41.4	17%	0.168	20%	0.2	C	C	.	.	H	α-helix	trans	-64.9	-45.3	170.6	177.1	65.5	-1.6	0	0	111.1	F203 F265 K275 M276 R281 K282 I283	F203-Q279 HydrophobicContact CE2-CG 4.03Å; F265-Q279 HydrophobicContact CE1-CB 3.66Å; F265-Q279 HydrophobicContact CE1-CG 3.92Å; F265-Q279 HydrophobicContact CZ-CB 3.89Å; F265-Q279 HydrophobicContact CZ-CG 3.82Å; K275-Q279 PolarHBondContact O-N 3.37Å; M276-Q279 PolarHBondContact O-N 2.93Å; Q279-R281 VanDerWaalsContact C-N 3.3Å; Q279-R281 PolarHBondContact O-N 3.28Å; Q279-K282 WeakPolarHBondContact O-CB 3.27Å; Q279-K282 PolarHBondContact O-N 2.94Å; Q279-I283 HydrophobicContact CG-CD1 3.93Å; Q279-I283 WeakPolarHBondContact O-CD1 3.33Å; Q279-I283 WeakPolarHBondContact O-CG1 3.29Å; Q279-I283 PolarHBondContact O-N 3.37Å
280	F	97.6	Very high	95.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-54.1	-45.1	173.5	-179.4	-105.2	0	0	0	112.3	L197 F203 F230 M276 L277 I284 V308 I320 L322	L197-F280 HydrophobicContact CD1-CD2 4.32Å; L197-F280 HydrophobicContact CD1-CE2 3.69Å; L197-F280 HydrophobicContact CD1-CZ 4.47Å; L197-F280 HydrophobicContact CD2-CD2 3.85Å; L197-F280 HydrophobicContact CD2-CE2 4.07Å; F203-F280 HydrophobicContact CD1-CD2 4.35Å; F203-F280 HydrophobicContact CE1-CB 4.28Å; F203-F280 AromaticContact CE1-CD2 3.98Å; F203-F280 HydrophobicContact CE1-CD2 3.98Å; F203-F280 HydrophobicContact CZ-CB 4.03Å; F203-F280 HydrophobicContact CZ-CD2 4.42Å; F230-F280 HydrophobicContact CB-CZ 4.46Å; F230-F280 AromaticContact CD2-CE2 3.96Å; F230-F280 HydrophobicContact CD2-CE2 3.96Å; F230-F280 AromaticContact CD2-CZ 3.85Å; F230-F280 HydrophobicContact CD2-CZ 3.85Å; M276-F280 VanDerWaalsContact O-CB 3.24Å; M276-F280 WeakPolarHBondContact O-CB 2.95Å; M276-F280 PolarHBondContact O-N 3.33Å; L277-F280 HydrophobicContact CD1-CD1 4.27Å; F280-I284 HydrophobicContact CD1-CD1 3.92Å; F280-I284 HydrophobicContact CE1-CD1 3.5Å; F280-I284 HydrophobicContact CE2-CD1 4.2Å; F280-I284 HydrophobicContact CG-CD1 4.44Å; F280-I284 HydrophobicContact CZ-CD1 3.67Å; F280-I284 WeakPolarHBondContact O-CG1 3.29Å; F280-I284 PolarHBondContact O-N 3.42Å; F280-I284 VanDerWaalsContact O-N 3.16Å; F280-V308 HydrophobicContact CD1-CG2 3.99Å; F280-V308 HydrophobicContact CE1-CG2 4.12Å; F280-I320 HydrophobicContact CE1-CG2 4.22Å; F280-I320 HydrophobicContact CZ-CG2 3.88Å; F280-L322 HydrophobicContact CB-CD2 4.31Å; F280-L322 HydrophobicContact CD1-CB 4.12Å; F280-L322 HydrophobicContact CD2-CB 4.3Å; F280-L322 HydrophobicContact CD2-CD1 4.18Å; F280-L322 HydrophobicContact CD2-CD2 4.31Å; F280-L322 HydrophobicContact CE1-CB 4Å; F280-L322 HydrophobicContact CE2-CB 4.18Å; F280-L322 HydrophobicContact CE2-CD1 4.08Å; F280-L322 HydrophobicContact CG-CB 4.26Å; F280-L322 HydrophobicContact CG-CD2 4.26Å; F280-L322 HydrophobicContact CZ-CB 4.02Å
281	R	97.3	Very high	95.6	Very high	41 Å²	41	39.3 Å²	39.3	16%	0.155	19%	0.193	C	C	.	.	H	α-helix	trans	-69.2	-31.4	176	-175.3	175.4	171.4	91.5	6	113.2	L277 S278 Q279 K285 M298 K299 V308	L277-R281 VanDerWaalsContact O-CB 3.23Å; L277-R281 WeakPolarHBondContact O-CB 3.38Å; L277-R281 PolarHBondContact O-N 3.42Å; S278-R281 PolarHBondContact O-N 3.04Å; Q279-R281 VanDerWaalsContact C-N 3.3Å; Q279-R281 PolarHBondContact O-N 3.28Å; R281-K285 WeakPolarHBondContact O-CB 3.21Å; R281-K285 PolarHBondContact O-N 3.14Å; R281-M298 HydrophobicContact CG-SD 3.76Å; R281-M298 PolarHBondContact NH2-SD 3.42Å; R281-M298 VanDerWaalsContact NH2-SD 3.44Å; R281-K299 PolarHBondContact NH1-O 3.23Å; R281-K299 PolarHBondContact NH2-O 3.09Å; R281-V308 HydrophobicContact CB-CG2 3.84Å; R281-V308 HydrophobicContact CG-CG1 4.31Å; R281-V308 HydrophobicContact CG-CG2 3.98Å
282	K	97.2	Very high	95.2	Very high	103 Å²	103	48.3 Å²	48.3	45%	0.448	23%	0.232	S	C	.	.	H	α-helix	trans	-63.9	-52.5	173.8	178.1	-167.3	164	-166.4	0	110.4	S278 Q279 I284 K285 E286	S278-K282 WeakPolarHBondContact O-CB 3.04Å; S278-K282 PolarHBondContact O-N 3.49Å; Q279-K282 WeakPolarHBondContact O-CB 3.27Å; Q279-K282 PolarHBondContact O-N 2.94Å; K282-I284 VanDerWaalsContact C-N 3.32Å; K282-I284 PolarHBondContact O-N 3.33Å; K282-K285 WeakPolarHBondContact O-CA 3.49Å; K282-K285 WeakPolarHBondContact O-CB 3.46Å; K282-K285 PolarHBondContact O-N 2.68Å; K282-E286 WeakPolarHBondContact CE-OE1 3.47Å; K282-E286 VanDerWaalsContact CG-OE1 3.3Å; K282-E286 WeakPolarHBondContact CG-OE1 3.25Å; K282-E286 PolarHBondContact O-N 2.67Å
283	I	97.4	Very high	94.8	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-58.1	-45.1	-179.9	-60.2	151.8	0	0	0	110.6	R196 L197 E200 F203 Q279 E286 E287	R196-I283 HydrophobicContact CG-CG2 4.14Å; L197-I283 HydrophobicContact CD2-CB 4.15Å; L197-I283 HydrophobicContact CD2-CD1 4.08Å; L197-I283 HydrophobicContact CD2-CG2 3.82Å; L197-I283 HydrophobicContact CG-CG2 4.29Å; E200-I283 HydrophobicContact CB-CD1 4.24Å; E200-I283 HydrophobicContact CG-CD1 3.73Å; E200-I283 HydrophobicContact CG-CG1 3.99Å; E200-I283 HydrophobicContact CG-CG2 4.17Å; F203-I283 HydrophobicContact CD2-CD1 3.69Å; F203-I283 HydrophobicContact CE2-CD1 3.53Å; Q279-I283 HydrophobicContact CG-CD1 3.93Å; Q279-I283 WeakPolarHBondContact O-CD1 3.33Å; Q279-I283 WeakPolarHBondContact O-CG1 3.29Å; Q279-I283 PolarHBondContact O-N 3.37Å; I283-E286 PolarHBondContact O-N 2.9Å; I283-E287 WeakPolarHBondContact O-CB 3.26Å; I283-E287 PolarHBondContact O-N 2.76Å
284	I	97.3	Very high	94.6	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-42.7	174.6	-67.8	171.5	0	0	0	111.5	L193 F280 K282 E286 E287 I288 V308 L310 I320	L193-I284 HydrophobicContact CD1-CG2 4.39Å; L193-I284 HydrophobicContact CD2-CB 4.42Å; L193-I284 HydrophobicContact CD2-CG1 4.33Å; L193-I284 HydrophobicContact CD2-CG2 4.08Å; F280-I284 HydrophobicContact CD1-CD1 3.92Å; F280-I284 HydrophobicContact CE1-CD1 3.5Å; F280-I284 HydrophobicContact CE2-CD1 4.2Å; F280-I284 HydrophobicContact CG-CD1 4.44Å; F280-I284 HydrophobicContact CZ-CD1 3.67Å; F280-I284 WeakPolarHBondContact O-CG1 3.29Å; F280-I284 PolarHBondContact O-N 3.42Å; F280-I284 VanDerWaalsContact O-N 3.16Å; K282-I284 VanDerWaalsContact C-N 3.32Å; K282-I284 PolarHBondContact O-N 3.33Å; I284-E286 VanDerWaalsContact C-N 3.29Å; I284-E286 PolarHBondContact O-N 3.43Å; I284-E287 PolarHBondContact O-N 2.75Å; I284-I288 HydrophobicContact CG2-CG2 4.37Å; I284-I288 WeakPolarHBondContact O-CG2 3.31Å; I284-I288 PolarHBondContact O-N 2.79Å; I284-I288 VanDerWaalsContact O-N 3.12Å; I284-V308 HydrophobicContact CD1-CB 4.3Å; I284-V308 HydrophobicContact CD1-CG1 4.28Å; I284-V308 HydrophobicContact CD1-CG2 4.38Å; I284-V308 HydrophobicContact CG2-CG1 3.98Å; I284-L310 HydrophobicContact CG2-CD2 4.09Å; I284-I320 HydrophobicContact CD1-CG2 4.31Å
285	K	96.7	Very high	94.6	Very high	125 Å²	125	59.6 Å²	59.6	54%	0.543	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-39.1	177.4	-176.5	-172.2	175.3	-151	0	111.7	R281 K282 I288 N289 M298	R281-K285 WeakPolarHBondContact O-CB 3.21Å; R281-K285 PolarHBondContact O-N 3.14Å; K282-K285 WeakPolarHBondContact O-CA 3.49Å; K282-K285 WeakPolarHBondContact O-CB 3.46Å; K282-K285 PolarHBondContact O-N 2.68Å; K285-I288 VanDerWaalsContact O-CG1 3.27Å; K285-I288 WeakPolarHBondContact O-CG1 3.18Å; K285-N289 PolarHBondContact O-ND2 2.66Å; K285-M298 HydrophobicContact CB-CE 3.62Å; K285-M298 HydrophobicContact CB-SD 4.27Å; K285-M298 HydrophobicContact CD-CE 3.97Å; K285-M298 HydrophobicContact CG-CE 3.6Å
286	E	95.8	Very high	94.7	Very high	83 Å²	83	56.3 Å²	56.3	39%	0.388	28%	0.28	S	S	.	.	H	α-helix	trans	-69.4	-46.2	179.7	-73.6	164.6	-176.6	0	0	110.5	K282 I283 I284 I288 N289	K282-E286 WeakPolarHBondContact CE-OE1 3.47Å; K282-E286 VanDerWaalsContact CG-OE1 3.3Å; K282-E286 WeakPolarHBondContact CG-OE1 3.25Å; K282-E286 PolarHBondContact O-N 2.67Å; I283-E286 PolarHBondContact O-N 2.9Å; I284-E286 VanDerWaalsContact C-N 3.29Å; I284-E286 PolarHBondContact O-N 3.43Å; E286-I288 PolarHBondContact O-N 3.09Å; E286-N289 PolarHBondContact O-N 3.2Å; E286-N289 PolarHBondContact O-ND2 3.43Å
287	E	95.8	Very high	94.7	Very high	21 Å²	21	60 Å²	60	10%	0.098	30%	0.299	C	S	.	.	H	α-helix	trans	-69.5	-33.1	-176	-171.2	58.4	-173.4	0	0	114.8	L193 R196 I283 I284 N289 N290 I291	L193-E287 HydrophobicContact CD2-CB 3.83Å; L193-E287 HydrophobicContact CD2-CG 3.82Å; R196-E287 HydrophobicContact CB-CB 4.3Å; R196-E287 HydrophobicContact CB-CG 3.68Å; R196-E287 WeakPolarHBondContact CD-OE2 3.39Å; R196-E287 HydrophobicContact CG-CB 3.92Å; R196-E287 HydrophobicContact CG-CG 3.8Å; R196-E287 WeakPolarHBondContact CG-OE2 3.21Å; R196-E287 IonicContact NE-OE2 2.72Å; I283-E287 WeakPolarHBondContact O-CB 3.26Å; I283-E287 PolarHBondContact O-N 2.76Å; I284-E287 PolarHBondContact O-N 2.75Å; E287-N289 PolarHBondContact O-N 2.82Å; E287-N289 VanDerWaalsContact O-N 3.09Å; E287-N290 WeakPolarHBondContact O-CB 3.49Å; E287-N290 PolarHBondContact O-N 2.91Å; E287-N290 PolarHBondContact OE2-ND2 2.92Å; E287-I291 PolarHBondContact O-N 2.89Å
288	I	94.9	Very high	94.7	Very high	17 Å²	17	61.4 Å²	61.4	9%	0.087	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.7	178.7	57.5	164	0	0	0	113.3	L193 I284 K285 E286 N290 V296 M298 L310	L193-I288 HydrophobicContact CD2-CG2 4.22Å; I284-I288 HydrophobicContact CG2-CG2 4.37Å; I284-I288 WeakPolarHBondContact O-CG2 3.31Å; I284-I288 PolarHBondContact O-N 2.79Å; I284-I288 VanDerWaalsContact O-N 3.12Å; K285-I288 VanDerWaalsContact O-CG1 3.27Å; K285-I288 WeakPolarHBondContact O-CG1 3.18Å; E286-I288 PolarHBondContact O-N 3.09Å; I288-N290 VanDerWaalsContact C-N 3.33Å; I288-V296 HydrophobicContact CB-CB 4.33Å; I288-V296 HydrophobicContact CB-CG1 4.09Å; I288-V296 HydrophobicContact CG2-CB 4.32Å; I288-V296 HydrophobicContact CG2-CG1 3.58Å; I288-M298 HydrophobicContact CD1-CB 3.73Å; I288-L310 HydrophobicContact CG2-CD1 4.4Å; I288-L310 HydrophobicContact CG2-CD2 4.36Å
289	N	92.1	Very high	94.7	Very high	117 Å²	117	62.1 Å²	62.1	63%	0.626	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.2	174.7	-35.6	-77.2	0	0	0	112.6	K285 E286 E287	K285-N289 PolarHBondContact O-ND2 2.66Å; E286-N289 PolarHBondContact O-N 3.2Å; E286-N289 PolarHBondContact O-ND2 3.43Å; E287-N289 PolarHBondContact O-N 2.82Å; E287-N289 VanDerWaalsContact O-N 3.09Å
290	N	92.1	Very high	94.5	Very high	99 Å²	99	71.4 Å²	71.4	53%	0.529	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-20.8	175.7	-61.7	-28.5	0	0	0	111.8	E287 I288 K292	E287-N290 WeakPolarHBondContact O-CB 3.49Å; E287-N290 PolarHBondContact O-N 2.91Å; E287-N290 PolarHBondContact OE2-ND2 2.92Å; I288-N290 VanDerWaalsContact C-N 3.33Å; N290-K292 PolarHBondContact O-N 2.89Å
291	I	92.8	Very high	94.1	Very high	20 Å²	20	75.4 Å²	75.4	10%	0.103	35%	0.352	C	S	.	.			trans	-77.9	102.1	177.5	-57.6	176.3	0	0	0	108.9	V189 H192 E287 V296	V189-I291 HydrophobicContact CG1-CD1 4Å; H192-I291 HydrophobicContact CB-CD1 4.11Å; H192-I291 HydrophobicContact CB-CG1 4.3Å; E287-I291 PolarHBondContact O-N 2.89Å; I291-V296 HydrophobicContact CG2-CG2 4.37Å
292	K	87.3	Confident	93.6	Very high	189 Å²	189	81.8 Å²	81.8	82%	0.822	38%	0.376	S	S	*	.			trans	-86.6	-32.7	-175.9	-65	179.9	-177.8	178	0	114	N290 T294	N290-K292 PolarHBondContact O-N 2.89Å; K292-T294 VanDerWaalsContact C-N 3.3Å; K292-T294 PolarHBondContact O-N 3.14Å
293	D	86.6	Confident	92.9	Very high	158 Å²	158	85 Å²	85	85%	0.845	39%	0.386	S	S	*	.	S	Bend	trans	-89.5	13.3	-168.6	-50.7	-55.8	0	0	0	113.7
294	T	92.3	Very high	92.2	Very high	38 Å²	38	85.6 Å²	85.6	23%	0.233	39%	0.392	C	S	.	.	S	Bend	trans	-158.5	133.8	-175.1	-63.9	0	0	0	0	110.5	V185 V189 K292 V296 I312 N313	V185-T294 HydrophobicContact CG1-CG2 4.26Å; V189-T294 HydrophobicContact CG2-CG2 3.95Å; K292-T294 VanDerWaalsContact C-N 3.3Å; K292-T294 PolarHBondContact O-N 3.14Å; T294-V296 HydrophobicContact CG2-CG2 3.72Å; T294-V296 PolarHBondContact O-N 2.85Å; T294-I312 HydrophobicContact CG2-CG2 3.35Å; T294-N313 WeakPolarHBondContact CG2-OD1 3.39Å
295	D	94.1	Very high	91.7	Very high	56 Å²	56	86.8 Å²	86.8	30%	0.299	40%	0.4	S	S	.	.			trans	-76.8	106	177.2	177.4	9.6	0	0	0	109.4	I312 N313 K314	D295-I312 CarbonylContact O-C 3.51Å; D295-I312 WeakPolarHBondContact O-CA 3.4Å; D295-N313 PolarHBondContact N-OD1 2.86Å; D295-N313 VanDerWaalsContact N-OD1 3.14Å; D295-N313 PolarHBondContact O-N 3.11Å; D295-K314 WeakPolarHBondContact OD2-CE 3.24Å; D295-K314 IonicContact OD2-NZ 3.18Å; D295-K314 PolarHBondContact OD2-NZ 2.65Å
296	V	96.7	Very high	91.5	Very high	15 Å²	15	81.9 Å²	81.9	9%	0.091	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	106.6	-176.2	-172.9	0	0	0	0	111.5	V189 I288 I291 T294 L310 I312	V189-V296 HydrophobicContact CG1-CG1 4.26Å; V189-V296 HydrophobicContact CG1-CG2 4.2Å; V189-V296 HydrophobicContact CG2-CG2 3.83Å; I288-V296 HydrophobicContact CB-CB 4.33Å; I288-V296 HydrophobicContact CB-CG1 4.09Å; I288-V296 HydrophobicContact CG2-CB 4.32Å; I288-V296 HydrophobicContact CG2-CG1 3.58Å; I291-V296 HydrophobicContact CG2-CG2 4.37Å; T294-V296 HydrophobicContact CG2-CG2 3.72Å; T294-V296 PolarHBondContact O-N 2.85Å; V296-L310 HydrophobicContact CG1-CB 4.35Å; V296-L310 HydrophobicContact CG1-CD1 3.98Å; V296-I312 HydrophobicContact CG1-CG1 4.4Å; V296-I312 HydrophobicContact CG2-CG1 4.42Å; V296-I312 HydrophobicContact CG2-CG2 4.45Å
297	I	95.4	Very high	91.5	Very high	77 Å²	77	78.5 Å²	78.5	40%	0.395	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.8	-178	-56.2	173	0	0	0	110.1	K299 L310 L311	I297-K299 PolarHBondContact O-N 3.24Å; I297-L310 CarbonylContact O-C 3.56Å; I297-L311 HydrophobicContact CB-CB 4.41Å; I297-L311 PolarHBondContact N-O 3.29Å; I297-L311 PolarHBondContact O-N 2.81Å
298	M	96.3	Very high	91.5	Very high	35 Å²	35	77.5 Å²	77.5	17%	0.172	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	117.7	172.3	-179.6	-175.9	57.6	0	0	111.4	R281 K285 I288 V308 L310	R281-M298 HydrophobicContact CG-SD 3.76Å; R281-M298 PolarHBondContact NH2-SD 3.42Å; R281-M298 VanDerWaalsContact NH2-SD 3.44Å; K285-M298 HydrophobicContact CB-CE 3.62Å; K285-M298 HydrophobicContact CB-SD 4.27Å; K285-M298 HydrophobicContact CD-CE 3.97Å; K285-M298 HydrophobicContact CG-CE 3.6Å; I288-M298 HydrophobicContact CD1-CB 3.73Å; M298-V308 HydrophobicContact CG-CG1 4.05Å; M298-V308 HydrophobicContact SD-CG1 3.81Å; M298-L310 HydrophobicContact CB-CD2 3.72Å; M298-L310 HydrophobicContact CG-CD2 3.98Å
299	K	95.7	Very high	91.6	Very high	71 Å²	71	77.2 Å²	77.2	31%	0.309	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-69	154.2	176.7	-51.1	-172.8	-167.5	166.4	0	111.1	R281 I297 T309 L311 S317	R281-K299 PolarHBondContact NH1-O 3.23Å; R281-K299 PolarHBondContact NH2-O 3.09Å; I297-K299 PolarHBondContact O-N 3.24Å; K299-T309 HydrophobicContact CB-CG2 4.33Å; K299-T309 HydrophobicContact CD-CG2 3.54Å; K299-T309 HydrophobicContact CG-CG2 4.01Å; K299-T309 PolarHBondContact N-O 3.11Å; K299-L311 HydrophobicContact CG-CB 4.42Å; K299-S317 PolarHBondContact NZ-OG 2.96Å
300	R	93.6	Very high	91.8	Very high	232 Å²	232	71.6 Å²	71.6	88%	0.875	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-57.3	139	-179.3	-174.3	175.3	-179.9	171.3	1.5	112.1	R302	R300-R302 PolarHBondContact O-N 3.4Å; R300-R302 VanDerWaalsContact O-N 3.13Å
301	K	89.3	Confident	92.1	Very high	84 Å²	84	68.7 Å²	68.7	37%	0.365	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-55.1	116	175.5	-174.8	179.3	-178.6	-178.8	0	109.1
302	R	86.1	Confident	92.2	Very high	175 Å²	175	67.8 Å²	67.8	66%	0.66	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-78.4	131.9	169.4	-70.1	175.2	170.9	175.4	-5.7	108.3	R300 G304 S305	R300-R302 PolarHBondContact O-N 3.4Å; R300-R302 VanDerWaalsContact O-N 3.13Å; R302-G304 PolarHBondContact O-N 3.01Å; R302-S305 VanDerWaalsContact O-CB 3.29Å; R302-S305 WeakPolarHBondContact O-CB 3.28Å; R302-S305 PolarHBondContact O-N 2.94Å; R302-S305 VanDerWaalsContact O-N 3.1Å
303	R	82.9	Confident	92.5	Very high	171 Å²	171	62 Å²	62	65%	0.645	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	130.5	-179.2	-165.5	-178	-177.2	-141.7	-0.8	109.8	S305 N368 F370	R303-S305 VanDerWaalsContact C-N 3.27Å; R303-S305 PolarHBondContact O-N 2.96Å; R303-N368 PolarHBondContact NH1-O 2.82Å; R303-N368 PolarHBondContact NH2-O 3.27Å; R303-F370 HydrophobicContact CG-CD2 4Å; R303-F370 HydrophobicContact CG-CE2 3.72Å
304	G	81.6	Confident	92.7	Very high	13 Å²	13	61.2 Å²	61.2	13%	0.134	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	11.8	-176.6	0	0	0	0	0	116	R302	R302-G304 PolarHBondContact O-N 3.01Å
305	S	87.6	Confident	92.6	Very high	27 Å²	27	66.5 Å²	66.5	19%	0.189	30%	0.301	C	S	.	.			trans	-87.7	127.9	172.8	-175.6	0	0	0	0	111.3	R302 R303 A307	R302-S305 VanDerWaalsContact O-CB 3.29Å; R302-S305 WeakPolarHBondContact O-CB 3.28Å; R302-S305 PolarHBondContact O-N 2.94Å; R302-S305 VanDerWaalsContact O-N 3.1Å; R303-S305 VanDerWaalsContact C-N 3.27Å; R303-S305 PolarHBondContact O-N 2.96Å; S305-A307 VanDerWaalsContact C-N 3.27Å; S305-A307 PolarHBondContact O-N 2.81Å; S305-A307 PolarHBondContact OG-N 3.13Å
306	P	93.1	Very high	92.5	Very high	21 Å²	21	64.6 Å²	64.6	14%	0.136	29%	0.29	C	S	.	.			trans	-77.9	-10.4	174.1	34.1	-37.1	0	0	0	113.4	L277 T321 P361 K362	L277-P306 WeakPolarHBondContact CD1-O 3.44Å; P306-T321 HydrophobicContact CB-CG2 4.25Å; P306-P361 WeakPolarHBondContact CA-O 3.29Å; P306-P361 HydrophobicContact CB-CG 4.19Å; P306-P361 WeakPolarHBondContact CB-O 3.16Å; P306-K362 HydrophobicContact CB-CB 4.04Å; P306-K362 HydrophobicContact CG-CB 4.09Å
307	A	95.3	Very high	92.4	Very high	12 Å²	12	64.8 Å²	64.8	10%	0.099	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	141	-171.8	0	0	0	0	0	112.9	S305 D319 I320	S305-A307 VanDerWaalsContact C-N 3.27Å; S305-A307 PolarHBondContact O-N 2.81Å; S305-A307 PolarHBondContact OG-N 3.13Å; A307-D319 HydrophobicContact CB-CB 3.98Å; A307-I320 CarbonylContact C-O 3.54Å; A307-I320 WeakPolarHBondContact CA-O 3.3Å
308	V	96.7	Very high	92.4	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	96.5	164.4	-179.4	0	0	0	0	107.9	L277 F280 R281 I284 M298 L310 I320	L277-V308 HydrophobicContact CD1-CG2 4.43Å; F280-V308 HydrophobicContact CD1-CG2 3.99Å; F280-V308 HydrophobicContact CE1-CG2 4.12Å; R281-V308 HydrophobicContact CB-CG2 3.84Å; R281-V308 HydrophobicContact CG-CG1 4.31Å; R281-V308 HydrophobicContact CG-CG2 3.98Å; I284-V308 HydrophobicContact CD1-CB 4.3Å; I284-V308 HydrophobicContact CD1-CG1 4.28Å; I284-V308 HydrophobicContact CD1-CG2 4.38Å; I284-V308 HydrophobicContact CG2-CG1 3.98Å; M298-V308 HydrophobicContact CG-CG1 4.05Å; M298-V308 HydrophobicContact SD-CG1 3.81Å; V308-L310 HydrophobicContact CG1-CD2 4.35Å; V308-I320 PolarHBondContact N-O 3.09Å; V308-I320 PolarHBondContact O-N 3.36Å; V308-I320 VanDerWaalsContact O-N 3.09Å
309	T	96.6	Very high	92.4	Very high	10 Å²	10	61.9 Å²	61.9	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	124.3	176.7	-45.8	0	0	0	0	111.6	K299 S317 V318 D319	K299-T309 HydrophobicContact CB-CG2 4.33Å; K299-T309 HydrophobicContact CD-CG2 3.54Å; K299-T309 HydrophobicContact CG-CG2 4.01Å; K299-T309 PolarHBondContact N-O 3.11Å; T309-S317 WeakPolarHBondContact CG2-OG 3.49Å; T309-V318 CarbonylContact C-O 3.55Å; T309-V318 WeakPolarHBondContact CA-O 3.43Å; T309-D319 WeakPolarHBondContact CA-OD1 3.49Å; T309-D319 WeakPolarHBondContact CB-OD1 3.39Å; T309-D319 WeakPolarHBondContact CG2-OD1 3.22Å; T309-D319 PolarHBondContact OG1-OD1 2.94Å
310	L	96.8	Very high	92.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	161.1	166.2	-53.7	-176.6	0	0	0	110.7	V189 L193 I284 I288 V296 I297 M298 V308 S317 V318 I320	V189-L310 HydrophobicContact CG1-CD1 4.26Å; L193-L310 HydrophobicContact CD1-CD1 3.68Å; I284-L310 HydrophobicContact CG2-CD2 4.09Å; I288-L310 HydrophobicContact CG2-CD1 4.4Å; I288-L310 HydrophobicContact CG2-CD2 4.36Å; V296-L310 HydrophobicContact CG1-CB 4.35Å; V296-L310 HydrophobicContact CG1-CD1 3.98Å; I297-L310 CarbonylContact O-C 3.56Å; M298-L310 HydrophobicContact CB-CD2 3.72Å; M298-L310 HydrophobicContact CG-CD2 3.98Å; V308-L310 HydrophobicContact CG1-CD2 4.35Å; L310-S317 WeakPolarHBondContact O-CA 3.42Å; L310-V318 HydrophobicContact CB-CB 4.47Å; L310-V318 PolarHBondContact N-O 3.14Å; L310-V318 PolarHBondContact O-N 3.23Å; L310-I320 HydrophobicContact CD1-CD1 3.67Å; L310-I320 HydrophobicContact CG-CD1 4.25Å
311	L	96.6	Very high	92.6	Very high	37 Å²	37	48.4 Å²	48.4	19%	0.194	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.4	166.8	-173.5	64.8	0	0	0	107.6	I297 K299 I316	I297-L311 HydrophobicContact CB-CB 4.41Å; I297-L311 PolarHBondContact N-O 3.29Å; I297-L311 PolarHBondContact O-N 2.81Å; K299-L311 HydrophobicContact CG-CB 4.42Å; L311-I316 CarbonylContact C-O 3.59Å; L311-I316 WeakPolarHBondContact CA-O 3.44Å
312	I	95.3	Very high	93	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.5	-176.8	-54.2	172.6	0	0	0	109	V185 V186 V189 T294 D295 V296 K314 E315 I316 V318	V185-I312 HydrophobicContact CG1-CG2 3.56Å; V186-I312 HydrophobicContact CG2-CD1 4.27Å; V189-I312 HydrophobicContact CB-CD1 4.01Å; V189-I312 HydrophobicContact CG1-CD1 4.08Å; V189-I312 HydrophobicContact CG2-CD1 4Å; V189-I312 HydrophobicContact CG2-CG2 4.48Å; T294-I312 HydrophobicContact CG2-CG2 3.35Å; D295-I312 CarbonylContact O-C 3.51Å; D295-I312 WeakPolarHBondContact O-CA 3.4Å; V296-I312 HydrophobicContact CG1-CG1 4.4Å; V296-I312 HydrophobicContact CG2-CG1 4.42Å; V296-I312 HydrophobicContact CG2-CG2 4.45Å; I312-K314 PolarHBondContact O-N 2.84Å; I312-K314 VanDerWaalsContact O-N 3.07Å; I312-E315 PolarHBondContact O-N 3.08Å; I312-E315 VanDerWaalsContact O-N 3.14Å; I312-I316 HydrophobicContact CB-CB 4.36Å; I312-I316 PolarHBondContact N-O 2.8Å; I312-I316 PolarHBondContact O-N 3.36Å; I312-V318 HydrophobicContact CD1-CG2 3.62Å; I312-V318 HydrophobicContact CG1-CG2 4.34Å
313	N	93.1	Very high	93.6	Very high	67 Å²	67	36 Å²	36	36%	0.358	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	31.4	-177.1	-61.6	-15.8	0	0	0	113.4	T294 D295 E315	T294-N313 WeakPolarHBondContact CG2-OD1 3.39Å; D295-N313 PolarHBondContact N-OD1 2.86Å; D295-N313 VanDerWaalsContact N-OD1 3.14Å; D295-N313 PolarHBondContact O-N 3.11Å; N313-E315 PolarHBondContact O-N 2.93Å
314	K	90.6	Very high	94.3	Very high	142 Å²	142	27.9 Å²	27.9	62%	0.617	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	-6.3	-174.7	-65.5	157.4	-175.4	128	0	116.2	D295 I312	D295-K314 WeakPolarHBondContact OD2-CE 3.24Å; D295-K314 IonicContact OD2-NZ 3.18Å; D295-K314 PolarHBondContact OD2-NZ 2.65Å; I312-K314 PolarHBondContact O-N 2.84Å; I312-K314 VanDerWaalsContact O-N 3.07Å
315	E	90.6	Very high	95	Very high	150 Å²	150	27.7 Å²	27.7	70%	0.701	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-41.2	-175.2	-68.8	172.6	-178.9	0	0	113.6	I312 N313	I312-E315 PolarHBondContact O-N 3.08Å; I312-E315 VanDerWaalsContact O-N 3.14Å; N313-E315 PolarHBondContact O-N 2.93Å
316	I	93.3	Very high	95.4	Very high	15 Å²	15	26.6 Å²	26.6	8%	0.077	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.8	-167.8	-55.5	171.7	0	0	0	110.8	A182 V186 N224 F226 L311 I312 V318	A182-I316 HydrophobicContact CB-CD1 3.84Å; V186-I316 HydrophobicContact CG2-CG2 3.76Å; N224-I316 CarbonylContact O-C 3.55Å; N224-I316 WeakPolarHBondContact O-CA 3.47Å; F226-I316 HydrophobicContact CD2-CG2 3.67Å; F226-I316 HydrophobicContact CE2-CG2 3.75Å; L311-I316 CarbonylContact C-O 3.59Å; L311-I316 WeakPolarHBondContact CA-O 3.44Å; I312-I316 HydrophobicContact CB-CB 4.36Å; I312-I316 PolarHBondContact N-O 2.8Å; I312-I316 PolarHBondContact O-N 3.36Å; I316-V318 HydrophobicContact CG2-CG2 4.11Å
317	S	94.6	Very high	95.5	Very high	20 Å²	20	31.5 Å²	31.5	14%	0.14	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	135	171.2	-160.5	0	0	0	0	110.8	N224 E225 F226 K299 T309 L310	N224-S317 PolarHBondContact O-N 3.02Å; E225-S317 VanDerWaalsContact CA-O 3.24Å; E225-S317 WeakPolarHBondContact CA-O 2.77Å; F226-S317 PolarHBondContact N-O 3.27Å; K299-S317 PolarHBondContact NZ-OG 2.96Å; T309-S317 WeakPolarHBondContact CG2-OG 3.49Å; L310-S317 WeakPolarHBondContact O-CA 3.42Å
318	V	95.2	Very high	95.3	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	116.5	175.1	-173.9	0	0	0	0	110	V186 F226 V228 T309 L310 I312 I316 I320	V186-V318 HydrophobicContact CG1-CG1 4.42Å; V186-V318 HydrophobicContact CG1-CG2 4.15Å; V186-V318 HydrophobicContact CG2-CG2 3.88Å; F226-V318 HydrophobicContact CB-CG1 4.49Å; F226-V318 WeakPolarHBondContact O-CA 3.47Å; V228-V318 HydrophobicContact CB-CG1 4.38Å; V228-V318 HydrophobicContact CG2-CG1 3.71Å; T309-V318 CarbonylContact C-O 3.55Å; T309-V318 WeakPolarHBondContact CA-O 3.43Å; L310-V318 HydrophobicContact CB-CB 4.47Å; L310-V318 PolarHBondContact N-O 3.14Å; L310-V318 PolarHBondContact O-N 3.23Å; I312-V318 HydrophobicContact CD1-CG2 3.62Å; I312-V318 HydrophobicContact CG1-CG2 4.34Å; I316-V318 HydrophobicContact CG2-CG2 4.11Å; V318-I320 HydrophobicContact CG1-CG1 3.96Å
319	D	95.6	Very high	95.2	Very high	49 Å²	49	39.9 Å²	39.9	26%	0.262	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	97.9	178.1	-91.2	1.7	0	0	0	110	F226 V228 A307 T309	F226-D319 PolarHBondContact O-N 2.78Å; V228-D319 PolarHBondContact N-O 3.46Å; A307-D319 HydrophobicContact CB-CB 3.98Å; T309-D319 WeakPolarHBondContact CA-OD1 3.49Å; T309-D319 WeakPolarHBondContact CB-OD1 3.39Å; T309-D319 WeakPolarHBondContact CG2-OD1 3.22Å; T309-D319 PolarHBondContact OG1-OD1 2.94Å
320	I	96.6	Very high	95.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.3	179.4	-51.9	-178.5	0	0	0	109.6	L193 V228 F230 F280 I284 A307 V308 L310 V318	L193-I320 HydrophobicContact CD1-CD1 3.49Å; L193-I320 VanDerWaalsContact CD1-CD1 3.49Å; V228-I320 HydrophobicContact CB-CG1 4.4Å; V228-I320 CarbonylContact O-C 3.52Å; V228-I320 WeakPolarHBondContact O-CA 3.47Å; F230-I320 HydrophobicContact CD2-CG2 3.85Å; F230-I320 HydrophobicContact CE2-CG2 3.94Å; F230-I320 HydrophobicContact CG-CG2 4.37Å; F280-I320 HydrophobicContact CE1-CG2 4.22Å; F280-I320 HydrophobicContact CZ-CG2 3.88Å; I284-I320 HydrophobicContact CD1-CG2 4.31Å; A307-I320 CarbonylContact C-O 3.54Å; A307-I320 WeakPolarHBondContact CA-O 3.3Å; V308-I320 PolarHBondContact N-O 3.09Å; V308-I320 PolarHBondContact O-N 3.36Å; V308-I320 VanDerWaalsContact O-N 3.09Å; L310-I320 HydrophobicContact CD1-CD1 3.67Å; L310-I320 HydrophobicContact CG-CD1 4.25Å; V318-I320 HydrophobicContact CG1-CG1 3.96Å
321	T	96.9	Very high	95.3	Very high	20 Å²	20	41 Å²	41	12%	0.123	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.7	-178.3	-58.5	0	0	0	0	111.1	V228 M229 F230 P306 V360	V228-T321 PolarHBondContact O-N 2.95Å; M229-T321 CarbonylContact C-O 3.5Å; M229-T321 WeakPolarHBondContact CA-O 3.13Å; M229-T321 HydrophobicContact CE-CG2 4.32Å; F230-T321 PolarHBondContact N-O 2.89Å; P306-T321 HydrophobicContact CB-CG2 4.25Å; T321-V360 HydrophobicContact CG2-CB 4.16Å; T321-V360 HydrophobicContact CG2-CG1 3.81Å
322	L	97.8	Very high	95.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	141	167.8	179.5	65.2	0	0	0	110.3	F203 F230 M276 F280 P361	F203-L322 HydrophobicContact CD1-CD1 4.4Å; F203-L322 HydrophobicContact CE1-CD1 4.2Å; F203-L322 HydrophobicContact CE1-CD2 3.95Å; F230-L322 CarbonylContact O-C 3.57Å; M276-L322 HydrophobicContact CE-CD2 4.12Å; M276-L322 HydrophobicContact CG-CD2 3.78Å; M276-L322 HydrophobicContact SD-CD2 4.1Å; F280-L322 HydrophobicContact CB-CD2 4.31Å; F280-L322 HydrophobicContact CD1-CB 4.12Å; F280-L322 HydrophobicContact CD2-CB 4.3Å; F280-L322 HydrophobicContact CD2-CD1 4.18Å; F280-L322 HydrophobicContact CD2-CD2 4.31Å; F280-L322 HydrophobicContact CE1-CB 4Å; F280-L322 HydrophobicContact CE2-CB 4.18Å; F280-L322 HydrophobicContact CE2-CD1 4.08Å; F280-L322 HydrophobicContact CG-CB 4.26Å; F280-L322 HydrophobicContact CG-CD2 4.26Å; F280-L322 HydrophobicContact CZ-CB 4.02Å; L322-P361 WeakPolarHBondContact O-CD 3.25Å
323	A	98.1	Very high	95.3	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	140.6	174.5	0	0	0	0	0	111.5	M229 F230 K231 L232 Y358 L359 V360	M229-A323 HydrophobicContact CG-CB 3.79Å; M229-A323 HydrophobicContact SD-CB 3.82Å; F230-A323 PolarHBondContact O-N 2.79Å; K231-A323 CarbonylContact C-O 3.52Å; K231-A323 VanDerWaalsContact CA-O 3.25Å; K231-A323 WeakPolarHBondContact CA-O 3.35Å; L232-A323 PolarHBondContact N-O 3.36Å; A323-Y358 HydrophobicContact CB-CD1 4.11Å; A323-L359 CarbonylContact C-O 3.6Å; A323-L359 VanDerWaalsContact CA-O 3.27Å; A323-L359 WeakPolarHBondContact CA-O 3.38Å; A323-V360 HydrophobicContact CB-CG1 4.03Å
324	L	97.6	Very high	95.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	129	169.5	-55.2	-176.8	0	0	0	109.3	L232 V234 L271 M276 L326 Y358 L359 W375	L232-L324 CarbonylContact O-C 3.56Å; L232-L324 WeakPolarHBondContact O-CA 3.18Å; V234-L324 HydrophobicContact CG1-CD2 4Å; V234-L324 HydrophobicContact CG2-CB 3.74Å; L271-L324 HydrophobicContact CD2-CD1 3.74Å; M276-L324 HydrophobicContact CE-CD2 4.1Å; M276-L324 HydrophobicContact SD-CD2 4.09Å; L324-L326 HydrophobicContact CB-CD1 3.89Å; L324-Y358 VanDerWaalsContact O-CA 3.25Å; L324-Y358 WeakPolarHBondContact O-CA 3.49Å; L324-L359 HydrophobicContact CB-CB 4.26Å; L324-L359 PolarHBondContact N-O 3.44Å; L324-L359 PolarHBondContact O-N 3.13Å; L324-W375 HydrophobicContact CD1-CD2 4.06Å; L324-W375 HydrophobicContact CD1-CE3 3.92Å; L324-W375 HydrophobicContact CD1-CH2 3.74Å; L324-W375 HydrophobicContact CD1-CZ2 3.85Å; L324-W375 HydrophobicContact CD1-CZ3 3.77Å; L324-W375 HydrophobicContact CD2-CH2 4.13Å; L324-W375 HydrophobicContact CD2-CZ3 4.26Å; L324-W375 HydrophobicContact CG-CE3 4.04Å; L324-W375 HydrophobicContact CG-CH2 3.83Å; L324-W375 HydrophobicContact CG-CZ2 4.45Å; L324-W375 HydrophobicContact CG-CZ3 3.6Å
325	E	97.9	Very high	95.8	Very high	9 Å²	9	40 Å²	40	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.2	177	-177.5	-173.6	-113.1	0	0	110.3	K231 L232 V234 K327 P356 Y358	K231-E325 HydrophobicContact CB-CB 4.46Å; K231-E325 WeakPolarHBondContact CD-OE1 3.42Å; K231-E325 WeakPolarHBondContact CE-OE1 3.23Å; K231-E325 IonicContact NZ-OE1 3.48Å; K231-E325 PolarHBondContact NZ-OE1 3.29Å; K231-E325 IonicContact NZ-OE2 2.71Å; K231-E325 PolarHBondContact NZ-OE2 2.84Å; L232-E325 PolarHBondContact O-N 3.18Å; V234-E325 PolarHBondContact N-O 2.8Å; E325-K327 WeakPolarHBondContact OE2-CE 3.4Å; E325-K327 IonicContact OE2-NZ 2.77Å; E325-K327 PolarHBondContact OE2-NZ 2.65Å; E325-P356 HydrophobicContact CG-CB 3.77Å; E325-P356 HydrophobicContact CG-CG 4.06Å; E325-Y358 HydrophobicContact CB-CD1 4.09Å; E325-Y358 HydrophobicContact CB-CE1 3.67Å; E325-Y358 HydrophobicContact CG-CD1 4.49Å; E325-Y358 HydrophobicContact CG-CE1 3.76Å; E325-Y358 PolarHBondContact OE1-OH 3.19Å; E325-Y358 VanDerWaalsContact OE1-OH 3.06Å
326	L	96	Very high	96	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114.1	-179	-77.1	77	0	0	0	110.5	V234 I237 L239 L324 T328 P356 F357 L359	V234-L326 HydrophobicContact CG2-CD1 3.74Å; V234-L326 HydrophobicContact CG2-CG 4.18Å; I237-L326 HydrophobicContact CB-CD2 4.27Å; I237-L326 HydrophobicContact CD1-CD1 4.38Å; I237-L326 HydrophobicContact CD1-CD2 4.33Å; I237-L326 HydrophobicContact CD1-CG 4.34Å; I237-L326 HydrophobicContact CG2-CD2 3.92Å; L239-L326 HydrophobicContact CD1-CD2 4.12Å; L239-L326 HydrophobicContact CD2-CD2 4.08Å; L239-L326 HydrophobicContact CG-CD2 4.29Å; L324-L326 HydrophobicContact CB-CD1 3.89Å; L326-T328 PolarHBondContact O-N 3.12Å; L326-P356 WeakPolarHBondContact O-CA 3.42Å; L326-P356 WeakPolarHBondContact O-CB 3.5Å; L326-F357 HydrophobicContact CB-CD1 4.29Å; L326-F357 HydrophobicContact CB-CD2 4.45Å; L326-F357 HydrophobicContact CB-CE1 3.86Å; L326-F357 HydrophobicContact CB-CE2 4.05Å; L326-F357 HydrophobicContact CB-CZ 3.74Å; L326-F357 HydrophobicContact CD2-CE1 4.5Å; L326-F357 HydrophobicContact CD2-CE2 3.83Å; L326-F357 HydrophobicContact CD2-CZ 3.62Å; L326-F357 HydrophobicContact CG-CE2 4.41Å; L326-F357 HydrophobicContact CG-CZ 4.29Å; L326-F357 PolarHBondContact N-O 3.23Å; L326-F357 PolarHBondContact O-N 2.94Å; L326-F357 VanDerWaalsContact O-N 3.14Å; L326-L359 HydrophobicContact CD1-CB 4.48Å; L326-L359 HydrophobicContact CD1-CD1 3.93Å; L326-L359 HydrophobicContact CD1-CG 4.26Å; L326-L359 HydrophobicContact CD2-CD1 4.02Å
327	K	93.9	Very high	96.2	Very high	123 Å²	123	38.3 Å²	38.3	54%	0.535	22%	0.22	S	C	.	.			trans	-89.1	33.3	179.4	-69.9	174.5	179.1	159.9	0	113	Q233 E325 P356	Q233-K327 HydrophobicContact CG-CD 4.37Å; E325-K327 WeakPolarHBondContact OE2-CE 3.4Å; E325-K327 IonicContact OE2-NZ 2.77Å; E325-K327 PolarHBondContact OE2-NZ 2.65Å; K327-P356 HydrophobicContact CG-CB 3.96Å
328	T	92.4	Very high	96.4	Very high	80 Å²	80	37.3 Å²	37.3	49%	0.491	21%	0.214	S	C	.	.	S	Bend	trans	-106.4	168.1	174.3	60.1	0	0	0	0	110.7	L326 F357	L326-T328 PolarHBondContact O-N 3.12Å; T328-F357 WeakPolarHBondContact OG1-CE1 3.45Å
329	S	94.4	Very high	96.4	Very high	109 Å²	109	39.5 Å²	39.5	76%	0.762	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-49.5	143	165.4	-51.1	0	0	0	0	111.3	F357	S329-F357 WeakPolarHBondContact O-CE1 3.49Å
330	W	97.4	Very high	96.5	Very high	18 Å²	18	37.2 Å²	37.2	7%	0.068	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-65.3	152.9	177.9	-62.6	11.6	0	0	0	111.5	T334 L338 L352 R353 K355 F357 F379 I382 F484	W330-T334 HydrophobicContact CB-CG2 4.49Å; W330-T334 WeakPolarHBondContact CB-OG1 3.46Å; W330-L338 HydrophobicContact CH2-CD2 3.92Å; W330-L338 HydrophobicContact CZ3-CD2 4.08Å; W330-L352 VanDerWaalsContact CZ2-O 3.26Å; W330-L352 WeakPolarHBondContact CZ2-O 3.47Å; W330-R353 HydrophobicContact CD2-CG 4.34Å; W330-R353 HydrophobicContact CE3-CG 4.06Å; W330-R353 HydrophobicContact CH2-CG 4.2Å; W330-R353 HydrophobicContact CZ2-CG 4.48Å; W330-R353 HydrophobicContact CZ3-CG 3.98Å; W330-K355 PolarHBondContact NE1-O 2.98Å; W330-F357 HydrophobicContact CB-CD1 4.49Å; W330-F357 AromaticContact CD1-CD1 3.67Å; W330-F357 HydrophobicContact CG-CB 4.44Å; W330-F357 HydrophobicContact CG-CD1 4.24Å; W330-F379 HydrophobicContact CD2-CD1 4.44Å; W330-F379 AromaticContact CD2-CE1 3.61Å; W330-F379 HydrophobicContact CD2-CE1 3.61Å; W330-F379 HydrophobicContact CD2-CZ 4.34Å; W330-F379 AromaticContact CE2-CE1 3.82Å; W330-F379 HydrophobicContact CE3-CD1 4.23Å; W330-F379 AromaticContact CE3-CE1 3.52Å; W330-F379 HydrophobicContact CE3-CE1 3.52Å; W330-F379 HydrophobicContact CE3-CZ 4.05Å; W330-F379 HydrophobicContact CG-CE1 4.3Å; W330-F379 AromaticContact CH2-CD1 3.78Å; W330-F379 HydrophobicContact CH2-CD1 3.78Å; W330-F379 AromaticContact CH2-CE1 3.9Å; W330-F379 HydrophobicContact CH2-CE1 3.9Å; W330-F379 AromaticContact CZ2-CD1 3.98Å; W330-F379 HydrophobicContact CZ2-CD1 3.98Å; W330-F379 AromaticContact CZ2-CE1 3.96Å; W330-F379 HydrophobicContact CZ2-CE1 3.96Å; W330-F379 AromaticContact CZ3-CD1 3.91Å; W330-F379 HydrophobicContact CZ3-CD1 3.91Å; W330-F379 AromaticContact CZ3-CE1 3.68Å; W330-F379 HydrophobicContact CZ3-CE1 3.68Å; W330-F379 HydrophobicContact CZ3-CZ 4.4Å; W330-I382 HydrophobicContact CH2-CD1 4.32Å; W330-I382 HydrophobicContact CH2-CG1 3.92Å; W330-I382 HydrophobicContact CZ2-CD1 3.98Å; W330-I382 HydrophobicContact CZ2-CG1 3.9Å; W330-F484 HydrophobicContact CH2-CD1 4.32Å; W330-F484 HydrophobicContact CZ3-CD1 4.04Å
331	P	96.5	Very high	96.5	Very high	17 Å²	17	42 Å²	42	11%	0.11	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-58.9	153.7	179.3	-27.2	37.4	0	0	0	114.3	L239 Y249 S333 T334 F357 L377	L239-P331 HydrophobicContact CD1-CG 4.05Å; Y249-P331 HydrophobicContact CE1-CB 4.44Å; Y249-P331 HydrophobicContact CE2-CG 4.48Å; P331-S333 VanDerWaalsContact C-N 3.26Å; P331-S333 PolarHBondContact O-N 3.35Å; P331-T334 WeakPolarHBondContact O-CB 3.44Å; P331-T334 WeakPolarHBondContact O-CG2 3.47Å; P331-T334 PolarHBondContact O-N 3.47Å; P331-T334 PolarHBondContact O-OG1 3.01Å; P331-F357 HydrophobicContact CG-CE2 4.2Å; P331-F357 HydrophobicContact CG-CZ 4.2Å; P331-L377 HydrophobicContact CG-CD1 4.19Å; P331-L377 HydrophobicContact CG-CD2 4.12Å
332	A	95.8	Very high	96.5	Very high	92 Å²	92	46.9 Å²	46.9	76%	0.76	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-59.8	-33.8	-176.9	0	0	0	0	0	113.3	T334 Q335	A332-T334 PolarHBondContact O-N 3.41Å; A332-Q335 WeakPolarHBondContact O-CB 3.49Å; A332-Q335 PolarHBondContact O-N 3.13Å
333	S	96.7	Very high	96.5	Very high	29 Å²	29	46.9 Å²	46.9	20%	0.203	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-52.4	-23.2	172.1	63.7	0	0	0	0	114.3	G246 Y249 P331	G246-S333 WeakPolarHBondContact O-CB 3.42Å; G246-S333 PolarHBondContact O-OG 3.27Å; Y249-S333 PolarHBondContact OH-OG 2.93Å; P331-S333 VanDerWaalsContact C-N 3.26Å; P331-S333 PolarHBondContact O-N 3.35Å
334	T	97.6	Very high	96.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-90.3	-3.5	179.7	75.2	0	0	0	0	114.1	W330 P331 A332 E336 G337 R353 L377 F379 F484 I485	W330-T334 HydrophobicContact CB-CG2 4.49Å; W330-T334 WeakPolarHBondContact CB-OG1 3.46Å; P331-T334 WeakPolarHBondContact O-CB 3.44Å; P331-T334 WeakPolarHBondContact O-CG2 3.47Å; P331-T334 PolarHBondContact O-N 3.47Å; P331-T334 PolarHBondContact O-OG1 3.01Å; A332-T334 PolarHBondContact O-N 3.41Å; T334-E336 PolarHBondContact O-N 2.98Å; T334-G337 PolarHBondContact O-N 3.38Å; T334-R353 PolarHBondContact O-NH1 3.3Å; T334-R353 PolarHBondContact OG1-NH1 2.82Å; T334-R353 PolarHBondContact OG1-NH2 3.12Å; T334-L377 HydrophobicContact CG2-CD1 4.16Å; T334-F379 HydrophobicContact CG2-CE2 4.33Å; T334-F379 HydrophobicContact CG2-CZ 3.91Å; T334-F484 WeakPolarHBondContact CA-O 3.25Å; T334-F484 WeakPolarHBondContact CB-O 3.48Å; T334-I485 HydrophobicContact CG2-CG1 4.23Å
335	Q	96.1	Very high	96.4	Very high	103 Å²	103	49.9 Å²	49.9	48%	0.481	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-34.8	-160.5	-176.1	62.5	-5.4	0	0	114	A332 R349	A332-Q335 WeakPolarHBondContact O-CB 3.49Å; A332-Q335 PolarHBondContact O-N 3.13Å; Q335-R349 PolarHBondContact O-NH2 2.86Å
336	E	95.9	Very high	96.4	Very high	127 Å²	127	52 Å²	52	59%	0.593	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	0.7	172.2	-61.1	-45.2	121.5	0	0	114	T334 P486	T334-E336 PolarHBondContact O-N 2.98Å; E336-P486 HydrophobicContact CB-CG 4.37Å
337	G	97.2	Very high	96.5	Very high	3 Å²	3	58.4 Å²	58.4	3%	0.031	33%	0.332	C	S	.	.			trans	-70.8	177.8	171.1	0	0	0	0	0	113	T334 R349	T334-G337 PolarHBondContact O-N 3.38Å; G337-R349 PolarHBondContact O-NE 2.92Å; G337-R349 PolarHBondContact O-NH2 3.32Å
338	L	97.8	Very high	96.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.319	C	S	.	.			trans	55	63.2	-179	-173.8	60.1	0	0	0	111.1	W330 I340 R349 L352 R353 I382 I386 Y483 F484	W330-L338 HydrophobicContact CH2-CD2 3.92Å; W330-L338 HydrophobicContact CZ3-CD2 4.08Å; L338-I340 HydrophobicContact CD1-CD1 3.97Å; L338-I340 HydrophobicContact CD1-CG1 4.27Å; L338-I340 HydrophobicContact CD1-CG2 3.95Å; L338-I340 HydrophobicContact CG-CD1 4.09Å; L338-I340 HydrophobicContact CG-CG1 4.19Å; L338-I340 PolarHBondContact O-N 3.34Å; L338-R349 HydrophobicContact CD2-CG 4.21Å; L338-R349 HydrophobicContact CG-CG 4.21Å; L338-R349 VanDerWaalsContact O-CD 3.22Å; L338-R349 WeakPolarHBondContact O-CD 3.29Å; L338-R349 PolarHBondContact O-NE 3.39Å; L338-L352 HydrophobicContact CD1-CD1 4.47Å; L338-L352 HydrophobicContact CD2-CB 3.95Å; L338-L352 HydrophobicContact CD2-CD1 4.22Å; L338-R353 HydrophobicContact CD2-CG 4.16Å; L338-I382 HydrophobicContact CD1-CG2 4.39Å; L338-I386 HydrophobicContact CD1-CD1 3.61Å; L338-Y483 HydrophobicContact CD1-CE1 3.98Å; L338-Y483 PolarHBondContact N-O 3.22Å; L338-F484 HydrophobicContact CB-CD1 4.36Å; L338-F484 HydrophobicContact CD1-CD1 4.48Å; L338-F484 HydrophobicContact CD1-CE1 3.95Å
339	A	97	Very high	96.9	Very high	47 Å²	47	52.1 Å²	52.1	39%	0.388	30%	0.3	S	S	.	.			trans	-73.3	14	-168.9	0	0	0	0	0	115.6	K341 T447	A339-K341 PolarHBondContact O-N 2.94Å; A339-T447 HydrophobicContact CB-CG2 3.88Å; A339-T447 WeakPolarHBondContact O-CG2 3.13Å
340	I	97.6	Very high	97.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	7	-174.2	67.3	178.7	0	0	0	116.4	L338 N342 W343 L344 S345 V348 R349 L352 Y483	L338-I340 HydrophobicContact CD1-CD1 3.97Å; L338-I340 HydrophobicContact CD1-CG1 4.27Å; L338-I340 HydrophobicContact CD1-CG2 3.95Å; L338-I340 HydrophobicContact CG-CD1 4.09Å; L338-I340 HydrophobicContact CG-CG1 4.19Å; L338-I340 PolarHBondContact O-N 3.34Å; I340-N342 VanDerWaalsContact C-N 3.26Å; I340-N342 PolarHBondContact O-N 3.28Å; I340-W343 HydrophobicContact CG2-CE3 3.84Å; I340-W343 HydrophobicContact CG2-CZ3 4.22Å; I340-W343 CarbonylContact O-C 3.57Å; I340-W343 PolarHBondContact O-N 2.79Å; I340-L344 HydrophobicContact CB-CB 4.16Å; I340-L344 HydrophobicContact CB-CG 4.21Å; I340-L344 HydrophobicContact CD1-CB 4.17Å; I340-L344 HydrophobicContact CD1-CD1 4.18Å; I340-L344 HydrophobicContact CG1-CB 4.49Å; I340-L344 HydrophobicContact CG2-CD1 4.38Å; I340-L344 HydrophobicContact CG2-CG 4.36Å; I340-L344 PolarHBondContact O-N 3.37Å; I340-S345 PolarHBondContact O-N 3.03Å; I340-V348 HydrophobicContact CD1-CB 4.49Å; I340-V348 HydrophobicContact CD1-CG1 3.95Å; I340-R349 HydrophobicContact CD1-CB 4.1Å; I340-R349 HydrophobicContact CG1-CB 3.84Å; I340-R349 HydrophobicContact CG1-CG 4.26Å; I340-L352 HydrophobicContact CD1-CD1 3.61Å; I340-Y483 HydrophobicContact CG2-CE1 4.16Å; I340-Y483 WeakPolarHBondContact CG2-OH 3.38Å
341	K	96.7	Very high	97.1	Very high	100 Å²	100	57.4 Å²	57.4	44%	0.435	31%	0.314	S	S	.	.	I	π-helix	trans	-52.5	-43.9	-177.9	-65.5	177.6	-174.1	166.1	0	111.6	A339 S345	A339-K341 PolarHBondContact O-N 2.94Å; K341-S345 VanDerWaalsContact O-CA 3.29Å; K341-S345 WeakPolarHBondContact O-CA 3.49Å
342	N	95.7	Very high	97.2	Very high	123 Å²	123	56.7 Å²	56.7	66%	0.658	31%	0.309	S	S	*	.	I	π-helix	trans	-91.8	-19.4	-178.2	-65.5	-1.7	0	0	0	113.4	I340 K392	I340-N342 VanDerWaalsContact C-N 3.26Å; I340-N342 PolarHBondContact O-N 3.28Å; N342-K392 PolarHBondContact O-NZ 2.98Å
343	W	97.6	Very high	97.3	Very high	1 Å²	1	54 Å²	54	0%	0.004	28%	0.279	C	S	.	.	I	π-helix	trans	-84.6	-101.2	170.2	-178.7	24.4	0	0	0	109.3	I340 S345 I386 H390 K392 F443 C446 P450	I340-W343 HydrophobicContact CG2-CE3 3.84Å; I340-W343 HydrophobicContact CG2-CZ3 4.22Å; I340-W343 CarbonylContact O-C 3.57Å; I340-W343 PolarHBondContact O-N 2.79Å; W343-S345 PolarHBondContact O-N 3.33Å; W343-S345 VanDerWaalsContact O-N 3.13Å; W343-I386 HydrophobicContact CH2-CG2 3.41Å; W343-I386 VanDerWaalsContact CH2-CG2 3.41Å; W343-I386 HydrophobicContact CZ2-CG2 4.28Å; W343-I386 HydrophobicContact CZ3-CG2 3.77Å; W343-H390 HydrophobicContact CZ2-CB 4.18Å; W343-H390 WeakPolarHBondContact CZ2-O 3.38Å; W343-H390 PolarHBondContact NE1-O 3.28Å; W343-K392 WeakPolarHBondContact O-CD 3.4Å; W343-K392 PolarHBondContact O-NZ 2.84Å; W343-F443 HydrophobicContact CH2-CD1 4.25Å; W343-F443 HydrophobicContact CZ3-CD1 4.43Å; W343-C446 HydrophobicContact CD2-CB 4.12Å; W343-C446 HydrophobicContact CE3-CB 3.91Å; W343-C446 HydrophobicContact CH2-CB 3.48Å; W343-C446 VanDerWaalsContact CH2-CB 3.48Å; W343-C446 HydrophobicContact CZ2-CB 3.65Å; W343-C446 HydrophobicContact CZ3-CB 3.61Å; W343-P450 HydrophobicContact CB-CB 3.99Å; W343-P450 HydrophobicContact CG-CB 4.47Å
344	L	96.9	Very high	97.3	Very high	21 Å²	21	59.9 Å²	59.9	11%	0.11	31%	0.307	C	S	.	.	I	π-helix	trans	-67.1	-10.8	-173.6	-49.3	-173	0	0	0	116.4	I340 V348 I386 N389 G391	I340-L344 HydrophobicContact CB-CB 4.16Å; I340-L344 HydrophobicContact CB-CG 4.21Å; I340-L344 HydrophobicContact CD1-CB 4.17Å; I340-L344 HydrophobicContact CD1-CD1 4.18Å; I340-L344 HydrophobicContact CG1-CB 4.49Å; I340-L344 HydrophobicContact CG2-CD1 4.38Å; I340-L344 HydrophobicContact CG2-CG 4.36Å; I340-L344 PolarHBondContact O-N 3.37Å; L344-V348 HydrophobicContact CB-CB 4.24Å; L344-V348 HydrophobicContact CB-CG1 4.04Å; L344-V348 HydrophobicContact CD1-CG1 4.37Å; L344-V348 VanDerWaalsContact O-CG2 3.3Å; L344-V348 WeakPolarHBondContact O-CG2 3.31Å; L344-I386 HydrophobicContact CD1-CG1 4.25Å; L344-I386 HydrophobicContact CD1-CG2 4.3Å; L344-N389 WeakPolarHBondContact CD1-O 3.31Å; L344-N389 WeakPolarHBondContact CD2-O 3.24Å; L344-G391 WeakPolarHBondContact CD2-O 3.25Å
345	S	97.4	Very high	97.3	Very high	41 Å²	41	63.3 Å²	63.3	29%	0.287	32%	0.322	S	S	.	.	I	π-helix	trans	100.7	153.3	-178	80.7	0	0	0	0	116.7	I340 K341 W343 K347 V348 R349	I340-S345 PolarHBondContact O-N 3.03Å; K341-S345 VanDerWaalsContact O-CA 3.29Å; K341-S345 WeakPolarHBondContact O-CA 3.49Å; W343-S345 PolarHBondContact O-N 3.33Å; W343-S345 VanDerWaalsContact O-N 3.13Å; S345-K347 VanDerWaalsContact C-N 3.3Å; S345-K347 PolarHBondContact O-N 3.18Å; S345-V348 PolarHBondContact O-N 3.04Å; S345-V348 PolarHBondContact OG-N 3.09Å; S345-R349 PolarHBondContact O-N 3.18Å
346	A	97.8	Very high	97.4	Very high	54 Å²	54	59.7 Å²	59.7	45%	0.446	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-33.7	173.1	0	0	0	0	0	113.4	R349 Q350	A346-R349 WeakPolarHBondContact O-CB 3.48Å; A346-R349 PolarHBondContact O-N 3Å; A346-Q350 WeakPolarHBondContact O-CG 3.4Å; A346-Q350 PolarHBondContact O-N 3.26Å
347	K	97.9	Very high	97.5	Very high	139 Å²	139	53.7 Å²	53.7	60%	0.604	28%	0.28	S	S	*	.	H	α-helix	trans	-65.8	-44.9	176.6	-178.3	169.3	-179.5	169.5	0	111.4	S345 R349 Q350 Q351	S345-K347 VanDerWaalsContact C-N 3.3Å; S345-K347 PolarHBondContact O-N 3.18Å; K347-R349 VanDerWaalsContact C-N 3.33Å; K347-R349 PolarHBondContact O-N 3.48Å; K347-Q350 PolarHBondContact O-N 3.33Å; K347-Q351 WeakPolarHBondContact O-CG 3.47Å; K347-Q351 PolarHBondContact O-N 3.21Å
348	V	97.9	Very high	97.5	Very high	43 Å²	43	54 Å²	54	26%	0.261	28%	0.28	S	S	.	.	H	α-helix	trans	-61.6	-42.9	173.7	174.6	0	0	0	0	110.2	I340 L344 S345 Q350 Q351 L352	I340-V348 HydrophobicContact CD1-CB 4.49Å; I340-V348 HydrophobicContact CD1-CG1 3.95Å; L344-V348 HydrophobicContact CB-CB 4.24Å; L344-V348 HydrophobicContact CB-CG1 4.04Å; L344-V348 HydrophobicContact CD1-CG1 4.37Å; L344-V348 VanDerWaalsContact O-CG2 3.3Å; L344-V348 WeakPolarHBondContact O-CG2 3.31Å; S345-V348 PolarHBondContact O-N 3.04Å; S345-V348 PolarHBondContact OG-N 3.09Å; V348-Q350 VanDerWaalsContact C-N 3.35Å; V348-Q350 PolarHBondContact O-N 3.39Å; V348-Q351 PolarHBondContact O-N 3.32Å; V348-L352 HydrophobicContact CG1-CD1 3.84Å; V348-L352 HydrophobicContact CG1-CG 4.14Å; V348-L352 VanDerWaalsContact O-CG 3.31Å; V348-L352 WeakPolarHBondContact O-CG 3.32Å; V348-L352 PolarHBondContact O-N 2.98Å
349	R	97.8	Very high	97.5	Very high	27 Å²	27	54 Å²	54	10%	0.102	28%	0.28	C	S	.	.	H	α-helix	trans	-56.8	-44	174.9	-170.1	-178.2	-176.3	-95.7	3.2	113.2	Q335 G337 L338 I340 S345 A346 K347 R353	Q335-R349 PolarHBondContact O-NH2 2.86Å; G337-R349 PolarHBondContact O-NE 2.92Å; G337-R349 PolarHBondContact O-NH2 3.32Å; L338-R349 HydrophobicContact CD2-CG 4.21Å; L338-R349 HydrophobicContact CG-CG 4.21Å; L338-R349 VanDerWaalsContact O-CD 3.22Å; L338-R349 WeakPolarHBondContact O-CD 3.29Å; L338-R349 PolarHBondContact O-NE 3.39Å; I340-R349 HydrophobicContact CD1-CB 4.1Å; I340-R349 HydrophobicContact CG1-CB 3.84Å; I340-R349 HydrophobicContact CG1-CG 4.26Å; S345-R349 PolarHBondContact O-N 3.18Å; A346-R349 WeakPolarHBondContact O-CB 3.48Å; A346-R349 PolarHBondContact O-N 3Å; K347-R349 VanDerWaalsContact C-N 3.33Å; K347-R349 PolarHBondContact O-N 3.48Å; R349-R353 WeakPolarHBondContact O-CG 3.4Å; R349-R353 PolarHBondContact O-N 3.48Å; R349-R353 VanDerWaalsContact O-N 3.11Å
350	Q	97.7	Very high	97.6	Very high	133 Å²	133	51.9 Å²	51.9	62%	0.621	26%	0.262	S	S	*	.	H	α-helix	trans	-62.7	-48.5	175.5	-73.3	170.6	-25.7	0	0	111.1	A346 K347 V348 L352 R353 L354	A346-Q350 WeakPolarHBondContact O-CG 3.4Å; A346-Q350 PolarHBondContact O-N 3.26Å; K347-Q350 PolarHBondContact O-N 3.33Å; V348-Q350 VanDerWaalsContact C-N 3.35Å; V348-Q350 PolarHBondContact O-N 3.39Å; Q350-L352 VanDerWaalsContact C-N 3.32Å; Q350-L352 PolarHBondContact O-N 3.43Å; Q350-R353 PolarHBondContact O-N 2.94Å; Q350-L354 WeakPolarHBondContact O-CG 3.36Å; Q350-L354 PolarHBondContact O-N 3.25Å
351	Q	97.9	Very high	97.5	Very high	105 Å²	105	51.9 Å²	51.9	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-38	179.8	-70.7	174.4	-50.8	0	0	112.8	K347 V348	K347-Q351 WeakPolarHBondContact O-CG 3.47Å; K347-Q351 PolarHBondContact O-N 3.21Å; V348-Q351 PolarHBondContact O-N 3.32Å
352	L	98.1	Very high	97.3	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-69.2	-40.8	175.7	-67.9	176.5	0	0	0	112.3	W330 L338 I340 V348 Q350 L354 K355 I382 E385 I386	W330-L352 VanDerWaalsContact CZ2-O 3.26Å; W330-L352 WeakPolarHBondContact CZ2-O 3.47Å; L338-L352 HydrophobicContact CD1-CD1 4.47Å; L338-L352 HydrophobicContact CD2-CB 3.95Å; L338-L352 HydrophobicContact CD2-CD1 4.22Å; I340-L352 HydrophobicContact CD1-CD1 3.61Å; V348-L352 HydrophobicContact CG1-CD1 3.84Å; V348-L352 HydrophobicContact CG1-CG 4.14Å; V348-L352 VanDerWaalsContact O-CG 3.31Å; V348-L352 WeakPolarHBondContact O-CG 3.32Å; V348-L352 PolarHBondContact O-N 2.98Å; Q350-L352 VanDerWaalsContact C-N 3.32Å; Q350-L352 PolarHBondContact O-N 3.43Å; L352-L354 PolarHBondContact O-N 3.37Å; L352-K355 WeakPolarHBondContact O-CB 3.35Å; L352-K355 PolarHBondContact O-N 3.49Å; L352-K355 VanDerWaalsContact O-N 3.13Å; L352-I382 HydrophobicContact CB-CD1 4.21Å; L352-I382 HydrophobicContact CB-CG2 4.32Å; L352-I382 HydrophobicContact CD1-CG2 3.95Å; L352-I382 HydrophobicContact CD2-CD1 4.04Å; L352-I382 HydrophobicContact CD2-CG2 4.22Å; L352-I382 HydrophobicContact CG-CG2 4.38Å; L352-E385 HydrophobicContact CD2-CB 4.35Å; L352-E385 HydrophobicContact CD2-CG 3.92Å; L352-E385 VanDerWaalsContact CD2-OE2 3.31Å; L352-E385 WeakPolarHBondContact CD2-OE2 3.22Å; L352-I386 HydrophobicContact CD1-CG1 4.31Å
353	R	97.7	Very high	97	Very high	34 Å²	34	44.9 Å²	44.9	13%	0.128	23%	0.226	C	C	.	.	H	α-helix	trans	-71.5	-11	178	-70.1	-177.7	75.1	81.3	-0.6	114.6	W330 T334 L338 R349 Q350	W330-R353 HydrophobicContact CD2-CG 4.34Å; W330-R353 HydrophobicContact CE3-CG 4.06Å; W330-R353 HydrophobicContact CH2-CG 4.2Å; W330-R353 HydrophobicContact CZ2-CG 4.48Å; W330-R353 HydrophobicContact CZ3-CG 3.98Å; T334-R353 PolarHBondContact O-NH1 3.3Å; T334-R353 PolarHBondContact OG1-NH1 2.82Å; T334-R353 PolarHBondContact OG1-NH2 3.12Å; L338-R353 HydrophobicContact CD2-CG 4.16Å; R349-R353 WeakPolarHBondContact O-CG 3.4Å; R349-R353 PolarHBondContact O-N 3.48Å; R349-R353 VanDerWaalsContact O-N 3.11Å; Q350-R353 PolarHBondContact O-N 2.94Å
354	L	97.5	Very high	96.6	Very high	153 Å²	153	45 Å²	45	80%	0.801	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-8.9	171	-69.8	171	0	0	0	113.2	Q350 L352	Q350-L354 WeakPolarHBondContact O-CG 3.36Å; Q350-L354 PolarHBondContact O-N 3.25Å; L352-L354 PolarHBondContact O-N 3.37Å
355	K	97.6	Very high	96.1	Very high	72 Å²	72	49.8 Å²	49.8	31%	0.313	25%	0.247	S	C	.	.	S	Bend	trans	-80.3	152.5	175	-59.3	-166.3	-177.3	-169.2	0	110.4	W330 L352 I382 E385	W330-K355 PolarHBondContact NE1-O 2.98Å; L352-K355 WeakPolarHBondContact O-CB 3.35Å; L352-K355 PolarHBondContact O-N 3.49Å; L352-K355 VanDerWaalsContact O-N 3.13Å; K355-I382 HydrophobicContact CB-CD1 4.2Å; K355-I382 HydrophobicContact CD-CD1 4.26Å; K355-E385 WeakPolarHBondContact CE-OE2 3.19Å; K355-E385 IonicContact NZ-OE1 2.59Å; K355-E385 PolarHBondContact NZ-OE1 3.47Å; K355-E385 IonicContact NZ-OE2 3.29Å; K355-E385 PolarHBondContact NZ-OE2 3.4Å
356	P	97.3	Very high	95.1	Very high	28 Å²	28	52.6 Å²	52.6	18%	0.182	26%	0.256	C	S	.	.			trans	-57.2	152.8	174.9	24.9	-35.2	0	0	0	111.4	E325 L326 K327 Y358 H381	E325-P356 HydrophobicContact CG-CB 3.77Å; E325-P356 HydrophobicContact CG-CG 4.06Å; L326-P356 WeakPolarHBondContact O-CA 3.42Å; L326-P356 WeakPolarHBondContact O-CB 3.5Å; K327-P356 HydrophobicContact CG-CB 3.96Å; P356-Y358 HydrophobicContact CG-CE2 4.47Å; P356-H381 PolarHBondContact O-CE1 3.42Å; P356-H381 PolarHBondContact O-NE2 3.44Å
357	F	97.5	Very high	94.1	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	166.4	166.7	67.5	-84	0	0	0	110.1	L239 L326 T328 S329 W330 P331 L359 L377 F379	L239-F357 HydrophobicContact CD1-CE2 3.75Å; L239-F357 HydrophobicContact CD1-CZ 3.7Å; L326-F357 HydrophobicContact CB-CD1 4.29Å; L326-F357 HydrophobicContact CB-CD2 4.45Å; L326-F357 HydrophobicContact CB-CE1 3.86Å; L326-F357 HydrophobicContact CB-CE2 4.05Å; L326-F357 HydrophobicContact CB-CZ 3.74Å; L326-F357 HydrophobicContact CD2-CE1 4.5Å; L326-F357 HydrophobicContact CD2-CE2 3.83Å; L326-F357 HydrophobicContact CD2-CZ 3.62Å; L326-F357 HydrophobicContact CG-CE2 4.41Å; L326-F357 HydrophobicContact CG-CZ 4.29Å; L326-F357 PolarHBondContact N-O 3.23Å; L326-F357 PolarHBondContact O-N 2.94Å; L326-F357 VanDerWaalsContact O-N 3.14Å; T328-F357 WeakPolarHBondContact OG1-CE1 3.45Å; S329-F357 WeakPolarHBondContact O-CE1 3.49Å; W330-F357 HydrophobicContact CB-CD1 4.49Å; W330-F357 AromaticContact CD1-CD1 3.67Å; W330-F357 HydrophobicContact CG-CB 4.44Å; W330-F357 HydrophobicContact CG-CD1 4.24Å; P331-F357 HydrophobicContact CG-CE2 4.2Å; P331-F357 HydrophobicContact CG-CZ 4.2Å; F357-L359 HydrophobicContact CE2-CG 4.45Å; F357-L377 HydrophobicContact CD2-CD2 3.43Å; F357-L377 VanDerWaalsContact CD2-CD2 3.43Å; F357-L377 HydrophobicContact CE2-CD2 3.68Å; F357-L377 HydrophobicContact CG-CD2 4.48Å; F357-F379 HydrophobicContact CB-CD1 4.33Å; F357-F379 HydrophobicContact CB-CE1 3.62Å; F357-F379 HydrophobicContact CB-CZ 4.23Å
358	Y	98.4	Very high	92.7	Very high	8 Å²	8	53.5 Å²	53.5	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.7	-172.7	-64.5	-96.6	0	0	0	111.8	L209 K231 A323 L324 E325 P356 L377 S378 H381	L209-Y358 HydrophobicContact CD2-CD1 4.09Å; L209-Y358 HydrophobicContact CD2-CD2 4.46Å; L209-Y358 HydrophobicContact CD2-CE1 3.66Å; L209-Y358 HydrophobicContact CD2-CE2 4.12Å; L209-Y358 HydrophobicContact CD2-CG 4.45Å; K231-Y358 HydrophobicContact CB-CD1 4.25Å; K231-Y358 HydrophobicContact CB-CE1 3.7Å; K231-Y358 HydrophobicContact CD-CE1 3.68Å; K231-Y358 WeakPolarHBondContact CD-OH 3.42Å; K231-Y358 HydrophobicContact CG-CE1 4.34Å; A323-Y358 HydrophobicContact CB-CD1 4.11Å; L324-Y358 VanDerWaalsContact O-CA 3.25Å; L324-Y358 WeakPolarHBondContact O-CA 3.49Å; E325-Y358 HydrophobicContact CB-CD1 4.09Å; E325-Y358 HydrophobicContact CB-CE1 3.67Å; E325-Y358 HydrophobicContact CG-CD1 4.49Å; E325-Y358 HydrophobicContact CG-CE1 3.76Å; E325-Y358 PolarHBondContact OE1-OH 3.19Å; E325-Y358 VanDerWaalsContact OE1-OH 3.06Å; P356-Y358 HydrophobicContact CG-CE2 4.47Å; Y358-L377 CarbonylContact O-C 3.54Å; Y358-S378 PolarHBondContact N-O 2.86Å; Y358-S378 PolarHBondContact O-N 2.92Å; Y358-H381 AromaticContact CD2-CE1 3.74Å; Y358-H381 AromaticContact CD2-ND1 3.46Å; Y358-H381 WeakPolarHBondContact CD2-ND1 3.36Å; Y358-H381 AromaticContact CE2-CE1 3.47Å; Y358-H381 VanDerWaalsContact CE2-CE1 3.47Å; Y358-H381 WeakPolarHBondContact CE2-CE1 3.25Å; Y358-H381 AromaticContact CE2-CG 3.83Å; Y358-H381 AromaticContact CE2-ND1 3.26Å; Y358-H381 VanDerWaalsContact CE2-ND1 3.26Å; Y358-H381 WeakPolarHBondContact CE2-ND1 3.49Å
359	L	98.2	Very high	91.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.4	173.1	-76.3	174.1	0	0	0	109.6	L239 V251 A323 L324 L326 F357 W375 R376 L377	L239-L359 HydrophobicContact CD1-CD1 4.33Å; L239-L359 HydrophobicContact CD2-CD1 3.59Å; V251-L359 HydrophobicContact CG2-CD1 3.65Å; A323-L359 CarbonylContact C-O 3.6Å; A323-L359 VanDerWaalsContact CA-O 3.27Å; A323-L359 WeakPolarHBondContact CA-O 3.38Å; L324-L359 HydrophobicContact CB-CB 4.26Å; L324-L359 PolarHBondContact N-O 3.44Å; L324-L359 PolarHBondContact O-N 3.13Å; L326-L359 HydrophobicContact CD1-CB 4.48Å; L326-L359 HydrophobicContact CD1-CD1 3.93Å; L326-L359 HydrophobicContact CD1-CG 4.26Å; L326-L359 HydrophobicContact CD2-CD1 4.02Å; F357-L359 HydrophobicContact CE2-CG 4.45Å; L359-W375 HydrophobicContact CB-CB 4.08Å; L359-W375 HydrophobicContact CB-CE3 4.23Å; L359-W375 HydrophobicContact CD1-CB 4.38Å; L359-W375 HydrophobicContact CD2-CB 4.08Å; L359-W375 HydrophobicContact CG-CB 4.42Å; L359-R376 WeakPolarHBondContact CA-O 3.37Å; L359-L377 HydrophobicContact CD2-CD2 3.81Å; L359-L377 HydrophobicContact CD2-CG 4.28Å
360	V	97.5	Very high	91.1	Very high	3 Å²	3	54 Å²	54	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	147.9	177.3	-64.5	0	0	0	0	110.7	M229 T321 A323 K362 R376	M229-V360 HydrophobicContact CE-CG1 4.19Å; T321-V360 HydrophobicContact CG2-CB 4.16Å; T321-V360 HydrophobicContact CG2-CG1 3.81Å; A323-V360 HydrophobicContact CB-CG1 4.03Å; V360-K362 HydrophobicContact CG2-CB 4.29Å; V360-K362 PolarHBondContact O-N 3.46Å; V360-R376 HydrophobicContact CG2-CB 4.31Å; V360-R376 WeakPolarHBondContact CG2-O 3.41Å; V360-R376 PolarHBondContact N-O 3.47Å; V360-R376 PolarHBondContact O-N 3.37Å
361	P	95.9	Very high	90.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.			trans	-77.8	62.5	-177.6	33.5	-36.1	0	0	0	110.7	A273 L277 P306 L322 W375	A273-P361 HydrophobicContact CB-CB 3.8Å; L277-P361 HydrophobicContact CB-CB 4.17Å; L277-P361 HydrophobicContact CB-CG 4.21Å; L277-P361 HydrophobicContact CD1-CG 4.09Å; L277-P361 HydrophobicContact CD2-CB 4.26Å; L277-P361 HydrophobicContact CD2-CG 4.15Å; L277-P361 HydrophobicContact CG-CG 4.37Å; P306-P361 WeakPolarHBondContact CA-O 3.29Å; P306-P361 HydrophobicContact CB-CG 4.19Å; P306-P361 WeakPolarHBondContact CB-O 3.16Å; L322-P361 WeakPolarHBondContact O-CD 3.25Å; P361-W375 HydrophobicContact CB-CE3 4.16Å; P361-W375 HydrophobicContact CB-CH2 4.21Å; P361-W375 HydrophobicContact CB-CZ3 3.84Å; P361-W375 HydrophobicContact CG-CZ3 4.23Å
362	K	92.6	Very high	90.1	Very high	68 Å²	68	48.6 Å²	48.6	30%	0.296	26%	0.255	S	S	.	.			trans	-108.2	107.8	174.3	-175.8	170.4	-176.7	174.5	0	108.7	Y248 P306 V360 R376	Y248-K362 WeakPolarHBondContact CD1-O 3.43Å; Y248-K362 VanDerWaalsContact CE1-O 3.3Å; Y248-K362 WeakPolarHBondContact CE1-O 3.49Å; P306-K362 HydrophobicContact CB-CB 4.04Å; P306-K362 HydrophobicContact CG-CB 4.09Å; V360-K362 HydrophobicContact CG2-CB 4.29Å; V360-K362 PolarHBondContact O-N 3.46Å; K362-R376 HydrophobicContact CB-CB 4.12Å
363	H	90.3	Very high	89.8	Confident	8 Å²	8	50 Å²	50	4%	0.037	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-63.1	139.6	-176.7	-49	172.5	0	0	0	110.9	F370 Q371 E372 T374	H363-F370 HydrophobicContact CB-CB 3.83Å; H363-F370 HydrophobicContact CB-CD1 4Å; H363-F370 HydrophobicContact CB-CG 4.31Å; H363-Q371 WeakPolarHBondContact CB-O 3.24Å; H363-E372 IonicContact CE1-OE1 2.7Å; H363-E372 PolarHBondContact CE1-OE1 2.78Å; H363-E372 IonicContact CE1-OE2 2.62Å; H363-E372 PolarHBondContact CE1-OE2 2.83Å; H363-E372 IonicContact ND1-OE1 3.46Å; H363-E372 PolarHBondContact ND1-OE1 3.27Å; H363-E372 VanDerWaalsContact ND1-OE1 3.14Å; H363-E372 IonicContact ND1-OE2 3.63Å; H363-T374 WeakPolarHBondContact CA-OG1 3.42Å
364	A	89	Confident	89.7	Confident	3 Å²	3	48.4 Å²	48.4	3%	0.025	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	149.7	165.2	0	0	0	0	0	110.1	Y242 Y248 F370 Q371 T374	Y242-A364 HydrophobicContact CD1-CB 3.65Å; Y242-A364 HydrophobicContact CE1-CB 3.35Å; Y248-A364 HydrophobicContact CD1-CB 3.77Å; Y248-A364 HydrophobicContact CD2-CB 4.29Å; Y248-A364 HydrophobicContact CE1-CB 4.21Å; Y248-A364 HydrophobicContact CG-CB 3.83Å; A364-F370 CarbonylContact O-C 3.53Å; A364-F370 WeakPolarHBondContact O-CA 3.4Å; A364-F370 WeakPolarHBondContact O-CD1 3.4Å; A364-Q371 PolarHBondContact O-N 3.04Å; A364-T374 HydrophobicContact CB-CG2 4.38Å; A364-T374 PolarHBondContact N-OG1 3.43Å
365	K	85.1	Confident	89.6	Confident	122 Å²	122	41.1 Å²	41.1	53%	0.53	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.7	178.3	178.6	-167.3	164.1	-164.4	0	109.3	G367 F370 N494	K365-G367 WeakPolarHBondContact CE-O 3.39Å; K365-F370 HydrophobicContact CB-CD1 4.39Å; K365-F370 HydrophobicContact CB-CE1 4.25Å; K365-N494 PolarHBondContact NZ-O 3.4Å; K365-N494 VanDerWaalsContact NZ-O 3.11Å
366	E	78.1	Confident	89.6	Confident	100 Å²	100	40.7 Å²	40.7	47%	0.467	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	98.7	-177.6	-171.2	159.3	-179.4	0	0	109.7	Y242 N368 G369	Y242-E366 PolarHBondContact OH-OE2 2.84Å; E366-N368 PolarHBondContact O-N 3.27Å; E366-N368 VanDerWaalsContact O-N 3.07Å; E366-G369 PolarHBondContact N-O 2.99Å; E366-G369 CarbonylContact O-C 3.2Å; E366-G369 VanDerWaalsContact O-CA 3.3Å; E366-G369 WeakPolarHBondContact O-CA 3.49Å; E366-G369 PolarHBondContact O-N 2.7Å
367	G	75.8	Confident	89.7	Confident	58 Å²	58	39.8 Å²	39.8	60%	0.598	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	-112.5	-171.3	0	0	0	0	0	112.5	K365	K365-G367 WeakPolarHBondContact CE-O 3.39Å
368	N	69.8	Low	89.7	Confident	155 Å²	155	40 Å²	40	83%	0.829	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-6	174.6	-65.9	-28.2	0	0	0	113.2	R303 E366	R303-N368 PolarHBondContact NH1-O 2.82Å; R303-N368 PolarHBondContact NH2-O 3.27Å; E366-N368 PolarHBondContact O-N 3.27Å; E366-N368 VanDerWaalsContact O-N 3.07Å
369	G	80.3	Confident	89.6	Confident	25 Å²	25	39.8 Å²	39.8	26%	0.258	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-170.6	178.3	0	0	0	0	0	113.8	E366	E366-G369 PolarHBondContact N-O 2.99Å; E366-G369 CarbonylContact O-C 3.2Å; E366-G369 VanDerWaalsContact O-CA 3.3Å; E366-G369 WeakPolarHBondContact O-CA 3.49Å; E366-G369 PolarHBondContact O-N 2.7Å
370	F	81.8	Confident	89.5	Confident	55 Å²	55	41 Å²	41	24%	0.241	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	141.3	171.1	-72.8	-87.3	0	0	0	107.5	R303 H363 A364 K365 E372	R303-F370 HydrophobicContact CG-CD2 4Å; R303-F370 HydrophobicContact CG-CE2 3.72Å; H363-F370 HydrophobicContact CB-CB 3.83Å; H363-F370 HydrophobicContact CB-CD1 4Å; H363-F370 HydrophobicContact CB-CG 4.31Å; A364-F370 CarbonylContact O-C 3.53Å; A364-F370 WeakPolarHBondContact O-CA 3.4Å; A364-F370 WeakPolarHBondContact O-CD1 3.4Å; K365-F370 HydrophobicContact CB-CD1 4.39Å; K365-F370 HydrophobicContact CB-CE1 4.25Å; F370-E372 PolarHBondContact O-N 3.33Å
371	Q	88	Confident	89.5	Confident	60 Å²	60	42 Å²	42	28%	0.28	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	104.5	174.2	-170.9	67	-11.6	0	0	109.2	Y242 F250 H363 A364 E373 T374	Y242-Q371 HydrophobicContact CD2-CG 4.41Å; Y242-Q371 HydrophobicContact CE2-CB 3.98Å; Y242-Q371 HydrophobicContact CE2-CG 3.82Å; F250-Q371 HydrophobicContact CE1-CG 3.95Å; F250-Q371 HydrophobicContact CZ-CG 4.05Å; H363-Q371 WeakPolarHBondContact CB-O 3.24Å; A364-Q371 PolarHBondContact O-N 3.04Å; Q371-E373 VanDerWaalsContact CG-OE2 3.24Å; Q371-E373 WeakPolarHBondContact CG-OE2 3.45Å; Q371-E373 PolarHBondContact NE2-OE2 3.03Å; Q371-E373 VanDerWaalsContact NE2-OE2 3.09Å; Q371-E373 PolarHBondContact O-N 3.37Å; Q371-T374 HydrophobicContact CB-CG2 3.9Å; Q371-T374 HydrophobicContact CG-CG2 3.68Å; Q371-T374 PolarHBondContact O-N 3.35Å; Q371-T374 PolarHBondContact O-OG1 2.72Å
372	E	85.8	Confident	89.6	Confident	65 Å²	65	42 Å²	42	30%	0.304	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.1	-160.1	-67	-106.6	138	0	0	113.8	S274 H363 F370	S274-E372 WeakPolarHBondContact CB-O 3.4Å; S274-E372 WeakPolarHBondContact CB-OE2 3.45Å; S274-E372 PolarHBondContact N-O 2.66Å; S274-E372 PolarHBondContact OG-OE2 3.29Å; H363-E372 IonicContact CE1-OE1 2.7Å; H363-E372 PolarHBondContact CE1-OE1 2.78Å; H363-E372 IonicContact CE1-OE2 2.62Å; H363-E372 PolarHBondContact CE1-OE2 2.83Å; H363-E372 IonicContact ND1-OE1 3.46Å; H363-E372 PolarHBondContact ND1-OE1 3.27Å; H363-E372 VanDerWaalsContact ND1-OE1 3.14Å; H363-E372 IonicContact ND1-OE2 3.63Å; F370-E372 PolarHBondContact O-N 3.33Å
373	E	91.4	Very high	89.9	Confident	33 Å²	33	38.9 Å²	38.9	15%	0.154	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-8.1	-179.1	-39.4	65.8	-129.7	0	0	111.7	F250 I270 Q371 W375	F250-E373 HydrophobicContact CD1-CB 4.32Å; F250-E373 HydrophobicContact CE1-CB 4.28Å; I270-E373 HydrophobicContact CG2-CB 3.9Å; Q371-E373 VanDerWaalsContact CG-OE2 3.24Å; Q371-E373 WeakPolarHBondContact CG-OE2 3.45Å; Q371-E373 PolarHBondContact NE2-OE2 3.03Å; Q371-E373 VanDerWaalsContact NE2-OE2 3.09Å; Q371-E373 PolarHBondContact O-N 3.37Å; E373-W375 VanDerWaalsContact O-CD1 3.29Å
374	T	95.1	Very high	90.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.			trans	-79.8	135.1	-176.8	55.8	0	0	0	0	113	Y242 F250 H363 A364 Q371	Y242-T374 HydrophobicContact CD1-CG2 4.38Å; Y242-T374 HydrophobicContact CD2-CG2 3.66Å; Y242-T374 HydrophobicContact CE2-CG2 4.17Å; Y242-T374 HydrophobicContact CG-CG2 3.77Å; F250-T374 HydrophobicContact CD1-CG2 3.97Å; F250-T374 HydrophobicContact CE1-CG2 3.58Å; F250-T374 HydrophobicContact CZ-CG2 4.09Å; H363-T374 WeakPolarHBondContact CA-OG1 3.42Å; A364-T374 HydrophobicContact CB-CG2 4.38Å; A364-T374 PolarHBondContact N-OG1 3.43Å; Q371-T374 HydrophobicContact CB-CG2 3.9Å; Q371-T374 HydrophobicContact CG-CG2 3.68Å; Q371-T374 PolarHBondContact O-N 3.35Å; Q371-T374 PolarHBondContact O-OG1 2.72Å
375	W	97.3	Very high	90.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	144.9	174.9	-63.3	78.3	0	0	0	110.2	Y248 Y249 V251 L271 A273 M276 L324 L359 P361 E373	Y248-W375 CarbonylContact C-O 3.6Å; Y248-W375 VanDerWaalsContact CA-O 3.31Å; Y248-W375 WeakPolarHBondContact CA-O 3.19Å; Y249-W375 PolarHBondContact N-O 3.21Å; Y249-W375 PolarHBondContact O-N 3.33Å; V251-W375 HydrophobicContact CG2-CB 4.12Å; V251-W375 VanDerWaalsContact CG2-CD1 3.46Å; V251-W375 HydrophobicContact CG2-CD2 4.45Å; V251-W375 HydrophobicContact CG2-CG 3.75Å; L271-W375 HydrophobicContact CD2-CZ2 4.2Å; L271-W375 HydrophobicContact CG-CZ2 4.26Å; L271-W375 PolarHBondContact O-NE1 2.76Å; A273-W375 HydrophobicContact CB-CD2 4.04Å; A273-W375 HydrophobicContact CB-CG 4.32Å; A273-W375 HydrophobicContact CB-CZ2 4.03Å; M276-W375 HydrophobicContact CB-CH2 4.43Å; M276-W375 HydrophobicContact CB-CZ2 4.48Å; M276-W375 HydrophobicContact SD-CH2 3.77Å; M276-W375 HydrophobicContact SD-CZ2 4.13Å; L324-W375 HydrophobicContact CD1-CD2 4.06Å; L324-W375 HydrophobicContact CD1-CE3 3.92Å; L324-W375 HydrophobicContact CD1-CH2 3.74Å; L324-W375 HydrophobicContact CD1-CZ2 3.85Å; L324-W375 HydrophobicContact CD1-CZ3 3.77Å; L324-W375 HydrophobicContact CD2-CH2 4.13Å; L324-W375 HydrophobicContact CD2-CZ3 4.26Å; L324-W375 HydrophobicContact CG-CE3 4.04Å; L324-W375 HydrophobicContact CG-CH2 3.83Å; L324-W375 HydrophobicContact CG-CZ2 4.45Å; L324-W375 HydrophobicContact CG-CZ3 3.6Å; L359-W375 HydrophobicContact CB-CB 4.08Å; L359-W375 HydrophobicContact CB-CE3 4.23Å; L359-W375 HydrophobicContact CD1-CB 4.38Å; L359-W375 HydrophobicContact CD2-CB 4.08Å; L359-W375 HydrophobicContact CG-CB 4.42Å; P361-W375 HydrophobicContact CB-CE3 4.16Å; P361-W375 HydrophobicContact CB-CH2 4.21Å; P361-W375 HydrophobicContact CB-CZ3 3.84Å; P361-W375 HydrophobicContact CG-CZ3 4.23Å; E373-W375 VanDerWaalsContact O-CD1 3.29Å
376	R	97.4	Very high	91.1	Very high	63 Å²	63	38 Å²	38	24%	0.238	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	138.2	179.8	-166.3	-164.9	64.9	154.2	0.8	111.7	A247 Y248 L359 V360 K362	A247-R376 WeakPolarHBondContact O-CA 3.3Å; A247-R376 WeakPolarHBondContact O-CG 3.41Å; Y248-R376 HydrophobicContact CD1-CB 3.77Å; Y248-R376 HydrophobicContact CD1-CG 3.88Å; Y248-R376 HydrophobicContact CE1-CB 3.71Å; Y248-R376 HydrophobicContact CE1-CG 3.61Å; Y248-R376 HydrophobicContact CE2-CG 4.44Å; Y248-R376 HydrophobicContact CG-CG 4.41Å; L359-R376 WeakPolarHBondContact CA-O 3.37Å; V360-R376 HydrophobicContact CG2-CB 4.31Å; V360-R376 WeakPolarHBondContact CG2-O 3.41Å; V360-R376 PolarHBondContact N-O 3.47Å; V360-R376 PolarHBondContact O-N 3.37Å; K362-R376 HydrophobicContact CB-CB 4.12Å
377	L	97.9	Very high	91.9	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	146.1	172.8	-72.7	175.9	0	0	0	112.9	A247 Y249 P331 T334 F357 Y358 L359 F379 I485	A247-L377 PolarHBondContact O-N 2.96Å; Y249-L377 HydrophobicContact CD2-CD1 4.42Å; Y249-L377 HydrophobicContact CD2-CG 4.05Å; Y249-L377 HydrophobicContact CE2-CD1 3.6Å; Y249-L377 HydrophobicContact CE2-CD2 4.39Å; Y249-L377 HydrophobicContact CE2-CG 3.73Å; P331-L377 HydrophobicContact CG-CD1 4.19Å; P331-L377 HydrophobicContact CG-CD2 4.12Å; T334-L377 HydrophobicContact CG2-CD1 4.16Å; F357-L377 HydrophobicContact CD2-CD2 3.43Å; F357-L377 VanDerWaalsContact CD2-CD2 3.43Å; F357-L377 HydrophobicContact CE2-CD2 3.68Å; F357-L377 HydrophobicContact CG-CD2 4.48Å; Y358-L377 CarbonylContact O-C 3.54Å; L359-L377 HydrophobicContact CD2-CD2 3.81Å; L359-L377 HydrophobicContact CD2-CG 4.28Å; L377-F379 HydrophobicContact CB-CE2 3.94Å; L377-F379 HydrophobicContact CB-CZ 4.5Å; L377-F379 HydrophobicContact CD1-CE2 4.14Å; L377-F379 HydrophobicContact CD1-CZ 4.28Å; L377-F379 HydrophobicContact CD2-CZ 4.37Å; L377-F379 HydrophobicContact CG-CE2 4.47Å; L377-I485 HydrophobicContact CB-CD1 4.09Å; L377-I485 HydrophobicContact CD1-CD1 3.77Å; L377-I485 HydrophobicContact CD1-CG1 4.21Å
378	S	97.6	Very high	92.8	Very high	6 Å²	6	33.2 Å²	33.2	4%	0.042	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	124.9	178.5	179.3	0	0	0	0	110.8	Y358 S380	Y358-S378 PolarHBondContact N-O 2.86Å; Y358-S378 PolarHBondContact O-N 2.92Å; S378-S380 PolarHBondContact OG-OG 2.69Å
379	F	97.8	Very high	94	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.018	16%	0.159	C	C	.	.			trans	-117.2	18.4	179.2	-64.5	-76.2	0	0	0	112.4	W330 T334 F357 L377 H381 I382 E383 F484 I485	W330-F379 HydrophobicContact CD2-CD1 4.44Å; W330-F379 AromaticContact CD2-CE1 3.61Å; W330-F379 HydrophobicContact CD2-CE1 3.61Å; W330-F379 HydrophobicContact CD2-CZ 4.34Å; W330-F379 AromaticContact CE2-CE1 3.82Å; W330-F379 HydrophobicContact CE3-CD1 4.23Å; W330-F379 AromaticContact CE3-CE1 3.52Å; W330-F379 HydrophobicContact CE3-CE1 3.52Å; W330-F379 HydrophobicContact CE3-CZ 4.05Å; W330-F379 HydrophobicContact CG-CE1 4.3Å; W330-F379 AromaticContact CH2-CD1 3.78Å; W330-F379 HydrophobicContact CH2-CD1 3.78Å; W330-F379 AromaticContact CH2-CE1 3.9Å; W330-F379 HydrophobicContact CH2-CE1 3.9Å; W330-F379 AromaticContact CZ2-CD1 3.98Å; W330-F379 HydrophobicContact CZ2-CD1 3.98Å; W330-F379 AromaticContact CZ2-CE1 3.96Å; W330-F379 HydrophobicContact CZ2-CE1 3.96Å; W330-F379 AromaticContact CZ3-CD1 3.91Å; W330-F379 HydrophobicContact CZ3-CD1 3.91Å; W330-F379 AromaticContact CZ3-CE1 3.68Å; W330-F379 HydrophobicContact CZ3-CE1 3.68Å; W330-F379 HydrophobicContact CZ3-CZ 4.4Å; T334-F379 HydrophobicContact CG2-CE2 4.33Å; T334-F379 HydrophobicContact CG2-CZ 3.91Å; F357-F379 HydrophobicContact CB-CD1 4.33Å; F357-F379 HydrophobicContact CB-CE1 3.62Å; F357-F379 HydrophobicContact CB-CZ 4.23Å; L377-F379 HydrophobicContact CB-CE2 3.94Å; L377-F379 HydrophobicContact CB-CZ 4.5Å; L377-F379 HydrophobicContact CD1-CE2 4.14Å; L377-F379 HydrophobicContact CD1-CZ 4.28Å; L377-F379 HydrophobicContact CD2-CZ 4.37Å; L377-F379 HydrophobicContact CG-CE2 4.47Å; F379-H381 PolarHBondContact O-N 3.49Å; F379-I382 HydrophobicContact CB-CB 4.44Å; F379-I382 HydrophobicContact CB-CG1 4.5Å; F379-I382 HydrophobicContact CD1-CG1 4.42Å; F379-I382 WeakPolarHBondContact O-CA 3.31Å; F379-I382 WeakPolarHBondContact O-CB 3.37Å; F379-I382 PolarHBondContact O-N 2.75Å; F379-E383 WeakPolarHBondContact O-CG 3.5Å; F379-E383 PolarHBondContact O-N 3.32Å; F379-F484 HydrophobicContact CB-CD1 3.76Å; F379-F484 HydrophobicContact CB-CD2 3.79Å; F379-F484 HydrophobicContact CB-CE1 3.72Å; F379-F484 HydrophobicContact CB-CE2 3.76Å; F379-F484 HydrophobicContact CB-CG 3.8Å; F379-F484 HydrophobicContact CB-CZ 3.73Å; F379-F484 HydrophobicContact CD1-CD1 4.1Å; F379-F484 HydrophobicContact CD1-CG 4.45Å; F379-F484 HydrophobicContact CD2-CB 3.44Å; F379-F484 VanDerWaalsContact CD2-CB 3.44Å; F379-F484 AromaticContact CD2-CD1 3.97Å; F379-F484 HydrophobicContact CD2-CD1 3.97Å; F379-F484 AromaticContact CD2-CD2 3.92Å; F379-F484 HydrophobicContact CD2-CD2 3.92Å; F379-F484 AromaticContact CD2-CG 3.49Å; F379-F484 HydrophobicContact CD2-CG 3.49Å; F379-F484 VanDerWaalsContact CD2-CG 3.49Å; F379-F484 HydrophobicContact CE2-CB 3.69Å; F379-F484 HydrophobicContact CE2-CG 4.22Å; F379-F484 HydrophobicContact CG-CB 4.06Å; F379-F484 AromaticContact CG-CD1 3.66Å; F379-F484 HydrophobicContact CG-CD1 3.66Å; F379-F484 HydrophobicContact CG-CD2 4.08Å; F379-F484 HydrophobicContact CG-CE1 4.11Å; F379-F484 AromaticContact CG-CG 3.64Å; F379-F484 HydrophobicContact CG-CG 3.64Å; F379-F484 HydrophobicContact CZ-CB 4.48Å; F379-I485 HydrophobicContact CE2-CD1 4.42Å; F379-I485 HydrophobicContact CE2-CG1 4.45Å
380	S	96.1	Very high	94.7	Very high	25 Å²	25	30 Å²	30	18%	0.175	15%	0.149	C	C	.	.	H	α-helix	trans	-56.5	-24	-171.1	-54.2	0	0	0	0	115.3	S378 K384	S378-S380 PolarHBondContact OG-OG 2.69Å; S380-K384 WeakPolarHBondContact O-CB 3.49Å; S380-K384 PolarHBondContact O-N 2.96Å; S380-K384 VanDerWaalsContact O-N 3.09Å
381	H	97.1	Very high	95.4	Very high	23 Å²	23	27.8 Å²	27.8	11%	0.106	14%	0.142	C	C	.	.	H	α-helix	trans	-75.9	-35.7	172.9	78.7	-72.9	0	0	0	112.8	L209 T211 P356 Y358 F379 E385	L209-H381 HydrophobicContact CD1-CB 4.29Å; T211-H381 HydrophobicContact CG2-CB 3.86Å; P356-H381 PolarHBondContact O-CE1 3.42Å; P356-H381 PolarHBondContact O-NE2 3.44Å; Y358-H381 AromaticContact CD2-CE1 3.74Å; Y358-H381 AromaticContact CD2-ND1 3.46Å; Y358-H381 WeakPolarHBondContact CD2-ND1 3.36Å; Y358-H381 AromaticContact CE2-CE1 3.47Å; Y358-H381 VanDerWaalsContact CE2-CE1 3.47Å; Y358-H381 WeakPolarHBondContact CE2-CE1 3.25Å; Y358-H381 AromaticContact CE2-CG 3.83Å; Y358-H381 AromaticContact CE2-ND1 3.26Å; Y358-H381 VanDerWaalsContact CE2-ND1 3.26Å; Y358-H381 WeakPolarHBondContact CE2-ND1 3.49Å; F379-H381 PolarHBondContact O-N 3.49Å; H381-E385 WeakPolarHBondContact O-CB 3.14Å; H381-E385 PolarHBondContact O-N 2.79Å
382	I	97.9	Very high	95.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.7	-41	170.7	-51.2	-63.5	0	0	0	110.2	W330 L338 L352 K355 F379 K384 E385 I386 F484	W330-I382 HydrophobicContact CH2-CD1 4.32Å; W330-I382 HydrophobicContact CH2-CG1 3.92Å; W330-I382 HydrophobicContact CZ2-CD1 3.98Å; W330-I382 HydrophobicContact CZ2-CG1 3.9Å; L338-I382 HydrophobicContact CD1-CG2 4.39Å; L352-I382 HydrophobicContact CB-CD1 4.21Å; L352-I382 HydrophobicContact CB-CG2 4.32Å; L352-I382 HydrophobicContact CD1-CG2 3.95Å; L352-I382 HydrophobicContact CD2-CD1 4.04Å; L352-I382 HydrophobicContact CD2-CG2 4.22Å; L352-I382 HydrophobicContact CG-CG2 4.38Å; K355-I382 HydrophobicContact CB-CD1 4.2Å; K355-I382 HydrophobicContact CD-CD1 4.26Å; F379-I382 HydrophobicContact CB-CB 4.44Å; F379-I382 HydrophobicContact CB-CG1 4.5Å; F379-I382 HydrophobicContact CD1-CG1 4.42Å; F379-I382 WeakPolarHBondContact O-CA 3.31Å; F379-I382 WeakPolarHBondContact O-CB 3.37Å; F379-I382 PolarHBondContact O-N 2.75Å; I382-K384 VanDerWaalsContact C-N 3.29Å; I382-K384 PolarHBondContact O-N 3.35Å; I382-E385 PolarHBondContact O-N 3.15Å; I382-E385 VanDerWaalsContact O-N 3.08Å; I382-I386 HydrophobicContact CG2-CD1 3.88Å; I382-I386 HydrophobicContact CG2-CG1 4.26Å; I382-I386 VanDerWaalsContact O-CG1 3.29Å; I382-I386 WeakPolarHBondContact O-CG1 3.48Å; I382-I386 PolarHBondContact O-N 3.32Å; I382-F484 HydrophobicContact CB-CE1 3.96Å; I382-F484 HydrophobicContact CB-CZ 4.23Å; I382-F484 HydrophobicContact CG2-CE1 3.68Å; I382-F484 HydrophobicContact CG2-CZ 4.14Å
383	E	97.8	Very high	96	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-57.9	-43.1	175.4	-63.4	172.9	175.8	0	0	111.2	F379 L387 Y436 K439 F443 F484	F379-E383 WeakPolarHBondContact O-CG 3.5Å; F379-E383 PolarHBondContact O-N 3.32Å; E383-L387 WeakPolarHBondContact O-CB 3.36Å; E383-L387 WeakPolarHBondContact O-CG 3.3Å; E383-L387 PolarHBondContact O-N 3.46Å; E383-Y436 WeakPolarHBondContact OE1-CE2 3.48Å; E383-Y436 PolarHBondContact OE1-OH 2.8Å; E383-K439 WeakPolarHBondContact OE2-CE 3.44Å; E383-K439 IonicContact OE2-NZ 3.14Å; E383-K439 PolarHBondContact OE2-NZ 3.02Å; E383-F443 HydrophobicContact CB-CE2 4.14Å; E383-F443 HydrophobicContact CB-CZ 4.16Å; E383-F443 HydrophobicContact CG-CE2 4.01Å; E383-F484 HydrophobicContact CG-CE2 3.48Å; E383-F484 VanDerWaalsContact CG-CE2 3.48Å; E383-F484 HydrophobicContact CG-CZ 3.6Å; E383-F484 WeakPolarHBondContact OE1-CE2 3.4Å
384	K	96.1	Very high	96	Very high	56 Å²	56	36 Å²	36	24%	0.243	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-45.2	171	177.5	-175.4	175.5	-174.9	0	112.4	H210 Y215 E216 S380 I382 L387 S388	H210-K384 WeakPolarHBondContact O-CD 3.36Å; H210-K384 WeakPolarHBondContact O-CE 3.44Å; H210-K384 PolarHBondContact O-NZ 3.36Å; Y215-K384 VanDerWaalsContact O-CE 3.29Å; Y215-K384 WeakPolarHBondContact O-CE 3.24Å; E216-K384 HydrophobicContact CG-CB 4.02Å; E216-K384 HydrophobicContact CG-CG 4.28Å; S380-K384 WeakPolarHBondContact O-CB 3.49Å; S380-K384 PolarHBondContact O-N 2.96Å; S380-K384 VanDerWaalsContact O-N 3.09Å; I382-K384 VanDerWaalsContact C-N 3.29Å; I382-K384 PolarHBondContact O-N 3.35Å; K384-L387 CarbonylContact O-C 3.53Å; K384-L387 PolarHBondContact O-N 3.14Å; K384-S388 PolarHBondContact O-N 3.05Å; K384-S388 PolarHBondContact O-OG 3.36Å
385	E	96.7	Very high	95.8	Very high	58 Å²	58	38.4 Å²	38.4	27%	0.271	20%	0.196	S	C	.	.	H	α-helix	trans	-67	-37.7	-178.2	-170.9	166.9	-178.8	0	0	113	L352 K355 H381 I382 S388 N389	L352-E385 HydrophobicContact CD2-CB 4.35Å; L352-E385 HydrophobicContact CD2-CG 3.92Å; L352-E385 VanDerWaalsContact CD2-OE2 3.31Å; L352-E385 WeakPolarHBondContact CD2-OE2 3.22Å; K355-E385 WeakPolarHBondContact CE-OE2 3.19Å; K355-E385 IonicContact NZ-OE1 2.59Å; K355-E385 PolarHBondContact NZ-OE1 3.47Å; K355-E385 IonicContact NZ-OE2 3.29Å; K355-E385 PolarHBondContact NZ-OE2 3.4Å; H381-E385 WeakPolarHBondContact O-CB 3.14Å; H381-E385 PolarHBondContact O-N 2.79Å; I382-E385 PolarHBondContact O-N 3.15Å; I382-E385 VanDerWaalsContact O-N 3.08Å; E385-S388 PolarHBondContact O-N 3.19Å; E385-N389 WeakPolarHBondContact O-CB 3.33Å; E385-N389 PolarHBondContact O-N 3.11Å; E385-N389 PolarHBondContact O-ND2 3.32Å
386	I	96.9	Very high	95.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-45.5	170	-67.6	165.5	0	0	0	110.3	L338 W343 L344 L352 I382 N389 H390 F443 Y483 F484	L338-I386 HydrophobicContact CD1-CD1 3.61Å; W343-I386 HydrophobicContact CH2-CG2 3.41Å; W343-I386 VanDerWaalsContact CH2-CG2 3.41Å; W343-I386 HydrophobicContact CZ2-CG2 4.28Å; W343-I386 HydrophobicContact CZ3-CG2 3.77Å; L344-I386 HydrophobicContact CD1-CG1 4.25Å; L344-I386 HydrophobicContact CD1-CG2 4.3Å; L352-I386 HydrophobicContact CD1-CG1 4.31Å; I382-I386 HydrophobicContact CG2-CD1 3.88Å; I382-I386 HydrophobicContact CG2-CG1 4.26Å; I382-I386 VanDerWaalsContact O-CG1 3.29Å; I382-I386 WeakPolarHBondContact O-CG1 3.48Å; I382-I386 PolarHBondContact O-N 3.32Å; I386-N389 CarbonylContact O-C 3.4Å; I386-N389 PolarHBondContact O-N 3.21Å; I386-H390 VanDerWaalsContact O-CA 3.23Å; I386-H390 WeakPolarHBondContact O-CA 3.16Å; I386-H390 WeakPolarHBondContact O-CB 3.17Å; I386-H390 PolarHBondContact O-N 2.99Å; I386-H390 VanDerWaalsContact O-N 3.14Å; I386-F443 HydrophobicContact CB-CE1 4.37Å; I386-F443 HydrophobicContact CG2-CD1 4.03Å; I386-F443 HydrophobicContact CG2-CE1 3.66Å; I386-F443 HydrophobicContact CG2-CZ 4.33Å; I386-Y483 HydrophobicContact CD1-CE1 4.26Å; I386-F484 HydrophobicContact CD1-CE1 4.49Å; I386-F484 HydrophobicContact CD1-CZ 4.22Å
387	L	96.3	Very high	95.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68	-32.7	177.6	-75.9	177.7	0	0	0	112.8	E216 V218 E383 K384 H390 K407 L410 K439 F442 F443	E216-L387 HydrophobicContact CB-CD1 3.89Å; E216-L387 HydrophobicContact CG-CD1 3.98Å; V218-L387 HydrophobicContact CG2-CD1 4.26Å; E383-L387 WeakPolarHBondContact O-CB 3.36Å; E383-L387 WeakPolarHBondContact O-CG 3.3Å; E383-L387 PolarHBondContact O-N 3.46Å; K384-L387 CarbonylContact O-C 3.53Å; K384-L387 PolarHBondContact O-N 3.14Å; L387-H390 PolarHBondContact O-ND1 3.48Å; L387-K407 WeakPolarHBondContact O-CE 3.31Å; L387-K407 PolarHBondContact O-NZ 3.44Å; L387-K407 VanDerWaalsContact O-NZ 3.11Å; L387-L410 HydrophobicContact CD1-CD2 4.17Å; L387-L410 HydrophobicContact CD2-CD2 3.75Å; L387-K439 HydrophobicContact CD1-CD 4.01Å; L387-F442 HydrophobicContact CD2-CE1 3.9Å; L387-F443 HydrophobicContact CD1-CZ 4.4Å; L387-F443 HydrophobicContact CD2-CE1 3.82Å; L387-F443 HydrophobicContact CD2-CZ 4.38Å; L387-F443 HydrophobicContact CG-CE1 3.88Å; L387-F443 HydrophobicContact CG-CZ 4Å
388	S	94.5	Very high	94.8	Very high	56 Å²	56	44.4 Å²	44.4	39%	0.392	23%	0.233	S	C	.	.	H	α-helix	trans	-65.6	-49	171	-68.3	0	0	0	0	110.9	K384 E385 H390	K384-S388 PolarHBondContact O-N 3.05Å; K384-S388 PolarHBondContact O-OG 3.36Å; E385-S388 PolarHBondContact O-N 3.19Å; S388-H390 PolarHBondContact O-ND1 2.71Å
389	N	94.9	Very high	94	Very high	102 Å²	102	48.8 Å²	48.8	55%	0.545	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	57.5	-174.5	-52.7	-87.4	0	0	0	110.9	L344 E385 I386 G391	L344-N389 WeakPolarHBondContact CD1-O 3.31Å; L344-N389 WeakPolarHBondContact CD2-O 3.24Å; E385-N389 WeakPolarHBondContact O-CB 3.33Å; E385-N389 PolarHBondContact O-N 3.11Å; E385-N389 PolarHBondContact O-ND2 3.32Å; I386-N389 CarbonylContact O-C 3.4Å; I386-N389 PolarHBondContact O-N 3.21Å; N389-G391 PolarHBondContact O-N 3.17Å
390	H	95.2	Very high	92.5	Very high	11 Å²	11	57.7 Å²	57.7	5%	0.051	30%	0.295	C	S	.	.			trans	-87.6	2.3	-167.3	58	-88.6	0	0	0	114.9	W343 I386 L387 S388 C397 C404 R406	W343-H390 HydrophobicContact CZ2-CB 4.18Å; W343-H390 WeakPolarHBondContact CZ2-O 3.38Å; W343-H390 PolarHBondContact NE1-O 3.28Å; I386-H390 VanDerWaalsContact O-CA 3.23Å; I386-H390 WeakPolarHBondContact O-CA 3.16Å; I386-H390 WeakPolarHBondContact O-CB 3.17Å; I386-H390 PolarHBondContact O-N 2.99Å; I386-H390 VanDerWaalsContact O-N 3.14Å; L387-H390 PolarHBondContact O-ND1 3.48Å; S388-H390 PolarHBondContact O-ND1 2.71Å; H390-C397 PolarHBondContact NE2-SG 3.34Å; H390-C397 VanDerWaalsContact NE2-SG 3.37Å; H390-C404 VanDerWaalsContact CD2-SG 3.56Å; H390-R406 WeakPolarHBondContact O-CD 3.3Å; H390-R406 PolarHBondContact O-NH1 2.98Å
391	G	94.9	Very high	91.1	Very high	9 Å²	9	65 Å²	65	9%	0.093	33%	0.327	C	S	.	.			trans	-88.1	162.3	-177.2	0	0	0	0	0	114.8	L344 N389 S393 C396 D452	L344-G391 WeakPolarHBondContact CD2-O 3.25Å; N389-G391 PolarHBondContact O-N 3.17Å; G391-S393 CarbonylContact C-O 3.34Å; G391-C396 VanDerWaalsContact CA-CB 3.49Å; G391-D452 VanDerWaalsContact CA-OD1 3.28Å; G391-D452 WeakPolarHBondContact CA-OD1 3.47Å
392	K	94.8	Very high	90.1	Very high	82 Å²	82	69.1 Å²	69.1	36%	0.357	35%	0.347	S	S	.	.	S	Bend	trans	-77.3	-46.3	161.8	-175.4	61.3	-179.3	-179.5	0	110.6	N342 W343 P450 D452	N342-K392 PolarHBondContact O-NZ 2.98Å; W343-K392 WeakPolarHBondContact O-CD 3.4Å; W343-K392 PolarHBondContact O-NZ 2.84Å; K392-P450 WeakPolarHBondContact CB-O 3.43Å; K392-D452 WeakPolarHBondContact CB-OD2 3.34Å; K392-D452 VanDerWaalsContact N-CG 3.31Å; K392-D452 PolarHBondContact N-OD1 3.13Å; K392-D452 PolarHBondContact N-OD2 3.01Å
393	S	92.9	Very high	89.7	Confident	53 Å²	53	75.1 Å²	75.1	37%	0.371	37%	0.373	S	S	.	.	S	Bend	trans	-72.4	145	162.6	-174.2	0	0	0	0	109.7	G391 T395 C396 D452	G391-S393 CarbonylContact C-O 3.34Å; S393-T395 PolarHBondContact O-N 2.87Å; S393-T395 PolarHBondContact OG-N 3.5Å; S393-T395 VanDerWaalsContact OG-N 3.15Å; S393-T395 PolarHBondContact OG-OG1 2.89Å; S393-C396 WeakPolarHBondContact O-CB 3.14Å; S393-C396 PolarHBondContact O-N 3.21Å; S393-D452 PolarHBondContact N-OD2 3.03Å
394	K	91.1	Very high	89.5	Confident	196 Å²	196	75.4 Å²	75.4	85%	0.852	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-31.1	168.5	-61.7	178.2	-177	174.6	0	111.6	C396	K394-C396 PolarHBondContact O-N 2.93Å
395	T	90.9	Very high	89.6	Confident	49 Å²	49	72.9 Å²	72.9	30%	0.301	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	1.4	-176.6	62.5	0	0	0	0	114.8	S393 C397 E398 M402	S393-T395 PolarHBondContact O-N 2.87Å; S393-T395 PolarHBondContact OG-N 3.5Å; S393-T395 VanDerWaalsContact OG-N 3.15Å; S393-T395 PolarHBondContact OG-OG1 2.89Å; T395-C397 PolarHBondContact O-N 3.04Å; T395-E398 WeakPolarHBondContact CA-OE2 3.28Å; T395-E398 PolarHBondContact O-N 2.77Å; T395-E398 VanDerWaalsContact O-N 3.11Å; T395-M402 PolarHBondContact OG1-SD 3.03Å; T395-M402 VanDerWaalsContact OG1-SD 3.36Å
396	C	93.6	Very high	89.6	Confident	15 Å²	15	70.2 Å²	70.2	10%	0.101	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	120.4	-176.8	-168.5	0	0	0	0	110.6	G391 S393 K394 E398 D452	G391-C396 VanDerWaalsContact CA-CB 3.49Å; S393-C396 WeakPolarHBondContact O-CB 3.14Å; S393-C396 PolarHBondContact O-N 3.21Å; K394-C396 PolarHBondContact O-N 2.93Å; C396-E398 PolarHBondContact O-N 3.47Å; C396-D452 PolarHBondContact SG-OD1 3.13Å
397	C	91.6	Very high	89.6	Confident	50 Å²	50	71.7 Å²	71.7	34%	0.338	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	9.7	-173	-56.4	0	0	0	0	116.5	H390 T395 M402 C404	H390-C397 PolarHBondContact NE2-SG 3.34Å; H390-C397 VanDerWaalsContact NE2-SG 3.37Å; T395-C397 PolarHBondContact O-N 3.04Å; C397-M402 PolarHBondContact N-O 3.42Å; C397-C404 PolarHBondContact SG-N 3.22Å
398	E	87.3	Confident	89.6	Confident	132 Å²	132	74 Å²	74	62%	0.617	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-50.4	170.3	-68	-172.7	150	0	0	110.8	T395 C396	T395-E398 WeakPolarHBondContact CA-OE2 3.28Å; T395-E398 PolarHBondContact O-N 2.77Å; T395-E398 VanDerWaalsContact O-N 3.11Å; C396-E398 PolarHBondContact O-N 3.47Å
399	N	79.2	Confident	89.8	Confident	99 Å²	99	71.3 Å²	71.3	53%	0.529	35%	0.352	S	S	.	.	S	Bend	trans	-101.4	155.2	-178.6	-69.9	-10.4	0	0	0	111.8	E401 M402	N399-E401 PolarHBondContact O-N 3.17Å; N399-E401 VanDerWaalsContact O-N 3.09Å; N399-M402 PolarHBondContact O-N 2.73Å
400	K	67	Low	89.9	Confident	191 Å²	191	66.5 Å²	66.5	83%	0.83	33%	0.327	S	S	*	.	S	Bend	trans	-58.1	-26.7	-178.3	-73.8	-177.2	179.8	175.8	0	114.1	K403	K400-K403 WeakPolarHBondContact O-CE 3.38Å
401	E	67	Low	90	Very high	179 Å²	179	68.2 Å²	68.2	84%	0.836	33%	0.334	S	S	*	.	S	Bend	trans	-85.6	-39.3	-175.3	-66.3	161.6	-172.9	0	0	112.8	N399 K403	N399-E401 PolarHBondContact O-N 3.17Å; N399-E401 VanDerWaalsContact O-N 3.09Å; E401-K403 VanDerWaalsContact C-N 3.31Å; E401-K403 PolarHBondContact O-N 3.02Å
402	M	74.8	Confident	90.2	Very high	108 Å²	108	67.8 Å²	67.8	53%	0.532	33%	0.33	S	S	.	.	S	Bend	trans	-92.4	47.1	-176	-65	-173.4	179.4	0	0	112.5	T395 C397 N399	T395-M402 PolarHBondContact OG1-SD 3.03Å; T395-M402 VanDerWaalsContact OG1-SD 3.36Å; C397-M402 PolarHBondContact N-O 3.42Å; N399-M402 PolarHBondContact O-N 2.73Å
403	K	89.8	Confident	90.3	Very high	126 Å²	126	64.3 Å²	64.3	55%	0.548	32%	0.315	S	S	.	.			trans	-80.2	152.6	177.2	-69.4	-179.1	-179	-176.5	0	111.8	K400 E401 P457	K400-K403 WeakPolarHBondContact O-CE 3.38Å; E401-K403 VanDerWaalsContact C-N 3.31Å; E401-K403 PolarHBondContact O-N 3.02Å; K403-P457 HydrophobicContact CB-CG 3.83Å; K403-P457 WeakPolarHBondContact O-CD 3.23Å; K403-P457 VanDerWaalsContact O-CG 3.24Å; K403-P457 WeakPolarHBondContact O-CG 3.5Å
404	C	95.1	Very high	90.5	Very high	11 Å²	11	62.7 Å²	62.7	7%	0.074	30%	0.301	C	S	.	.			trans	-127.4	160.3	164.3	80.2	0	0	0	0	111.1	H390 C397 W455	H390-C404 VanDerWaalsContact CD2-SG 3.56Å; C397-C404 PolarHBondContact SG-N 3.22Å; C404-W455 CarbonylContact C-O 3.55Å; C404-W455 WeakPolarHBondContact CA-O 3.1Å; C404-W455 HydrophobicContact CB-CB 3.98Å; C404-W455 VanDerWaalsContact CB-O 3.27Å; C404-W455 WeakPolarHBondContact CB-O 3.47Å
405	C	96.6	Very high	90.8	Very high	3 Å²	3	54 Å²	54	2%	0.02	26%	0.263	C	S	.	.	S	Bend	trans	-86.2	3.1	-177.8	64.4	0	0	0	0	114.7	K407 D408 C409 W455 L460 C463	C405-K407 PolarHBondContact O-N 3.07Å; C405-D408 PolarHBondContact O-N 3.05Å; C405-C409 PolarHBondContact O-N 3.08Å; C405-C409 PolarHBondContact O-SG 3.28Å; C405-W455 PolarHBondContact N-O 2.68Å; C405-W455 VanDerWaalsContact SG-C 3.53Å; C405-W455 VanDerWaalsContact SG-CA 3.6Å; C405-W455 PolarHBondContact SG-O 3.14Å; C405-L460 HydrophobicContact CB-CD1 3.96Å; C405-C463 WeakPolarHBondContact SG-CB 3.48Å; C405-C463 PolarHBondContact SG-SG 3.07Å
406	R	97.7	Very high	91.1	Very high	1 Å²	1	51.7 Å²	51.7	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-49	-56.2	-174.4	-83.6	-166.2	-167.9	94.7	-10.8	113.7	H390 D408 C409 L410 F442 P450 Q451 D452 W455	H390-R406 WeakPolarHBondContact O-CD 3.3Å; H390-R406 PolarHBondContact O-NH1 2.98Å; R406-D408 VanDerWaalsContact C-N 3.26Å; R406-D408 PolarHBondContact O-N 3.34Å; R406-C409 PolarHBondContact O-N 2.86Å; R406-L410 PolarHBondContact O-N 3.13Å; R406-F442 HydrophobicContact CB-CE2 4.46Å; R406-F442 HydrophobicContact CB-CZ 3.97Å; R406-F442 HydrophobicContact CG-CZ 4.45Å; R406-F442 WeakPolarHBondContact O-CE2 3.26Å; R406-F442 VanDerWaalsContact O-CZ 3.24Å; R406-F442 WeakPolarHBondContact O-CZ 3.25Å; R406-P450 PolarHBondContact NH2-O 2.82Å; R406-Q451 PolarHBondContact NH2-O 2.62Å; R406-D452 IonicContact CZ-OD1 3.91Å; R406-D452 IonicContact NH1-OD1 3.66Å; R406-D452 PolarHBondContact NH1-OD1 3.35Å; R406-D452 IonicContact NH2-OD1 2.66Å; R406-D452 PolarHBondContact NH2-OD1 3.41Å; R406-W455 HydrophobicContact CB-CE3 4.39Å; R406-W455 HydrophobicContact CG-CB 3.96Å; R406-W455 HydrophobicContact CG-CD2 3.37Å; R406-W455 HydrophobicContact CG-CE3 3.62Å; R406-W455 HydrophobicContact CG-CG 3.53Å; R406-W455 HydrophobicContact CG-CZ2 4.46Å; R406-W455 HydrophobicContact CG-CZ3 4.26Å; R406-W455 VanDerWaalsContact NE-CD1 3.34Å
407	K	96.6	Very high	91.3	Very high	32 Å²	32	51.4 Å²	51.4	14%	0.139	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-30.6	179.2	-73.1	-160.6	179.2	-167.2	0	113.1	E216 V218 L387 C405 L410 K411	E216-K407 PolarHBondContact O-NZ 3.49Å; V218-K407 HydrophobicContact CG1-CB 4.31Å; V218-K407 HydrophobicContact CG1-CD 4.03Å; V218-K407 HydrophobicContact CG1-CG 4.2Å; L387-K407 WeakPolarHBondContact O-CE 3.31Å; L387-K407 PolarHBondContact O-NZ 3.44Å; L387-K407 VanDerWaalsContact O-NZ 3.11Å; C405-K407 PolarHBondContact O-N 3.07Å; K407-L410 PolarHBondContact O-N 2.98Å; K407-K411 VanDerWaalsContact O-CG 3.31Å; K407-K411 WeakPolarHBondContact O-CG 3.44Å; K407-K411 PolarHBondContact O-N 2.91Å
408	D	96.6	Very high	91.4	Very high	49 Å²	49	52.3 Å²	52.3	26%	0.262	25%	0.246	S	C	.	.	H	α-helix	trans	-77.9	-36.4	-177.4	-69.4	-20.9	0	0	0	111.5	L169 C405 R406 L410 K411 L412 L460	L169-D408 HydrophobicContact CD1-CB 3.72Å; L169-D408 HydrophobicContact CD2-CB 3.69Å; L169-D408 HydrophobicContact CG-CB 4.38Å; C405-D408 PolarHBondContact O-N 3.05Å; R406-D408 VanDerWaalsContact C-N 3.26Å; R406-D408 PolarHBondContact O-N 3.34Å; D408-L410 VanDerWaalsContact C-N 3.34Å; D408-L410 PolarHBondContact O-N 3.41Å; D408-K411 PolarHBondContact O-N 2.95Å; D408-K411 IonicContact OD1-NZ 3.33Å; D408-K411 PolarHBondContact OD1-NZ 2.78Å; D408-L412 WeakPolarHBondContact O-CG 3.41Å; D408-L412 PolarHBondContact O-N 3.27Å; D408-L460 HydrophobicContact CB-CD1 4.32Å
409	C	98.1	Very high	91.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-43	168.1	-59.7	0	0	0	0	111.2	C405 R406 K411 L412 M413 W455	C405-C409 PolarHBondContact O-N 3.08Å; C405-C409 PolarHBondContact O-SG 3.28Å; R406-C409 PolarHBondContact O-N 2.86Å; C409-K411 PolarHBondContact O-N 3.44Å; C409-L412 PolarHBondContact O-N 2.91Å; C409-M413 WeakPolarHBondContact O-CB 3.46Å; C409-M413 VanDerWaalsContact O-CG 3.28Å; C409-M413 WeakPolarHBondContact O-CG 3.14Å; C409-M413 PolarHBondContact O-N 3.13Å; C409-W455 HydrophobicContact CB-CZ3 4.15Å
410	L	98.3	Very high	92.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-38.6	174.9	177.9	57.7	0	0	0	112.7	V218 L387 R406 K407 D408 K414 V438 K439 F442	V218-L410 HydrophobicContact CG1-CD2 4.19Å; V218-L410 HydrophobicContact CG2-CD2 4.41Å; L387-L410 HydrophobicContact CD1-CD2 4.17Å; L387-L410 HydrophobicContact CD2-CD2 3.75Å; R406-L410 PolarHBondContact O-N 3.13Å; K407-L410 PolarHBondContact O-N 2.98Å; D408-L410 VanDerWaalsContact C-N 3.34Å; D408-L410 PolarHBondContact O-N 3.41Å; L410-K414 HydrophobicContact CD1-CG 4.37Å; L410-K414 WeakPolarHBondContact O-CB 3.47Å; L410-K414 WeakPolarHBondContact O-CG 3.39Å; L410-K414 PolarHBondContact O-N 2.76Å; L410-V438 HydrophobicContact CD1-CG1 3.93Å; L410-K439 HydrophobicContact CD1-CB 4.44Å; L410-K439 HydrophobicContact CD2-CG 4.38Å; L410-F442 HydrophobicContact CB-CD1 4.27Å; L410-F442 HydrophobicContact CB-CD2 4.02Å; L410-F442 HydrophobicContact CB-CE1 4.23Å; L410-F442 HydrophobicContact CB-CE2 3.98Å; L410-F442 HydrophobicContact CB-CG 4.16Å; L410-F442 HydrophobicContact CB-CZ 4.07Å; L410-F442 HydrophobicContact CD1-CB 4.05Å; L410-F442 HydrophobicContact CD1-CD1 4.2Å; L410-F442 HydrophobicContact CD1-CG 4.02Å; L410-F442 HydrophobicContact CD2-CD1 3.84Å; L410-F442 HydrophobicContact CD2-CE1 3.9Å; L410-F442 HydrophobicContact CD2-CG 4.42Å; L410-F442 HydrophobicContact CG-CD1 4.33Å; L410-F442 HydrophobicContact CG-CG 4.42Å
411	K	97.2	Very high	93.8	Very high	47 Å²	47	35.9 Å²	35.9	20%	0.204	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-47.7	173.5	-71.9	168.9	-163.7	160.4	0	111.7	L169 I220 K407 D408 C409 M413 K414 Y415	L169-K411 HydrophobicContact CD2-CB 4.15Å; L169-K411 HydrophobicContact CD2-CD 4.21Å; I220-K411 HydrophobicContact CG2-CB 3.76Å; I220-K411 HydrophobicContact CG2-CD 4.48Å; I220-K411 HydrophobicContact CG2-CG 3.76Å; K407-K411 VanDerWaalsContact O-CG 3.31Å; K407-K411 WeakPolarHBondContact O-CG 3.44Å; K407-K411 PolarHBondContact O-N 2.91Å; D408-K411 PolarHBondContact O-N 2.95Å; D408-K411 IonicContact OD1-NZ 3.33Å; D408-K411 PolarHBondContact OD1-NZ 2.78Å; C409-K411 PolarHBondContact O-N 3.44Å; K411-M413 PolarHBondContact O-N 3.15Å; K411-K414 PolarHBondContact O-N 3.47Å; K411-Y415 WeakPolarHBondContact O-CB 3.31Å; K411-Y415 PolarHBondContact O-N 3.18Å
412	L	97.8	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.6	-42.3	178.1	-72.2	165.7	0	0	0	111.8	L165 V168 L169 D408 C409 Y415 L416 L460 F464 F519	L165-L412 HydrophobicContact CB-CD1 4.18Å; L165-L412 HydrophobicContact CD2-CD1 4.14Å; L165-L412 HydrophobicContact CD2-CD2 4.06Å; V168-L412 HydrophobicContact CB-CD2 4.14Å; V168-L412 HydrophobicContact CG1-CD2 3.71Å; L169-L412 HydrophobicContact CD1-CD1 4.11Å; L169-L412 HydrophobicContact CD2-CD1 4.44Å; L169-L412 HydrophobicContact CD2-CD2 4.43Å; L169-L412 HydrophobicContact CD2-CG 4.02Å; L169-L412 HydrophobicContact CG-CD1 4.22Å; L169-L412 HydrophobicContact CG-CD2 4.18Å; L169-L412 HydrophobicContact CG-CG 4.1Å; D408-L412 WeakPolarHBondContact O-CG 3.41Å; D408-L412 PolarHBondContact O-N 3.27Å; C409-L412 PolarHBondContact O-N 2.91Å; L412-Y415 PolarHBondContact O-N 3.44Å; L412-L416 WeakPolarHBondContact O-CB 3.3Å; L412-L416 PolarHBondContact O-N 3.47Å; L412-L460 HydrophobicContact CD1-CD1 4.09Å; L412-F464 HydrophobicContact CB-CD2 3.59Å; L412-F464 HydrophobicContact CB-CE2 3.48Å; L412-F464 VanDerWaalsContact CB-CE2 3.48Å; L412-F464 HydrophobicContact CB-CG 4.27Å; L412-F464 HydrophobicContact CB-CZ 4.05Å; L412-F464 HydrophobicContact CD1-CB 4.38Å; L412-F464 HydrophobicContact CD1-CD2 4.24Å; L412-F464 HydrophobicContact CD1-CG 4.13Å; L412-F519 HydrophobicContact CD2-CE2 4.29Å; L412-F519 HydrophobicContact CD2-CZ 4.41Å
413	M	98.2	Very high	96	Very high	9 Å²	9	28.9 Å²	28.9	4%	0.044	13%	0.132	C	C	.	.	H	α-helix	trans	-65.8	-38	175.7	-72.5	-68.5	-67.2	0	0	112.9	C409 K411 L417 V438 F464 C467 V468 F471	C409-M413 WeakPolarHBondContact O-CB 3.46Å; C409-M413 VanDerWaalsContact O-CG 3.28Å; C409-M413 WeakPolarHBondContact O-CG 3.14Å; C409-M413 PolarHBondContact O-N 3.13Å; K411-M413 PolarHBondContact O-N 3.15Å; M413-L417 PolarHBondContact O-N 3.17Å; M413-V438 HydrophobicContact CB-CG1 3.47Å; M413-V438 VanDerWaalsContact CB-CG1 3.47Å; M413-F464 HydrophobicContact CG-CD2 3.99Å; M413-F464 HydrophobicContact CG-CE2 3.78Å; M413-F464 HydrophobicContact SD-CD2 4.07Å; M413-F464 HydrophobicContact SD-CE2 3.59Å; M413-F464 VanDerWaalsContact SD-CE2 3.59Å; M413-F464 HydrophobicContact SD-CZ 4.5Å; M413-C467 HydrophobicContact CE-CB 4.21Å; M413-C467 WeakPolarHBondContact CE-O 3.38Å; M413-C467 HydrophobicContact CG-CB 3.54Å; M413-C467 HydrophobicContact SD-CB 3.65Å; M413-V468 HydrophobicContact SD-CB 4.37Å; M413-V468 HydrophobicContact SD-CG2 3.53Å; M413-V468 VanDerWaalsContact SD-CG2 3.53Å; M413-F471 HydrophobicContact CE-CB 3.62Å; M413-F471 HydrophobicContact CE-CD1 4.18Å; M413-F471 HydrophobicContact CE-CG 3.95Å
414	K	96.9	Very high	96.1	Very high	18 Å²	18	24.2 Å²	24.2	8%	0.078	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-46.6	172.5	-80.3	-178.5	59.6	179.6	0	111.1	V218 I220 L410 K411 L417 E418 V438	V218-K414 PolarHBondContact O-NZ 2.89Å; I220-K414 HydrophobicContact CD1-CB 3.74Å; L410-K414 HydrophobicContact CD1-CG 4.37Å; L410-K414 WeakPolarHBondContact O-CB 3.47Å; L410-K414 WeakPolarHBondContact O-CG 3.39Å; L410-K414 PolarHBondContact O-N 2.76Å; K411-K414 PolarHBondContact O-N 3.47Å; K414-L417 PolarHBondContact O-N 2.8Å; K414-E418 WeakPolarHBondContact O-CB 3.29Å; K414-E418 PolarHBondContact O-N 3.49Å; K414-V438 HydrophobicContact CG-CG1 4.24Å
415	Y	96.4	Very high	95.9	Very high	13 Å²	13	29.3 Å²	29.3	5%	0.051	13%	0.133	C	C	.	.	H	α-helix	trans	-63.3	-42.2	-179.7	-174.1	-126.8	0	0	0	111.1	V168 L172 I220 K411 L412 L417 E418 Q419 F519	V168-Y415 HydrophobicContact CG1-CD1 3.72Å; V168-Y415 HydrophobicContact CG1-CE1 3.71Å; L172-Y415 HydrophobicContact CD1-CD1 3.9Å; L172-Y415 HydrophobicContact CD1-CD2 4.4Å; L172-Y415 HydrophobicContact CD1-CG 3.8Å; L172-Y415 HydrophobicContact CD2-CD1 4.16Å; L172-Y415 HydrophobicContact CD2-CD2 3.6Å; L172-Y415 HydrophobicContact CD2-CE1 4.24Å; L172-Y415 HydrophobicContact CD2-CE2 3.71Å; L172-Y415 HydrophobicContact CD2-CG 3.85Å; L172-Y415 HydrophobicContact CG-CD1 4.44Å; L172-Y415 HydrophobicContact CG-CG 4.4Å; I220-Y415 HydrophobicContact CD1-CD2 4.35Å; K411-Y415 WeakPolarHBondContact O-CB 3.31Å; K411-Y415 PolarHBondContact O-N 3.18Å; L412-Y415 PolarHBondContact O-N 3.44Å; Y415-L417 VanDerWaalsContact C-N 3.31Å; Y415-L417 PolarHBondContact O-N 2.92Å; Y415-E418 WeakPolarHBondContact O-CB 3.49Å; Y415-E418 PolarHBondContact O-N 3.45Å; Y415-E418 VanDerWaalsContact O-N 3.13Å; Y415-Q419 HydrophobicContact CD1-CG 4.09Å; Y415-Q419 HydrophobicContact CD2-CG 3.64Å; Y415-Q419 HydrophobicContact CE1-CG 3.87Å; Y415-Q419 HydrophobicContact CE2-CG 3.38Å; Y415-Q419 VanDerWaalsContact CE2-OE1 3.23Å; Y415-Q419 HydrophobicContact CG-CG 3.99Å; Y415-Q419 VanDerWaalsContact CZ-CD 3.42Å; Y415-Q419 VanDerWaalsContact CZ-CG 3.5Å; Y415-Q419 VanDerWaalsContact O-CB 3.25Å; Y415-Q419 WeakPolarHBondContact O-CB 3.23Å; Y415-Q419 WeakPolarHBondContact O-CG 3.29Å; Y415-Q419 PolarHBondContact O-N 3.35Å; Y415-Q419 PolarHBondContact OH-NE2 3.26Å; Y415-F519 AromaticContact CD1-CD1 3.43Å; Y415-F519 HydrophobicContact CD1-CD1 3.43Å; Y415-F519 VanDerWaalsContact CD1-CD1 3.43Å; Y415-F519 AromaticContact CD1-CE1 3.49Å; Y415-F519 HydrophobicContact CD1-CE1 3.49Å; Y415-F519 VanDerWaalsContact CD1-CE1 3.49Å; Y415-F519 HydrophobicContact CD1-CG 4.34Å; Y415-F519 HydrophobicContact CD1-CZ 4.43Å; Y415-F519 HydrophobicContact CE1-CB 4.41Å; Y415-F519 AromaticContact CE1-CD1 3.51Å; Y415-F519 HydrophobicContact CE1-CD1 3.51Å; Y415-F519 HydrophobicContact CE1-CE1 4.08Å; Y415-F519 HydrophobicContact CE1-CG 4.21Å; Y415-F519 HydrophobicContact CG-CE1 4.33Å
416	L	97.3	Very high	95.5	Very high	2 Å²	2	36 Å²	36	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-55.7	-43.9	173.5	-179.5	59	0	0	0	112.3	L412 L420 F464 V468 I508 E511 F516 V518 F519	L412-L416 WeakPolarHBondContact O-CB 3.3Å; L412-L416 PolarHBondContact O-N 3.47Å; L416-L420 HydrophobicContact CD1-CD1 4.02Å; L416-L420 HydrophobicContact CD1-CG 4.26Å; L416-L420 HydrophobicContact CG-CD1 4.17Å; L416-L420 VanDerWaalsContact O-CB 3.29Å; L416-L420 WeakPolarHBondContact O-CB 3.25Å; L416-L420 VanDerWaalsContact O-CG 3.23Å; L416-L420 WeakPolarHBondContact O-CG 3.44Å; L416-L420 PolarHBondContact O-N 2.82Å; L416-F464 HydrophobicContact CD2-CZ 4.33Å; L416-V468 HydrophobicContact CD2-CG2 4.36Å; L416-I508 HydrophobicContact CD2-CG1 4.44Å; L416-I508 HydrophobicContact CD2-CG2 4.39Å; L416-E511 HydrophobicContact CD1-CB 4.23Å; L416-E511 HydrophobicContact CD1-CG 4.31Å; L416-F516 HydrophobicContact CD1-CD1 3.96Å; L416-F516 HydrophobicContact CD2-CD1 4.12Å; L416-F516 HydrophobicContact CD2-CE1 3.87Å; L416-V518 HydrophobicContact CD1-CG1 4.01Å; L416-F519 HydrophobicContact CB-CE1 3.98Å; L416-F519 HydrophobicContact CB-CZ 4.05Å; L416-F519 HydrophobicContact CD1-CE1 4.29Å; L416-F519 HydrophobicContact CD1-CZ 4.47Å
417	L	97	Very high	94.8	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-69.3	-38.7	176.4	-179.1	61.4	0	0	0	112.6	M413 K414 Y415 K421 F433 V438 L504	M413-L417 PolarHBondContact O-N 3.17Å; K414-L417 PolarHBondContact O-N 2.8Å; Y415-L417 VanDerWaalsContact C-N 3.31Å; Y415-L417 PolarHBondContact O-N 2.92Å; L417-K421 HydrophobicContact CD1-CD 4.38Å; L417-K421 HydrophobicContact CD1-CG 4.39Å; L417-K421 HydrophobicContact CG-CD 4.38Å; L417-K421 WeakPolarHBondContact O-CB 3.44Å; L417-K421 VanDerWaalsContact O-CG 3.25Å; L417-K421 WeakPolarHBondContact O-CG 3.4Å; L417-K421 PolarHBondContact O-N 2.95Å; L417-F433 HydrophobicContact CD1-CB 3.93Å; L417-F433 HydrophobicContact CD2-CB 4.22Å; L417-V438 HydrophobicContact CB-CG2 4.32Å; L417-V438 HydrophobicContact CD2-CG2 3.78Å; L417-L504 HydrophobicContact CD1-CD1 4.25Å; L417-L504 HydrophobicContact CD1-CD2 4.19Å
418	E	94.5	Very high	94	Very high	69 Å²	69	46.7 Å²	46.7	32%	0.322	22%	0.215	S	C	.	.	H	α-helix	trans	-63.5	-50.6	178	-166.6	169.8	108.9	0	0	111.2	I220 S221 K414 Y415 K421 E422	I220-E418 WeakPolarHBondContact CD1-OE2 3.42Å; S221-E418 VanDerWaalsContact CB-OE1 3.28Å; S221-E418 WeakPolarHBondContact CB-OE1 2.99Å; S221-E418 PolarHBondContact OG-OE1 2.91Å; K414-E418 WeakPolarHBondContact O-CB 3.29Å; K414-E418 PolarHBondContact O-N 3.49Å; Y415-E418 WeakPolarHBondContact O-CB 3.49Å; Y415-E418 PolarHBondContact O-N 3.45Å; Y415-E418 VanDerWaalsContact O-N 3.13Å; E418-K421 WeakPolarHBondContact O-CB 3.42Å; E418-K421 PolarHBondContact O-N 3.49Å; E418-K421 VanDerWaalsContact O-N 3.12Å; E418-E422 PolarHBondContact O-N 2.93Å
419	Q	95.1	Very high	93.5	Very high	15 Å²	15	47.6 Å²	47.6	7%	0.07	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-44	177.1	-69.6	-61.7	100.5	0	0	112.7	Y415 K421 E422 K423 V518	Y415-Q419 HydrophobicContact CD1-CG 4.09Å; Y415-Q419 HydrophobicContact CD2-CG 3.64Å; Y415-Q419 HydrophobicContact CE1-CG 3.87Å; Y415-Q419 HydrophobicContact CE2-CG 3.38Å; Y415-Q419 VanDerWaalsContact CE2-OE1 3.23Å; Y415-Q419 HydrophobicContact CG-CG 3.99Å; Y415-Q419 VanDerWaalsContact CZ-CD 3.42Å; Y415-Q419 VanDerWaalsContact CZ-CG 3.5Å; Y415-Q419 VanDerWaalsContact O-CB 3.25Å; Y415-Q419 WeakPolarHBondContact O-CB 3.23Å; Y415-Q419 WeakPolarHBondContact O-CG 3.29Å; Y415-Q419 PolarHBondContact O-N 3.35Å; Y415-Q419 PolarHBondContact OH-NE2 3.26Å; Q419-K421 VanDerWaalsContact C-N 3.29Å; Q419-K421 PolarHBondContact O-N 2.94Å; Q419-E422 PolarHBondContact O-N 3.21Å; Q419-K423 VanDerWaalsContact O-CB 3.3Å; Q419-K423 WeakPolarHBondContact O-CB 3.48Å; Q419-K423 PolarHBondContact O-N 3.27Å; Q419-V518 HydrophobicContact CB-CB 4.39Å; Q419-V518 HydrophobicContact CB-CG1 3.85Å; Q419-V518 HydrophobicContact CB-CG2 3.69Å; Q419-V518 PolarHBondContact NE2-O 2.88Å
420	L	95.7	Very high	93.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-33.9	174.1	-77	175.1	0	0	0	112.3	L416 F424 L430 L504 Q507 I508 E511	L416-L420 HydrophobicContact CD1-CD1 4.02Å; L416-L420 HydrophobicContact CD1-CG 4.26Å; L416-L420 HydrophobicContact CG-CD1 4.17Å; L416-L420 VanDerWaalsContact O-CB 3.29Å; L416-L420 WeakPolarHBondContact O-CB 3.25Å; L416-L420 VanDerWaalsContact O-CG 3.23Å; L416-L420 WeakPolarHBondContact O-CG 3.44Å; L416-L420 PolarHBondContact O-N 2.82Å; L420-F424 HydrophobicContact CD2-CD2 4.29Å; L420-F424 HydrophobicContact CD2-CE2 3.96Å; L420-F424 WeakPolarHBondContact O-CB 3.47Å; L420-F424 WeakPolarHBondContact O-CD2 3.41Å; L420-F424 PolarHBondContact O-N 2.6Å; L420-F424 VanDerWaalsContact O-N 3.13Å; L420-L430 HydrophobicContact CB-CD1 4.2Å; L420-L430 VanDerWaalsContact O-CD1 3.29Å; L420-L430 WeakPolarHBondContact O-CD1 3.33Å; L420-L504 HydrophobicContact CD1-CD1 4.05Å; L420-Q507 HydrophobicContact CD1-CB 4.2Å; L420-Q507 HydrophobicContact CD2-CB 3.87Å; L420-I508 HydrophobicContact CD1-CG1 3.68Å; L420-E511 HydrophobicContact CD2-CG 3.95Å
421	K	94.3	Very high	92.6	Very high	61 Å²	61	52.6 Å²	52.6	27%	0.265	24%	0.244	S	C	.	.	H	α-helix	trans	-69.2	-36.5	175.2	-79.1	-175.3	74	160.9	0	112.8	L417 E418 Q419 F424 K425 L430 D431 F433	L417-K421 HydrophobicContact CD1-CD 4.38Å; L417-K421 HydrophobicContact CD1-CG 4.39Å; L417-K421 HydrophobicContact CG-CD 4.38Å; L417-K421 WeakPolarHBondContact O-CB 3.44Å; L417-K421 VanDerWaalsContact O-CG 3.25Å; L417-K421 WeakPolarHBondContact O-CG 3.4Å; L417-K421 PolarHBondContact O-N 2.95Å; E418-K421 WeakPolarHBondContact O-CB 3.42Å; E418-K421 PolarHBondContact O-N 3.49Å; E418-K421 VanDerWaalsContact O-N 3.12Å; Q419-K421 VanDerWaalsContact C-N 3.29Å; Q419-K421 PolarHBondContact O-N 2.94Å; K421-F424 CarbonylContact O-C 3.51Å; K421-K425 VanDerWaalsContact O-CA 3.25Å; K421-K425 WeakPolarHBondContact O-CA 3.41Å; K421-K425 WeakPolarHBondContact O-CB 3.15Å; K421-K425 PolarHBondContact O-N 3.5Å; K421-L430 VanDerWaalsContact CE-O 3.24Å; K421-L430 WeakPolarHBondContact CE-O 3.17Å; K421-L430 HydrophobicContact CG-CB 3.74Å; K421-L430 HydrophobicContact CG-CD1 4.32Å; K421-L430 PolarHBondContact NZ-O 2.79Å; K421-D431 PolarHBondContact NZ-O 2.82Å; K421-F433 PolarHBondContact NZ-O 2.91Å
422	E	92.8	Very high	92.4	Very high	83 Å²	83	55 Å²	55	39%	0.388	26%	0.255	S	S	.	.	H	α-helix	trans	-71.8	-48.2	175	-176.1	56.1	-154.7	0	0	111.5	E418 Q419 F424 K425 F522	E418-E422 PolarHBondContact O-N 2.93Å; Q419-E422 PolarHBondContact O-N 3.21Å; E422-F424 PolarHBondContact O-N 2.8Å; E422-F424 VanDerWaalsContact O-N 3.12Å; E422-K425 WeakPolarHBondContact O-CD 3.28Å; E422-K425 WeakPolarHBondContact O-CG 3.48Å; E422-K425 PolarHBondContact O-N 3.09Å; E422-K425 WeakPolarHBondContact OE1-CD 3.44Å; E422-K425 WeakPolarHBondContact OE1-CE 3.21Å; E422-K425 IonicContact OE1-NZ 2.85Å; E422-K425 PolarHBondContact OE1-NZ 3.05Å; E422-F522 HydrophobicContact CG-CE1 3.89Å; E422-F522 HydrophobicContact CG-CZ 4.24Å
423	K	93.6	Very high	92.2	Very high	57 Å²	57	55 Å²	55	25%	0.248	26%	0.255	C	S	.	.	H	α-helix	trans	-55.9	-28.2	176	-172.8	176.2	-166.1	155.1	0	113.6	Q419 E511 V518 E521	Q419-K423 VanDerWaalsContact O-CB 3.3Å; Q419-K423 WeakPolarHBondContact O-CB 3.48Å; Q419-K423 PolarHBondContact O-N 3.27Å; K423-E511 IonicContact NZ-OE1 2.69Å; K423-E511 PolarHBondContact NZ-OE1 3.4Å; K423-V518 HydrophobicContact CB-CG2 4.44Å; K423-V518 HydrophobicContact CD-CB 4.48Å; K423-V518 HydrophobicContact CD-CG2 3.79Å; K423-E521 WeakPolarHBondContact CD-OE2 3.38Å; K423-E521 WeakPolarHBondContact CE-OE2 3.24Å; K423-E521 IonicContact NZ-OE1 3.55Å; K423-E521 PolarHBondContact NZ-OE1 3.42Å; K423-E521 IonicContact NZ-OE2 2.64Å; K423-E521 PolarHBondContact NZ-OE2 2.84Å
424	F	92.9	Very high	92	Very high	29 Å²	29	57.1 Å²	57.1	13%	0.127	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	29.5	-179.5	-60.6	-59.8	0	0	0	113.7	L420 K421 E422 D426 K427 L430 F503 Q507	L420-F424 HydrophobicContact CD2-CD2 4.29Å; L420-F424 HydrophobicContact CD2-CE2 3.96Å; L420-F424 WeakPolarHBondContact O-CB 3.47Å; L420-F424 WeakPolarHBondContact O-CD2 3.41Å; L420-F424 PolarHBondContact O-N 2.6Å; L420-F424 VanDerWaalsContact O-N 3.13Å; K421-F424 CarbonylContact O-C 3.51Å; E422-F424 PolarHBondContact O-N 2.8Å; E422-F424 VanDerWaalsContact O-N 3.12Å; F424-D426 PolarHBondContact O-N 3.44Å; F424-K427 HydrophobicContact CB-CB 4.31Å; F424-K427 HydrophobicContact CB-CD 4.33Å; F424-K427 HydrophobicContact CD1-CD 3.91Å; F424-K427 HydrophobicContact CG-CD 4.42Å; F424-K427 CarbonylContact O-C 3.58Å; F424-K427 WeakPolarHBondContact O-CA 3.26Å; F424-K427 WeakPolarHBondContact O-CB 3.41Å; F424-K427 PolarHBondContact O-N 3.19Å; F424-L430 HydrophobicContact CB-CD1 4.08Å; F424-L430 HydrophobicContact CD2-CD1 4.28Å; F424-F503 HydrophobicContact CB-CE1 4.36Å; F424-F503 HydrophobicContact CB-CZ 4.38Å; F424-F503 HydrophobicContact CD1-CZ 4.21Å; F424-F503 HydrophobicContact CD2-CE1 4.26Å; F424-F503 HydrophobicContact CD2-CZ 4.11Å; F424-F503 HydrophobicContact CE2-CZ 4.46Å; F424-F503 HydrophobicContact CG-CE1 4.28Å; F424-F503 AromaticContact CG-CZ 3.96Å; F424-F503 HydrophobicContact CG-CZ 3.96Å; F424-Q507 HydrophobicContact CD2-CG 4.07Å; F424-Q507 HydrophobicContact CE2-CB 4.31Å; F424-Q507 HydrophobicContact CE2-CG 3.62Å; F424-Q507 VanDerWaalsContact CE2-OE1 3.26Å; F424-Q507 HydrophobicContact CZ-CG 4.32Å
425	K	90.2	Very high	91.9	Very high	118 Å²	118	59.2 Å²	59.2	51%	0.513	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.5	-178.5	62.1	-167.4	167.4	-171	0	114.8	K421 E422 K427	K421-K425 VanDerWaalsContact O-CA 3.25Å; K421-K425 WeakPolarHBondContact O-CA 3.41Å; K421-K425 WeakPolarHBondContact O-CB 3.15Å; K421-K425 PolarHBondContact O-N 3.5Å; E422-K425 WeakPolarHBondContact O-CD 3.28Å; E422-K425 WeakPolarHBondContact O-CG 3.48Å; E422-K425 PolarHBondContact O-N 3.09Å; E422-K425 WeakPolarHBondContact OE1-CD 3.44Å; E422-K425 WeakPolarHBondContact OE1-CE 3.21Å; E422-K425 IonicContact OE1-NZ 2.85Å; E422-K425 PolarHBondContact OE1-NZ 3.05Å; K425-K427 PolarHBondContact O-N 3.28Å
426	D	88.3	Confident	91.9	Very high	143 Å²	143	61.1 Å²	61.1	77%	0.765	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-18.4	176.1	-51.1	-61.9	0	0	0	112.6	F424	F424-D426 PolarHBondContact O-N 3.44Å
427	K	82.7	Confident	91.9	Very high	97 Å²	97	61.9 Å²	61.9	42%	0.422	30%	0.299	S	S	.	.	S	Bend	trans	-100.2	90.3	179.2	-57.8	179.2	-173.6	172.1	0	110.3	F424 K425 H429 L430 F503	F424-K427 HydrophobicContact CB-CB 4.31Å; F424-K427 HydrophobicContact CB-CD 4.33Å; F424-K427 HydrophobicContact CD1-CD 3.91Å; F424-K427 HydrophobicContact CG-CD 4.42Å; F424-K427 CarbonylContact O-C 3.58Å; F424-K427 WeakPolarHBondContact O-CA 3.26Å; F424-K427 WeakPolarHBondContact O-CB 3.41Å; F424-K427 PolarHBondContact O-N 3.19Å; K425-K427 PolarHBondContact O-N 3.28Å; K427-H429 PolarHBondContact O-N 3.03Å; K427-L430 PolarHBondContact O-N 3.26Å; K427-F503 HydrophobicContact CD-CE2 4.16Å; K427-F503 HydrophobicContact CD-CZ 3.8Å
428	K	81.1	Confident	92	Very high	160 Å²	160	61.6 Å²	61.6	70%	0.696	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	1.9	-179.6	-60.5	177.5	-177.5	170.5	0	116.8	L430	K428-L430 VanDerWaalsContact C-N 3.28Å; K428-L430 PolarHBondContact O-N 3.13Å
429	H	84.4	Confident	92.1	Very high	68 Å²	68	59.3 Å²	59.3	32%	0.315	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-39.7	167.6	-69.6	-71.6	0	0	0	112.3	K427 S500 F503	K427-H429 PolarHBondContact O-N 3.03Å; H429-S500 PolarHBondContact ND1-OG 3.45Å; H429-S500 VanDerWaalsContact ND1-OG 3.15Å; H429-F503 HydrophobicContact CB-CD1 3.93Å; H429-F503 HydrophobicContact CB-CG 4.37Å
430	L	90.8	Very high	92.3	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-86.3	-9.9	-171.9	-57.9	-171.3	0	0	0	114.9	L420 K421 F424 K427 K428 K432 F433 F503 L504	L420-L430 HydrophobicContact CB-CD1 4.2Å; L420-L430 VanDerWaalsContact O-CD1 3.29Å; L420-L430 WeakPolarHBondContact O-CD1 3.33Å; K421-L430 VanDerWaalsContact CE-O 3.24Å; K421-L430 WeakPolarHBondContact CE-O 3.17Å; K421-L430 HydrophobicContact CG-CB 3.74Å; K421-L430 HydrophobicContact CG-CD1 4.32Å; K421-L430 PolarHBondContact NZ-O 2.79Å; F424-L430 HydrophobicContact CB-CD1 4.08Å; F424-L430 HydrophobicContact CD2-CD1 4.28Å; K427-L430 PolarHBondContact O-N 3.26Å; K428-L430 VanDerWaalsContact C-N 3.28Å; K428-L430 PolarHBondContact O-N 3.13Å; L430-K432 PolarHBondContact O-N 3.19Å; L430-F433 HydrophobicContact CD2-CD2 4.15Å; L430-F433 HydrophobicContact CD2-CE2 4.31Å; L430-F433 PolarHBondContact O-N 3.12Å; L430-F433 VanDerWaalsContact O-N 3.14Å; L430-F503 HydrophobicContact CD1-CE1 4.1Å; L430-F503 HydrophobicContact CD2-CD1 3.74Å; L430-F503 HydrophobicContact CD2-CE1 4.01Å; L430-F503 HydrophobicContact CG-CD1 4.12Å; L430-F503 HydrophobicContact CG-CE1 3.92Å; L430-L504 HydrophobicContact CD2-CB 3.85Å; L430-L504 HydrophobicContact CD2-CD1 3.89Å; L430-L504 HydrophobicContact CD2-CG 4.31Å
431	D	88.7	Confident	92.5	Very high	102 Å²	102	58.9 Å²	58.9	55%	0.545	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-56.9	-36.9	178.9	-75.5	-32.2	0	0	0	112.9	K421 F433	K421-D431 PolarHBondContact NZ-O 2.82Å; D431-F433 VanDerWaalsContact C-N 3.25Å; D431-F433 PolarHBondContact O-N 3.47Å
432	K	90.9	Very high	92.7	Very high	99 Å²	99	56.3 Å²	56.3	43%	0.43	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-67.2	-25.5	-177.3	-57.9	-180	-171.9	178	0	112.6	L430 H437 I496 D497	L430-K432 PolarHBondContact O-N 3.19Å; K432-H437 PolarHBondContact O-CE1 3.21Å; K432-I496 HydrophobicContact CB-CD1 4.38Å; K432-I496 HydrophobicContact CB-CG1 4.24Å; K432-I496 HydrophobicContact CB-CG2 4.32Å; K432-I496 HydrophobicContact CD-CG2 4.3Å; K432-D497 IonicContact NZ-OD2 3.24Å; K432-D497 PolarHBondContact NZ-OD2 2.9Å
433	F	95.1	Very high	92.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.256	C	S	.	.			trans	-86.6	122.4	178.1	-59	-84.1	0	0	0	110.8	L417 K421 L430 D431 L475 F491 I496 S500 K501 L504	L417-F433 HydrophobicContact CD1-CB 3.93Å; L417-F433 HydrophobicContact CD2-CB 4.22Å; K421-F433 PolarHBondContact NZ-O 2.91Å; L430-F433 HydrophobicContact CD2-CD2 4.15Å; L430-F433 HydrophobicContact CD2-CE2 4.31Å; L430-F433 PolarHBondContact O-N 3.12Å; L430-F433 VanDerWaalsContact O-N 3.14Å; D431-F433 VanDerWaalsContact C-N 3.25Å; D431-F433 PolarHBondContact O-N 3.47Å; F433-L475 HydrophobicContact CE1-CD2 3.68Å; F433-L475 HydrophobicContact CZ-CD2 4.1Å; F433-F491 HydrophobicContact CD1-CE1 4.06Å; F433-F491 AromaticContact CE1-CE1 3.82Å; F433-F491 HydrophobicContact CE1-CE1 3.82Å; F433-F491 HydrophobicContact CE1-CZ 4.21Å; F433-I496 HydrophobicContact CD1-CD1 3.83Å; F433-I496 HydrophobicContact CE1-CD1 3.66Å; F433-I496 HydrophobicContact CE1-CG2 4.13Å; F433-I496 HydrophobicContact CE2-CG2 4.13Å; F433-I496 HydrophobicContact CG-CD1 4.49Å; F433-I496 HydrophobicContact CZ-CD1 4.21Å; F433-I496 HydrophobicContact CZ-CG2 3.66Å; F433-S500 WeakPolarHBondContact CE2-O 3.24Å; F433-K501 HydrophobicContact CE1-CG 4.29Å; F433-K501 HydrophobicContact CZ-CG 3.89Å; F433-L504 HydrophobicContact CB-CD2 4.36Å; F433-L504 HydrophobicContact CD1-CD2 3.6Å; F433-L504 HydrophobicContact CD2-CD2 3.76Å; F433-L504 HydrophobicContact CE1-CD2 3.69Å; F433-L504 HydrophobicContact CE2-CB 4.11Å; F433-L504 HydrophobicContact CE2-CD2 3.83Å; F433-L504 HydrophobicContact CG-CD2 3.63Å; F433-L504 HydrophobicContact CZ-CB 4.22Å; F433-L504 HydrophobicContact CZ-CD2 3.79Å
434	S	93.3	Very high	93.2	Very high	53 Å²	53	51.8 Å²	51.8	37%	0.371	25%	0.254	S	S	.	.			trans	-113	164.5	167.8	68.2	0	0	0	0	111.3	Y436 H437	S434-Y436 PolarHBondContact O-N 3.46Å; S434-Y436 WeakPolarHBondContact OG-CB 3.32Å; S434-Y436 PolarHBondContact OG-N 3.46Å; S434-H437 PolarHBondContact N-CE1 2.7Å; S434-H437 PolarHBondContact N-ND1 3.06Å; S434-H437 VanDerWaalsContact N-ND1 3.15Å; S434-H437 PolarHBondContact O-N 2.83Å; S434-H437 VanDerWaalsContact O-N 3.13Å; S434-H437 PolarHBondContact O-ND1 3.18Å; S434-H437 PolarHBondContact OG-CE1 3.49Å; S434-H437 PolarHBondContact OG-ND1 3.15Å
435	S	94.1	Very high	93.4	Very high	62 Å²	62	50.9 Å²	50.9	43%	0.434	25%	0.25	S	C	.	.	H	α-helix	trans	-53.9	-16.5	172.2	55.6	0	0	0	0	114.5	V438 K439	S435-V438 PolarHBondContact O-N 2.77Å; S435-K439 WeakPolarHBondContact O-CB 3.43Å; S435-K439 PolarHBondContact O-N 2.91Å
436	Y	96.3	Very high	93.8	Very high	52 Å²	52	45.2 Å²	45.2	20%	0.204	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-38.4	175.3	-164.8	-101.2	0	0	0	113.2	E383 S434 K439 T440 N482 L490	E383-Y436 WeakPolarHBondContact OE1-CE2 3.48Å; E383-Y436 PolarHBondContact OE1-OH 2.8Å; S434-Y436 PolarHBondContact O-N 3.46Å; S434-Y436 WeakPolarHBondContact OG-CB 3.32Å; S434-Y436 PolarHBondContact OG-N 3.46Å; Y436-K439 PolarHBondContact O-N 2.79Å; Y436-T440 WeakPolarHBondContact O-CB 3.33Å; Y436-T440 PolarHBondContact O-N 2.9Å; Y436-T440 PolarHBondContact O-OG1 3.06Å; Y436-N482 PolarHBondContact OH-ND2 3.3Å; Y436-L490 HydrophobicContact CD1-CD1 3.94Å; Y436-L490 HydrophobicContact CE1-CD1 3.95Å
437	H	98.3	Very high	94.3	Very high	19 Å²	19	39.9 Å²	39.9	9%	0.088	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-44.6	177.7	-50.7	89.6	0	0	0	110.4	K432 S434 K439 T440 A441 F471 L480 F491	K432-H437 PolarHBondContact O-CE1 3.21Å; S434-H437 PolarHBondContact N-CE1 2.7Å; S434-H437 PolarHBondContact N-ND1 3.06Å; S434-H437 VanDerWaalsContact N-ND1 3.15Å; S434-H437 PolarHBondContact O-N 2.83Å; S434-H437 VanDerWaalsContact O-N 3.13Å; S434-H437 PolarHBondContact O-ND1 3.18Å; S434-H437 PolarHBondContact OG-CE1 3.49Å; S434-H437 PolarHBondContact OG-ND1 3.15Å; H437-K439 PolarHBondContact O-N 2.78Å; H437-T440 PolarHBondContact O-N 3.09Å; H437-A441 WeakPolarHBondContact O-CB 3.25Å; H437-A441 PolarHBondContact O-N 2.96Å; H437-F471 HydrophobicContact CB-CE2 4.16Å; H437-L480 HydrophobicContact CB-CD2 3.81Å; H437-F491 HydrophobicContact CB-CE1 3.94Å; H437-F491 HydrophobicContact CB-CZ 4.21Å; H437-F491 AromaticContact CD2-CE1 3.59Å; H437-F491 AromaticContact CG-CE1 3.91Å
438	V	98.4	Very high	95	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-58.9	-46.8	174.2	172	0	0	0	0	110.9	L410 M413 K414 L417 S435 T440 A441 F442 F471	L410-V438 HydrophobicContact CD1-CG1 3.93Å; M413-V438 HydrophobicContact CB-CG1 3.47Å; M413-V438 VanDerWaalsContact CB-CG1 3.47Å; K414-V438 HydrophobicContact CG-CG1 4.24Å; L417-V438 HydrophobicContact CB-CG2 4.32Å; L417-V438 HydrophobicContact CD2-CG2 3.78Å; S435-V438 PolarHBondContact O-N 2.77Å; V438-T440 VanDerWaalsContact C-N 3.34Å; V438-T440 PolarHBondContact O-N 2.87Å; V438-A441 PolarHBondContact O-N 3.11Å; V438-F442 WeakPolarHBondContact O-CB 3.44Å; V438-F442 PolarHBondContact O-N 3.38Å; V438-F471 HydrophobicContact CG2-CE2 4.23Å; V438-F471 HydrophobicContact CG2-CZ 4.16Å
439	K	98.2	Very high	95.8	Very high	20 Å²	20	35 Å²	35	9%	0.087	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-37.4	177.7	-164.4	172.1	75.1	177.2	0	112.4	E216 E383 L387 L410 S435 Y436 H437 F443	E216-K439 IonicContact OE1-NZ 3.45Å; E216-K439 PolarHBondContact OE1-NZ 3.02Å; E216-K439 IonicContact OE2-NZ 2.7Å; E383-K439 WeakPolarHBondContact OE2-CE 3.44Å; E383-K439 IonicContact OE2-NZ 3.14Å; E383-K439 PolarHBondContact OE2-NZ 3.02Å; L387-K439 HydrophobicContact CD1-CD 4.01Å; L410-K439 HydrophobicContact CD1-CB 4.44Å; L410-K439 HydrophobicContact CD2-CG 4.38Å; S435-K439 WeakPolarHBondContact O-CB 3.43Å; S435-K439 PolarHBondContact O-N 2.91Å; Y436-K439 PolarHBondContact O-N 2.79Å; H437-K439 PolarHBondContact O-N 2.78Å; K439-F443 HydrophobicContact CD-CE2 4.13Å; K439-F443 HydrophobicContact CD-CZ 4.05Å; K439-F443 HydrophobicContact CG-CD2 4.31Å; K439-F443 HydrophobicContact CG-CE1 4.46Å; K439-F443 HydrophobicContact CG-CE2 3.73Å; K439-F443 HydrophobicContact CG-CZ 3.82Å; K439-F443 WeakPolarHBondContact O-CD2 3.29Å; K439-F443 WeakPolarHBondContact O-CG 3.26Å; K439-F443 PolarHBondContact O-N 2.98Å
440	T	98.6	Very high	96.4	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-67.6	-48.2	177.7	-57.8	0	0	0	0	111.7	Y436 H437 V438 F442 F443 H444 L480 A481 L490	Y436-T440 WeakPolarHBondContact O-CB 3.33Å; Y436-T440 PolarHBondContact O-N 2.9Å; Y436-T440 PolarHBondContact O-OG1 3.06Å; H437-T440 PolarHBondContact O-N 3.09Å; V438-T440 VanDerWaalsContact C-N 3.34Å; V438-T440 PolarHBondContact O-N 2.87Å; T440-F442 VanDerWaalsContact C-N 3.31Å; T440-F442 PolarHBondContact O-N 2.96Å; T440-F443 PolarHBondContact O-N 2.7Å; T440-H444 PolarHBondContact O-CD2 3.29Å; T440-H444 VanDerWaalsContact O-CD2 3.26Å; T440-H444 PolarHBondContact O-N 2.7Å; T440-H444 VanDerWaalsContact O-N 3.13Å; T440-L480 HydrophobicContact CG2-CD1 3.93Å; T440-L480 HydrophobicContact CG2-CG 4.13Å; T440-A481 VanDerWaalsContact CG2-O 3.25Å; T440-A481 WeakPolarHBondContact CG2-O 3.43Å; T440-L490 HydrophobicContact CG2-CD1 3.88Å
441	A	98.7	Very high	96.7	Very high	4 Å²	4	37 Å²	37	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-40.9	176.4	0	0	0	0	0	111.6	H437 V438 F443 H444 L445 F471 L480	H437-A441 WeakPolarHBondContact O-CB 3.25Å; H437-A441 PolarHBondContact O-N 2.96Å; V438-A441 PolarHBondContact O-N 3.11Å; A441-F443 PolarHBondContact O-N 3.37Å; A441-H444 PolarHBondContact O-N 2.87Å; A441-L445 PolarHBondContact O-N 3.38Å; A441-F471 HydrophobicContact CB-CD2 3.75Å; A441-L480 HydrophobicContact CB-CD1 3.88Å
442	F	98.7	Very high	97.1	Very high	7 Å²	7	33.7 Å²	33.7	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-39.6	173.8	172	-97.1	0	0	0	113.2	L387 R406 L410 V438 T440 L445 C446 W455	L387-F442 HydrophobicContact CD2-CE1 3.9Å; R406-F442 HydrophobicContact CB-CE2 4.46Å; R406-F442 HydrophobicContact CB-CZ 3.97Å; R406-F442 HydrophobicContact CG-CZ 4.45Å; R406-F442 WeakPolarHBondContact O-CE2 3.26Å; R406-F442 VanDerWaalsContact O-CZ 3.24Å; R406-F442 WeakPolarHBondContact O-CZ 3.25Å; L410-F442 HydrophobicContact CB-CD1 4.27Å; L410-F442 HydrophobicContact CB-CD2 4.02Å; L410-F442 HydrophobicContact CB-CE1 4.23Å; L410-F442 HydrophobicContact CB-CE2 3.98Å; L410-F442 HydrophobicContact CB-CG 4.16Å; L410-F442 HydrophobicContact CB-CZ 4.07Å; L410-F442 HydrophobicContact CD1-CB 4.05Å; L410-F442 HydrophobicContact CD1-CD1 4.2Å; L410-F442 HydrophobicContact CD1-CG 4.02Å; L410-F442 HydrophobicContact CD2-CD1 3.84Å; L410-F442 HydrophobicContact CD2-CE1 3.9Å; L410-F442 HydrophobicContact CD2-CG 4.42Å; L410-F442 HydrophobicContact CG-CD1 4.33Å; L410-F442 HydrophobicContact CG-CG 4.42Å; V438-F442 WeakPolarHBondContact O-CB 3.44Å; V438-F442 PolarHBondContact O-N 3.38Å; T440-F442 VanDerWaalsContact C-N 3.31Å; T440-F442 PolarHBondContact O-N 2.96Å; F442-L445 PolarHBondContact O-N 3.41Å; F442-C446 WeakPolarHBondContact CZ-SG 3.27Å; F442-C446 WeakPolarHBondContact O-CB 3.39Å; F442-C446 PolarHBondContact O-N 2.73Å; F442-C446 PolarHBondContact O-SG 2.98Å; F442-W455 HydrophobicContact CD2-CH2 4.48Å; F442-W455 HydrophobicContact CE2-CH2 4.11Å; F442-W455 HydrophobicContact CE2-CZ3 4.14Å
443	F	98.7	Very high	97.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	19%	0.185	C	C	.	.	H	α-helix	trans	-68.5	-35.5	175.5	-69.6	-36.4	0	0	0	113.2	W343 E383 I386 L387 K439 T440 A441 C446 T447 Y483	W343-F443 HydrophobicContact CH2-CD1 4.25Å; W343-F443 HydrophobicContact CZ3-CD1 4.43Å; E383-F443 HydrophobicContact CB-CE2 4.14Å; E383-F443 HydrophobicContact CB-CZ 4.16Å; E383-F443 HydrophobicContact CG-CE2 4.01Å; I386-F443 HydrophobicContact CB-CE1 4.37Å; I386-F443 HydrophobicContact CG2-CD1 4.03Å; I386-F443 HydrophobicContact CG2-CE1 3.66Å; I386-F443 HydrophobicContact CG2-CZ 4.33Å; L387-F443 HydrophobicContact CD1-CZ 4.4Å; L387-F443 HydrophobicContact CD2-CE1 3.82Å; L387-F443 HydrophobicContact CD2-CZ 4.38Å; L387-F443 HydrophobicContact CG-CE1 3.88Å; L387-F443 HydrophobicContact CG-CZ 4Å; K439-F443 HydrophobicContact CD-CE2 4.13Å; K439-F443 HydrophobicContact CD-CZ 4.05Å; K439-F443 HydrophobicContact CG-CD2 4.31Å; K439-F443 HydrophobicContact CG-CE1 4.46Å; K439-F443 HydrophobicContact CG-CE2 3.73Å; K439-F443 HydrophobicContact CG-CZ 3.82Å; K439-F443 WeakPolarHBondContact O-CD2 3.29Å; K439-F443 WeakPolarHBondContact O-CG 3.26Å; K439-F443 PolarHBondContact O-N 2.98Å; T440-F443 PolarHBondContact O-N 2.7Å; A441-F443 PolarHBondContact O-N 3.37Å; F443-C446 PolarHBondContact O-N 2.92Å; F443-T447 PolarHBondContact O-N 3.29Å; F443-T447 VanDerWaalsContact O-N 3.15Å; F443-T447 PolarHBondContact O-OG1 2.65Å; F443-Y483 HydrophobicContact CB-CD1 4.02Å; F443-Y483 HydrophobicContact CB-CD2 3.56Å; F443-Y483 HydrophobicContact CB-CE1 4.1Å; F443-Y483 HydrophobicContact CB-CE2 3.69Å; F443-Y483 HydrophobicContact CB-CG 3.75Å; F443-Y483 HydrophobicContact CD2-CD1 4.13Å; F443-Y483 HydrophobicContact CD2-CG 4.2Å; F443-Y483 HydrophobicContact CG-CD1 4.32Å; F443-Y483 HydrophobicContact CG-CG 4.39Å; F443-Y483 WeakPolarHBondContact O-CE2 3.47Å
444	H	98.6	Very high	97.3	Very high	44 Å²	44	37.2 Å²	37.2	20%	0.204	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-50	171.4	-70.3	-56.2	0	0	0	110.8	T440 A441 C446 T447 E448 A481 Y483	T440-H444 PolarHBondContact O-CD2 3.29Å; T440-H444 VanDerWaalsContact O-CD2 3.26Å; T440-H444 PolarHBondContact O-N 2.7Å; T440-H444 VanDerWaalsContact O-N 3.13Å; A441-H444 PolarHBondContact O-N 2.87Å; H444-C446 VanDerWaalsContact C-N 3.3Å; H444-C446 PolarHBondContact O-N 3.01Å; H444-T447 CarbonylContact O-C 3.51Å; H444-T447 WeakPolarHBondContact O-CA 3.45Å; H444-T447 VanDerWaalsContact O-CB 3.24Å; H444-T447 WeakPolarHBondContact O-CB 3.39Å; H444-T447 PolarHBondContact O-N 2.89Å; H444-E448 PolarHBondContact O-N 3.3Å; H444-A481 PolarHBondContact NE2-O 3.4Å; H444-Y483 AromaticContact CE1-CD2 3.71Å; H444-Y483 AromaticContact ND1-CD2 3.62Å; H444-Y483 AromaticContact ND1-CE2 3.96Å
445	L	98.3	Very high	97.5	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-62.8	-31.9	177.5	-172.9	65.1	0	0	0	113.6	A441 F442 T447 E448 N449 W455 N466 C467 H470	A441-L445 PolarHBondContact O-N 3.38Å; F442-L445 PolarHBondContact O-N 3.41Å; L445-T447 PolarHBondContact O-N 2.81Å; L445-E448 WeakPolarHBondContact CD1-OE2 3.43Å; L445-E448 PolarHBondContact O-N 2.99Å; L445-N449 WeakPolarHBondContact CD1-ND2 3.25Å; L445-N449 WeakPolarHBondContact O-CB 3.49Å; L445-N449 PolarHBondContact O-N 3.26Å; L445-W455 HydrophobicContact CD2-CH2 4.07Å; L445-W455 HydrophobicContact CG-CH2 4.22Å; L445-W455 HydrophobicContact CG-CZ2 4.32Å; L445-N466 HydrophobicContact CD2-CB 4.3Å; L445-C467 HydrophobicContact CD2-CB 4.23Å; L445-H470 HydrophobicContact CD1-CB 4.1Å; L445-H470 HydrophobicContact CD2-CB 4.2Å
446	C	98.4	Very high	97.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70.2	-20.8	170.5	-69.8	0	0	0	0	113.4	W343 F442 F443 H444 N449	W343-C446 HydrophobicContact CD2-CB 4.12Å; W343-C446 HydrophobicContact CE3-CB 3.91Å; W343-C446 HydrophobicContact CH2-CB 3.48Å; W343-C446 VanDerWaalsContact CH2-CB 3.48Å; W343-C446 HydrophobicContact CZ2-CB 3.65Å; W343-C446 HydrophobicContact CZ3-CB 3.61Å; F442-C446 WeakPolarHBondContact CZ-SG 3.27Å; F442-C446 WeakPolarHBondContact O-CB 3.39Å; F442-C446 PolarHBondContact O-N 2.73Å; F442-C446 PolarHBondContact O-SG 2.98Å; F443-C446 PolarHBondContact O-N 2.92Å; H444-C446 VanDerWaalsContact C-N 3.3Å; H444-C446 PolarHBondContact O-N 3.01Å; C446-N449 CarbonylContact O-C 3.55Å
447	T	98.1	Very high	97.5	Very high	30 Å²	30	33.3 Å²	33.3	18%	0.184	18%	0.178	C	C	.	.	H	α-helix	trans	-83.3	-37	173.8	-50.7	0	0	0	0	111.1	A339 F443 H444 L445 Y483	A339-T447 HydrophobicContact CB-CG2 3.88Å; A339-T447 WeakPolarHBondContact O-CG2 3.13Å; F443-T447 PolarHBondContact O-N 3.29Å; F443-T447 VanDerWaalsContact O-N 3.15Å; F443-T447 PolarHBondContact O-OG1 2.65Å; H444-T447 CarbonylContact O-C 3.51Å; H444-T447 WeakPolarHBondContact O-CA 3.45Å; H444-T447 VanDerWaalsContact O-CB 3.24Å; H444-T447 WeakPolarHBondContact O-CB 3.39Å; H444-T447 PolarHBondContact O-N 2.89Å; L445-T447 PolarHBondContact O-N 2.81Å; T447-Y483 WeakPolarHBondContact OG1-CE2 3.47Å; T447-Y483 PolarHBondContact OG1-OH 3.09Å
448	E	97.6	Very high	97.2	Very high	115 Å²	115	39.1 Å²	39.1	54%	0.537	20%	0.203	S	C	.	.	H	α-helix	trans	-68	-40.3	172.5	-67.6	168.7	176.2	0	0	112.1	H444 L445 P450 H470	H444-E448 PolarHBondContact O-N 3.3Å; L445-E448 WeakPolarHBondContact CD1-OE2 3.43Å; L445-E448 PolarHBondContact O-N 2.99Å; E448-P450 WeakPolarHBondContact O-CD 3.18Å; E448-H470 IonicContact OE1-CE1 2.76Å; E448-H470 PolarHBondContact OE1-CE1 3.45Å; E448-H470 VanDerWaalsContact OE1-CE1 3.24Å; E448-H470 IonicContact OE1-ND1 2.66Å; E448-H470 IonicContact OE2-CE1 3.87Å; E448-H470 PolarHBondContact OE2-CE1 2.93Å; E448-H470 VanDerWaalsContact OE2-CE1 3.27Å; E448-H470 IonicContact OE2-ND1 3.54Å; E448-H470 PolarHBondContact OE2-ND1 2.94Å
449	N	97.7	Very high	97.1	Very high	39 Å²	39	42.9 Å²	42.9	21%	0.209	22%	0.223	C	C	.	.	S	Bend	trans	-112.8	72.7	178.4	-64.5	-53.1	0	0	0	111.2	L445 C446 Q454 W455	L445-N449 WeakPolarHBondContact CD1-ND2 3.25Å; L445-N449 WeakPolarHBondContact O-CB 3.49Å; L445-N449 PolarHBondContact O-N 3.26Å; C446-N449 CarbonylContact O-C 3.55Å; N449-Q454 HydrophobicContact CB-CB 4.23Å; N449-Q454 PolarHBondContact OD1-NE2 2.56Å; N449-W455 HydrophobicContact CB-CZ2 4.26Å; N449-W455 PolarHBondContact O-NE1 2.95Å
450	P	97.3	Very high	97	Very high	21 Å²	21	42.1 Å²	42.1	14%	0.136	22%	0.22	C	C	.	.			trans	-74.4	-25.9	-171	30	-36.8	0	0	0	114	W343 K392 R406 E448	W343-P450 HydrophobicContact CB-CB 3.99Å; W343-P450 HydrophobicContact CG-CB 4.47Å; K392-P450 WeakPolarHBondContact CB-O 3.43Å; R406-P450 PolarHBondContact NH2-O 2.82Å; E448-P450 WeakPolarHBondContact O-CD 3.18Å
451	Q	97.1	Very high	96.8	Very high	93 Å²	93	43 Å²	43	44%	0.435	23%	0.23	S	C	.	.	S	Bend	trans	-78.3	141.4	-170.7	-54.9	-65.4	-4.9	0	0	111.7	R406 S453 Q454	R406-Q451 PolarHBondContact NH2-O 2.62Å; Q451-S453 VanDerWaalsContact C-N 3.26Å; Q451-S453 PolarHBondContact O-N 3.19Å; Q451-Q454 HydrophobicContact CB-CG 4.12Å; Q451-Q454 WeakPolarHBondContact O-CB 3.2Å; Q451-Q454 PolarHBondContact O-N 2.79Å; Q451-Q454 VanDerWaalsContact O-N 3.11Å
452	D	95.8	Very high	96.7	Very high	34 Å²	34	47.8 Å²	47.8	18%	0.182	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-65.8	-28	-178.4	-65.7	-38.6	0	0	0	113.4	G391 K392 S393 C396 R406 Q454 W455	G391-D452 VanDerWaalsContact CA-OD1 3.28Å; G391-D452 WeakPolarHBondContact CA-OD1 3.47Å; K392-D452 WeakPolarHBondContact CB-OD2 3.34Å; K392-D452 VanDerWaalsContact N-CG 3.31Å; K392-D452 PolarHBondContact N-OD1 3.13Å; K392-D452 PolarHBondContact N-OD2 3.01Å; S393-D452 PolarHBondContact N-OD2 3.03Å; C396-D452 PolarHBondContact SG-OD1 3.13Å; R406-D452 IonicContact CZ-OD1 3.91Å; R406-D452 IonicContact NH1-OD1 3.66Å; R406-D452 PolarHBondContact NH1-OD1 3.35Å; R406-D452 IonicContact NH2-OD1 2.66Å; R406-D452 PolarHBondContact NH2-OD1 3.41Å; D452-Q454 VanDerWaalsContact C-N 3.26Å; D452-Q454 PolarHBondContact O-N 2.73Å; D452-W455 CarbonylContact O-C 3.55Å; D452-W455 PolarHBondContact O-N 2.88Å; D452-W455 VanDerWaalsContact O-N 3.09Å
453	S	95.3	Very high	96.7	Very high	96 Å²	96	47.6 Å²	47.6	67%	0.671	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-66.5	-22.5	173.8	50.7	0	0	0	0	114	Q451 W455	Q451-S453 VanDerWaalsContact C-N 3.26Å; Q451-S453 PolarHBondContact O-N 3.19Å; S453-W455 PolarHBondContact O-N 3.23Å
454	Q	96.9	Very high	96.7	Very high	77 Å²	77	47.6 Å²	47.6	36%	0.36	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-73.8	-1.9	172.9	-60.5	174.5	-80.7	0	0	112.5	N449 Q451 D452 C463	N449-Q454 HydrophobicContact CB-CB 4.23Å; N449-Q454 PolarHBondContact OD1-NE2 2.56Å; Q451-Q454 HydrophobicContact CB-CG 4.12Å; Q451-Q454 WeakPolarHBondContact O-CB 3.2Å; Q451-Q454 PolarHBondContact O-N 2.79Å; Q451-Q454 VanDerWaalsContact O-N 3.11Å; D452-Q454 VanDerWaalsContact C-N 3.26Å; D452-Q454 PolarHBondContact O-N 2.73Å; Q454-C463 PolarHBondContact O-SG 2.89Å; Q454-C463 VanDerWaalsContact O-SG 3.34Å
455	W	97.3	Very high	96.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.015	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-134.6	34.2	-177.7	-57.1	88.2	0	0	0	111.2	C404 C405 R406 C409 F442 L445 N449 D452 S453 C463	C404-W455 CarbonylContact C-O 3.55Å; C404-W455 WeakPolarHBondContact CA-O 3.1Å; C404-W455 HydrophobicContact CB-CB 3.98Å; C404-W455 VanDerWaalsContact CB-O 3.27Å; C404-W455 WeakPolarHBondContact CB-O 3.47Å; C405-W455 PolarHBondContact N-O 2.68Å; C405-W455 VanDerWaalsContact SG-C 3.53Å; C405-W455 VanDerWaalsContact SG-CA 3.6Å; C405-W455 PolarHBondContact SG-O 3.14Å; R406-W455 HydrophobicContact CB-CE3 4.39Å; R406-W455 HydrophobicContact CG-CB 3.96Å; R406-W455 HydrophobicContact CG-CD2 3.37Å; R406-W455 HydrophobicContact CG-CE3 3.62Å; R406-W455 HydrophobicContact CG-CG 3.53Å; R406-W455 HydrophobicContact CG-CZ2 4.46Å; R406-W455 HydrophobicContact CG-CZ3 4.26Å; R406-W455 VanDerWaalsContact NE-CD1 3.34Å; C409-W455 HydrophobicContact CB-CZ3 4.15Å; F442-W455 HydrophobicContact CD2-CH2 4.48Å; F442-W455 HydrophobicContact CE2-CH2 4.11Å; F442-W455 HydrophobicContact CE2-CZ3 4.14Å; L445-W455 HydrophobicContact CD2-CH2 4.07Å; L445-W455 HydrophobicContact CG-CH2 4.22Å; L445-W455 HydrophobicContact CG-CZ2 4.32Å; N449-W455 HydrophobicContact CB-CZ2 4.26Å; N449-W455 PolarHBondContact O-NE1 2.95Å; D452-W455 CarbonylContact O-C 3.55Å; D452-W455 PolarHBondContact O-N 2.88Å; D452-W455 VanDerWaalsContact O-N 3.09Å; S453-W455 PolarHBondContact O-N 3.23Å; W455-C463 HydrophobicContact CE3-CB 4.03Å; W455-C463 HydrophobicContact CZ3-CB 4.38Å
456	D	95.3	Very high	96.6	Very high	41 Å²	41	50.2 Å²	50.2	22%	0.219	27%	0.269	C	S	.	.			trans	-57.5	133.7	175	-172.2	-50.9	0	0	0	110	K458 D459	D456-K458 PolarHBondContact O-N 2.85Å; D456-K458 VanDerWaalsContact O-N 3.09Å; D456-K458 VanDerWaalsContact OD1-CB 3.26Å; D456-K458 WeakPolarHBondContact OD1-CB 3.37Å; D456-K458 WeakPolarHBondContact OD1-CD 3.22Å; D456-K458 WeakPolarHBondContact OD1-CG 3.18Å; D456-K458 PolarHBondContact OD1-N 3.15Å; D456-K458 IonicContact OD1-NZ 2.68Å; D456-K458 PolarHBondContact OD1-NZ 2.74Å; D456-K458 IonicContact OD2-NZ 3.62Å; D456-K458 PolarHBondContact OD2-NZ 3.29Å; D456-D459 PolarHBondContact O-N 3.41Å
457	P	93.7	Very high	96.6	Very high	40 Å²	40	50.5 Å²	50.5	26%	0.26	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-56.4	-22.5	177.2	-26.8	36.1	0	0	0	115.1	R166 K403	R166-P457 VanDerWaalsContact CZ-O 3.24Å; R166-P457 PolarHBondContact NH1-O 3.37Å; R166-P457 PolarHBondContact NH2-O 3.07Å; K403-P457 HydrophobicContact CB-CG 3.83Å; K403-P457 WeakPolarHBondContact O-CD 3.23Å; K403-P457 VanDerWaalsContact O-CG 3.24Å; K403-P457 WeakPolarHBondContact O-CG 3.5Å
458	K	92.9	Very high	96.7	Very high	141 Å²	141	49 Å²	49	61%	0.613	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-63.6	-45.8	173.8	-64	166	-155.2	119.8	0	110.9	R166 D456 L460	R166-K458 PolarHBondContact NH2-O 3.4Å; R166-K458 VanDerWaalsContact NH2-O 3.13Å; D456-K458 PolarHBondContact O-N 2.85Å; D456-K458 VanDerWaalsContact O-N 3.09Å; D456-K458 VanDerWaalsContact OD1-CB 3.26Å; D456-K458 WeakPolarHBondContact OD1-CB 3.37Å; D456-K458 WeakPolarHBondContact OD1-CD 3.22Å; D456-K458 WeakPolarHBondContact OD1-CG 3.18Å; D456-K458 PolarHBondContact OD1-N 3.15Å; D456-K458 IonicContact OD1-NZ 2.68Å; D456-K458 PolarHBondContact OD1-NZ 2.74Å; D456-K458 IonicContact OD2-NZ 3.62Å; D456-K458 PolarHBondContact OD2-NZ 3.29Å; K458-L460 PolarHBondContact O-N 2.75Å
459	D	94.9	Very high	96.7	Very high	82 Å²	82	45.9 Å²	45.9	44%	0.439	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-87.1	17.8	-171.5	-57.2	-44.8	0	0	0	113.5	D456 G461 L462 C463	D456-D459 PolarHBondContact O-N 3.41Å; D459-G461 PolarHBondContact O-N 3.37Å; D459-L462 WeakPolarHBondContact O-CA 3.4Å; D459-L462 WeakPolarHBondContact O-CB 3.46Å; D459-L462 PolarHBondContact O-N 3.25Å; D459-C463 PolarHBondContact O-N 3.36Å; D459-C463 PolarHBondContact O-SG 3.15Å; D459-C463 VanDerWaalsContact O-SG 3.39Å
460	L	96.1	Very high	96.8	Very high	3 Å²	3	45 Å²	45	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-41.1	-40.5	178.4	174.5	67.2	0	0	0	114.1	L165 R166 L169 C405 D408 L412 K458 F464	L165-L460 HydrophobicContact CB-CD2 4.07Å; R166-L460 HydrophobicContact CG-CD2 3.77Å; L169-L460 HydrophobicContact CD1-CD1 4.1Å; L169-L460 HydrophobicContact CD1-CD2 3.63Å; C405-L460 HydrophobicContact CB-CD1 3.96Å; D408-L460 HydrophobicContact CB-CD1 4.32Å; L412-L460 HydrophobicContact CD1-CD1 4.09Å; K458-L460 PolarHBondContact O-N 2.75Å; L460-F464 VanDerWaalsContact O-CB 3.24Å; L460-F464 WeakPolarHBondContact O-CB 3.07Å; L460-F464 PolarHBondContact O-N 3.31Å
461	G	96.1	Very high	96.8	Very high	22 Å²	22	44.1 Å²	44.1	23%	0.227	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-47.8	177.4	0	0	0	0	0	112.9	D459 D465	D459-G461 PolarHBondContact O-N 3.37Å; G461-D465 VanDerWaalsContact O-CB 3.26Å; G461-D465 WeakPolarHBondContact O-CB 3.2Å; G461-D465 PolarHBondContact O-N 2.76Å
462	L	96.3	Very high	96.9	Very high	104 Å²	104	39.7 Å²	39.7	55%	0.545	22%	0.219	S	C	.	.	H	α-helix	trans	-67.1	-42.7	176.5	176.9	61.5	0	0	0	111.3	D459 F464 D465 N466	D459-L462 WeakPolarHBondContact O-CA 3.4Å; D459-L462 WeakPolarHBondContact O-CB 3.46Å; D459-L462 PolarHBondContact O-N 3.25Å; L462-F464 VanDerWaalsContact C-N 3.35Å; L462-F464 PolarHBondContact O-N 3.3Å; L462-D465 PolarHBondContact O-N 3.04Å; L462-N466 WeakPolarHBondContact O-CB 3.44Å; L462-N466 PolarHBondContact O-N 2.8Å; L462-N466 PolarHBondContact O-ND2 2.93Å
463	C	97.9	Very high	97	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.02	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-38.4	178.6	-57.6	0	0	0	0	112.2	C405 Q454 W455 D459 C467	C405-C463 WeakPolarHBondContact SG-CB 3.48Å; C405-C463 PolarHBondContact SG-SG 3.07Å; Q454-C463 PolarHBondContact O-SG 2.89Å; Q454-C463 VanDerWaalsContact O-SG 3.34Å; W455-C463 HydrophobicContact CE3-CB 4.03Å; W455-C463 HydrophobicContact CZ3-CB 4.38Å; D459-C463 PolarHBondContact O-N 3.36Å; D459-C463 PolarHBondContact O-SG 3.15Å; D459-C463 VanDerWaalsContact O-SG 3.39Å; C463-C467 PolarHBondContact O-N 2.83Å; C463-C467 PolarHBondContact O-SG 3.48Å; C463-C467 VanDerWaalsContact O-SG 3.35Å
464	F	98.3	Very high	97.2	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-69.1	-43.2	173	175.1	-122	0	0	0	112	L165 L412 M413 L416 L460 L462 N466 C467 V468 F516 F519	L165-F464 HydrophobicContact CD1-CB 4.36Å; L165-F464 HydrophobicContact CD1-CD1 3.74Å; L165-F464 HydrophobicContact CD1-CG 4.42Å; L165-F464 HydrophobicContact CD2-CD1 3.83Å; L165-F464 HydrophobicContact CD2-CE1 3.84Å; L165-F464 HydrophobicContact CG-CD1 4.46Å; L412-F464 HydrophobicContact CB-CD2 3.59Å; L412-F464 HydrophobicContact CB-CE2 3.48Å; L412-F464 VanDerWaalsContact CB-CE2 3.48Å; L412-F464 HydrophobicContact CB-CG 4.27Å; L412-F464 HydrophobicContact CB-CZ 4.05Å; L412-F464 HydrophobicContact CD1-CB 4.38Å; L412-F464 HydrophobicContact CD1-CD2 4.24Å; L412-F464 HydrophobicContact CD1-CG 4.13Å; M413-F464 HydrophobicContact CG-CD2 3.99Å; M413-F464 HydrophobicContact CG-CE2 3.78Å; M413-F464 HydrophobicContact SD-CD2 4.07Å; M413-F464 HydrophobicContact SD-CE2 3.59Å; M413-F464 VanDerWaalsContact SD-CE2 3.59Å; M413-F464 HydrophobicContact SD-CZ 4.5Å; L416-F464 HydrophobicContact CD2-CZ 4.33Å; L460-F464 VanDerWaalsContact O-CB 3.24Å; L460-F464 WeakPolarHBondContact O-CB 3.07Å; L460-F464 PolarHBondContact O-N 3.31Å; L462-F464 VanDerWaalsContact C-N 3.35Å; L462-F464 PolarHBondContact O-N 3.3Å; F464-N466 VanDerWaalsContact C-N 3.28Å; F464-N466 PolarHBondContact O-N 3.1Å; F464-C467 WeakPolarHBondContact O-CA 3.31Å; F464-C467 VanDerWaalsContact O-CB 3.31Å; F464-C467 WeakPolarHBondContact O-CB 3.34Å; F464-C467 PolarHBondContact O-N 2.95Å; F464-V468 HydrophobicContact CD2-CG2 4.37Å; F464-V468 HydrophobicContact CE1-CG2 4.23Å; F464-V468 HydrophobicContact CE2-CG2 3.93Å; F464-V468 HydrophobicContact CZ-CG2 3.87Å; F464-V468 WeakPolarHBondContact O-CG2 3.33Å; F464-V468 PolarHBondContact O-N 3.23Å; F464-F516 HydrophobicContact CD1-CE2 4.27Å; F464-F516 HydrophobicContact CD1-CZ 4.33Å; F464-F516 HydrophobicContact CE1-CD1 4.3Å; F464-F516 HydrophobicContact CE1-CD2 4.05Å; F464-F516 AromaticContact CE1-CE1 3.88Å; F464-F516 HydrophobicContact CE1-CE1 3.88Å; F464-F516 AromaticContact CE1-CE2 3.62Å; F464-F516 HydrophobicContact CE1-CE2 3.62Å; F464-F516 HydrophobicContact CE1-CG 4.38Å; F464-F516 AromaticContact CE1-CZ 3.52Å; F464-F516 HydrophobicContact CE1-CZ 3.52Å; F464-F516 HydrophobicContact CZ-CD1 4.46Å; F464-F516 HydrophobicContact CZ-CE1 4.06Å; F464-F516 HydrophobicContact CZ-CZ 4.13Å; F464-F519 HydrophobicContact CE1-CE2 4.08Å; F464-F519 HydrophobicContact CE1-CZ 4.35Å; F464-F519 HydrophobicContact CZ-CE2 4.11Å; F464-F519 AromaticContact CZ-CZ 3.91Å; F464-F519 HydrophobicContact CZ-CZ 3.91Å
465	D	97.9	Very high	97.3	Very high	47 Å²	47	36.1 Å²	36.1	25%	0.251	19%	0.191	S	C	.	.	H	α-helix	trans	-63.7	-32.9	177.1	-171.4	69.1	0	0	0	112.7	G461 L462 V468 T469 R512	G461-D465 VanDerWaalsContact O-CB 3.26Å; G461-D465 WeakPolarHBondContact O-CB 3.2Å; G461-D465 PolarHBondContact O-N 2.76Å; L462-D465 PolarHBondContact O-N 3.04Å; D465-V468 PolarHBondContact O-N 3.11Å; D465-T469 WeakPolarHBondContact O-CB 3.38Å; D465-T469 PolarHBondContact O-N 2.93Å; D465-T469 PolarHBondContact O-OG1 2.87Å; D465-R512 IonicContact OD1-CZ 3.59Å; D465-R512 IonicContact OD1-NE 3.97Å; D465-R512 PolarHBondContact OD1-NE 2.64Å; D465-R512 IonicContact OD1-NH2 2.87Å; D465-R512 PolarHBondContact OD1-NH2 3.1Å; D465-R512 IonicContact OD2-CZ 2.67Å; D465-R512 IonicContact OD2-NE 2.9Å; D465-R512 IonicContact OD2-NH2 3.24Å; D465-R512 PolarHBondContact OD2-NH2 3.32Å
466	N	98.3	Very high	97.3	Very high	61 Å²	61	43.2 Å²	43.2	33%	0.326	22%	0.218	S	C	.	.	H	α-helix	trans	-64	-41.9	168.6	-72.6	-26.1	0	0	0	111.8	L445 L462 F464 T469 H470	L445-N466 HydrophobicContact CD2-CB 4.3Å; L462-N466 WeakPolarHBondContact O-CB 3.44Å; L462-N466 PolarHBondContact O-N 2.8Å; L462-N466 PolarHBondContact O-ND2 2.93Å; F464-N466 VanDerWaalsContact C-N 3.28Å; F464-N466 PolarHBondContact O-N 3.1Å; N466-T469 PolarHBondContact O-N 3.14Å; N466-H470 WeakPolarHBondContact O-CB 3.33Å; N466-H470 PolarHBondContact O-N 2.96Å
467	C	98.6	Very high	97.4	Very high	6 Å²	6	44.8 Å²	44.8	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-43.2	172.6	-64.8	0	0	0	0	112.3	M413 L445 C463 F464 F471	M413-C467 HydrophobicContact CE-CB 4.21Å; M413-C467 WeakPolarHBondContact CE-O 3.38Å; M413-C467 HydrophobicContact CG-CB 3.54Å; M413-C467 HydrophobicContact SD-CB 3.65Å; L445-C467 HydrophobicContact CD2-CB 4.23Å; C463-C467 PolarHBondContact O-N 2.83Å; C463-C467 PolarHBondContact O-SG 3.48Å; C463-C467 VanDerWaalsContact O-SG 3.35Å; F464-C467 WeakPolarHBondContact O-CA 3.31Å; F464-C467 VanDerWaalsContact O-CB 3.31Å; F464-C467 WeakPolarHBondContact O-CB 3.34Å; F464-C467 PolarHBondContact O-N 2.95Å; C467-F471 WeakPolarHBondContact O-CB 3.45Å; C467-F471 PolarHBondContact O-N 3.06Å
468	V	98.6	Very high	97.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-44.7	176.1	172.8	0	0	0	0	110.6	M413 L416 F464 D465 F471 L472 I508 R512 F516	M413-V468 HydrophobicContact SD-CB 4.37Å; M413-V468 HydrophobicContact SD-CG2 3.53Å; M413-V468 VanDerWaalsContact SD-CG2 3.53Å; L416-V468 HydrophobicContact CD2-CG2 4.36Å; F464-V468 HydrophobicContact CD2-CG2 4.37Å; F464-V468 HydrophobicContact CE1-CG2 4.23Å; F464-V468 HydrophobicContact CE2-CG2 3.93Å; F464-V468 HydrophobicContact CZ-CG2 3.87Å; F464-V468 WeakPolarHBondContact O-CG2 3.33Å; F464-V468 PolarHBondContact O-N 3.23Å; D465-V468 PolarHBondContact O-N 3.11Å; V468-F471 PolarHBondContact O-N 3.37Å; V468-L472 HydrophobicContact CG1-CD1 3.99Å; V468-L472 HydrophobicContact CG1-CG 4.46Å; V468-L472 WeakPolarHBondContact O-CB 3.35Å; V468-L472 WeakPolarHBondContact O-CG 3.49Å; V468-L472 PolarHBondContact O-N 3.21Å; V468-I508 HydrophobicContact CG1-CG2 3.64Å; V468-R512 HydrophobicContact CG1-CB 4.44Å; V468-R512 HydrophobicContact CG1-CG 4.37Å; V468-F516 HydrophobicContact CG2-CE1 4.21Å; V468-F516 HydrophobicContact CG2-CZ 4.11Å
469	T	98.7	Very high	97.9	Very high	48 Å²	48	45.7 Å²	45.7	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-50	179.8	-60.7	0	0	0	0	112.2	D465 N466 F471 L472 Q473 R512	D465-T469 WeakPolarHBondContact O-CB 3.38Å; D465-T469 PolarHBondContact O-N 2.93Å; D465-T469 PolarHBondContact O-OG1 2.87Å; N466-T469 PolarHBondContact O-N 3.14Å; T469-F471 VanDerWaalsContact C-N 3.34Å; T469-F471 PolarHBondContact O-N 3.02Å; T469-L472 PolarHBondContact O-N 3.38Å; T469-Q473 WeakPolarHBondContact O-CB 3.48Å; T469-Q473 PolarHBondContact O-N 3.05Å; T469-R512 VanDerWaalsContact OG1-CZ 3.27Å; T469-R512 PolarHBondContact OG1-NH1 2.94Å; T469-R512 PolarHBondContact OG1-NH2 2.95Å
470	H	98.7	Very high	98.1	Very high	20 Å²	20	41.9 Å²	41.9	9%	0.093	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-41.4	177.6	-178.9	112.5	0	0	0	111	L445 E448 N466 Q473 C474	L445-H470 HydrophobicContact CD1-CB 4.1Å; L445-H470 HydrophobicContact CD2-CB 4.2Å; E448-H470 IonicContact OE1-CE1 2.76Å; E448-H470 PolarHBondContact OE1-CE1 3.45Å; E448-H470 VanDerWaalsContact OE1-CE1 3.24Å; E448-H470 IonicContact OE1-ND1 2.66Å; E448-H470 IonicContact OE2-CE1 3.87Å; E448-H470 PolarHBondContact OE2-CE1 2.93Å; E448-H470 VanDerWaalsContact OE2-CE1 3.27Å; E448-H470 IonicContact OE2-ND1 3.54Å; E448-H470 PolarHBondContact OE2-ND1 2.94Å; N466-H470 WeakPolarHBondContact O-CB 3.33Å; N466-H470 PolarHBondContact O-N 2.96Å; H470-Q473 WeakPolarHBondContact O-CB 3.44Å; H470-Q473 PolarHBondContact O-N 3.49Å; H470-C474 PolarHBondContact O-N 2.92Å; H470-C474 PolarHBondContact O-SG 3.31Å
471	F	98.8	Very high	98.1	Very high	3 Å²	3	43.4 Å²	43.4	1%	0.013	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-39.8	178	-169.6	-111.2	0	0	0	113	M413 H437 V438 A441 C467 V468 T469 Q473 C474 L475 F491 L504 I508	M413-F471 HydrophobicContact CE-CB 3.62Å; M413-F471 HydrophobicContact CE-CD1 4.18Å; M413-F471 HydrophobicContact CE-CG 3.95Å; H437-F471 HydrophobicContact CB-CE2 4.16Å; V438-F471 HydrophobicContact CG2-CE2 4.23Å; V438-F471 HydrophobicContact CG2-CZ 4.16Å; A441-F471 HydrophobicContact CB-CD2 3.75Å; C467-F471 WeakPolarHBondContact O-CB 3.45Å; C467-F471 PolarHBondContact O-N 3.06Å; V468-F471 PolarHBondContact O-N 3.37Å; T469-F471 VanDerWaalsContact C-N 3.34Å; T469-F471 PolarHBondContact O-N 3.02Å; F471-Q473 VanDerWaalsContact C-N 3.34Å; F471-C474 PolarHBondContact O-N 2.96Å; F471-L475 HydrophobicContact CD1-CD1 3.92Å; F471-L475 HydrophobicContact CE1-CD1 3.77Å; F471-L475 HydrophobicContact CE1-CG 4.35Å; F471-L475 HydrophobicContact CZ-CD1 4.48Å; F471-L475 WeakPolarHBondContact O-CG 3.26Å; F471-L475 PolarHBondContact O-N 2.76Å; F471-F491 HydrophobicContact CE2-CE2 4.36Å; F471-F491 AromaticContact CE2-CZ 3.74Å; F471-F491 HydrophobicContact CE2-CZ 3.74Å; F471-F491 AromaticContact CZ-CZ 3.97Å; F471-F491 HydrophobicContact CZ-CZ 3.97Å; F471-L504 HydrophobicContact CE1-CD2 4.11Å; F471-L504 HydrophobicContact CZ-CD2 4.42Å; F471-I508 HydrophobicContact CD1-CD1 3.77Å; F471-I508 HydrophobicContact CE1-CD1 3.74Å
472	L	98.7	Very high	98.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-41.2	170.5	-77.9	172.5	0	0	0	111.7	V468 T469 L475 R476 I508 E509	V468-L472 HydrophobicContact CG1-CD1 3.99Å; V468-L472 HydrophobicContact CG1-CG 4.46Å; V468-L472 WeakPolarHBondContact O-CB 3.35Å; V468-L472 WeakPolarHBondContact O-CG 3.49Å; V468-L472 PolarHBondContact O-N 3.21Å; T469-L472 PolarHBondContact O-N 3.38Å; L472-L475 PolarHBondContact O-N 3.39Å; L472-R476 WeakPolarHBondContact O-CB 3.31Å; L472-R476 WeakPolarHBondContact O-CG 3.44Å; L472-R476 PolarHBondContact O-N 3.25Å; L472-I508 HydrophobicContact CD1-CG2 4.08Å; L472-I508 HydrophobicContact CD2-CB 3.96Å; L472-I508 HydrophobicContact CD2-CG2 3.79Å; L472-I508 HydrophobicContact CG-CG2 3.86Å; L472-E509 HydrophobicContact CD1-CG 3.93Å; L472-E509 HydrophobicContact CD2-CG 3.89Å
473	Q	98.6	Very high	98.4	Very high	117 Å²	117	38.2 Å²	38.2	55%	0.547	19%	0.19	S	C	.	.	H	α-helix	trans	-62.1	-43.5	175.6	-176.2	174	-11.5	0	0	111.7	T469 H470 F471 L475 R476 T477	T469-Q473 WeakPolarHBondContact O-CB 3.48Å; T469-Q473 PolarHBondContact O-N 3.05Å; H470-Q473 WeakPolarHBondContact O-CB 3.44Å; H470-Q473 PolarHBondContact O-N 3.49Å; F471-Q473 VanDerWaalsContact C-N 3.34Å; Q473-L475 PolarHBondContact O-N 2.94Å; Q473-R476 PolarHBondContact O-N 2.97Å; Q473-T477 HydrophobicContact CG-CG2 4.41Å; Q473-T477 WeakPolarHBondContact O-CB 3.42Å; Q473-T477 WeakPolarHBondContact O-CG2 3.5Å; Q473-T477 PolarHBondContact O-N 3.49Å; Q473-T477 PolarHBondContact O-OG1 3.43Å
474	C	98.7	Very high	98.4	Very high	12 Å²	12	38.1 Å²	38.1	8%	0.081	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-44.9	173	-71.1	0	0	0	0	112.5	H470 F471 T477 E478 K479 L480 F491	H470-C474 PolarHBondContact O-N 2.92Å; H470-C474 PolarHBondContact O-SG 3.31Å; F471-C474 PolarHBondContact O-N 2.96Å; C474-T477 PolarHBondContact O-OG1 3.05Å; C474-E478 PolarHBondContact O-N 3.27Å; C474-E478 VanDerWaalsContact O-N 3.11Å; C474-K479 VanDerWaalsContact CA-O 3.31Å; C474-K479 WeakPolarHBondContact CA-O 3.24Å; C474-K479 VanDerWaalsContact CB-O 3.29Å; C474-K479 WeakPolarHBondContact CB-O 3.48Å; C474-K479 PolarHBondContact O-N 2.86Å; C474-K479 PolarHBondContact SG-O 2.61Å; C474-K479 VanDerWaalsContact SG-O 3.42Å; C474-L480 HydrophobicContact CB-CB 4.31Å; C474-L480 HydrophobicContact CB-CD1 4.49Å; C474-F491 HydrophobicContact CB-CD2 4.05Å; C474-F491 HydrophobicContact CB-CE2 3.76Å; C474-F491 WeakPolarHBondContact O-CD2 3.24Å
475	L	98.4	Very high	98.4	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-50.9	178.3	-72.1	167.8	0	0	0	111.8	F433 F471 L472 Q473 T477 E478 F491 K501 L504 S505 I508	F433-L475 HydrophobicContact CE1-CD2 3.68Å; F433-L475 HydrophobicContact CZ-CD2 4.1Å; F471-L475 HydrophobicContact CD1-CD1 3.92Å; F471-L475 HydrophobicContact CE1-CD1 3.77Å; F471-L475 HydrophobicContact CE1-CG 4.35Å; F471-L475 HydrophobicContact CZ-CD1 4.48Å; F471-L475 WeakPolarHBondContact O-CG 3.26Å; F471-L475 PolarHBondContact O-N 2.76Å; L472-L475 PolarHBondContact O-N 3.39Å; Q473-L475 PolarHBondContact O-N 2.94Å; L475-T477 VanDerWaalsContact C-N 3.34Å; L475-T477 PolarHBondContact O-N 3.34Å; L475-E478 PolarHBondContact O-N 3.35Å; L475-E478 VanDerWaalsContact O-N 3.13Å; L475-F491 HydrophobicContact CB-CE2 4.47Å; L475-F491 HydrophobicContact CD2-CD2 4.24Å; L475-F491 HydrophobicContact CD2-CE1 4.29Å; L475-F491 HydrophobicContact CD2-CE2 3.54Å; L475-F491 HydrophobicContact CD2-CZ 3.56Å; L475-F491 HydrophobicContact CG-CE2 3.8Å; L475-F491 HydrophobicContact CG-CZ 4.14Å; L475-K501 HydrophobicContact CD2-CB 4.14Å; L475-K501 HydrophobicContact CD2-CG 4.07Å; L475-L504 HydrophobicContact CD1-CB 4.49Å; L475-L504 HydrophobicContact CD1-CD2 4.17Å; L475-L504 HydrophobicContact CD1-CG 4.07Å; L475-L504 HydrophobicContact CD2-CD2 4.27Å; L475-S505 VanDerWaalsContact CB-OG 3.29Å; L475-S505 WeakPolarHBondContact CB-OG 3.42Å; L475-I508 HydrophobicContact CD1-CD1 4.32Å
476	R	98.1	Very high	98.3	Very high	154 Å²	154	38.9 Å²	38.9	58%	0.581	20%	0.196	S	C	*	.	H	α-helix	trans	-64.1	-34.2	-178.9	-68.5	168.3	-177	173.5	-2.4	113.3	L472 Q473 E478 E509	L472-R476 WeakPolarHBondContact O-CB 3.31Å; L472-R476 WeakPolarHBondContact O-CG 3.44Å; L472-R476 PolarHBondContact O-N 3.25Å; Q473-R476 PolarHBondContact O-N 2.97Å; R476-E478 VanDerWaalsContact C-N 3.33Å; R476-E509 IonicContact CZ-OE1 2.68Å; R476-E509 VanDerWaalsContact CZ-OE1 3.24Å; R476-E509 IonicContact NE-OE1 3.86Å; R476-E509 PolarHBondContact NE-OE1 2.83Å; R476-E509 IonicContact NH2-OE1 2.98Å; R476-E509 PolarHBondContact NH2-OE1 3.36Å
477	T	97.9	Very high	98.2	Very high	73 Å²	73	39.5 Å²	39.5	45%	0.448	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.5	176.6	59	0	0	0	0	113.5	Q473 C474 L475 K479	Q473-T477 HydrophobicContact CG-CG2 4.41Å; Q473-T477 WeakPolarHBondContact O-CB 3.42Å; Q473-T477 WeakPolarHBondContact O-CG2 3.5Å; Q473-T477 PolarHBondContact O-N 3.49Å; Q473-T477 PolarHBondContact O-OG1 3.43Å; C474-T477 PolarHBondContact O-OG1 3.05Å; L475-T477 VanDerWaalsContact C-N 3.34Å; L475-T477 PolarHBondContact O-N 3.34Å; T477-K479 WeakPolarHBondContact O-CG 3.33Å; T477-K479 PolarHBondContact O-N 3.42Å; T477-K479 VanDerWaalsContact O-N 3.17Å
478	E	98.1	Very high	98.1	Very high	54 Å²	54	40.3 Å²	40.3	25%	0.252	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	27.6	-173.8	-53.5	-168.7	-131.9	0	0	113.6	C474 L475 R476 N489 F491 K498 K501	C474-E478 PolarHBondContact O-N 3.27Å; C474-E478 VanDerWaalsContact O-N 3.11Å; L475-E478 PolarHBondContact O-N 3.35Å; L475-E478 VanDerWaalsContact O-N 3.13Å; R476-E478 VanDerWaalsContact C-N 3.33Å; E478-N489 PolarHBondContact O-ND2 3.43Å; E478-F491 CarbonylContact O-C 3.58Å; E478-K498 VanDerWaalsContact OE1-CD 3.3Å; E478-K498 WeakPolarHBondContact OE1-CD 3.48Å; E478-K498 VanDerWaalsContact OE1-CE 3.24Å; E478-K498 WeakPolarHBondContact OE1-CE 3.24Å; E478-K498 WeakPolarHBondContact OE1-CG 3.38Å; E478-K498 IonicContact OE1-NZ 2.65Å; E478-K501 HydrophobicContact CG-CD 4.45Å; E478-K501 WeakPolarHBondContact OE2-CE 3.35Å; E478-K501 IonicContact OE2-NZ 3.43Å; E478-K501 PolarHBondContact OE2-NZ 2.84Å
479	K	98	Very high	98	Very high	146 Å²	146	42.4 Å²	42.4	64%	0.635	23%	0.231	S	C	*	.			trans	-127.7	114.9	-173.3	-75.7	173.3	-176.4	-179.1	0	112.1	C474 T477	C474-K479 VanDerWaalsContact CA-O 3.31Å; C474-K479 WeakPolarHBondContact CA-O 3.24Å; C474-K479 VanDerWaalsContact CB-O 3.29Å; C474-K479 WeakPolarHBondContact CB-O 3.48Å; C474-K479 PolarHBondContact O-N 2.86Å; C474-K479 PolarHBondContact SG-O 2.61Å; C474-K479 VanDerWaalsContact SG-O 3.42Å; T477-K479 WeakPolarHBondContact O-CG 3.33Å; T477-K479 PolarHBondContact O-N 3.42Å; T477-K479 VanDerWaalsContact O-N 3.17Å
480	L	98.5	Very high	97.9	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	22%	0.22	C	C	.	.			trans	-143	85.5	167.9	179.1	61.2	0	0	0	108.5	H437 T440 A441 C474 N489 L490 F491	H437-L480 HydrophobicContact CB-CD2 3.81Å; T440-L480 HydrophobicContact CG2-CD1 3.93Å; T440-L480 HydrophobicContact CG2-CG 4.13Å; A441-L480 HydrophobicContact CB-CD1 3.88Å; C474-L480 HydrophobicContact CB-CB 4.31Å; C474-L480 HydrophobicContact CB-CD1 4.49Å; L480-N489 PolarHBondContact N-OD1 2.98Å; L480-N489 PolarHBondContact O-OD1 2.8Å; L480-L490 HydrophobicContact CB-CB 4.43Å; L480-L490 HydrophobicContact CD2-CB 4.36Å; L480-L490 HydrophobicContact CD2-CD1 4.22Å; L480-L490 HydrophobicContact CG-CB 4.36Å; L480-L490 HydrophobicContact CG-CD1 4.28Å; L480-L490 WeakPolarHBondContact O-CB 3.43Å; L480-L490 WeakPolarHBondContact O-CG 3.41Å; L480-L490 PolarHBondContact O-N 2.79Å; L480-F491 HydrophobicContact CB-CB 4.22Å; L480-F491 HydrophobicContact CB-CD1 4.27Å; L480-F491 HydrophobicContact CB-CD2 3.52Å; L480-F491 HydrophobicContact CB-CE2 3.93Å; L480-F491 HydrophobicContact CB-CG 3.73Å; L480-F491 HydrophobicContact CB-CZ 4.47Å; L480-F491 HydrophobicContact CD2-CD1 4.21Å; L480-F491 HydrophobicContact CD2-CD2 4.26Å; L480-F491 HydrophobicContact CD2-CE1 3.85Å; L480-F491 HydrophobicContact CD2-CE2 3.89Å; L480-F491 HydrophobicContact CD2-CG 4.43Å; L480-F491 HydrophobicContact CD2-CZ 3.68Å
481	A	98.1	Very high	97.9	Very high	35 Å²	35	39.7 Å²	39.7	29%	0.289	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	141.6	177	0	0	0	0	0	111.1	T440 H444 Y483	T440-A481 VanDerWaalsContact CG2-O 3.25Å; T440-A481 WeakPolarHBondContact CG2-O 3.43Å; H444-A481 PolarHBondContact NE2-O 3.4Å; A481-Y483 PolarHBondContact O-N 3.41Å
482	N	98.4	Very high	97.6	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.064	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	133.1	172.5	-178	-72.9	0	0	0	109.9	Y436 F484 I485 F488 L490	Y436-N482 PolarHBondContact OH-ND2 3.3Å; N482-F484 PolarHBondContact O-N 2.85Å; N482-F484 PolarHBondContact OD1-N 2.86Å; N482-I485 HydrophobicContact CB-CB 4.18Å; N482-I485 CarbonylContact O-C 3.48Å; N482-I485 PolarHBondContact O-N 3.26Å; N482-I485 VanDerWaalsContact O-N 3.09Å; N482-I485 PolarHBondContact OD1-N 2.98Å; N482-F488 HydrophobicContact CB-CB 4.31Å; N482-F488 HydrophobicContact CB-CD1 4.26Å; N482-F488 WeakPolarHBondContact CB-O 3.4Å; N482-F488 PolarHBondContact N-O 2.86Å; N482-L490 HydrophobicContact CB-CD2 4.34Å; N482-L490 HydrophobicContact CB-CG 4.47Å
483	Y	98.5	Very high	97.3	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.02	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.6	-173.3	-164.6	-108.6	0	0	0	114.1	L338 I340 I386 F443 H444 T447 A481	L338-Y483 HydrophobicContact CD1-CE1 3.98Å; L338-Y483 PolarHBondContact N-O 3.22Å; I340-Y483 HydrophobicContact CG2-CE1 4.16Å; I340-Y483 WeakPolarHBondContact CG2-OH 3.38Å; I386-Y483 HydrophobicContact CD1-CE1 4.26Å; F443-Y483 HydrophobicContact CB-CD1 4.02Å; F443-Y483 HydrophobicContact CB-CD2 3.56Å; F443-Y483 HydrophobicContact CB-CE1 4.1Å; F443-Y483 HydrophobicContact CB-CE2 3.69Å; F443-Y483 HydrophobicContact CB-CG 3.75Å; F443-Y483 HydrophobicContact CD2-CD1 4.13Å; F443-Y483 HydrophobicContact CD2-CG 4.2Å; F443-Y483 HydrophobicContact CG-CD1 4.32Å; F443-Y483 HydrophobicContact CG-CG 4.39Å; F443-Y483 WeakPolarHBondContact O-CE2 3.47Å; H444-Y483 AromaticContact CE1-CD2 3.71Å; H444-Y483 AromaticContact ND1-CD2 3.62Å; H444-Y483 AromaticContact ND1-CE2 3.96Å; T447-Y483 WeakPolarHBondContact OG1-CE2 3.47Å; T447-Y483 PolarHBondContact OG1-OH 3.09Å; A481-Y483 PolarHBondContact O-N 3.41Å
484	F	98.5	Very high	96.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-17.4	178.4	-58.2	-88.8	0	0	0	113.5	W330 T334 L338 F379 I382 E383 I386 N482	W330-F484 HydrophobicContact CH2-CD1 4.32Å; W330-F484 HydrophobicContact CZ3-CD1 4.04Å; T334-F484 WeakPolarHBondContact CA-O 3.25Å; T334-F484 WeakPolarHBondContact CB-O 3.48Å; L338-F484 HydrophobicContact CB-CD1 4.36Å; L338-F484 HydrophobicContact CD1-CD1 4.48Å; L338-F484 HydrophobicContact CD1-CE1 3.95Å; F379-F484 HydrophobicContact CB-CD1 3.76Å; F379-F484 HydrophobicContact CB-CD2 3.79Å; F379-F484 HydrophobicContact CB-CE1 3.72Å; F379-F484 HydrophobicContact CB-CE2 3.76Å; F379-F484 HydrophobicContact CB-CG 3.8Å; F379-F484 HydrophobicContact CB-CZ 3.73Å; F379-F484 HydrophobicContact CD1-CD1 4.1Å; F379-F484 HydrophobicContact CD1-CG 4.45Å; F379-F484 HydrophobicContact CD2-CB 3.44Å; F379-F484 VanDerWaalsContact CD2-CB 3.44Å; F379-F484 AromaticContact CD2-CD1 3.97Å; F379-F484 HydrophobicContact CD2-CD1 3.97Å; F379-F484 AromaticContact CD2-CD2 3.92Å; F379-F484 HydrophobicContact CD2-CD2 3.92Å; F379-F484 AromaticContact CD2-CG 3.49Å; F379-F484 HydrophobicContact CD2-CG 3.49Å; F379-F484 VanDerWaalsContact CD2-CG 3.49Å; F379-F484 HydrophobicContact CE2-CB 3.69Å; F379-F484 HydrophobicContact CE2-CG 4.22Å; F379-F484 HydrophobicContact CG-CB 4.06Å; F379-F484 AromaticContact CG-CD1 3.66Å; F379-F484 HydrophobicContact CG-CD1 3.66Å; F379-F484 HydrophobicContact CG-CD2 4.08Å; F379-F484 HydrophobicContact CG-CE1 4.11Å; F379-F484 AromaticContact CG-CG 3.64Å; F379-F484 HydrophobicContact CG-CG 3.64Å; F379-F484 HydrophobicContact CZ-CB 4.48Å; I382-F484 HydrophobicContact CB-CE1 3.96Å; I382-F484 HydrophobicContact CB-CZ 4.23Å; I382-F484 HydrophobicContact CG2-CE1 3.68Å; I382-F484 HydrophobicContact CG2-CZ 4.14Å; E383-F484 HydrophobicContact CG-CE2 3.48Å; E383-F484 VanDerWaalsContact CG-CE2 3.48Å; E383-F484 HydrophobicContact CG-CZ 3.6Å; E383-F484 WeakPolarHBondContact OE1-CE2 3.4Å; I386-F484 HydrophobicContact CD1-CE1 4.49Å; I386-F484 HydrophobicContact CD1-CZ 4.22Å; N482-F484 PolarHBondContact O-N 2.85Å; N482-F484 PolarHBondContact OD1-N 2.86Å
485	I	98	Very high	96.3	Very high	6 Å²	6	47 Å²	47	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	85	-171	-53.2	158.4	0	0	0	107.9	G246 A247 T334 L377 F379 N482 G487 F488	G246-I485 VanDerWaalsContact O-CG2 3.25Å; G246-I485 WeakPolarHBondContact O-CG2 3.22Å; A247-I485 HydrophobicContact CB-CD1 3.88Å; T334-I485 HydrophobicContact CG2-CG1 4.23Å; L377-I485 HydrophobicContact CB-CD1 4.09Å; L377-I485 HydrophobicContact CD1-CD1 3.77Å; L377-I485 HydrophobicContact CD1-CG1 4.21Å; F379-I485 HydrophobicContact CE2-CD1 4.42Å; F379-I485 HydrophobicContact CE2-CG1 4.45Å; N482-I485 HydrophobicContact CB-CB 4.18Å; N482-I485 CarbonylContact O-C 3.48Å; N482-I485 PolarHBondContact O-N 3.26Å; N482-I485 VanDerWaalsContact O-N 3.09Å; N482-I485 PolarHBondContact OD1-N 2.98Å; I485-G487 VanDerWaalsContact C-N 3.25Å; I485-G487 PolarHBondContact O-N 3.46Å; I485-G487 VanDerWaalsContact O-N 3.15Å; I485-F488 HydrophobicContact CB-CB 4.18Å; I485-F488 HydrophobicContact CG2-CB 3.74Å; I485-F488 PolarHBondContact O-N 3.46Å
486	P	96.2	Very high	96.1	Very high	58 Å²	58	47 Å²	47	38%	0.377	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	-30.4	-169.9	-27.8	36.6	0	0	0	115	E336 F488	E336-P486 HydrophobicContact CB-CG 4.37Å; P486-F488 VanDerWaalsContact C-N 3.29Å; P486-F488 PolarHBondContact O-N 2.85Å
487	G	95.6	Very high	95.9	Very high	74 Å²	74	41.6 Å²	41.6	76%	0.763	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69	-22.2	176	0	0	0	0	0	114.4	I485 N489	I485-G487 VanDerWaalsContact C-N 3.25Å; I485-G487 PolarHBondContact O-N 3.46Å; I485-G487 VanDerWaalsContact O-N 3.15Å; G487-N489 PolarHBondContact O-N 3.3Å
488	F	96.6	Very high	95.8	Very high	24 Å²	24	43.6 Å²	43.6	11%	0.105	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	90.3	-175.7	-167.8	-106.7	0	0	0	111.6	T245 A247 Y248 N482 I485 P486 L490 L495	T245-F488 VanDerWaalsContact O-CD2 3.26Å; T245-F488 WeakPolarHBondContact O-CD2 3.41Å; A247-F488 HydrophobicContact CB-CB 4.17Å; A247-F488 HydrophobicContact CB-CD1 4.04Å; A247-F488 HydrophobicContact CB-CD2 3.72Å; A247-F488 HydrophobicContact CB-CE1 4.39Å; A247-F488 HydrophobicContact CB-CE2 4.09Å; A247-F488 HydrophobicContact CB-CG 3.69Å; A247-F488 HydrophobicContact CB-CZ 4.42Å; Y248-F488 HydrophobicContact CD2-CE2 4.44Å; Y248-F488 AromaticContact CE2-CE2 3.86Å; Y248-F488 HydrophobicContact CE2-CE2 3.86Å; Y248-F488 AromaticContact CE2-CZ 3.79Å; Y248-F488 HydrophobicContact CE2-CZ 3.79Å; N482-F488 HydrophobicContact CB-CB 4.31Å; N482-F488 HydrophobicContact CB-CD1 4.26Å; N482-F488 WeakPolarHBondContact CB-O 3.4Å; N482-F488 PolarHBondContact N-O 2.86Å; I485-F488 HydrophobicContact CB-CB 4.18Å; I485-F488 HydrophobicContact CG2-CB 3.74Å; I485-F488 PolarHBondContact O-N 3.46Å; P486-F488 VanDerWaalsContact C-N 3.29Å; P486-F488 PolarHBondContact O-N 2.85Å; F488-L490 HydrophobicContact CD1-CD2 3.75Å; F488-L490 HydrophobicContact CE1-CD2 3.66Å; F488-L490 PolarHBondContact O-N 3.15Å; F488-L495 HydrophobicContact CE1-CD1 4.23Å; F488-L495 HydrophobicContact CZ-CD1 3.82Å
489	N	97.1	Very high	95.7	Very high	43 Å²	43	43.9 Å²	43.9	23%	0.23	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	117.5	174.8	-179.8	13.2	0	0	0	111.5	E478 L480 G487 F491 S492	E478-N489 PolarHBondContact O-ND2 3.43Å; L480-N489 PolarHBondContact N-OD1 2.98Å; L480-N489 PolarHBondContact O-OD1 2.8Å; G487-N489 PolarHBondContact O-N 3.3Å; N489-F491 VanDerWaalsContact C-N 3.29Å; N489-F491 PolarHBondContact O-N 3.11Å; N489-F491 PolarHBondContact OD1-N 3.3Å; N489-S492 PolarHBondContact ND2-N 3.48Å; N489-S492 PolarHBondContact O-N 2.8Å; N489-S492 PolarHBondContact O-OG 2.94Å; N489-S492 VanDerWaalsContact O-OG 3.05Å
490	L	97.1	Very high	95.6	Very high	11 Å²	11	37 Å²	37	6%	0.058	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.5	177.7	-57.2	-179.6	0	0	0	113.7	Y436 T440 L480 N482 F488	Y436-L490 HydrophobicContact CD1-CD1 3.94Å; Y436-L490 HydrophobicContact CE1-CD1 3.95Å; T440-L490 HydrophobicContact CG2-CD1 3.88Å; L480-L490 HydrophobicContact CB-CB 4.43Å; L480-L490 HydrophobicContact CD2-CB 4.36Å; L480-L490 HydrophobicContact CD2-CD1 4.22Å; L480-L490 HydrophobicContact CG-CB 4.36Å; L480-L490 HydrophobicContact CG-CD1 4.28Å; L480-L490 WeakPolarHBondContact O-CB 3.43Å; L480-L490 WeakPolarHBondContact O-CG 3.41Å; L480-L490 PolarHBondContact O-N 2.79Å; N482-L490 HydrophobicContact CB-CD2 4.34Å; N482-L490 HydrophobicContact CB-CG 4.47Å; F488-L490 HydrophobicContact CD1-CD2 3.75Å; F488-L490 HydrophobicContact CE1-CD2 3.66Å; F488-L490 PolarHBondContact O-N 3.15Å
491	F	97.5	Very high	95.5	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	16	179.6	-74.3	-9.7	0	0	0	113.3	F433 H437 F471 C474 L475 E478 L480 N489 I496 K501	F433-F491 HydrophobicContact CD1-CE1 4.06Å; F433-F491 AromaticContact CE1-CE1 3.82Å; F433-F491 HydrophobicContact CE1-CE1 3.82Å; F433-F491 HydrophobicContact CE1-CZ 4.21Å; H437-F491 HydrophobicContact CB-CE1 3.94Å; H437-F491 HydrophobicContact CB-CZ 4.21Å; H437-F491 AromaticContact CD2-CE1 3.59Å; H437-F491 AromaticContact CG-CE1 3.91Å; F471-F491 HydrophobicContact CE2-CE2 4.36Å; F471-F491 AromaticContact CE2-CZ 3.74Å; F471-F491 HydrophobicContact CE2-CZ 3.74Å; F471-F491 AromaticContact CZ-CZ 3.97Å; F471-F491 HydrophobicContact CZ-CZ 3.97Å; C474-F491 HydrophobicContact CB-CD2 4.05Å; C474-F491 HydrophobicContact CB-CE2 3.76Å; C474-F491 WeakPolarHBondContact O-CD2 3.24Å; L475-F491 HydrophobicContact CB-CE2 4.47Å; L475-F491 HydrophobicContact CD2-CD2 4.24Å; L475-F491 HydrophobicContact CD2-CE1 4.29Å; L475-F491 HydrophobicContact CD2-CE2 3.54Å; L475-F491 HydrophobicContact CD2-CZ 3.56Å; L475-F491 HydrophobicContact CG-CE2 3.8Å; L475-F491 HydrophobicContact CG-CZ 4.14Å; E478-F491 CarbonylContact O-C 3.58Å; L480-F491 HydrophobicContact CB-CB 4.22Å; L480-F491 HydrophobicContact CB-CD1 4.27Å; L480-F491 HydrophobicContact CB-CD2 3.52Å; L480-F491 HydrophobicContact CB-CE2 3.93Å; L480-F491 HydrophobicContact CB-CG 3.73Å; L480-F491 HydrophobicContact CB-CZ 4.47Å; L480-F491 HydrophobicContact CD2-CD1 4.21Å; L480-F491 HydrophobicContact CD2-CD2 4.26Å; L480-F491 HydrophobicContact CD2-CE1 3.85Å; L480-F491 HydrophobicContact CD2-CE2 3.89Å; L480-F491 HydrophobicContact CD2-CG 4.43Å; L480-F491 HydrophobicContact CD2-CZ 3.68Å; N489-F491 VanDerWaalsContact C-N 3.29Å; N489-F491 PolarHBondContact O-N 3.11Å; N489-F491 PolarHBondContact OD1-N 3.3Å; F491-I496 HydrophobicContact CD1-CD1 3.92Å; F491-I496 HydrophobicContact CE1-CD1 4.1Å; F491-K501 HydrophobicContact CB-CD 4.13Å; F491-K501 HydrophobicContact CG-CD 4.38Å; F491-K501 PolarHBondContact O-NZ 2.69Å
492	S	94.1	Very high	95.5	Very high	27 Å²	27	39.2 Å²	39.2	19%	0.189	24%	0.235	C	C	.	.			trans	-61.3	150	172.2	59.6	0	0	0	0	112.4	N489 N494 L495 I496	N489-S492 PolarHBondContact ND2-N 3.48Å; N489-S492 PolarHBondContact O-N 2.8Å; N489-S492 PolarHBondContact O-OG 2.94Å; N489-S492 VanDerWaalsContact O-OG 3.05Å; S492-N494 VanDerWaalsContact C-N 3.27Å; S492-N494 VanDerWaalsContact CB-OD1 3.25Å; S492-N494 WeakPolarHBondContact CB-OD1 3.34Å; S492-N494 PolarHBondContact O-N 3.22Å; S492-N494 PolarHBondContact OG-OD1 2.6Å; S492-L495 PolarHBondContact O-N 3.37Å; S492-I496 PolarHBondContact O-N 3.26Å
493	S	91.1	Very high	95.5	Very high	97 Å²	97	40.3 Å²	40.3	68%	0.678	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.7	-173.9	51.4	0	0	0	0	114.8	L495 I496	S493-L495 VanDerWaalsContact C-N 3.34Å; S493-I496 WeakPolarHBondContact CA-O 3.1Å
494	N	87.1	Confident	95.4	Very high	100 Å²	100	40 Å²	40	54%	0.535	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-24	176	63.8	-25.3	0	0	0	113.8	K365 S492	K365-N494 PolarHBondContact NZ-O 3.4Å; K365-N494 VanDerWaalsContact NZ-O 3.11Å; S492-N494 VanDerWaalsContact C-N 3.27Å; S492-N494 VanDerWaalsContact CB-OD1 3.25Å; S492-N494 WeakPolarHBondContact CB-OD1 3.34Å; S492-N494 PolarHBondContact O-N 3.22Å; S492-N494 PolarHBondContact OG-OD1 2.6Å
495	L	89.9	Confident	95.4	Very high	61 Å²	61	40.4 Å²	40.4	32%	0.319	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-53.7	177.1	-62.2	180	0	0	0	111.6	F488 S492 S493	F488-L495 HydrophobicContact CE1-CD1 4.23Å; F488-L495 HydrophobicContact CZ-CD1 3.82Å; S492-L495 PolarHBondContact O-N 3.37Å; S493-L495 VanDerWaalsContact C-N 3.34Å
496	I	93.8	Very high	95.4	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	26%	0.264	C	S	.	.	S	Bend	trans	-130.4	120.4	179.5	-46.1	-170.7	0	0	0	109.2	K432 F433 F491 S492 S493 K501	K432-I496 HydrophobicContact CB-CD1 4.38Å; K432-I496 HydrophobicContact CB-CG1 4.24Å; K432-I496 HydrophobicContact CB-CG2 4.32Å; K432-I496 HydrophobicContact CD-CG2 4.3Å; F433-I496 HydrophobicContact CD1-CD1 3.83Å; F433-I496 HydrophobicContact CE1-CD1 3.66Å; F433-I496 HydrophobicContact CE1-CG2 4.13Å; F433-I496 HydrophobicContact CE2-CG2 4.13Å; F433-I496 HydrophobicContact CG-CD1 4.49Å; F433-I496 HydrophobicContact CZ-CD1 4.21Å; F433-I496 HydrophobicContact CZ-CG2 3.66Å; F491-I496 HydrophobicContact CD1-CD1 3.92Å; F491-I496 HydrophobicContact CE1-CD1 4.1Å; S492-I496 PolarHBondContact O-N 3.26Å; S493-I496 WeakPolarHBondContact CA-O 3.1Å; I496-K501 HydrophobicContact CB-CD 4.33Å; I496-K501 HydrophobicContact CB-CG 4.39Å; I496-K501 HydrophobicContact CG2-CD 4.26Å; I496-K501 HydrophobicContact CG2-CG 3.79Å; I496-K501 WeakPolarHBondContact O-CE 3.46Å; I496-K501 PolarHBondContact O-NZ 3Å
497	D	93.8	Very high	95.5	Very high	41 Å²	41	44.8 Å²	44.8	22%	0.219	25%	0.254	C	S	.	.			trans	-67.3	159.3	178.1	67.4	92.1	0	0	0	112	K432 S499 S500 K501	K432-D497 IonicContact NZ-OD2 3.24Å; K432-D497 PolarHBondContact NZ-OD2 2.9Å; D497-S499 PolarHBondContact O-N 3Å; D497-S499 WeakPolarHBondContact OD1-CA 3.44Å; D497-S499 WeakPolarHBondContact OD1-CB 3.32Å; D497-S499 PolarHBondContact OD1-N 3.44Å; D497-S499 VanDerWaalsContact OD1-N 3.1Å; D497-S499 PolarHBondContact OD1-OG 3.4Å; D497-S500 VanDerWaalsContact CG-OG 3.26Å; D497-S500 PolarHBondContact O-N 2.84Å; D497-S500 PolarHBondContact OD1-N 3.37Å; D497-S500 PolarHBondContact OD1-OG 3.32Å; D497-S500 WeakPolarHBondContact OD2-CB 3.21Å; D497-S500 PolarHBondContact OD2-OG 2.95Å; D497-K501 WeakPolarHBondContact O-CE 3.29Å; D497-K501 PolarHBondContact O-N 3.46Å
498	K	95.8	Very high	95.6	Very high	115 Å²	115	41.5 Å²	41.5	50%	0.5	22%	0.219	S	C	.	.	H	α-helix	trans	-62.3	-42.8	-177.7	-167.2	173.8	-173.1	177.5	0	112.9	E478 S500 K501 E502	E478-K498 VanDerWaalsContact OE1-CD 3.3Å; E478-K498 WeakPolarHBondContact OE1-CD 3.48Å; E478-K498 VanDerWaalsContact OE1-CE 3.24Å; E478-K498 WeakPolarHBondContact OE1-CE 3.24Å; E478-K498 WeakPolarHBondContact OE1-CG 3.38Å; E478-K498 IonicContact OE1-NZ 2.65Å; K498-S500 VanDerWaalsContact C-N 3.28Å; K498-S500 PolarHBondContact O-N 3.02Å; K498-K501 PolarHBondContact O-N 3.35Å; K498-K501 VanDerWaalsContact O-N 3.08Å; K498-E502 WeakPolarHBondContact CE-OE1 3.5Å; K498-E502 HydrophobicContact CG-CG 4.27Å; K498-E502 WeakPolarHBondContact CG-OE1 3.32Å; K498-E502 WeakPolarHBondContact O-CG 3.45Å; K498-E502 PolarHBondContact O-N 2.88Å
499	S	95.4	Very high	95.7	Very high	60 Å²	60	42.9 Å²	42.9	42%	0.42	23%	0.225	S	C	.	.	H	α-helix	trans	-59.9	-37.9	-177.7	79.2	0	0	0	0	112.7	D497 F503	D497-S499 PolarHBondContact O-N 3Å; D497-S499 WeakPolarHBondContact OD1-CA 3.44Å; D497-S499 WeakPolarHBondContact OD1-CB 3.32Å; D497-S499 PolarHBondContact OD1-N 3.44Å; D497-S499 VanDerWaalsContact OD1-N 3.1Å; D497-S499 PolarHBondContact OD1-OG 3.4Å; S499-F503 VanDerWaalsContact O-CB 3.24Å; S499-F503 WeakPolarHBondContact O-CB 3.49Å; S499-F503 PolarHBondContact O-N 3.08Å
500	S	96.4	Very high	95.7	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.014	24%	0.237	C	C	.	.	H	α-helix	trans	-71.8	-33	178	-57.2	0	0	0	0	112.5	H429 F433 D497 K498 L504	H429-S500 PolarHBondContact ND1-OG 3.45Å; H429-S500 VanDerWaalsContact ND1-OG 3.15Å; F433-S500 WeakPolarHBondContact CE2-O 3.24Å; D497-S500 VanDerWaalsContact CG-OG 3.26Å; D497-S500 PolarHBondContact O-N 2.84Å; D497-S500 PolarHBondContact OD1-N 3.37Å; D497-S500 PolarHBondContact OD1-OG 3.32Å; D497-S500 WeakPolarHBondContact OD2-CB 3.21Å; D497-S500 PolarHBondContact OD2-OG 2.95Å; K498-S500 VanDerWaalsContact C-N 3.28Å; K498-S500 PolarHBondContact O-N 3.02Å; S500-L504 WeakPolarHBondContact O-CB 3.39Å; S500-L504 PolarHBondContact O-N 3.38Å; S500-L504 VanDerWaalsContact O-N 3.1Å
501	K	97.6	Very high	95.7	Very high	3 Å²	3	46.2 Å²	46.2	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-72.8	-41	173.5	-68	174.5	-59.6	-151.7	0	111.9	F433 L475 E478 F491 I496 D497 K498 S505	F433-K501 HydrophobicContact CE1-CG 4.29Å; F433-K501 HydrophobicContact CZ-CG 3.89Å; L475-K501 HydrophobicContact CD2-CB 4.14Å; L475-K501 HydrophobicContact CD2-CG 4.07Å; E478-K501 HydrophobicContact CG-CD 4.45Å; E478-K501 WeakPolarHBondContact OE2-CE 3.35Å; E478-K501 IonicContact OE2-NZ 3.43Å; E478-K501 PolarHBondContact OE2-NZ 2.84Å; F491-K501 HydrophobicContact CB-CD 4.13Å; F491-K501 HydrophobicContact CG-CD 4.38Å; F491-K501 PolarHBondContact O-NZ 2.69Å; I496-K501 HydrophobicContact CB-CD 4.33Å; I496-K501 HydrophobicContact CB-CG 4.39Å; I496-K501 HydrophobicContact CG2-CD 4.26Å; I496-K501 HydrophobicContact CG2-CG 3.79Å; I496-K501 WeakPolarHBondContact O-CE 3.46Å; I496-K501 PolarHBondContact O-NZ 3Å; D497-K501 WeakPolarHBondContact O-CE 3.29Å; D497-K501 PolarHBondContact O-N 3.46Å; K498-K501 PolarHBondContact O-N 3.35Å; K498-K501 VanDerWaalsContact O-N 3.08Å; K501-S505 WeakPolarHBondContact O-CB 3.36Å; K501-S505 PolarHBondContact O-N 2.86Å; K501-S505 PolarHBondContact O-OG 2.95Å
502	E	97.4	Very high	95.7	Very high	81 Å²	81	49.6 Å²	49.6	38%	0.379	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-43.5	172.2	-71.8	-179.5	-164.9	0	0	112.1	K498 S505 K506	K498-E502 WeakPolarHBondContact CE-OE1 3.5Å; K498-E502 HydrophobicContact CG-CG 4.27Å; K498-E502 WeakPolarHBondContact CG-OE1 3.32Å; K498-E502 WeakPolarHBondContact O-CG 3.45Å; K498-E502 PolarHBondContact O-N 2.88Å; E502-S505 PolarHBondContact O-N 3.45Å; E502-K506 WeakPolarHBondContact O-CB 3.29Å; E502-K506 WeakPolarHBondContact O-CG 3.37Å; E502-K506 PolarHBondContact O-N 3.48Å; E502-K506 IonicContact OE2-NZ 2.65Å
503	F	97.4	Very high	95.8	Very high	35 Å²	35	54.4 Å²	54.4	15%	0.154	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-50.6	177.2	179.5	-99.3	0	0	0	111.3	F424 K427 H429 L430 S499 S505 K506 Q507	F424-F503 HydrophobicContact CB-CE1 4.36Å; F424-F503 HydrophobicContact CB-CZ 4.38Å; F424-F503 HydrophobicContact CD1-CZ 4.21Å; F424-F503 HydrophobicContact CD2-CE1 4.26Å; F424-F503 HydrophobicContact CD2-CZ 4.11Å; F424-F503 HydrophobicContact CE2-CZ 4.46Å; F424-F503 HydrophobicContact CG-CE1 4.28Å; F424-F503 AromaticContact CG-CZ 3.96Å; F424-F503 HydrophobicContact CG-CZ 3.96Å; K427-F503 HydrophobicContact CD-CE2 4.16Å; K427-F503 HydrophobicContact CD-CZ 3.8Å; H429-F503 HydrophobicContact CB-CD1 3.93Å; H429-F503 HydrophobicContact CB-CG 4.37Å; L430-F503 HydrophobicContact CD1-CE1 4.1Å; L430-F503 HydrophobicContact CD2-CD1 3.74Å; L430-F503 HydrophobicContact CD2-CE1 4.01Å; L430-F503 HydrophobicContact CG-CD1 4.12Å; L430-F503 HydrophobicContact CG-CE1 3.92Å; S499-F503 VanDerWaalsContact O-CB 3.24Å; S499-F503 WeakPolarHBondContact O-CB 3.49Å; S499-F503 PolarHBondContact O-N 3.08Å; F503-S505 VanDerWaalsContact C-N 3.34Å; F503-S505 PolarHBondContact O-N 3.1Å; F503-K506 PolarHBondContact O-N 3.02Å; F503-Q507 HydrophobicContact CD1-CG 4.3Å; F503-Q507 HydrophobicContact CE1-CG 3.83Å; F503-Q507 HydrophobicContact CE2-CG 4.27Å; F503-Q507 HydrophobicContact CZ-CG 3.81Å; F503-Q507 WeakPolarHBondContact O-CG 3.42Å; F503-Q507 PolarHBondContact O-N 2.72Å; F503-Q507 PolarHBondContact O-NE2 3.13Å
504	L	97.8	Very high	96	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-39.1	177.8	-178.3	58	0	0	0	112	L417 L420 L430 F433 F471 L475 S500 Q507 I508	L417-L504 HydrophobicContact CD1-CD1 4.25Å; L417-L504 HydrophobicContact CD1-CD2 4.19Å; L420-L504 HydrophobicContact CD1-CD1 4.05Å; L430-L504 HydrophobicContact CD2-CB 3.85Å; L430-L504 HydrophobicContact CD2-CD1 3.89Å; L430-L504 HydrophobicContact CD2-CG 4.31Å; F433-L504 HydrophobicContact CB-CD2 4.36Å; F433-L504 HydrophobicContact CD1-CD2 3.6Å; F433-L504 HydrophobicContact CD2-CD2 3.76Å; F433-L504 HydrophobicContact CE1-CD2 3.69Å; F433-L504 HydrophobicContact CE2-CB 4.11Å; F433-L504 HydrophobicContact CE2-CD2 3.83Å; F433-L504 HydrophobicContact CG-CD2 3.63Å; F433-L504 HydrophobicContact CZ-CB 4.22Å; F433-L504 HydrophobicContact CZ-CD2 3.79Å; F471-L504 HydrophobicContact CE1-CD2 4.11Å; F471-L504 HydrophobicContact CZ-CD2 4.42Å; L475-L504 HydrophobicContact CD1-CB 4.49Å; L475-L504 HydrophobicContact CD1-CD2 4.17Å; L475-L504 HydrophobicContact CD1-CG 4.07Å; L475-L504 HydrophobicContact CD2-CD2 4.27Å; S500-L504 WeakPolarHBondContact O-CB 3.39Å; S500-L504 PolarHBondContact O-N 3.38Å; S500-L504 VanDerWaalsContact O-N 3.1Å; L504-Q507 PolarHBondContact O-N 3.27Å; L504-I508 HydrophobicContact CD1-CD1 3.75Å; L504-I508 HydrophobicContact CD1-CG1 3.96Å; L504-I508 HydrophobicContact CD2-CD1 4.44Å; L504-I508 HydrophobicContact CG-CD1 3.81Å; L504-I508 HydrophobicContact CG-CG1 4.37Å; L504-I508 WeakPolarHBondContact O-CG1 3.33Å; L504-I508 PolarHBondContact O-N 2.66Å
505	S	98.1	Very high	96.2	Very high	7 Å²	7	53.9 Å²	53.9	5%	0.049	26%	0.258	C	S	.	.	H	α-helix	trans	-58.9	-49.6	175.2	-57.3	0	0	0	0	111.2	L475 K501 E502 F503 Q507 I508 E509	L475-S505 VanDerWaalsContact CB-OG 3.29Å; L475-S505 WeakPolarHBondContact CB-OG 3.42Å; K501-S505 WeakPolarHBondContact O-CB 3.36Å; K501-S505 PolarHBondContact O-N 2.86Å; K501-S505 PolarHBondContact O-OG 2.95Å; E502-S505 PolarHBondContact O-N 3.45Å; F503-S505 VanDerWaalsContact C-N 3.34Å; F503-S505 PolarHBondContact O-N 3.1Å; S505-Q507 VanDerWaalsContact C-N 3.32Å; S505-Q507 PolarHBondContact O-N 3.19Å; S505-I508 PolarHBondContact O-N 2.75Å; S505-E509 WeakPolarHBondContact O-CB 3.47Å; S505-E509 VanDerWaalsContact O-CG 3.24Å; S505-E509 WeakPolarHBondContact O-CG 3.49Å; S505-E509 PolarHBondContact O-N 2.69Å
506	K	98	Very high	96.5	Very high	122 Å²	122	51.9 Å²	51.9	53%	0.53	25%	0.246	S	C	.	.	H	α-helix	trans	-60.9	-37	177.9	-72.1	166.6	-179.3	167.4	0	112.6	E502 F503 Y510	E502-K506 WeakPolarHBondContact O-CB 3.29Å; E502-K506 WeakPolarHBondContact O-CG 3.37Å; E502-K506 PolarHBondContact O-N 3.48Å; E502-K506 IonicContact OE2-NZ 2.65Å; F503-K506 PolarHBondContact O-N 3.02Å; K506-Y510 WeakPolarHBondContact O-CB 3.29Å; K506-Y510 PolarHBondContact O-N 2.86Å
507	Q	97.9	Very high	96.5	Very high	34 Å²	34	53.5 Å²	53.5	16%	0.159	26%	0.257	C	S	.	.	H	α-helix	trans	-70.5	-44.2	176	-58.7	-33.3	-75	0	0	111.7	L420 F424 F503 L504 S505 E509 Y510 E511	L420-Q507 HydrophobicContact CD1-CB 4.2Å; L420-Q507 HydrophobicContact CD2-CB 3.87Å; F424-Q507 HydrophobicContact CD2-CG 4.07Å; F424-Q507 HydrophobicContact CE2-CB 4.31Å; F424-Q507 HydrophobicContact CE2-CG 3.62Å; F424-Q507 VanDerWaalsContact CE2-OE1 3.26Å; F424-Q507 HydrophobicContact CZ-CG 4.32Å; F503-Q507 HydrophobicContact CD1-CG 4.3Å; F503-Q507 HydrophobicContact CE1-CG 3.83Å; F503-Q507 HydrophobicContact CE2-CG 4.27Å; F503-Q507 HydrophobicContact CZ-CG 3.81Å; F503-Q507 WeakPolarHBondContact O-CG 3.42Å; F503-Q507 PolarHBondContact O-N 2.72Å; F503-Q507 PolarHBondContact O-NE2 3.13Å; L504-Q507 PolarHBondContact O-N 3.27Å; S505-Q507 VanDerWaalsContact C-N 3.32Å; S505-Q507 PolarHBondContact O-N 3.19Å; Q507-E509 VanDerWaalsContact C-N 3.33Å; Q507-E509 PolarHBondContact O-N 3.49Å; Q507-Y510 PolarHBondContact O-N 2.89Å; Q507-E511 WeakPolarHBondContact O-CG 3.31Å; Q507-E511 PolarHBondContact O-N 3.43Å
508	I	98.2	Very high	96.5	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-36.3	178.5	-68.8	175.4	0	0	0	111.3	L416 L420 V468 F471 L472 L475 L504 S505 R512	L416-I508 HydrophobicContact CD2-CG1 4.44Å; L416-I508 HydrophobicContact CD2-CG2 4.39Å; L420-I508 HydrophobicContact CD1-CG1 3.68Å; V468-I508 HydrophobicContact CG1-CG2 3.64Å; F471-I508 HydrophobicContact CD1-CD1 3.77Å; F471-I508 HydrophobicContact CE1-CD1 3.74Å; L472-I508 HydrophobicContact CD1-CG2 4.08Å; L472-I508 HydrophobicContact CD2-CB 3.96Å; L472-I508 HydrophobicContact CD2-CG2 3.79Å; L472-I508 HydrophobicContact CG-CG2 3.86Å; L475-I508 HydrophobicContact CD1-CD1 4.32Å; L504-I508 HydrophobicContact CD1-CD1 3.75Å; L504-I508 HydrophobicContact CD1-CG1 3.96Å; L504-I508 HydrophobicContact CD2-CD1 4.44Å; L504-I508 HydrophobicContact CG-CD1 3.81Å; L504-I508 HydrophobicContact CG-CG1 4.37Å; L504-I508 WeakPolarHBondContact O-CG1 3.33Å; L504-I508 PolarHBondContact O-N 2.66Å; S505-I508 PolarHBondContact O-N 2.75Å; I508-R512 WeakPolarHBondContact O-CB 3.17Å; I508-R512 PolarHBondContact O-N 3.43Å
509	E	98.2	Very high	96.4	Very high	53 Å²	53	46.4 Å²	46.4	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-44.1	172.9	-74	163.3	-171.8	0	0	111.8	L472 R476 S505 Q507 N513	L472-E509 HydrophobicContact CD1-CG 3.93Å; L472-E509 HydrophobicContact CD2-CG 3.89Å; R476-E509 IonicContact CZ-OE1 2.68Å; R476-E509 VanDerWaalsContact CZ-OE1 3.24Å; R476-E509 IonicContact NE-OE1 3.86Å; R476-E509 PolarHBondContact NE-OE1 2.83Å; R476-E509 IonicContact NH2-OE1 2.98Å; R476-E509 PolarHBondContact NH2-OE1 3.36Å; S505-E509 WeakPolarHBondContact O-CB 3.47Å; S505-E509 VanDerWaalsContact O-CG 3.24Å; S505-E509 WeakPolarHBondContact O-CG 3.49Å; S505-E509 PolarHBondContact O-N 2.69Å; Q507-E509 VanDerWaalsContact C-N 3.33Å; Q507-E509 PolarHBondContact O-N 3.49Å; E509-N513 VanDerWaalsContact O-CB 3.32Å; E509-N513 WeakPolarHBondContact O-CB 3.37Å; E509-N513 PolarHBondContact O-N 3.48Å; E509-N513 PolarHBondContact O-ND2 2.82Å; E509-N513 PolarHBondContact O-OD1 2.78Å
510	Y	98	Very high	95.9	Very high	123 Å²	123	46.4 Å²	46.4	48%	0.482	23%	0.233	S	C	.	.	H	α-helix	trans	-60.2	-50.8	173.5	174.3	-95	0	0	0	111.7	K506 Q507 R512 N513 N514 P517	K506-Y510 WeakPolarHBondContact O-CB 3.29Å; K506-Y510 PolarHBondContact O-N 2.86Å; Q507-Y510 PolarHBondContact O-N 2.89Å; Y510-R512 PolarHBondContact O-N 3.22Å; Y510-N513 PolarHBondContact O-N 2.92Å; Y510-N514 WeakPolarHBondContact CE2-ND2 3.49Å; Y510-N514 PolarHBondContact O-N 3.36Å; Y510-N514 PolarHBondContact O-ND2 3.34Å; Y510-P517 HydrophobicContact CE1-CG 4.27Å
511	E	97.1	Very high	95	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-48.2	179.3	-68.1	-68	148.9	0	0	110.5	L416 L420 K423 Q507 N513 N514 E515 F516 P517 V518	L416-E511 HydrophobicContact CD1-CB 4.23Å; L416-E511 HydrophobicContact CD1-CG 4.31Å; L420-E511 HydrophobicContact CD2-CG 3.95Å; K423-E511 IonicContact NZ-OE1 2.69Å; K423-E511 PolarHBondContact NZ-OE1 3.4Å; Q507-E511 WeakPolarHBondContact O-CG 3.31Å; Q507-E511 PolarHBondContact O-N 3.43Å; E511-N513 PolarHBondContact O-N 2.9Å; E511-N514 CarbonylContact O-C 3.52Å; E511-N514 PolarHBondContact O-N 3.45Å; E511-N514 VanDerWaalsContact O-N 3.15Å; E511-E515 PolarHBondContact O-N 2.69Å; E511-F516 HydrophobicContact CB-CD1 3.94Å; E511-F516 WeakPolarHBondContact O-CA 3.2Å; E511-F516 PolarHBondContact O-N 3.01Å; E511-P517 WeakPolarHBondContact OE2-CD 3.3Å; E511-P517 WeakPolarHBondContact OE2-CG 3.46Å; E511-V518 HydrophobicContact CG-CG1 4.32Å; E511-V518 VanDerWaalsContact OE2-CB 3.31Å; E511-V518 WeakPolarHBondContact OE2-CB 3.21Å; E511-V518 VanDerWaalsContact OE2-CG1 3.31Å; E511-V518 WeakPolarHBondContact OE2-CG1 3.35Å; E511-V518 PolarHBondContact OE2-N 3.11Å
512	R	96.4	Very high	93.1	Very high	71 Å²	71	56.9 Å²	56.9	27%	0.268	28%	0.281	S	S	.	.	H	α-helix	trans	-55.6	-47.8	177.6	-175.5	-171.9	-172.2	-180	0.6	112.5	D465 V468 T469 I508 Y510 N514 E515 F516	D465-R512 IonicContact OD1-CZ 3.59Å; D465-R512 IonicContact OD1-NE 3.97Å; D465-R512 PolarHBondContact OD1-NE 2.64Å; D465-R512 IonicContact OD1-NH2 2.87Å; D465-R512 PolarHBondContact OD1-NH2 3.1Å; D465-R512 IonicContact OD2-CZ 2.67Å; D465-R512 IonicContact OD2-NE 2.9Å; D465-R512 IonicContact OD2-NH2 3.24Å; D465-R512 PolarHBondContact OD2-NH2 3.32Å; V468-R512 HydrophobicContact CG1-CB 4.44Å; V468-R512 HydrophobicContact CG1-CG 4.37Å; T469-R512 VanDerWaalsContact OG1-CZ 3.27Å; T469-R512 PolarHBondContact OG1-NH1 2.94Å; T469-R512 PolarHBondContact OG1-NH2 2.95Å; I508-R512 WeakPolarHBondContact O-CB 3.17Å; I508-R512 PolarHBondContact O-N 3.43Å; Y510-R512 PolarHBondContact O-N 3.22Å; R512-N514 PolarHBondContact O-N 3.28Å; R512-E515 PolarHBondContact O-N 2.96Å; R512-F516 HydrophobicContact CB-CE1 4.15Å; R512-F516 HydrophobicContact CB-CZ 3.98Å; R512-F516 HydrophobicContact CG-CZ 4.11Å
513	N	96.1	Very high	92.9	Very high	128 Å²	128	55.7 Å²	55.7	68%	0.684	28%	0.276	S	S	*	.	H	α-helix	trans	-70.2	-15.3	-176.8	-67.6	-7.1	0	0	0	113.6	E509 Y510 E511	E509-N513 VanDerWaalsContact O-CB 3.32Å; E509-N513 WeakPolarHBondContact O-CB 3.37Å; E509-N513 PolarHBondContact O-N 3.48Å; E509-N513 PolarHBondContact O-ND2 2.82Å; E509-N513 PolarHBondContact O-OD1 2.78Å; Y510-N513 PolarHBondContact O-N 2.92Å; E511-N513 PolarHBondContact O-N 2.9Å
514	N	94.8	Very high	92.7	Very high	80 Å²	80	56.8 Å²	56.8	43%	0.428	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	20.9	179.7	-65.5	-89.6	0	0	0	112.6	Y510 E511 R512 F516 P517	Y510-N514 WeakPolarHBondContact CE2-ND2 3.49Å; Y510-N514 PolarHBondContact O-N 3.36Å; Y510-N514 PolarHBondContact O-ND2 3.34Å; E511-N514 CarbonylContact O-C 3.52Å; E511-N514 PolarHBondContact O-N 3.45Å; E511-N514 VanDerWaalsContact O-N 3.15Å; R512-N514 PolarHBondContact O-N 3.28Å; N514-F516 VanDerWaalsContact C-N 3.35Å; N514-F516 PolarHBondContact O-N 3.01Å; N514-P517 HydrophobicContact CB-CG 4.26Å; N514-P517 WeakPolarHBondContact O-CD 3.46Å
515	E	92.4	Very high	92.4	Very high	107 Å²	107	59.9 Å²	59.9	50%	0.5	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	34.1	-176.6	-53.7	-165.6	150.1	0	0	115.7	K164 E511 R512	K164-E515 WeakPolarHBondContact CE-O 3.32Å; K164-E515 PolarHBondContact NZ-O 3.39Å; K164-E515 IonicContact NZ-OE2 3.27Å; E511-E515 PolarHBondContact O-N 2.69Å; R512-E515 PolarHBondContact O-N 2.96Å
516	F	95.3	Very high	92.1	Very high	19 Å²	19	63.1 Å²	63.1	8%	0.083	31%	0.312	C	S	.	.			trans	59	64.1	177	-49.3	-87.1	0	0	0	113.5	L416 F464 V468 E511 R512 N514 V518 F519	L416-F516 HydrophobicContact CD1-CD1 3.96Å; L416-F516 HydrophobicContact CD2-CD1 4.12Å; L416-F516 HydrophobicContact CD2-CE1 3.87Å; F464-F516 HydrophobicContact CD1-CE2 4.27Å; F464-F516 HydrophobicContact CD1-CZ 4.33Å; F464-F516 HydrophobicContact CE1-CD1 4.3Å; F464-F516 HydrophobicContact CE1-CD2 4.05Å; F464-F516 AromaticContact CE1-CE1 3.88Å; F464-F516 HydrophobicContact CE1-CE1 3.88Å; F464-F516 AromaticContact CE1-CE2 3.62Å; F464-F516 HydrophobicContact CE1-CE2 3.62Å; F464-F516 HydrophobicContact CE1-CG 4.38Å; F464-F516 AromaticContact CE1-CZ 3.52Å; F464-F516 HydrophobicContact CE1-CZ 3.52Å; F464-F516 HydrophobicContact CZ-CD1 4.46Å; F464-F516 HydrophobicContact CZ-CE1 4.06Å; F464-F516 HydrophobicContact CZ-CZ 4.13Å; V468-F516 HydrophobicContact CG2-CE1 4.21Å; V468-F516 HydrophobicContact CG2-CZ 4.11Å; E511-F516 HydrophobicContact CB-CD1 3.94Å; E511-F516 WeakPolarHBondContact O-CA 3.2Å; E511-F516 PolarHBondContact O-N 3.01Å; R512-F516 HydrophobicContact CB-CE1 4.15Å; R512-F516 HydrophobicContact CB-CZ 3.98Å; R512-F516 HydrophobicContact CG-CZ 4.11Å; N514-F516 VanDerWaalsContact C-N 3.35Å; N514-F516 PolarHBondContact O-N 3.01Å; F516-V518 PolarHBondContact O-N 3.45Å; F516-F519 HydrophobicContact CB-CD2 3.48Å; F516-F519 VanDerWaalsContact CB-CD2 3.48Å; F516-F519 HydrophobicContact CB-CE2 3.65Å; F516-F519 HydrophobicContact CB-CG 4.06Å; F516-F519 HydrophobicContact CB-CZ 4.35Å; F516-F519 HydrophobicContact CD1-CE2 4.31Å; F516-F519 HydrophobicContact CD1-CZ 4.49Å; F516-F519 HydrophobicContact CD2-CE2 4.4Å; F516-F519 HydrophobicContact CG-CD2 4.21Å; F516-F519 AromaticContact CG-CE2 3.87Å; F516-F519 HydrophobicContact CG-CE2 3.87Å; F516-F519 HydrophobicContact CG-CZ 4.48Å; F516-F519 PolarHBondContact O-N 2.85Å
517	P	94.4	Very high	91.7	Very high	37 Å²	37	59.4 Å²	59.4	24%	0.24	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-54.8	-32.1	176.5	23	-33.9	0	0	0	113.3	Y510 E511 N514 F519 G520 E521	Y510-P517 HydrophobicContact CE1-CG 4.27Å; E511-P517 WeakPolarHBondContact OE2-CD 3.3Å; E511-P517 WeakPolarHBondContact OE2-CG 3.46Å; N514-P517 HydrophobicContact CB-CG 4.26Å; N514-P517 WeakPolarHBondContact O-CD 3.46Å; P517-F519 PolarHBondContact O-N 3.17Å; P517-G520 PolarHBondContact O-N 3.27Å; P517-E521 PolarHBondContact O-N 2.87Å
518	V	94	Very high	91.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-63.7	-13.5	-179.9	81.9	0	0	0	0	114.6	L416 Q419 K423 E511 F516 G520 E521 F522	L416-V518 HydrophobicContact CD1-CG1 4.01Å; Q419-V518 HydrophobicContact CB-CB 4.39Å; Q419-V518 HydrophobicContact CB-CG1 3.85Å; Q419-V518 HydrophobicContact CB-CG2 3.69Å; Q419-V518 PolarHBondContact NE2-O 2.88Å; K423-V518 HydrophobicContact CB-CG2 4.44Å; K423-V518 HydrophobicContact CD-CB 4.48Å; K423-V518 HydrophobicContact CD-CG2 3.79Å; E511-V518 HydrophobicContact CG-CG1 4.32Å; E511-V518 VanDerWaalsContact OE2-CB 3.31Å; E511-V518 WeakPolarHBondContact OE2-CB 3.21Å; E511-V518 VanDerWaalsContact OE2-CG1 3.31Å; E511-V518 WeakPolarHBondContact OE2-CG1 3.35Å; E511-V518 PolarHBondContact OE2-N 3.11Å; F516-V518 PolarHBondContact O-N 3.45Å; V518-G520 VanDerWaalsContact C-N 3.26Å; V518-G520 PolarHBondContact O-N 3.24Å; V518-E521 WeakPolarHBondContact CG2-OE2 3.43Å; V518-F522 HydrophobicContact CG2-CD2 4.45Å; V518-F522 HydrophobicContact CG2-CE2 4.08Å
519	F	93.6	Very high	90.8	Very high	7 Å²	7	65.1 Å²	65.1	3%	0.031	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-77.5	-8.1	170.4	-65.5	-19.8	0	0	0	114	L165 V168 L412 Y415 L416 F464 F516 P517	L165-F519 HydrophobicContact CD2-CD2 4.16Å; L165-F519 HydrophobicContact CD2-CE2 3.73Å; V168-F519 HydrophobicContact CG1-CD2 4.45Å; V168-F519 HydrophobicContact CG1-CG 4.3Å; V168-F519 HydrophobicContact CG2-CB 3.73Å; V168-F519 HydrophobicContact CG2-CD2 4.1Å; V168-F519 HydrophobicContact CG2-CG 4.13Å; L412-F519 HydrophobicContact CD2-CE2 4.29Å; L412-F519 HydrophobicContact CD2-CZ 4.41Å; Y415-F519 AromaticContact CD1-CD1 3.43Å; Y415-F519 HydrophobicContact CD1-CD1 3.43Å; Y415-F519 VanDerWaalsContact CD1-CD1 3.43Å; Y415-F519 AromaticContact CD1-CE1 3.49Å; Y415-F519 HydrophobicContact CD1-CE1 3.49Å; Y415-F519 VanDerWaalsContact CD1-CE1 3.49Å; Y415-F519 HydrophobicContact CD1-CG 4.34Å; Y415-F519 HydrophobicContact CD1-CZ 4.43Å; Y415-F519 HydrophobicContact CE1-CB 4.41Å; Y415-F519 AromaticContact CE1-CD1 3.51Å; Y415-F519 HydrophobicContact CE1-CD1 3.51Å; Y415-F519 HydrophobicContact CE1-CE1 4.08Å; Y415-F519 HydrophobicContact CE1-CG 4.21Å; Y415-F519 HydrophobicContact CG-CE1 4.33Å; L416-F519 HydrophobicContact CB-CE1 3.98Å; L416-F519 HydrophobicContact CB-CZ 4.05Å; L416-F519 HydrophobicContact CD1-CE1 4.29Å; L416-F519 HydrophobicContact CD1-CZ 4.47Å; F464-F519 HydrophobicContact CE1-CE2 4.08Å; F464-F519 HydrophobicContact CE1-CZ 4.35Å; F464-F519 HydrophobicContact CZ-CE2 4.11Å; F464-F519 AromaticContact CZ-CZ 3.91Å; F464-F519 HydrophobicContact CZ-CZ 3.91Å; F516-F519 HydrophobicContact CB-CD2 3.48Å; F516-F519 VanDerWaalsContact CB-CD2 3.48Å; F516-F519 HydrophobicContact CB-CE2 3.65Å; F516-F519 HydrophobicContact CB-CG 4.06Å; F516-F519 HydrophobicContact CB-CZ 4.35Å; F516-F519 HydrophobicContact CD1-CE2 4.31Å; F516-F519 HydrophobicContact CD1-CZ 4.49Å; F516-F519 HydrophobicContact CD2-CE2 4.4Å; F516-F519 HydrophobicContact CG-CD2 4.21Å; F516-F519 AromaticContact CG-CE2 3.87Å; F516-F519 HydrophobicContact CG-CE2 3.87Å; F516-F519 HydrophobicContact CG-CZ 4.48Å; F516-F519 PolarHBondContact O-N 2.85Å; P517-F519 PolarHBondContact O-N 3.17Å
520	G	83.9	Confident	90.2	Very high	59 Å²	59	66 Å²	66	61%	0.608	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-8.7	174.8	0	0	0	0	0	114.8	P517 V518 F522	P517-G520 PolarHBondContact O-N 3.27Å; V518-G520 VanDerWaalsContact C-N 3.26Å; V518-G520 PolarHBondContact O-N 3.24Å; G520-F522 VanDerWaalsContact C-N 3.3Å; G520-F522 PolarHBondContact O-N 2.68Å
521	E	77.6	Confident	89.6	Confident	92 Å²	92	61.3 Å²	61.3	43%	0.43	32%	0.322	S	S	.	.			trans	-77.5	-12.4	-177.6	-73.2	169.7	-166.9	0	0	113.8	K423 P517 V518	K423-E521 WeakPolarHBondContact CD-OE2 3.38Å; K423-E521 WeakPolarHBondContact CE-OE2 3.24Å; K423-E521 IonicContact NZ-OE1 3.55Å; K423-E521 PolarHBondContact NZ-OE1 3.42Å; K423-E521 IonicContact NZ-OE2 2.64Å; K423-E521 PolarHBondContact NZ-OE2 2.84Å; P517-E521 PolarHBondContact O-N 2.87Å; V518-E521 WeakPolarHBondContact CG2-OE2 3.43Å
522	F	59.3	Low	88.9	Confident	134 Å²	134	66.7 Å²	66.7	59%	0.588	35%	0.351	S	S	*	.			trans	-144	0	-176.2	-50.9	-103.6	0	0	0	111.7	K171 E422 V518 G520	K171-F522 PolarHBondContact NZ-O 2.98Å; E422-F522 HydrophobicContact CG-CE1 3.89Å; E422-F522 HydrophobicContact CG-CZ 4.24Å; V518-F522 HydrophobicContact CG2-CD2 4.45Å; V518-F522 HydrophobicContact CG2-CE2 4.08Å; G520-F522 VanDerWaalsContact C-N 3.3Å; G520-F522 PolarHBondContact O-N 2.68Å

Retrieved 522 of 522 residues in 359.7 ms (Link to these results)

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