A0A087Y785_POEFO Loading...

COP1 E3 ubiquitin ligase

AlphaFold DB (A0A3B3UXC9), UniProt , Accession A0A087Y785, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 698 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	37.4	Very low	35	Very low	254 Å²	254	138.6 Å²	138.6	100%	1.251	85%	0.851	S	S	*	*				0	157.4	0	-77.3	172.2	163	0	0	108.7
2	S	33.4	Very low	34.5	Very low	127 Å²	127	134.4 Å²	134.4	89%	0.888	86%	0.856	S	S	*	*			trans	-101.1	159	-170.7	40.3	0	0	0	0	113.1
3	G	30.4	Very low	33.9	Very low	74 Å²	74	130.5 Å²	130.5	76%	0.763	86%	0.856	S	S	*	*			trans	170.8	119.2	172.4	0	0	0	0	0	111
4	S	36.2	Very low	33.6	Very low	111 Å²	111	128.1 Å²	128.1	78%	0.776	85%	0.852	S	S	*	*			trans	-147.1	130.3	-162.2	-52.6	0	0	0	0	114.2
5	R	34.1	Very low	33.4	Very low	215 Å²	215	126.9 Å²	126.9	81%	0.811	85%	0.847	S	S	*	*			trans	61.4	-177.7	157.5	-104.4	-169.5	148.9	175.3	-8.4	115.4
6	P	52.1	Low	33.1	Very low	114 Å²	114	125.6 Å²	125.6	74%	0.74	84%	0.84	S	S	*	*			cis	-125.3	-179.6	-8	36	-17.8	0	0	0	115.9
7	Q	36.8	Very low	33.3	Very low	150 Å²	150	126.5 Å²	126.5	70%	0.701	84%	0.841	S	S	*	*			trans	-74	163.3	163.3	-53.7	145.1	-88.2	0	0	111.3
8	Q	32.9	Very low	33.9	Very low	199 Å²	199	126.2 Å²	126.2	93%	0.93	84%	0.838	S	S	*	*			trans	-150.5	175	141.9	-122.2	179	21.7	0	0	112.2
9	S	34.1	Very low	33.6	Very low	120 Å²	120	122.8 Å²	122.8	84%	0.839	83%	0.828	S	S	*	*			trans	-155.3	148.2	-151	55	0	0	0	0	114.4
10	G	29.5	Very low	33.6	Very low	81 Å²	81	123.7 Å²	123.7	84%	0.835	83%	0.829	S	S	*	*			trans	164.9	150.8	163.2	0	0	0	0	0	112.1
11	G	28.5	Very low	33.4	Very low	80 Å²	80	123 Å²	123	83%	0.825	83%	0.826	S	S	*	*			cis	147.2	94.5	-10.5	0	0	0	0	0	114.3
12	G	28.4	Very low	33.1	Very low	88 Å²	88	116.8 Å²	116.8	91%	0.907	80%	0.803	S	S	*	*			trans	64.2	125.2	156.1	0	0	0	0	0	119.2
13	G	27.2	Very low	32.9	Very low	84 Å²	84	116.4 Å²	116.4	87%	0.866	80%	0.8	S	S	*	*			trans	179.9	125.1	167.8	0	0	0	0	0	111.6
14	A	29.8	Very low	32.9	Very low	97 Å²	97	117.7 Å²	117.7	80%	0.802	80%	0.797	S	S	*	*			trans	-123.4	172.3	-178.2	0	0	0	0	0	111.5
15	S	29.4	Very low	32.6	Very low	110 Å²	110	117.8 Å²	117.8	77%	0.769	80%	0.798	S	S	*	*			trans	117.3	148.8	146.4	77.6	0	0	0	0	119.5
16	S	29	Very low	32.4	Very low	105 Å²	105	113.2 Å²	113.2	73%	0.734	80%	0.799	S	S	*	*			trans	65.2	125.1	152	53.2	0	0	0	0	122.7
17	V	37.1	Very low	31.4	Very low	142 Å²	142	112.9 Å²	112.9	86%	0.861	80%	0.799	S	S	*	*			trans	-90.5	134	156.1	176.3	0	0	0	0	108.3
18	P	43.3	Very low	31.1	Very low	121 Å²	121	111.6 Å²	111.6	79%	0.786	81%	0.807	S	S	*	*				-135.9	178.3	119.3	13.5	9.4	0	0	0	111.4
19	G	28.7	Very low	31.1	Very low	62 Å²	62	108 Å²	108	64%	0.639	80%	0.804	S	S	*	*			cis	149	102.4	-3.8	0	0	0	0	0	113
20	T	33	Very low	30.9	Very low	139 Å²	139	108.2 Å²	108.2	85%	0.853	81%	0.805	S	S	*	*			trans	23.9	127	156.6	54.5	0	0	0	0	122.4
21	S	29.7	Very low	31	Very low	110 Å²	110	109.5 Å²	109.5	77%	0.769	80%	0.801	S	S	*	*			trans	-173.4	154.1	141.1	27.9	0	0	0	0	109.7
22	T	30.7	Very low	31	Very low	124 Å²	124	111 Å²	111	76%	0.761	80%	0.799	S	S	*	*			cis	163.7	114.9	-37.2	30.9	0	0	0	0	106.4
23	S	28.9	Very low	31	Very low	119 Å²	119	113.4 Å²	113.4	83%	0.832	80%	0.796	S	S	*	*			trans	174.9	154.4	158.2	34.8	0	0	0	0	110
24	S	30.9	Very low	31.1	Very low	100 Å²	100	113.6 Å²	113.6	70%	0.699	80%	0.798	S	S	*	*			cis	-172.3	142.8	-31.6	48.4	0	0	0	0	108.6
25	S	30.3	Very low	31	Very low	113 Å²	113	112.8 Å²	112.8	79%	0.79	80%	0.8	S	S	*	*			trans	57.5	136.9	165.7	64.7	0	0	0	0	117.4
26	S	30.4	Very low	31.1	Very low	119 Å²	119	114 Å²	114	83%	0.832	81%	0.808	S	S	*	*				-168.6	172.8	51.1	45	0	0	0	0	111.9
27	S	30.1	Very low	31.1	Very low	108 Å²	108	113 Å²	113	76%	0.755	81%	0.814	S	S	*	*			trans	-84.6	151.9	-178.1	48.5	0	0	0	0	113.6
28	S	30.3	Very low	30.7	Very low	123 Å²	123	111 Å²	111	86%	0.86	81%	0.807	S	S	*	*				-176.1	136.9	110.9	38.2	0	0	0	0	112.5
29	S	33.6	Very low	30.1	Very low	123 Å²	123	112.5 Å²	112.5	86%	0.86	81%	0.808	S	S	*	*			trans	-100.4	147.5	160.2	50.3	0	0	0	0	109
30	S	29.9	Very low	30.1	Very low	125 Å²	125	113.8 Å²	113.8	87%	0.874	81%	0.812	S	S	*	*			trans	-148.3	149.2	162	62.6	0	0	0	0	111
31	S	31.9	Very low	30	Very low	107 Å²	107	113.4 Å²	113.4	75%	0.748	81%	0.81	S	S	*	*			trans	-141.2	132.4	-170.3	56.7	0	0	0	0	110.2
32	S	28.9	Very low	29.9	Very low	111 Å²	111	115.2 Å²	115.2	78%	0.776	82%	0.816	S	S	*	*			trans	-157.1	111.7	169	-39.9	0	0	0	0	107.8
33	T	29	Very low	29.9	Very low	139 Å²	139	114 Å²	114	85%	0.853	81%	0.813	S	S	*	*				76.2	119.2	61.5	64.2	0	0	0	0	115.7
34	G	27.8	Very low	29.9	Very low	88 Å²	88	116.7 Å²	116.7	91%	0.907	82%	0.818	S	S	*	*			trans	100.7	133	152.8	0	0	0	0	0	116.4
35	G	27.8	Very low	29.8	Very low	81 Å²	81	115.3 Å²	115.3	84%	0.835	82%	0.82	S	S	*	*			trans	160.5	52.1	176.2	0	0	0	0	0	115.7
36	S	31	Very low	31.3	Very low	135 Å²	135	116.5 Å²	116.5	94%	0.944	83%	0.825	S	S	*	*			trans	-71.1	138.9	176.8	-53.2	0	0	0	0	112
37	G	29.1	Very low	31.1	Very low	84 Å²	84	115.9 Å²	115.9	87%	0.866	83%	0.827	S	S	*	*			trans	-161.3	108.3	175.1	0	0	0	0	0	112.9
38	S	30.6	Very low	31.2	Very low	101 Å²	101	115.9 Å²	115.9	71%	0.706	83%	0.833	S	S	*	*			trans	-114.6	143.4	-178.1	54.9	0	0	0	0	111.8
39	N	29.8	Very low	31	Very low	152 Å²	152	113.6 Å²	113.6	81%	0.813	83%	0.829	S	S	*	*				172	158.5	125.4	-88	-15.9	0	0	0	114.1
40	A	28.5	Very low	30.8	Very low	88 Å²	88	115.5 Å²	115.5	73%	0.727	83%	0.83	S	S	*	*			trans	45.2	118.4	151.8	0	0	0	0	0	118.8
41	V	30.8	Very low	30.7	Very low	131 Å²	131	115.9 Å²	115.9	79%	0.794	83%	0.827	S	S	*	*			cis	55.4	97.2	49.1	-169	0	0	0	0	113.4
42	T	28.5	Very low	30.7	Very low	148 Å²	148	116.6 Å²	116.6	91%	0.908	83%	0.826	S	S	*	*			trans	-132.8	138.8	135.2	39.9	0	0	0	0	108.9
43	S	31	Very low	30.9	Very low	100 Å²	100	117 Å²	117	70%	0.699	83%	0.826	S	S	*	*			trans	-124.6	143.3	169.3	51	0	0	0	0	108
44	N	28.3	Very low	30.8	Very low	175 Å²	175	115.1 Å²	115.1	94%	0.936	82%	0.819	S	S	*	*			trans	-165.2	147.3	151.9	-101.9	-32.9	0	0	0	109.5
45	G	28.3	Very low	30.8	Very low	71 Å²	71	122.3 Å²	122.3	73%	0.732	82%	0.818	S	S	*	*			trans	-106.8	-128.5	-175.5	0	0	0	0	0	113.2
46	P	61.4	Low	30.8	Very low	137 Å²	137	124.1 Å²	124.1	89%	0.89	81%	0.814	S	S	*	*				-124.4	160.9	-119	37.3	-23.8	0	0	0	114.7
47	A	27.6	Very low	30.6	Very low	106 Å²	106	125.7 Å²	125.7	88%	0.876	81%	0.811	S	S	*	*			trans	-146.3	150.3	165.2	0	0	0	0	0	110.7
48	A	30.3	Very low	30.4	Very low	108 Å²	108	126.1 Å²	126.1	89%	0.893	81%	0.806	S	S	*	*			trans	-107.7	159.8	176.3	0	0	0	0	0	111.1
49	G	27	Very low	30.2	Very low	75 Å²	75	125.8 Å²	125.8	77%	0.773	81%	0.809	S	S	*	*			trans	-170.8	123.6	174.6	0	0	0	0	0	112.5
50	N	28.8	Very low	30	Very low	164 Å²	164	125.3 Å²	125.3	88%	0.877	81%	0.812	S	S	*	*			trans	-74	161.2	170.9	-64.8	-41.2	0	0	0	110.9
51	V	28.2	Very low	29.9	Very low	133 Å²	133	128.7 Å²	128.7	81%	0.806	82%	0.818	S	S	*	*				178.4	139.3	117.8	147.3	0	0	0	0	110.8
52	V	31.6	Very low	29.7	Very low	121 Å²	121	132.1 Å²	132.1	73%	0.733	83%	0.825	S	S	*	*			trans	-101.8	144.2	170.7	175.7	0	0	0	0	109
53	P	33.7	Very low	29.6	Very low	119 Å²	119	130.1 Å²	130.1	77%	0.773	82%	0.824	S	S	*	*			trans	-133.9	127.7	143.8	34.1	-21.3	0	0	0	113.6
54	S	27.3	Very low	29.3	Very low	101 Å²	101	129.2 Å²	129.2	71%	0.706	83%	0.83	S	S	*	*			trans	-97.1	137	168.8	-53	0	0	0	0	111.4
55	R	27	Very low	29.2	Very low	238 Å²	238	126 Å²	126	90%	0.898	82%	0.821	S	S	*	*			trans	-146.5	126.9	159	-63.8	-173.4	179.1	-173.8	-0.9	105.9
56	T	27.4	Very low	29.1	Very low	120 Å²	120	133 Å²	133	74%	0.736	83%	0.832	S	S	*	*			cis	80.6	134	21.1	-35.9	0	0	0	0	114.1
57	L	27.2	Very low	27.5	Very low	168 Å²	168	130.4 Å²	130.4	88%	0.88	82%	0.822	S	S	*	*			trans	78.4	137.4	-175.6	-55.6	176.4	0	0	0	115.1
58	A	25.3	Very low	27.4	Very low	93 Å²	93	130.1 Å²	130.1	77%	0.769	81%	0.814	S	S	*	*			cis	-154.1	163.2	-11.3	0	0	0	0	0	111.2
59	A	26.4	Very low	27.2	Very low	94 Å²	94	132.6 Å²	132.6	78%	0.777	81%	0.811	S	S	*	*			trans	-96.9	153.7	169.1	0	0	0	0	0	111
60	T	25.5	Very low	27.2	Very low	141 Å²	141	135 Å²	135	87%	0.865	81%	0.811	S	S	*	*			trans	-132.8	121.7	164.3	41.7	0	0	0	0	109.2
61	N	27.4	Very low	27.1	Very low	159 Å²	159	133 Å²	133	85%	0.85	81%	0.81	S	S	*	*			trans	-92.1	145.3	163.3	-73.3	-19.6	0	0	0	107.9
62	E	24.9	Very low	27.1	Very low	203 Å²	203	137.9 Å²	137.9	95%	0.949	81%	0.814	S	S	*	*			trans	-131.9	156.7	139.4	-78.3	-147.9	130.8	0	0	109
63	A	27.1	Very low	27.1	Very low	107 Å²	107	138.2 Å²	138.2	88%	0.884	82%	0.819	S	S	*	*			trans	-130	146.7	-171.8	0	0	0	0	0	111
64	G	25.6	Very low	26.8	Very low	80 Å²	80	138.6 Å²	138.6	83%	0.825	82%	0.824	S	S	*	*			trans	-147.1	109.2	174.9	0	0	0	0	0	110.9
65	S	25.8	Very low	26.9	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	83%	0.831	S	S	*	*			trans	-85.2	155.6	168.5	-52.5	0	0	0	0	110.5
66	F	25.9	Very low	26.9	Very low	217 Å²	217	133 Å²	133	95%	0.952	83%	0.827	S	S	*	*				-171.6	175.1	117.7	-106	-69.1	0	0	0	112.3
67	A	26.8	Very low	27.1	Very low	83 Å²	83	133 Å²	133	69%	0.686	83%	0.832	S	S	*	*			trans	-90.6	154.6	-153.6	0	0	0	0	0	116.6
68	S	25.9	Very low	27.1	Very low	101 Å²	101	128.1 Å²	128.1	71%	0.706	82%	0.823	S	S	*	*			trans	34.1	127.3	130.7	-165.7	0	0	0	0	120.3
69	L	25.4	Very low	27.2	Very low	160 Å²	160	128.6 Å²	128.6	84%	0.838	82%	0.82	S	S	*	*				-169.9	168.8	107.6	-102.1	171.2	0	0	0	114.9
70	T	27.3	Very low	27.4	Very low	124 Å²	124	134.7 Å²	134.7	76%	0.761	82%	0.823	S	S	*	*			trans	-82.1	152.5	-169.3	53.8	0	0	0	0	116.2
71	S	27.5	Very low	27.6	Very low	123 Å²	123	137.1 Å²	137.1	86%	0.86	82%	0.822	S	S	*	*			trans	-157.4	158.3	140.5	61.2	0	0	0	0	113.3
72	R	28	Very low	27.6	Very low	236 Å²	236	137.8 Å²	137.8	89%	0.891	82%	0.817	S	S	*	*			trans	-96.3	161.6	-176.8	-54.9	168.6	171	163.6	-6.4	112.3
73	P	31.8	Very low	27.5	Very low	128 Å²	128	131.5 Å²	131.5	83%	0.831	80%	0.796	S	S	*	*			trans	-83.3	156.8	145	35.1	-31.4	0	0	0	111.9
74	S	26.8	Very low	27.6	Very low	127 Å²	127	132.6 Å²	132.6	89%	0.888	79%	0.786	S	S	*	*			trans	-125.3	154.3	-177.4	52.2	0	0	0	0	112.9
75	A	29.7	Very low	27.7	Very low	104 Å²	104	136.7 Å²	136.7	86%	0.86	78%	0.783	S	S	*	*			trans	-110.1	159.1	-169.1	0	0	0	0	0	115
76	S	28.1	Very low	27.7	Very low	116 Å²	116	140.5 Å²	140.5	81%	0.811	79%	0.789	S	S	*	*			trans	-176.1	164.5	154.9	55.5	0	0	0	0	108.7
77	S	30	Very low	27.7	Very low	120 Å²	120	134.4 Å²	134.4	84%	0.839	78%	0.779	S	S	*	*			cis	-169.1	162.7	-34	60.7	0	0	0	0	106.3
78	G	27.2	Very low	28.3	Very low	66 Å²	66	135.7 Å²	135.7	68%	0.68	78%	0.781	S	S	*	*			cis	137.2	130.2	3.6	0	0	0	0	0	111.3
79	S	28.3	Very low	28.3	Very low	103 Å²	103	138.1 Å²	138.1	72%	0.72	79%	0.785	S	S	*	*			trans	-163.9	119.4	168	-88.6	0	0	0	0	111
80	R	30.3	Very low	28.3	Very low	223 Å²	223	141.2 Å²	141.2	84%	0.842	79%	0.787	S	S	*	*				74.9	134	80.4	-72.2	168.6	177.6	-169.3	1	111.8
81	K	28.8	Very low	28.3	Very low	192 Å²	192	143.7 Å²	143.7	84%	0.835	80%	0.795	S	S	*	*			cis	-155.4	173.5	6.2	-104.8	172.3	-179.5	-178.8	0	107.5
82	K	27.5	Very low	28.4	Very low	173 Å²	173	140.8 Å²	140.8	75%	0.752	79%	0.785	S	S	*	*			cis	-129.6	-135.7	1.6	-172	-128.6	164.2	-160.1	0	109
83	S	24.5	Very low	28.5	Very low	71 Å²	71	137.6 Å²	137.6	50%	0.497	79%	0.785	S	S	.	*			trans	-174.9	161	-166.4	61.6	0	0	0	0	114.7
84	L	28	Very low	28.3	Very low	130 Å²	130	139.8 Å²	139.8	68%	0.681	79%	0.789	S	S	*	*			trans	72.9	148	156.4	-49.7	174	0	0	0	119.3
85	H	28.6	Very low	28.5	Very low	165 Å²	165	141 Å²	141	76%	0.764	79%	0.785	S	S	*	*			cis	-142.8	172.4	-2.2	-101.2	-58.3	0	0	0	107.6
86	Q	26	Very low	28.5	Very low	188 Å²	188	141.5 Å²	141.5	88%	0.879	78%	0.782	S	S	*	*			cis	-159.8	-176.8	40.7	-147.5	165.6	12.4	0	0	110.3
87	A	24.3	Very low	29	Very low	90 Å²	90	146.1 Å²	146.1	74%	0.744	78%	0.784	S	S	*	*			trans	-139	-171.5	-171.3	0	0	0	0	0	111.2
88	P	39.4	Very low	29.5	Very low	110 Å²	110	147 Å²	147	71%	0.714	77%	0.774	S	S	*	*			cis	-138.1	-168.7	-3.8	34.5	-11.1	0	0	0	115.4
89	L	26.4	Very low	30.1	Very low	152 Å²	152	148 Å²	148	80%	0.796	76%	0.764	S	S	*	*			trans	127.6	153.5	145.9	-67.2	177.9	0	0	0	117.6
90	Y	26.2	Very low	31.1	Very low	224 Å²	224	149.2 Å²	149.2	88%	0.878	76%	0.757	S	S	*	*			trans	57.3	96	179.3	-84.2	-85.9	0	0	0	118
91	N	27	Very low	32.2	Very low	176 Å²	176	142 Å²	142	94%	0.941	74%	0.74	S	S	*	*			trans	-82.2	120.7	168.4	-159.7	40.3	0	0	0	109.3
92	G	28.6	Very low	33.6	Very low	63 Å²	63	137.1 Å²	137.1	65%	0.649	72%	0.723	S	S	*	*			trans	-141	127.6	-175.3	0	0	0	0	0	113.1
93	L	30.7	Very low	35.4	Very low	168 Å²	168	134.5 Å²	134.5	88%	0.88	72%	0.718	S	S	*	*			trans	51.2	108.1	163.6	-62.3	172.1	0	0	0	118.3
94	L	27.7	Very low	38	Very low	174 Å²	174	133 Å²	133	91%	0.911	70%	0.702	S	S	*	*			trans	-143.5	61.2	143.9	-156.9	81.3	0	0	0	111.6
95	N	31.4	Very low	40.6	Very low	152 Å²	152	128.8 Å²	128.8	81%	0.813	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-85.5	135.7	150.3	-89.6	20.7	0	0	0	107.3
96	S	30.1	Very low	43.1	Very low	115 Å²	115	121 Å²	121	80%	0.804	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-62.1	146.6	171.7	46	0	0	0	0	110.9
97	Y	38.5	Very low	45.7	Very low	213 Å²	213	113.7 Å²	113.7	84%	0.835	62%	0.615	S	S	*	*	S	Bend	trans	-63.4	168.2	169.3	-102.5	-118.3	0	0	0	111.4
98	E	39.1	Very low	48.5	Very low	139 Å²	139	112.1 Å²	112.1	65%	0.65	59%	0.593	S	S	*	*			trans	78.7	52.3	170.1	-49.1	-73.3	111.8	0	0	117.6	K100	E98-K100 WeakPolarHBondContact OE1-CE 3.45Å; E98-K100 IonicContact OE1-NZ 2.94Å; E98-K100 PolarHBondContact OE1-NZ 2.97Å; E98-K100 IonicContact OE2-NZ 2.76Å; E98-K100 PolarHBondContact OE2-NZ 2.76Å
99	D	40.3	Very low	50.5	Low	88 Å²	88	109 Å²	109	47%	0.471	57%	0.574	S	S	.	*			trans	-135.3	75.8	145.9	-171.3	1.9	0	0	0	112.3	S101 N102	D99-S101 PolarHBondContact O-N 2.94Å; D99-S101 VanDerWaalsContact O-N 3.09Å; D99-S101 WeakPolarHBondContact OD1-CB 3.45Å; D99-S101 PolarHBondContact OD1-N 2.94Å; D99-S101 VanDerWaalsContact OD1-N 3.16Å; D99-S101 PolarHBondContact OD1-OG 3.11Å; D99-N102 PolarHBondContact O-N 3.29Å; D99-N102 PolarHBondContact OD2-ND2 3.39Å
100	K	50.2	Low	53.2	Low	128 Å²	128	109.6 Å²	109.6	56%	0.557	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	3.9	-179.3	-60.1	159.8	-172.8	137	0	113.2	E98	E98-K100 WeakPolarHBondContact OE1-CE 3.45Å; E98-K100 IonicContact OE1-NZ 2.94Å; E98-K100 PolarHBondContact OE1-NZ 2.97Å; E98-K100 IonicContact OE2-NZ 2.76Å; E98-K100 PolarHBondContact OE2-NZ 2.76Å
101	S	53.2	Low	55.8	Low	70 Å²	70	105.3 Å²	105.3	49%	0.49	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	-34.8	177.7	77.1	0	0	0	0	112.1	D99	D99-S101 PolarHBondContact O-N 2.94Å; D99-S101 VanDerWaalsContact O-N 3.09Å; D99-S101 WeakPolarHBondContact OD1-CB 3.45Å; D99-S101 PolarHBondContact OD1-N 2.94Å; D99-S101 VanDerWaalsContact OD1-N 3.16Å; D99-S101 PolarHBondContact OD1-OG 3.11Å
102	N	57.4	Low	58.4	Low	91 Å²	91	100.4 Å²	100.4	49%	0.487	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-81.9	-12.3	-172.7	-87.6	-56.3	0	0	0	114.5	D99 F104 V105	D99-N102 PolarHBondContact O-N 3.29Å; D99-N102 PolarHBondContact OD2-ND2 3.39Å; N102-F104 PolarHBondContact O-N 2.98Å; N102-V105 PolarHBondContact O-N 3.06Å
103	D	65.4	Low	61	Low	118 Å²	118	97.5 Å²	97.5	63%	0.631	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-65	-19.5	178.4	-69.9	-44.3	0	0	0	114
104	F	78.6	Confident	63.2	Low	39 Å²	39	95.3 Å²	95.3	17%	0.171	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-104.7	1.6	-177.2	-58.9	-59.3	0	0	0	114.1	N102 M112 I113 L162 I163	N102-F104 PolarHBondContact O-N 2.98Å; F104-M112 WeakPolarHBondContact O-CA 3.35Å; F104-I113 PolarHBondContact O-N 2.94Å; F104-L162 HydrophobicContact CE1-CB 3.65Å; F104-L162 HydrophobicContact CE1-CD1 4.35Å; F104-L162 HydrophobicContact CZ-CB 4.08Å; F104-I163 HydrophobicContact CB-CD1 4.22Å; F104-I163 HydrophobicContact CB-CG1 3.95Å; F104-I163 HydrophobicContact CD1-CD1 4.13Å; F104-I163 HydrophobicContact CD1-CG1 3.46Å; F104-I163 VanDerWaalsContact CD1-CG1 3.46Å; F104-I163 HydrophobicContact CE1-CG1 4.31Å; F104-I163 HydrophobicContact CG-CG1 3.98Å
105	V	83	Confident	65.9	Low	42 Å²	42	90.7 Å²	90.7	26%	0.255	46%	0.459	S	S	.	.	B	Isolated β-bridge	trans	-95.8	134.8	-176.6	-179	0	0	0	0	110.2	N102 P107 F110	N102-V105 PolarHBondContact O-N 3.06Å; V105-P107 VanDerWaalsContact O-CD 3.29Å; V105-P107 WeakPolarHBondContact O-CD 3.28Å; V105-F110 VanDerWaalsContact CG1-C 3.48Å; V105-F110 VanDerWaalsContact CG1-O 3.31Å; V105-F110 WeakPolarHBondContact CG1-O 3.32Å
106	C	82.3	Confident	68.6	Low	0 Å²	0	83.5 Å²	83.5	0%	0	42%	0.42	C	S	.	.			trans	-72.8	120	178.9	-175.7	0	0	0	0	110.3	I108 C109 F110 E111 I113 C126	C106-I108 PolarHBondContact O-N 3.02Å; C106-C109 WeakPolarHBondContact CB-SG 3.45Å; C106-F110 WeakPolarHBondContact O-CA 3.24Å; C106-F110 PolarHBondContact O-N 3.11Å; C106-E111 WeakPolarHBondContact CB-O 3.41Å; C106-E111 PolarHBondContact N-O 2.73Å; C106-I113 HydrophobicContact CB-CG1 3.7Å; C106-C126 PolarHBondContact SG-N 2.84Å; C106-C126 VanDerWaalsContact SG-N 3.4Å; C106-C126 VanDerWaalsContact SG-SG 3.67Å
107	P	80.1	Confident	71.3	Confident	36 Å²	36	79.3 Å²	79.3	23%	0.234	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	7.5	-179.6	-20.7	32.6	0	0	0	116.2	V105 F125 K142	V105-P107 VanDerWaalsContact O-CD 3.29Å; V105-P107 WeakPolarHBondContact O-CD 3.28Å; P107-F125 HydrophobicContact CB-CD1 4.34Å; P107-F125 HydrophobicContact CB-CE1 4.01Å; P107-F125 HydrophobicContact CG-CD1 4.12Å; P107-F125 HydrophobicContact CG-CE1 3.97Å; P107-K142 HydrophobicContact CB-CD 4.48Å; P107-K142 HydrophobicContact CB-CG 4.33Å; P107-K142 HydrophobicContact CG-CD 3.98Å; P107-K142 VanDerWaalsContact CG-CE 3.46Å; P107-K142 HydrophobicContact CG-CG 4.34Å
108	I	81.9	Confident	73.6	Confident	56 Å²	56	72 Å²	72	29%	0.287	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-48.2	-177.9	-58.4	167.3	0	0	0	110.9	C106 F125 C129 I130 P141	C106-I108 PolarHBondContact O-N 3.02Å; I108-F125 HydrophobicContact CD1-CB 4.38Å; I108-F125 HydrophobicContact CD1-CD1 3.51Å; I108-F125 HydrophobicContact CD1-CE1 4.04Å; I108-F125 HydrophobicContact CD1-CG 4.15Å; I108-F125 HydrophobicContact CG1-CD1 3.79Å; I108-F125 HydrophobicContact CG1-CE1 4.11Å; I108-C129 HydrophobicContact CB-CB 3.9Å; I108-C129 HydrophobicContact CD1-CB 3.9Å; I108-C129 HydrophobicContact CG2-CB 3.86Å; I108-I130 HydrophobicContact CD1-CB 4.35Å; I108-I130 HydrophobicContact CD1-CD1 4.33Å; I108-P141 HydrophobicContact CD1-CG 4.12Å; I108-P141 HydrophobicContact CG1-CG 4.3Å
109	C	82.5	Confident	75.7	Confident	46 Å²	46	65.5 Å²	65.5	31%	0.311	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-8.1	177.3	60.1	0	0	0	0	114.4	C106 E111	C106-C109 WeakPolarHBondContact CB-SG 3.45Å; C109-E111 PolarHBondContact O-N 2.92Å; C109-E111 VanDerWaalsContact O-N 3.13Å
110	F	82.3	Confident	77.6	Confident	163 Å²	163	66.4 Å²	66.4	72%	0.715	33%	0.332	S	S	*	.			trans	60.9	12.3	-176.5	-52.2	-83	0	0	0	115.3	V105 C106	V105-F110 VanDerWaalsContact CG1-C 3.48Å; V105-F110 VanDerWaalsContact CG1-O 3.31Å; V105-F110 WeakPolarHBondContact CG1-O 3.32Å; C106-F110 WeakPolarHBondContact O-CA 3.24Å; C106-F110 PolarHBondContact O-N 3.11Å
111	E	80.7	Confident	79.1	Confident	134 Å²	134	62.1 Å²	62.1	63%	0.626	32%	0.317	S	S	*	.	S	Bend	trans	-98.8	163.8	172.7	-62.8	-179.4	143.7	0	0	111.7	C106 C109 I113	C106-E111 WeakPolarHBondContact CB-O 3.41Å; C106-E111 PolarHBondContact N-O 2.73Å; C109-E111 PolarHBondContact O-N 2.92Å; C109-E111 VanDerWaalsContact O-N 3.13Å; E111-I113 PolarHBondContact O-N 3.21Å
112	M	81.5	Confident	80.4	Confident	73 Å²	73	60.6 Å²	60.6	36%	0.36	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-63.3	131.7	175.9	-175	179.7	-70.3	0	0	111	F104 E114 I163 K167	F104-M112 WeakPolarHBondContact O-CA 3.35Å; M112-E114 PolarHBondContact O-N 3.05Å; M112-I163 HydrophobicContact CG-CG2 3.89Å; M112-I163 HydrophobicContact SD-CG2 3.85Å; M112-K167 HydrophobicContact SD-CD 4.13Å; M112-K167 WeakPolarHBondContact SD-CE 3.41Å; M112-K167 HydrophobicContact SD-CG 3.58Å; M112-K167 VanDerWaalsContact SD-CG 3.58Å
113	I	83.1	Confident	81.8	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.015	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-63.2	119.9	-169.4	-63	163.7	0	0	0	111.8	F104 C106 E111 A116 C126 I163	F104-I113 PolarHBondContact O-N 2.94Å; C106-I113 HydrophobicContact CB-CG1 3.7Å; E111-I113 PolarHBondContact O-N 3.21Å; I113-A116 VanDerWaalsContact CG2-CA 3.41Å; I113-A116 HydrophobicContact CG2-CB 3.65Å; I113-C126 VanDerWaalsContact CA-SG 3.58Å; I113-I163 HydrophobicContact CB-CD1 3.65Å; I113-I163 HydrophobicContact CG2-CD1 4.37Å; I113-I163 WeakPolarHBondContact O-CD1 3.26Å
114	E	77.8	Confident	82.9	Confident	121 Å²	121	54.7 Å²	54.7	57%	0.565	28%	0.281	S	S	*	.	S	Bend	trans	-78.7	-40.3	178.5	-61.8	-161.9	125	0	0	113.6	M112 K128	M112-E114 PolarHBondContact O-N 3.05Å; E114-K128 IonicContact OE2-NZ 3.32Å; E114-K128 PolarHBondContact OE2-NZ 2.95Å
115	E	84.9	Confident	83.3	Confident	78 Å²	78	52.9 Å²	52.9	36%	0.364	27%	0.273	S	S	.	.	S	Bend	trans	-138.6	78.7	-172.8	-69.7	173.9	166.5	0	0	108.9	H117 F127	E115-H117 PolarHBondContact O-N 3.43Å; E115-H117 VanDerWaalsContact O-N 3.16Å; E115-H117 PolarHBondContact O-ND1 3.49Å; E115-F127 HydrophobicContact CB-CB 3.9Å; E115-F127 PolarHBondContact O-N 3.32Å
116	A	86.9	Confident	83.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	118.8	-172.9	0	0	0	0	0	111.7	I113 F125 N156 V159 N160	I113-A116 VanDerWaalsContact CG2-CA 3.41Å; I113-A116 HydrophobicContact CG2-CB 3.65Å; A116-F125 WeakPolarHBondContact CA-O 3.37Å; A116-N156 HydrophobicContact CB-CB 4.13Å; A116-N156 PolarHBondContact O-N 3.16Å; A116-V159 HydrophobicContact CB-CB 3.94Å; A116-V159 HydrophobicContact CB-CG1 3.7Å; A116-N160 WeakPolarHBondContact CB-OD1 3.18Å; A116-N160 PolarHBondContact N-OD1 2.95Å
117	H	87.6	Confident	83.8	Confident	28 Å²	28	54.3 Å²	54.3	13%	0.13	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.1	171.3	-74.7	65.4	0	0	0	109.3	E115 S124 F125 F127 Y154	E115-H117 PolarHBondContact O-N 3.43Å; E115-H117 VanDerWaalsContact O-N 3.16Å; E115-H117 PolarHBondContact O-ND1 3.49Å; H117-S124 WeakPolarHBondContact O-CA 3.46Å; H117-F125 PolarHBondContact N-O 2.93Å; H117-F125 PolarHBondContact O-N 2.88Å; H117-F127 HydrophobicContact CB-CD2 4.38Å; H117-F127 AromaticContact CD2-CD2 3.59Å; H117-F127 AromaticContact CE1-CD2 3.82Å; H117-F127 AromaticContact CE1-CG 3.82Å; H117-F127 AromaticContact CG-CD2 3.68Å; H117-F127 WeakPolarHBondContact ND1-CB 3.34Å; H117-F127 AromaticContact ND1-CD2 3.84Å; H117-F127 AromaticContact ND1-CG 3.9Å; H117-F127 AromaticContact NE2-CD2 3.68Å; H117-Y154 CarbonylContact C-O 3.58Å; H117-Y154 WeakPolarHBondContact CA-O 3.49Å
118	M	86.3	Confident	84.2	Confident	60 Å²	60	58 Å²	58	30%	0.296	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138	179	71.8	-162.1	-54.7	0	0	111.6	H123 Y154 N156	M118-H123 WeakPolarHBondContact CA-O 3.46Å; M118-Y154 PolarHBondContact N-O 3.19Å; M118-Y154 PolarHBondContact O-N 2.93Å; M118-N156 HydrophobicContact CB-CB 4.42Å; M118-N156 HydrophobicContact SD-CB 4.24Å
119	T	84.5	Confident	84.5	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	162.1	167.8	55.6	0	0	0	0	110.2	C121 G122 H123 F125 I130 C140 V147 L153	T119-C121 PolarHBondContact O-N 3.01Å; T119-C121 PolarHBondContact OG1-SG 2.89Å; T119-G122 PolarHBondContact O-N 3.34Å; T119-H123 PolarHBondContact N-O 2.91Å; T119-H123 PolarHBondContact OG1-O 3Å; T119-F125 HydrophobicContact CG2-CE2 4.25Å; T119-I130 HydrophobicContact CG2-CD1 4.08Å; T119-I130 HydrophobicContact CG2-CG1 3.93Å; T119-C140 HydrophobicContact CG2-CB 4.47Å; T119-V147 HydrophobicContact CG2-CG2 4.38Å; T119-L153 HydrophobicContact CG2-CD2 3.74Å
120	K	79.1	Confident	84.6	Confident	107 Å²	107	54.4 Å²	54.4	47%	0.465	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-25	175.2	-78.8	-174.6	178.1	169.2	0	115.3	G122 Y145 Q152 Y154	K120-G122 PolarHBondContact O-N 2.97Å; K120-Y145 HydrophobicContact CB-CE1 4.15Å; K120-Q152 HydrophobicContact CD-CB 4.4Å; K120-Q152 VanDerWaalsContact CD-OE1 3.28Å; K120-Q152 HydrophobicContact CG-CB 4.42Å; K120-Q152 VanDerWaalsContact NZ-CD 3.34Å; K120-Y154 HydrophobicContact CG-CE2 3.91Å
121	C	82.9	Confident	84.7	Confident	37 Å²	37	52 Å²	52	25%	0.25	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	9.7	176.5	73.2	0	0	0	0	114.4	T119 H123 C140 C143 Y145	T119-C121 PolarHBondContact O-N 3.01Å; T119-C121 PolarHBondContact OG1-SG 2.89Å; C121-H123 VanDerWaalsContact C-N 3.3Å; C121-H123 PolarHBondContact O-N 3.12Å; C121-H123 PolarHBondContact SG-ND1 3.41Å; C121-C140 PolarHBondContact SG-SG 3.05Å; C121-C143 PolarHBondContact SG-SG 2.98Å; C121-Y145 HydrophobicContact CB-CD1 4.05Å; C121-Y145 HydrophobicContact CB-CG 3.95Å
122	G	80.3	Confident	84.9	Confident	39 Å²	39	51.4 Å²	51.4	40%	0.402	25%	0.253	S	S	.	.	S	Bend	trans	87	-19.9	175.4	0	0	0	0	0	115.4	T119 K120 S124	T119-G122 PolarHBondContact O-N 3.34Å; K120-G122 PolarHBondContact O-N 2.97Å; G122-S124 PolarHBondContact O-N 3.34Å
123	H	85.7	Confident	85.1	Confident	60 Å²	60	49 Å²	49	28%	0.278	24%	0.244	S	C	.	.			trans	-68.4	130	-179.4	-63.5	110.3	0	0	0	112.3	M118 T119 C121 F125 K142	M118-H123 WeakPolarHBondContact CA-O 3.46Å; T119-H123 PolarHBondContact N-O 2.91Å; T119-H123 PolarHBondContact OG1-O 3Å; C121-H123 VanDerWaalsContact C-N 3.3Å; C121-H123 PolarHBondContact O-N 3.12Å; C121-H123 PolarHBondContact SG-ND1 3.41Å; H123-F125 HydrophobicContact CB-CE2 3.61Å; H123-F125 HydrophobicContact CB-CZ 3.91Å; H123-F125 WeakPolarHBondContact O-CE2 3.45Å; H123-K142 HydrophobicContact CB-CB 4.26Å; H123-K142 HydrophobicContact CB-CD 4.5Å; H123-K142 VanDerWaalsContact CD2-CD 3.46Å; H123-K142 WeakPolarHBondContact CD2-CD 3.47Å
124	S	88.1	Confident	85	Confident	25 Å²	25	49.7 Å²	49.7	18%	0.175	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	145.2	-178.5	-59.7	0	0	0	0	112.5	H117 G122 N156	H117-S124 WeakPolarHBondContact O-CA 3.46Å; G122-S124 PolarHBondContact O-N 3.34Å; S124-N156 PolarHBondContact OG-ND2 3.07Å
125	F	87.9	Confident	85.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	169.3	-173.7	-55.5	-93	0	0	0	110.3	P107 I108 A116 H117 T119 H123 I130 P141 K142	P107-F125 HydrophobicContact CB-CD1 4.34Å; P107-F125 HydrophobicContact CB-CE1 4.01Å; P107-F125 HydrophobicContact CG-CD1 4.12Å; P107-F125 HydrophobicContact CG-CE1 3.97Å; I108-F125 HydrophobicContact CD1-CB 4.38Å; I108-F125 HydrophobicContact CD1-CD1 3.51Å; I108-F125 HydrophobicContact CD1-CE1 4.04Å; I108-F125 HydrophobicContact CD1-CG 4.15Å; I108-F125 HydrophobicContact CG1-CD1 3.79Å; I108-F125 HydrophobicContact CG1-CE1 4.11Å; A116-F125 WeakPolarHBondContact CA-O 3.37Å; H117-F125 PolarHBondContact N-O 2.93Å; H117-F125 PolarHBondContact O-N 2.88Å; T119-F125 HydrophobicContact CG2-CE2 4.25Å; H123-F125 HydrophobicContact CB-CE2 3.61Å; H123-F125 HydrophobicContact CB-CZ 3.91Å; H123-F125 WeakPolarHBondContact O-CE2 3.45Å; F125-I130 HydrophobicContact CB-CB 3.74Å; F125-I130 HydrophobicContact CB-CG1 4.46Å; F125-I130 HydrophobicContact CB-CG2 4.12Å; F125-I130 HydrophobicContact CD2-CB 4.13Å; F125-I130 HydrophobicContact CD2-CD1 3.81Å; F125-I130 HydrophobicContact CD2-CG1 3.89Å; F125-I130 HydrophobicContact CE2-CD1 3.89Å; F125-I130 HydrophobicContact CE2-CG1 4.4Å; F125-I130 HydrophobicContact CG-CB 4.03Å; F125-I130 HydrophobicContact CG-CD1 4.17Å; F125-I130 HydrophobicContact CG-CG1 4.27Å; F125-I130 HydrophobicContact CZ-CD1 4.32Å; F125-P141 HydrophobicContact CE1-CB 4.25Å; F125-P141 HydrophobicContact CE1-CG 4.41Å; F125-P141 HydrophobicContact CZ-CB 4.47Å; F125-K142 HydrophobicContact CZ-CB 4.25Å
126	C	89.2	Confident	85	Confident	9 Å²	9	51.9 Å²	51.9	6%	0.061	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	134.6	161.9	-62.6	0	0	0	0	110.6	C106 I113 K128 C129 I130	C106-C126 PolarHBondContact SG-N 2.84Å; C106-C126 VanDerWaalsContact SG-N 3.4Å; C106-C126 VanDerWaalsContact SG-SG 3.67Å; I113-C126 VanDerWaalsContact CA-SG 3.58Å; C126-K128 PolarHBondContact O-N 2.8Å; C126-C129 HydrophobicContact CB-CB 4.07Å; C126-C129 PolarHBondContact O-N 2.81Å; C126-C129 VanDerWaalsContact O-N 3.12Å; C126-I130 WeakPolarHBondContact O-CG2 3.36Å; C126-I130 PolarHBondContact O-N 2.91Å
127	F	87.4	Confident	84.6	Confident	64 Å²	64	54.5 Å²	54.5	28%	0.281	28%	0.28	S	S	.	.	H	α-helix	trans	-47.5	-55.6	177.8	-176.1	-128.5	0	0	0	113.2	E115 H117 C129 I130 R131 L153	E115-F127 HydrophobicContact CB-CB 3.9Å; E115-F127 PolarHBondContact O-N 3.32Å; H117-F127 HydrophobicContact CB-CD2 4.38Å; H117-F127 AromaticContact CD2-CD2 3.59Å; H117-F127 AromaticContact CE1-CD2 3.82Å; H117-F127 AromaticContact CE1-CG 3.82Å; H117-F127 AromaticContact CG-CD2 3.68Å; H117-F127 WeakPolarHBondContact ND1-CB 3.34Å; H117-F127 AromaticContact ND1-CD2 3.84Å; H117-F127 AromaticContact ND1-CG 3.9Å; H117-F127 AromaticContact NE2-CD2 3.68Å; F127-C129 VanDerWaalsContact C-N 3.32Å; F127-C129 PolarHBondContact O-N 3.32Å; F127-I130 WeakPolarHBondContact O-CG2 3.33Å; F127-I130 PolarHBondContact O-N 3.16Å; F127-R131 WeakPolarHBondContact O-CB 3.08Å; F127-R131 PolarHBondContact O-N 2.81Å; F127-L153 HydrophobicContact CD2-CD1 4.45Å; F127-L153 HydrophobicContact CE2-CD1 4.3Å
128	K	87.3	Confident	84.3	Confident	113 Å²	113	57 Å²	57	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-53.2	-48.4	179.5	-56.9	165.1	-164.8	160.4	0	111.2	E114 C126 Q132	E114-K128 IonicContact OE2-NZ 3.32Å; E114-K128 PolarHBondContact OE2-NZ 2.95Å; C126-K128 PolarHBondContact O-N 2.8Å; K128-Q132 WeakPolarHBondContact O-CB 3.4Å; K128-Q132 PolarHBondContact O-N 3.34Å
129	C	87.7	Confident	84.1	Confident	26 Å²	26	58.8 Å²	58.8	18%	0.176	30%	0.298	C	S	.	.	H	α-helix	trans	-69.8	-44.7	-176	-53.8	0	0	0	0	113	I108 C126 F127 S133	I108-C129 HydrophobicContact CB-CB 3.9Å; I108-C129 HydrophobicContact CD1-CB 3.9Å; I108-C129 HydrophobicContact CG2-CB 3.86Å; C126-C129 HydrophobicContact CB-CB 4.07Å; C126-C129 PolarHBondContact O-N 2.81Å; C126-C129 VanDerWaalsContact O-N 3.12Å; F127-C129 VanDerWaalsContact C-N 3.32Å; F127-C129 PolarHBondContact O-N 3.32Å; C129-S133 VanDerWaalsContact O-CB 3.26Å; C129-S133 WeakPolarHBondContact O-CB 3.3Å; C129-S133 PolarHBondContact O-N 2.87Å
130	I	85.7	Confident	84.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-72.4	-33.4	178.1	-170.3	59.7	0	0	0	111.8	I108 T119 F125 C126 F127 S133 L134 P141 L153	I108-I130 HydrophobicContact CD1-CB 4.35Å; I108-I130 HydrophobicContact CD1-CD1 4.33Å; T119-I130 HydrophobicContact CG2-CD1 4.08Å; T119-I130 HydrophobicContact CG2-CG1 3.93Å; F125-I130 HydrophobicContact CB-CB 3.74Å; F125-I130 HydrophobicContact CB-CG1 4.46Å; F125-I130 HydrophobicContact CB-CG2 4.12Å; F125-I130 HydrophobicContact CD2-CB 4.13Å; F125-I130 HydrophobicContact CD2-CD1 3.81Å; F125-I130 HydrophobicContact CD2-CG1 3.89Å; F125-I130 HydrophobicContact CE2-CD1 3.89Å; F125-I130 HydrophobicContact CE2-CG1 4.4Å; F125-I130 HydrophobicContact CG-CB 4.03Å; F125-I130 HydrophobicContact CG-CD1 4.17Å; F125-I130 HydrophobicContact CG-CG1 4.27Å; F125-I130 HydrophobicContact CZ-CD1 4.32Å; C126-I130 WeakPolarHBondContact O-CG2 3.36Å; C126-I130 PolarHBondContact O-N 2.91Å; F127-I130 WeakPolarHBondContact O-CG2 3.33Å; F127-I130 PolarHBondContact O-N 3.16Å; I130-S133 PolarHBondContact O-N 3.4Å; I130-L134 HydrophobicContact CD1-CG 4.29Å; I130-L134 HydrophobicContact CG1-CD1 4.18Å; I130-L134 HydrophobicContact CG1-CG 4.35Å; I130-L134 WeakPolarHBondContact O-CB 3.34Å; I130-L134 VanDerWaalsContact O-CG 3.24Å; I130-L134 WeakPolarHBondContact O-CG 3.47Å; I130-L134 PolarHBondContact O-N 3.47Å; I130-P141 HydrophobicContact CD1-CG 4.25Å; I130-L153 HydrophobicContact CG1-CD2 3.82Å; I130-L153 HydrophobicContact CG2-CD1 3.94Å; I130-L153 HydrophobicContact CG2-CD2 3.92Å
131	R	84.7	Confident	84.2	Confident	112 Å²	112	56.7 Å²	56.7	42%	0.423	30%	0.295	S	S	.	.	H	α-helix	trans	-60.5	-53.7	172.7	178.2	179.5	171.2	140.7	11.4	111	F127 S133 L134 E135 V150	F127-R131 WeakPolarHBondContact O-CB 3.08Å; F127-R131 PolarHBondContact O-N 2.81Å; R131-S133 VanDerWaalsContact C-N 3.33Å; R131-S133 PolarHBondContact O-N 3.2Å; R131-L134 PolarHBondContact O-N 2.93Å; R131-E135 IonicContact CZ-OE1 3.77Å; R131-E135 VanDerWaalsContact CZ-OE1 3.32Å; R131-E135 IonicContact NE-OE1 2.65Å; R131-E135 PolarHBondContact NE-OE1 2.9Å; R131-E135 IonicContact NH2-OE1 3.69Å; R131-E135 PolarHBondContact NH2-OE1 2.91Å; R131-E135 WeakPolarHBondContact O-CG 3.23Å; R131-E135 PolarHBondContact O-N 3.46Å; R131-V150 HydrophobicContact CG-CG1 4.44Å
132	Q	84.9	Confident	84	Confident	122 Å²	122	60.9 Å²	60.9	57%	0.57	31%	0.309	S	S	*	.	H	α-helix	trans	-60.4	-44	178.6	-173.1	173.5	0.8	0	0	111.3	K128 L134 E135 D136	K128-Q132 WeakPolarHBondContact O-CB 3.4Å; K128-Q132 PolarHBondContact O-N 3.34Å; Q132-L134 PolarHBondContact O-N 3.32Å; Q132-E135 PolarHBondContact O-N 3.13Å; Q132-E135 VanDerWaalsContact O-N 3.11Å; Q132-D136 PolarHBondContact O-N 3.09Å
133	S	84.3	Confident	84.1	Confident	23 Å²	23	62 Å²	62	16%	0.161	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-26.3	175.3	-176	0	0	0	0	114	C129 I130 R131 S137 P141	C129-S133 VanDerWaalsContact O-CB 3.26Å; C129-S133 WeakPolarHBondContact O-CB 3.3Å; C129-S133 PolarHBondContact O-N 2.87Å; I130-S133 PolarHBondContact O-N 3.4Å; R131-S133 VanDerWaalsContact C-N 3.33Å; R131-S133 PolarHBondContact O-N 3.2Å; S133-S137 PolarHBondContact O-N 3.27Å; S133-S137 PolarHBondContact O-OG 2.98Å; S133-P141 VanDerWaalsContact OG-CG 3.23Å; S133-P141 WeakPolarHBondContact OG-CG 3.38Å
134	L	82.8	Confident	83.9	Confident	18 Å²	18	64.2 Å²	64.2	9%	0.094	32%	0.323	C	S	.	.	H	α-helix	trans	-85.4	-27.3	174.8	-73.6	178.9	0	0	0	113.4	I130 R131 Q132 S137 V147 L153	I130-L134 HydrophobicContact CD1-CG 4.29Å; I130-L134 HydrophobicContact CG1-CD1 4.18Å; I130-L134 HydrophobicContact CG1-CG 4.35Å; I130-L134 WeakPolarHBondContact O-CB 3.34Å; I130-L134 VanDerWaalsContact O-CG 3.24Å; I130-L134 WeakPolarHBondContact O-CG 3.47Å; I130-L134 PolarHBondContact O-N 3.47Å; R131-L134 PolarHBondContact O-N 2.93Å; Q132-L134 PolarHBondContact O-N 3.32Å; L134-S137 VanDerWaalsContact CA-O 3.28Å; L134-S137 WeakPolarHBondContact CA-O 3.42Å; L134-V147 HydrophobicContact CD1-CB 4.3Å; L134-V147 HydrophobicContact CD1-CG1 3.91Å; L134-V147 HydrophobicContact CD2-CB 3.85Å; L134-V147 HydrophobicContact CD2-CG1 4.37Å; L134-V147 HydrophobicContact CD2-CG2 4.35Å; L134-L153 HydrophobicContact CD1-CD1 4.22Å; L134-L153 HydrophobicContact CD1-CD2 3.92Å; L134-L153 HydrophobicContact CD1-CG 4.14Å
135	E	82.2	Confident	83.6	Confident	113 Å²	113	68.7 Å²	68.7	53%	0.528	34%	0.337	S	S	.	.	H	α-helix	trans	-70	-36.9	169.7	-70.7	168.3	175.1	0	0	110.6	R131 Q132	R131-E135 IonicContact CZ-OE1 3.77Å; R131-E135 VanDerWaalsContact CZ-OE1 3.32Å; R131-E135 IonicContact NE-OE1 2.65Å; R131-E135 PolarHBondContact NE-OE1 2.9Å; R131-E135 IonicContact NH2-OE1 3.69Å; R131-E135 PolarHBondContact NH2-OE1 2.91Å; R131-E135 WeakPolarHBondContact O-CG 3.23Å; R131-E135 PolarHBondContact O-N 3.46Å; Q132-E135 PolarHBondContact O-N 3.13Å; Q132-E135 VanDerWaalsContact O-N 3.11Å
136	D	79.4	Confident	83.3	Confident	131 Å²	131	71.7 Å²	71.7	70%	0.701	35%	0.353	S	S	*	.	H	α-helix	trans	-78.8	-32.5	173.4	-71.3	-40.4	0	0	0	113.8	Q132	Q132-D136 PolarHBondContact O-N 3.09Å
137	S	77.8	Confident	82.9	Confident	55 Å²	55	71.5 Å²	71.5	39%	0.385	35%	0.351	S	S	.	.			trans	-156.8	127.4	-177.7	67.6	0	0	0	0	112.8	S133 L134 R139	S133-S137 PolarHBondContact O-N 3.27Å; S133-S137 PolarHBondContact O-OG 2.98Å; L134-S137 VanDerWaalsContact CA-O 3.28Å; L134-S137 WeakPolarHBondContact CA-O 3.42Å; S137-R139 PolarHBondContact O-N 3.32Å
138	N	82.5	Confident	82	Confident	80 Å²	80	73.7 Å²	73.7	43%	0.428	37%	0.366	S	S	.	.	S	Bend	trans	-73.6	37.3	-175	72.5	-20.7	0	0	0	115.3	I146 V147	N138-I146 CarbonylContact O-C 3.57Å; N138-I146 WeakPolarHBondContact O-CA 3.5Å; N138-V147 PolarHBondContact O-N 3.22Å
139	R	82.4	Confident	81.3	Confident	99 Å²	99	73 Å²	73	37%	0.374	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-139.3	143.1	-171.9	-61	-174.8	177.4	-96.9	-0	112.6	S137 P141 N144 Y145 I146	S137-R139 PolarHBondContact O-N 3.32Å; R139-P141 WeakPolarHBondContact O-CD 3.14Å; R139-N144 WeakPolarHBondContact CD-OD1 3.49Å; R139-N144 PolarHBondContact NH1-O 3.05Å; R139-Y145 CarbonylContact C-O 3.49Å; R139-Y145 VanDerWaalsContact CA-O 3.3Å; R139-Y145 WeakPolarHBondContact CA-O 3.32Å; R139-I146 HydrophobicContact CG-CG1 4.42Å
140	C	82.9	Confident	80.5	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.375	C	S	.	.			trans	-70.3	121.8	176.7	171.1	0	0	0	0	112	T119 C121 K142 C143 N144 Y145	T119-C140 HydrophobicContact CG2-CB 4.47Å; C121-C140 PolarHBondContact SG-SG 3.05Å; C140-K142 VanDerWaalsContact C-N 3.27Å; C140-K142 PolarHBondContact O-N 3.41Å; C140-C143 PolarHBondContact O-N 2.81Å; C140-C143 VanDerWaalsContact O-N 3.16Å; C140-N144 WeakPolarHBondContact O-CA 3.3Å; C140-N144 PolarHBondContact O-N 3.43Å; C140-Y145 PolarHBondContact N-O 2.98Å
141	P	82.1	Confident	79.8	Confident	64 Å²	64	81 Å²	81	42%	0.416	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.8	-176.1	-31.4	38.8	0	0	0	116.4	I108 F125 I130 S133 R139	I108-P141 HydrophobicContact CD1-CG 4.12Å; I108-P141 HydrophobicContact CG1-CG 4.3Å; F125-P141 HydrophobicContact CE1-CB 4.25Å; F125-P141 HydrophobicContact CE1-CG 4.41Å; F125-P141 HydrophobicContact CZ-CB 4.47Å; I130-P141 HydrophobicContact CD1-CG 4.25Å; S133-P141 VanDerWaalsContact OG-CG 3.23Å; S133-P141 WeakPolarHBondContact OG-CG 3.38Å; R139-P141 WeakPolarHBondContact O-CD 3.14Å
142	K	79.8	Confident	79.3	Confident	126 Å²	126	76.7 Å²	76.7	55%	0.548	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-22.1	-179.8	-103.3	-171.1	171.5	175.6	0	115.7	P107 H123 F125 C140	P107-K142 HydrophobicContact CB-CD 4.48Å; P107-K142 HydrophobicContact CB-CG 4.33Å; P107-K142 HydrophobicContact CG-CD 3.98Å; P107-K142 VanDerWaalsContact CG-CE 3.46Å; P107-K142 HydrophobicContact CG-CG 4.34Å; H123-K142 HydrophobicContact CB-CB 4.26Å; H123-K142 HydrophobicContact CB-CD 4.5Å; H123-K142 VanDerWaalsContact CD2-CD 3.46Å; H123-K142 WeakPolarHBondContact CD2-CD 3.47Å; F125-K142 HydrophobicContact CZ-CB 4.25Å; C140-K142 VanDerWaalsContact C-N 3.27Å; C140-K142 PolarHBondContact O-N 3.41Å
143	C	81.6	Confident	79.2	Confident	61 Å²	61	71.7 Å²	71.7	41%	0.412	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.5	5.6	-172.6	67.5	0	0	0	0	115.5	C121 C140 Y145	C121-C143 PolarHBondContact SG-SG 2.98Å; C140-C143 PolarHBondContact O-N 2.81Å; C140-C143 VanDerWaalsContact O-N 3.16Å; C143-Y145 PolarHBondContact O-N 3.35Å
144	N	80.6	Confident	79.2	Confident	107 Å²	107	75.9 Å²	75.9	57%	0.572	39%	0.385	S	S	*	.			trans	61.7	10.5	176.4	-132.7	6	0	0	0	116.2	R139 C140	R139-N144 WeakPolarHBondContact CD-OD1 3.49Å; R139-N144 PolarHBondContact NH1-O 3.05Å; C140-N144 WeakPolarHBondContact O-CA 3.3Å; C140-N144 PolarHBondContact O-N 3.43Å
145	Y	82.3	Confident	79.4	Confident	119 Å²	119	77.9 Å²	77.9	47%	0.467	40%	0.4	S	S	.	.			trans	-61	134.1	173.6	-177.8	-90.8	0	0	0	110.8	K120 C121 R139 C140 C143 V147	K120-Y145 HydrophobicContact CB-CE1 4.15Å; C121-Y145 HydrophobicContact CB-CD1 4.05Å; C121-Y145 HydrophobicContact CB-CG 3.95Å; R139-Y145 CarbonylContact C-O 3.49Å; R139-Y145 VanDerWaalsContact CA-O 3.3Å; R139-Y145 WeakPolarHBondContact CA-O 3.32Å; C140-Y145 PolarHBondContact N-O 2.98Å; C143-Y145 PolarHBondContact O-N 3.35Å; Y145-V147 HydrophobicContact CD1-CG2 4.24Å
146	I	80.9	Confident	79.5	Confident	64 Å²	64	73.5 Å²	73.5	33%	0.328	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-75	134.6	-175.4	-56.5	174.3	0	0	0	110	N138 R139 D148	N138-I146 CarbonylContact O-C 3.57Å; N138-I146 WeakPolarHBondContact O-CA 3.5Å; R139-I146 HydrophobicContact CG-CG1 4.42Å; I146-D148 WeakPolarHBondContact CG2-OD1 3.33Å
147	V	81	Confident	79.8	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.024	38%	0.378	C	S	.	.			trans	-126.7	97.5	177.9	-175.9	0	0	0	0	107.5	T119 L134 N138 Y145 N149 Q152	T119-V147 HydrophobicContact CG2-CG2 4.38Å; L134-V147 HydrophobicContact CD1-CB 4.3Å; L134-V147 HydrophobicContact CD1-CG1 3.91Å; L134-V147 HydrophobicContact CD2-CB 3.85Å; L134-V147 HydrophobicContact CD2-CG1 4.37Å; L134-V147 HydrophobicContact CD2-CG2 4.35Å; N138-V147 PolarHBondContact O-N 3.22Å; Y145-V147 HydrophobicContact CD1-CG2 4.24Å; V147-N149 PolarHBondContact O-N 3.06Å; V147-Q152 HydrophobicContact CG1-CB 3.89Å
148	D	68.8	Low	80	Confident	111 Å²	111	78 Å²	78	59%	0.594	39%	0.392	S	S	*	.			trans	-72.6	-25.4	-164.1	-44.6	-76.7	0	0	0	114.6	I146	I146-D148 WeakPolarHBondContact CG2-OD1 3.33Å
149	N	73.8	Confident	80	Confident	98 Å²	98	75.4 Å²	75.4	52%	0.524	38%	0.379	S	S	.	.			trans	-139.9	149.6	179.6	-80.4	-24.3	0	0	0	110.8	V147 D151 Q152	V147-N149 PolarHBondContact O-N 3.06Å; N149-D151 PolarHBondContact O-N 3.19Å; N149-Q152 HydrophobicContact CB-CG 4.32Å; N149-Q152 WeakPolarHBondContact O-CB 3.49Å; N149-Q152 WeakPolarHBondContact O-CG 3.39Å; N149-Q152 PolarHBondContact O-N 3Å; N149-Q152 VanDerWaalsContact O-N 3.11Å
150	V	69.6	Low	80	Confident	54 Å²	54	72.3 Å²	72.3	33%	0.327	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-63.1	-27.9	177.2	-175.7	0	0	0	0	112.1	R131 Q152 L153	R131-V150 HydrophobicContact CG-CG1 4.44Å; V150-Q152 PolarHBondContact O-N 2.89Å; V150-L153 HydrophobicContact CG1-CD1 4.03Å; V150-L153 WeakPolarHBondContact O-CB 3.41Å; V150-L153 WeakPolarHBondContact O-CG 3.48Å; V150-L153 PolarHBondContact O-N 3.33Å
151	D	71.7	Confident	80	Confident	139 Å²	139	78.8 Å²	78.8	74%	0.743	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-64.4	-2.9	174.5	-47.2	-57.4	0	0	0	114.1	N149 L153	N149-D151 PolarHBondContact O-N 3.19Å; D151-L153 VanDerWaalsContact C-N 3.34Å
152	Q	74.2	Confident	80	Confident	23 Å²	23	79.7 Å²	79.7	11%	0.107	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-94.2	11	173.9	-51	-171.8	37	0	0	112.7	K120 V147 N149 V150 Y154	K120-Q152 HydrophobicContact CD-CB 4.4Å; K120-Q152 VanDerWaalsContact CD-OE1 3.28Å; K120-Q152 HydrophobicContact CG-CB 4.42Å; K120-Q152 VanDerWaalsContact NZ-CD 3.34Å; V147-Q152 HydrophobicContact CG1-CB 3.89Å; N149-Q152 HydrophobicContact CB-CG 4.32Å; N149-Q152 WeakPolarHBondContact O-CB 3.49Å; N149-Q152 WeakPolarHBondContact O-CG 3.39Å; N149-Q152 PolarHBondContact O-N 3Å; N149-Q152 VanDerWaalsContact O-N 3.11Å; V150-Q152 PolarHBondContact O-N 2.89Å; Q152-Y154 WeakPolarHBondContact O-CE2 3.37Å
153	L	83.1	Confident	80	Confident	16 Å²	16	74 Å²	74	8%	0.084	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.8	166.4	-65.5	176.6	0	0	0	110.3	T119 F127 I130 L134 V150 D151	T119-L153 HydrophobicContact CG2-CD2 3.74Å; F127-L153 HydrophobicContact CD2-CD1 4.45Å; F127-L153 HydrophobicContact CE2-CD1 4.3Å; I130-L153 HydrophobicContact CG1-CD2 3.82Å; I130-L153 HydrophobicContact CG2-CD1 3.94Å; I130-L153 HydrophobicContact CG2-CD2 3.92Å; L134-L153 HydrophobicContact CD1-CD1 4.22Å; L134-L153 HydrophobicContact CD1-CD2 3.92Å; L134-L153 HydrophobicContact CD1-CG 4.14Å; V150-L153 HydrophobicContact CG1-CD1 4.03Å; V150-L153 WeakPolarHBondContact O-CB 3.41Å; V150-L153 WeakPolarHBondContact O-CG 3.48Å; V150-L153 PolarHBondContact O-N 3.33Å; D151-L153 VanDerWaalsContact C-N 3.34Å
154	Y	84.3	Confident	79.9	Confident	112 Å²	112	75.9 Å²	75.9	44%	0.439	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.7	-179.9	-55.1	-79.2	0	0	0	110.4	H117 M118 K120 Q152 N156	H117-Y154 CarbonylContact C-O 3.58Å; H117-Y154 WeakPolarHBondContact CA-O 3.49Å; M118-Y154 PolarHBondContact N-O 3.19Å; M118-Y154 PolarHBondContact O-N 2.93Å; K120-Y154 HydrophobicContact CG-CE2 3.91Å; Q152-Y154 WeakPolarHBondContact O-CE2 3.37Å; Y154-N156 PolarHBondContact O-N 3.24Å
155	P	85.6	Confident	79.8	Confident	60 Å²	60	77 Å²	77	39%	0.39	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	125.7	175.7	-18.6	29.2	0	0	0	111.3	F157	P155-F157 HydrophobicContact CB-CD2 4.36Å; P155-F157 HydrophobicContact CB-CE1 4.3Å; P155-F157 HydrophobicContact CB-CE2 3.79Å; P155-F157 HydrophobicContact CB-CZ 3.75Å; P155-F157 HydrophobicContact CG-CE2 4.42Å; P155-F157 HydrophobicContact CG-CZ 4.3Å; P155-F157 WeakPolarHBondContact O-CD2 3.36Å; P155-F157 PolarHBondContact O-N 3.34Å
156	N	85.4	Confident	79.5	Confident	21 Å²	21	74.9 Å²	74.9	11%	0.112	38%	0.376	C	S	.	.			trans	-95.9	77	-179.4	-170.3	-15.6	0	0	0	110.6	A116 M118 S124 Y154 L158 V159 N160	A116-N156 HydrophobicContact CB-CB 4.13Å; A116-N156 PolarHBondContact O-N 3.16Å; M118-N156 HydrophobicContact CB-CB 4.42Å; M118-N156 HydrophobicContact SD-CB 4.24Å; S124-N156 PolarHBondContact OG-ND2 3.07Å; Y154-N156 PolarHBondContact O-N 3.24Å; N156-L158 PolarHBondContact O-N 3.2Å; N156-V159 HydrophobicContact CB-CB 4.41Å; N156-V159 WeakPolarHBondContact ND2-CG2 3.41Å; N156-V159 PolarHBondContact O-N 3.15Å; N156-V159 PolarHBondContact OD1-N 3.14Å; N156-N160 PolarHBondContact O-N 3.31Å; N156-N160 VanDerWaalsContact O-N 3.14Å; N156-N160 PolarHBondContact O-ND2 3.49Å
157	F	85.1	Confident	79.1	Confident	152 Å²	152	75.1 Å²	75.1	67%	0.667	38%	0.375	S	S	*	.	H	α-helix	trans	-56.3	-33.9	-179.2	-60.7	-77.4	0	0	0	113.6	P155 N160 E161	P155-F157 HydrophobicContact CB-CD2 4.36Å; P155-F157 HydrophobicContact CB-CE1 4.3Å; P155-F157 HydrophobicContact CB-CE2 3.79Å; P155-F157 HydrophobicContact CB-CZ 3.75Å; P155-F157 HydrophobicContact CG-CE2 4.42Å; P155-F157 HydrophobicContact CG-CZ 4.3Å; P155-F157 WeakPolarHBondContact O-CD2 3.36Å; P155-F157 PolarHBondContact O-N 3.34Å; F157-N160 PolarHBondContact O-N 3.42Å; F157-E161 PolarHBondContact O-N 2.96Å
158	L	82	Confident	78.6	Confident	129 Å²	129	80.9 Å²	80.9	68%	0.675	40%	0.401	S	S	*	.	H	α-helix	trans	-65.7	-42.3	179.2	-167.7	82.3	0	0	0	111.8	N156 L162	N156-L158 PolarHBondContact O-N 3.2Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 2.95Å; L158-L162 VanDerWaalsContact O-N 3.15Å
159	V	82.6	Confident	78.5	Confident	25 Å²	25	83 Å²	83	15%	0.152	40%	0.401	C	S	.	.	H	α-helix	trans	-69.4	-37.8	175.9	170.8	0	0	0	0	110.8	A116 N156 L162 I163	A116-V159 HydrophobicContact CB-CB 3.94Å; A116-V159 HydrophobicContact CB-CG1 3.7Å; N156-V159 HydrophobicContact CB-CB 4.41Å; N156-V159 WeakPolarHBondContact ND2-CG2 3.41Å; N156-V159 PolarHBondContact O-N 3.15Å; N156-V159 PolarHBondContact OD1-N 3.14Å; V159-L162 PolarHBondContact O-N 2.81Å; V159-I163 HydrophobicContact CG1-CD1 3.67Å; V159-I163 HydrophobicContact CG1-CG1 4.24Å; V159-I163 WeakPolarHBondContact O-CB 3.32Å; V159-I163 VanDerWaalsContact O-CG1 3.26Å; V159-I163 WeakPolarHBondContact O-CG1 3.29Å; V159-I163 PolarHBondContact O-N 2.92Å
160	N	83.3	Confident	77.8	Confident	33 Å²	33	81.3 Å²	81.3	18%	0.176	40%	0.396	C	S	.	.	H	α-helix	trans	-60.9	-46	174.5	-69.6	-36.1	0	0	0	112.4	A116 N156 F157 L162 I163 L164	A116-N160 WeakPolarHBondContact CB-OD1 3.18Å; A116-N160 PolarHBondContact N-OD1 2.95Å; N156-N160 PolarHBondContact O-N 3.31Å; N156-N160 VanDerWaalsContact O-N 3.14Å; N156-N160 PolarHBondContact O-ND2 3.49Å; F157-N160 PolarHBondContact O-N 3.42Å; N160-L162 PolarHBondContact O-N 3.06Å; N160-I163 PolarHBondContact O-N 3.4Å; N160-L164 WeakPolarHBondContact O-CB 3.26Å; N160-L164 VanDerWaalsContact O-CG 3.3Å; N160-L164 WeakPolarHBondContact O-CG 3.43Å; N160-L164 PolarHBondContact O-N 3.43Å
161	E	82.6	Confident	77.2	Confident	137 Å²	137	83.9 Å²	83.9	64%	0.64	41%	0.405	S	S	*	.	H	α-helix	trans	-54	-49.4	172.7	-89.5	-91.9	123.8	0	0	112.2	F157 I163 L164 K165	F157-E161 PolarHBondContact O-N 2.96Å; E161-I163 PolarHBondContact O-N 2.96Å; E161-L164 PolarHBondContact O-N 3.33Å; E161-K165 WeakPolarHBondContact O-CB 3.35Å; E161-K165 PolarHBondContact O-N 2.83Å
162	L	81.6	Confident	76.3	Confident	83 Å²	83	82.3 Å²	82.3	44%	0.435	39%	0.393	S	S	.	.	H	α-helix	trans	-65.5	-38.8	-179.4	-69.3	170.4	0	0	0	112.2	F104 L158 V159 N160 K165 Q166	F104-L162 HydrophobicContact CE1-CB 3.65Å; F104-L162 HydrophobicContact CE1-CD1 4.35Å; F104-L162 HydrophobicContact CZ-CB 4.08Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 2.95Å; L158-L162 VanDerWaalsContact O-N 3.15Å; V159-L162 PolarHBondContact O-N 2.81Å; N160-L162 PolarHBondContact O-N 3.06Å; L162-K165 PolarHBondContact O-N 3.44Å; L162-Q166 WeakPolarHBondContact O-CB 3.24Å; L162-Q166 PolarHBondContact O-N 3.33Å
163	I	80.9	Confident	75.4	Confident	5 Å²	5	88.8 Å²	88.8	3%	0.026	42%	0.421	C	S	.	.	H	α-helix	trans	-66.7	-44.9	176.7	-72.4	177	0	0	0	111.4	F104 M112 I113 V159 N160 E161 K165 Q166 K167	F104-I163 HydrophobicContact CB-CD1 4.22Å; F104-I163 HydrophobicContact CB-CG1 3.95Å; F104-I163 HydrophobicContact CD1-CD1 4.13Å; F104-I163 HydrophobicContact CD1-CG1 3.46Å; F104-I163 VanDerWaalsContact CD1-CG1 3.46Å; F104-I163 HydrophobicContact CE1-CG1 4.31Å; F104-I163 HydrophobicContact CG-CG1 3.98Å; M112-I163 HydrophobicContact CG-CG2 3.89Å; M112-I163 HydrophobicContact SD-CG2 3.85Å; I113-I163 HydrophobicContact CB-CD1 3.65Å; I113-I163 HydrophobicContact CG2-CD1 4.37Å; I113-I163 WeakPolarHBondContact O-CD1 3.26Å; V159-I163 HydrophobicContact CG1-CD1 3.67Å; V159-I163 HydrophobicContact CG1-CG1 4.24Å; V159-I163 WeakPolarHBondContact O-CB 3.32Å; V159-I163 VanDerWaalsContact O-CG1 3.26Å; V159-I163 WeakPolarHBondContact O-CG1 3.29Å; V159-I163 PolarHBondContact O-N 2.92Å; N160-I163 PolarHBondContact O-N 3.4Å; E161-I163 PolarHBondContact O-N 2.96Å; I163-K165 VanDerWaalsContact C-N 3.29Å; I163-K165 PolarHBondContact O-N 3.15Å; I163-Q166 PolarHBondContact O-N 2.97Å; I163-Q166 VanDerWaalsContact O-N 3.15Å; I163-K167 HydrophobicContact CG2-CD 4.38Å; I163-K167 HydrophobicContact CG2-CG 4.47Å; I163-K167 WeakPolarHBondContact O-CG 3.44Å; I163-K167 PolarHBondContact O-N 2.94Å
164	L	78.6	Confident	73.9	Confident	102 Å²	102	97.3 Å²	97.3	53%	0.534	45%	0.452	S	S	.	.	H	α-helix	trans	-58.8	-43.1	175.7	-72.4	167.7	0	0	0	111.1	N160 E161 Q166 K167 Q168	N160-L164 WeakPolarHBondContact O-CB 3.26Å; N160-L164 VanDerWaalsContact O-CG 3.3Å; N160-L164 WeakPolarHBondContact O-CG 3.43Å; N160-L164 PolarHBondContact O-N 3.43Å; E161-L164 PolarHBondContact O-N 3.33Å; L164-Q166 VanDerWaalsContact C-N 3.32Å; L164-Q166 PolarHBondContact O-N 3.29Å; L164-K167 PolarHBondContact O-N 3.09Å; L164-Q168 WeakPolarHBondContact O-CG 3.31Å; L164-Q168 PolarHBondContact O-N 3.3Å
165	K	79.3	Confident	72.1	Confident	129 Å²	129	98 Å²	98	56%	0.561	46%	0.463	S	S	*	.	H	α-helix	trans	-65.8	-32.4	176.7	-161.9	168.2	-168.8	164.7	0	113.1	E161 L162 I163 R169	E161-K165 WeakPolarHBondContact O-CB 3.35Å; E161-K165 PolarHBondContact O-N 2.83Å; L162-K165 PolarHBondContact O-N 3.44Å; I163-K165 VanDerWaalsContact C-N 3.29Å; I163-K165 PolarHBondContact O-N 3.15Å; K165-R169 PolarHBondContact O-N 3.25Å
166	Q	75.8	Confident	70.1	Confident	75 Å²	75	101.4 Å²	101.4	35%	0.35	47%	0.472	S	S	.	.	H	α-helix	trans	-75.5	-39.8	174.3	-174	69	-14	0	0	112.1	L162 I163 L164 R169 S170	L162-Q166 WeakPolarHBondContact O-CB 3.24Å; L162-Q166 PolarHBondContact O-N 3.33Å; I163-Q166 PolarHBondContact O-N 2.97Å; I163-Q166 VanDerWaalsContact O-N 3.15Å; L164-Q166 VanDerWaalsContact C-N 3.32Å; L164-Q166 PolarHBondContact O-N 3.29Å; Q166-R169 PolarHBondContact O-N 2.68Å; Q166-S170 PolarHBondContact O-N 2.88Å; Q166-S170 VanDerWaalsContact O-N 3.09Å
167	K	72.6	Confident	68.1	Low	70 Å²	70	107 Å²	107	30%	0.304	50%	0.501	S	S	.	.	H	α-helix	trans	-58	-51	171.8	-74.3	-174.8	178	-177.1	0	110.6	M112 I163 L164 R169 S170 E171	M112-K167 HydrophobicContact SD-CD 4.13Å; M112-K167 WeakPolarHBondContact SD-CE 3.41Å; M112-K167 HydrophobicContact SD-CG 3.58Å; M112-K167 VanDerWaalsContact SD-CG 3.58Å; I163-K167 HydrophobicContact CG2-CD 4.38Å; I163-K167 HydrophobicContact CG2-CG 4.47Å; I163-K167 WeakPolarHBondContact O-CG 3.44Å; I163-K167 PolarHBondContact O-N 2.94Å; L164-K167 PolarHBondContact O-N 3.09Å; K167-R169 VanDerWaalsContact C-N 3.34Å; K167-R169 PolarHBondContact O-N 3.38Å; K167-S170 WeakPolarHBondContact O-CA 3.46Å; K167-S170 WeakPolarHBondContact O-CB 3.46Å; K167-S170 PolarHBondContact O-N 3.25Å; K167-S170 PolarHBondContact O-OG 3.41Å; K167-E171 PolarHBondContact O-N 3.03Å
168	Q	70.3	Confident	65.9	Low	125 Å²	125	106.1 Å²	106.1	58%	0.584	50%	0.503	S	S	*	.	H	α-helix	trans	-54.3	-44.9	176.1	-74.8	175.1	-7.5	0	0	112.8	L164 S170 E171 E172	L164-Q168 WeakPolarHBondContact O-CG 3.31Å; L164-Q168 PolarHBondContact O-N 3.3Å; Q168-S170 VanDerWaalsContact C-N 3.3Å; Q168-S170 PolarHBondContact O-N 2.64Å; Q168-E171 PolarHBondContact O-N 3.05Å; Q168-E172 WeakPolarHBondContact O-CB 3.46Å; Q168-E172 PolarHBondContact O-N 3.45Å
169	R	65.8	Low	63.7	Low	155 Å²	155	106.7 Å²	106.7	59%	0.585	50%	0.502	S	S	*	.	H	α-helix	trans	-61.3	-35.2	174.6	-80.8	179	171.7	179.6	-3	113.5	K165 Q166 K167 K173	K165-R169 PolarHBondContact O-N 3.25Å; Q166-R169 PolarHBondContact O-N 2.68Å; K167-R169 VanDerWaalsContact C-N 3.34Å; K167-R169 PolarHBondContact O-N 3.38Å; R169-K173 WeakPolarHBondContact O-CG 3.47Å; R169-K173 PolarHBondContact O-N 3.33Å
170	S	60.2	Low	61.7	Low	62 Å²	62	111.5 Å²	111.5	43%	0.434	53%	0.533	S	S	.	.	H	α-helix	trans	-72.9	-36.3	177.8	76.2	0	0	0	0	112.1	Q166 K167 Q168 K173 R174	Q166-S170 PolarHBondContact O-N 2.88Å; Q166-S170 VanDerWaalsContact O-N 3.09Å; K167-S170 WeakPolarHBondContact O-CA 3.46Å; K167-S170 WeakPolarHBondContact O-CB 3.46Å; K167-S170 PolarHBondContact O-N 3.25Å; K167-S170 PolarHBondContact O-OG 3.41Å; Q168-S170 VanDerWaalsContact C-N 3.3Å; Q168-S170 PolarHBondContact O-N 2.64Å; S170-K173 PolarHBondContact O-N 3.15Å; S170-R174 PolarHBondContact O-N 3.37Å; S170-R174 VanDerWaalsContact O-N 3.15Å
171	E	56.6	Low	59.8	Low	108 Å²	108	117.3 Å²	117.3	51%	0.505	56%	0.564	S	S	.	*	H	α-helix	trans	-70.8	-42.1	175.7	-67.7	171	151.7	0	0	111.3	K167 Q168 K173 R174 L175	K167-E171 PolarHBondContact O-N 3.03Å; Q168-E171 PolarHBondContact O-N 3.05Å; E171-K173 PolarHBondContact O-N 3.5Å; E171-R174 PolarHBondContact O-N 2.9Å; E171-R174 VanDerWaalsContact O-N 3.09Å; E171-L175 WeakPolarHBondContact O-CB 3.46Å; E171-L175 WeakPolarHBondContact O-CG 3.33Å; E171-L175 PolarHBondContact O-N 3.5Å
172	E	52.8	Low	57.5	Low	107 Å²	107	118.6 Å²	118.6	50%	0.5	56%	0.564	S	S	.	*	H	α-helix	trans	-57.5	-34.3	171.9	-114.2	-152.1	118.3	0	0	112.7	Q168 K176	Q168-E172 WeakPolarHBondContact O-CB 3.46Å; Q168-E172 PolarHBondContact O-N 3.45Å; E172-K176 VanDerWaalsContact O-CD 3.24Å; E172-K176 WeakPolarHBondContact O-CD 3.27Å; E172-K176 WeakPolarHBondContact O-CE 3.24Å; E172-K176 VanDerWaalsContact O-CG 3.23Å; E172-K176 WeakPolarHBondContact O-CG 3.39Å; E172-K176 WeakPolarHBondContact OE1-CE 3.45Å; E172-K176 IonicContact OE1-NZ 2.73Å; E172-K176 PolarHBondContact OE1-NZ 3.21Å
173	K	54.3	Low	56.1	Low	159 Å²	159	117.4 Å²	117.4	69%	0.691	56%	0.561	S	S	*	*	H	α-helix	trans	-70	-43.6	174.2	-78.5	-176.4	175.4	-169.1	0	111.6	R169 S170 E171 K176 L177	R169-K173 WeakPolarHBondContact O-CG 3.47Å; R169-K173 PolarHBondContact O-N 3.33Å; S170-K173 PolarHBondContact O-N 3.15Å; E171-K173 PolarHBondContact O-N 3.5Å; K173-K176 PolarHBondContact O-N 2.72Å; K173-L177 VanDerWaalsContact O-CD1 3.27Å; K173-L177 WeakPolarHBondContact O-CD1 3.23Å
174	R	51.5	Low	54.9	Low	194 Å²	194	123.3 Å²	123.3	73%	0.732	58%	0.583	S	S	*	*	H	α-helix	trans	-63.9	-48.3	178.2	-70	-176.8	69.7	168.9	1.6	111.9	S170 E171 K176 L177	S170-R174 PolarHBondContact O-N 3.37Å; S170-R174 VanDerWaalsContact O-N 3.15Å; E171-R174 PolarHBondContact O-N 2.9Å; E171-R174 VanDerWaalsContact O-N 3.09Å; R174-K176 PolarHBondContact O-N 2.59Å; R174-L177 PolarHBondContact O-N 3.21Å
175	L	46.7	Very low	53.7	Low	128 Å²	128	122.1 Å²	122.1	67%	0.67	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-17.2	-179.2	-70.7	166.4	0	0	0	113.9	E171	E171-L175 WeakPolarHBondContact O-CB 3.46Å; E171-L175 WeakPolarHBondContact O-CG 3.33Å; E171-L175 PolarHBondContact O-N 3.5Å
176	K	43.7	Very low	52.6	Low	131 Å²	131	120.4 Å²	120.4	57%	0.57	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-9.3	176.5	-72.2	169.4	-167	172.6	0	114.1	E172 K173 R174	E172-K176 VanDerWaalsContact O-CD 3.24Å; E172-K176 WeakPolarHBondContact O-CD 3.27Å; E172-K176 WeakPolarHBondContact O-CE 3.24Å; E172-K176 VanDerWaalsContact O-CG 3.23Å; E172-K176 WeakPolarHBondContact O-CG 3.39Å; E172-K176 WeakPolarHBondContact OE1-CE 3.45Å; E172-K176 IonicContact OE1-NZ 2.73Å; E172-K176 PolarHBondContact OE1-NZ 3.21Å; K173-K176 PolarHBondContact O-N 2.72Å; R174-K176 PolarHBondContact O-N 2.59Å
177	L	44.6	Very low	51.9	Low	139 Å²	139	119.2 Å²	119.2	73%	0.728	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-30.3	174.7	-88.5	82.8	0	0	0	113.5	K173 R174 H179	K173-L177 VanDerWaalsContact O-CD1 3.27Å; K173-L177 WeakPolarHBondContact O-CD1 3.23Å; R174-L177 PolarHBondContact O-N 3.21Å; L177-H179 VanDerWaalsContact C-N 3.33Å; L177-H179 PolarHBondContact O-N 3.21Å
178	D	37.6	Very low	51.1	Low	132 Å²	132	117.6 Å²	117.6	71%	0.706	56%	0.556	S	S	*	*	S	Bend	trans	-83.3	1	-166.6	-66.4	-42.8	0	0	0	115.1	P180	D178-P180 WeakPolarHBondContact O-CD 3.18Å
179	H	37	Very low	50.5	Low	141 Å²	141	118 Å²	118	65%	0.653	56%	0.558	S	S	*	*			trans	-89.5	114.2	-172.7	-135.9	-49.5	0	0	0	112.9	L177 N181 W182	L177-H179 VanDerWaalsContact C-N 3.33Å; L177-H179 PolarHBondContact O-N 3.21Å; H179-N181 PolarHBondContact O-N 3.21Å; H179-W182 PolarHBondContact O-N 3.43Å
180	P	40.4	Very low	50.2	Low	126 Å²	126	115.2 Å²	115.2	82%	0.818	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-3.6	-163.9	-25.5	36	0	0	0	118.2	D178	D178-P180 WeakPolarHBondContact O-CD 3.18Å
181	N	42.2	Very low	50.3	Low	155 Å²	155	113.1 Å²	113.1	83%	0.829	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.5	10.9	-169.5	-123.7	-8.1	0	0	0	114	H179	H179-N181 PolarHBondContact O-N 3.21Å
182	W	34.6	Very low	50.4	Low	165 Å²	165	112.6 Å²	112.6	63%	0.625	54%	0.538	S	S	*	.	S	Bend	trans	-69.9	142.4	171.4	-164	-97.1	0	0	0	110.3	H179 R184	H179-W182 PolarHBondContact O-N 3.43Å; W182-R184 PolarHBondContact O-N 2.93Å
183	P	52.2	Low	50.6	Low	58 Å²	58	109.7 Å²	109.7	38%	0.377	53%	0.53	S	S	.	.			trans	-67.6	98.4	-178.6	-22.2	35.8	0	0	0	112	W185 Q186	P183-W185 PolarHBondContact O-N 2.96Å; P183-Q186 HydrophobicContact CB-CG 4.39Å; P183-Q186 PolarHBondContact O-N 3.45Å
184	R	56.8	Low	50.5	Low	129 Å²	129	108.1 Å²	108.1	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-48.9	-18.9	174.3	-80.2	176.8	163.9	-153.9	-6.6	114.9	W182 F188 L210	W182-R184 PolarHBondContact O-N 2.93Å; R184-F188 PolarHBondContact O-N 3.34Å; R184-L210 HydrophobicContact CB-CD2 3.98Å; R184-L210 HydrophobicContact CG-CD2 4.13Å
185	W	53.3	Low	50.5	Low	77 Å²	77	106 Å²	106	29%	0.292	54%	0.539	S	S	.	.	H	α-helix	trans	-76.2	-27.6	174.6	-70.5	93.7	0	0	0	114.6	P183 F188 Q189 K214	P183-W185 PolarHBondContact O-N 2.96Å; W185-F188 HydrophobicContact CE3-CB 4.36Å; W185-F188 HydrophobicContact CE3-CG 4.4Å; W185-F188 HydrophobicContact CZ3-CD1 4.41Å; W185-F188 HydrophobicContact CZ3-CD2 4.31Å; W185-F188 HydrophobicContact CZ3-CG 4.19Å; W185-F188 WeakPolarHBondContact O-CB 3.39Å; W185-F188 PolarHBondContact O-N 2.93Å; W185-Q189 WeakPolarHBondContact O-CG 3.49Å; W185-Q189 PolarHBondContact O-N 2.97Å; W185-K214 HydrophobicContact CH2-CB 3.57Å; W185-K214 HydrophobicContact CH2-CD 4.33Å; W185-K214 HydrophobicContact CH2-CG 3.6Å; W185-K214 HydrophobicContact CZ2-CB 3.49Å; W185-K214 VanDerWaalsContact CZ2-CB 3.49Å; W185-K214 HydrophobicContact CZ2-CD 3.69Å; W185-K214 HydrophobicContact CZ2-CG 3.45Å; W185-K214 VanDerWaalsContact CZ2-CG 3.45Å
186	Q	56.2	Low	51	Low	93 Å²	93	103.9 Å²	103.9	44%	0.435	53%	0.526	S	S	.	.	H	α-helix	trans	-72.3	-41.7	172.5	-69.8	175.9	-89.7	0	0	109.6	P183 F188 Q189 D190	P183-Q186 HydrophobicContact CB-CG 4.39Å; P183-Q186 PolarHBondContact O-N 3.45Å; Q186-F188 PolarHBondContact O-N 2.94Å; Q186-Q189 CarbonylContact O-C 3.54Å; Q186-Q189 WeakPolarHBondContact O-CA 3.39Å; Q186-Q189 WeakPolarHBondContact O-CB 3.49Å; Q186-Q189 PolarHBondContact O-N 2.88Å; Q186-D190 PolarHBondContact O-N 3.3Å; Q186-D190 VanDerWaalsContact O-OD2 3.12Å
187	V	60.1	Low	51.5	Low	50 Å²	50	106.4 Å²	106.4	30%	0.303	54%	0.54	S	S	.	.	H	α-helix	trans	-53.8	-39.2	171.3	-174.3	0	0	0	0	112	D190 I191	V187-D190 PolarHBondContact O-N 3.46Å; V187-I191 HydrophobicContact CG1-CD1 3.95Å; V187-I191 WeakPolarHBondContact O-CB 3.29Å; V187-I191 WeakPolarHBondContact O-CD1 3.37Å; V187-I191 VanDerWaalsContact O-CG1 3.25Å; V187-I191 WeakPolarHBondContact O-CG1 3.39Å; V187-I191 PolarHBondContact O-N 3.06Å
188	F	55.7	Low	52.1	Low	35 Å²	35	106.6 Å²	106.6	15%	0.154	54%	0.541	C	S	.	.	H	α-helix	trans	-64.9	-36.3	174.6	-169.6	-82.7	0	0	0	113.1	R184 W185 Q186 L192 M207 L211	R184-F188 PolarHBondContact O-N 3.34Å; W185-F188 HydrophobicContact CE3-CB 4.36Å; W185-F188 HydrophobicContact CE3-CG 4.4Å; W185-F188 HydrophobicContact CZ3-CD1 4.41Å; W185-F188 HydrophobicContact CZ3-CD2 4.31Å; W185-F188 HydrophobicContact CZ3-CG 4.19Å; W185-F188 WeakPolarHBondContact O-CB 3.39Å; W185-F188 PolarHBondContact O-N 2.93Å; Q186-F188 PolarHBondContact O-N 2.94Å; F188-L192 HydrophobicContact CD1-CD1 3.8Å; F188-L192 HydrophobicContact CE1-CD1 3.43Å; F188-L192 VanDerWaalsContact CE1-CD1 3.43Å; F188-L192 HydrophobicContact CZ-CD1 4.19Å; F188-L192 WeakPolarHBondContact O-CG 3.4Å; F188-L192 PolarHBondContact O-N 3.47Å; F188-M207 HydrophobicContact CD2-CG 3.96Å; F188-M207 HydrophobicContact CE2-CG 3.36Å; F188-M207 HydrophobicContact CE2-SD 4.21Å; F188-M207 HydrophobicContact CZ-CG 4.02Å; F188-M207 HydrophobicContact CZ-SD 4.32Å; F188-L211 HydrophobicContact CE2-CD1 4.11Å; F188-L211 HydrophobicContact CE2-CD2 3.87Å; F188-L211 HydrophobicContact CE2-CG 3.77Å; F188-L211 HydrophobicContact CZ-CD1 4.3Å; F188-L211 HydrophobicContact CZ-CD2 3.89Å; F188-L211 HydrophobicContact CZ-CG 4.19Å
189	Q	58.4	Low	53.5	Low	134 Å²	134	103.4 Å²	103.4	63%	0.626	52%	0.524	S	S	*	.	H	α-helix	trans	-75.8	-37.9	174.5	-65	-174.2	-85.8	0	0	112	W185 Q186 L192 S193	W185-Q189 WeakPolarHBondContact O-CG 3.49Å; W185-Q189 PolarHBondContact O-N 2.97Å; Q186-Q189 CarbonylContact O-C 3.54Å; Q186-Q189 WeakPolarHBondContact O-CA 3.39Å; Q186-Q189 WeakPolarHBondContact O-CB 3.49Å; Q186-Q189 PolarHBondContact O-N 2.88Å; Q189-L192 CarbonylContact O-C 3.49Å; Q189-L192 PolarHBondContact O-N 3.3Å; Q189-L192 VanDerWaalsContact O-N 3.11Å; Q189-S193 PolarHBondContact O-N 3.04Å
190	D	60.1	Low	55.4	Low	97 Å²	97	101.3 Å²	101.3	52%	0.519	52%	0.518	S	S	.	.	H	α-helix	trans	-65.2	-38.4	179	-59.1	-32.9	0	0	0	110.9	Q186 V187 L192 S193	Q186-D190 PolarHBondContact O-N 3.3Å; Q186-D190 VanDerWaalsContact O-OD2 3.12Å; V187-D190 PolarHBondContact O-N 3.46Å; D190-L192 VanDerWaalsContact C-N 3.31Å; D190-L192 PolarHBondContact O-N 2.81Å; D190-S193 WeakPolarHBondContact O-CB 3.44Å; D190-S193 PolarHBondContact O-N 3.07Å; D190-S193 PolarHBondContact O-OG 3.48Å
191	I	60.8	Low	57.1	Low	18 Å²	18	100.9 Å²	100.9	9%	0.092	51%	0.508	C	S	.	.	H	α-helix	trans	-66	-31.3	172.1	-71.4	167.3	0	0	0	112	V187 S193 L199 N203 L206	V187-I191 HydrophobicContact CG1-CD1 3.95Å; V187-I191 WeakPolarHBondContact O-CB 3.29Å; V187-I191 WeakPolarHBondContact O-CD1 3.37Å; V187-I191 VanDerWaalsContact O-CG1 3.25Å; V187-I191 WeakPolarHBondContact O-CG1 3.39Å; V187-I191 PolarHBondContact O-N 3.06Å; I191-S193 VanDerWaalsContact C-N 3.27Å; I191-S193 PolarHBondContact O-N 2.88Å; I191-L199 HydrophobicContact CG2-CD2 4.09Å; I191-L199 HydrophobicContact CG2-CG 4.43Å; I191-N203 HydrophobicContact CG2-CB 4.49Å; I191-L206 HydrophobicContact CD1-CD2 4.45Å
192	L	58.6	Low	58.7	Low	96 Å²	96	96.2 Å²	96.2	50%	0.503	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	18.6	176.9	-69.1	172.9	0	0	0	113.2	F188 Q189 D190 M207	F188-L192 HydrophobicContact CD1-CD1 3.8Å; F188-L192 HydrophobicContact CE1-CD1 3.43Å; F188-L192 VanDerWaalsContact CE1-CD1 3.43Å; F188-L192 HydrophobicContact CZ-CD1 4.19Å; F188-L192 WeakPolarHBondContact O-CG 3.4Å; F188-L192 PolarHBondContact O-N 3.47Å; Q189-L192 CarbonylContact O-C 3.49Å; Q189-L192 PolarHBondContact O-N 3.3Å; Q189-L192 VanDerWaalsContact O-N 3.11Å; D190-L192 VanDerWaalsContact C-N 3.31Å; D190-L192 PolarHBondContact O-N 2.81Å; L192-M207 HydrophobicContact CD2-SD 4.47Å
193	S	57.2	Low	60.7	Low	46 Å²	46	90.7 Å²	90.7	32%	0.322	47%	0.474	S	S	.	.			trans	-61	137.7	171.9	-61.4	0	0	0	0	110.4	Q189 D190 I191 D195 Q196	Q189-S193 PolarHBondContact O-N 3.04Å; D190-S193 WeakPolarHBondContact O-CB 3.44Å; D190-S193 PolarHBondContact O-N 3.07Å; D190-S193 PolarHBondContact O-OG 3.48Å; I191-S193 VanDerWaalsContact C-N 3.27Å; I191-S193 PolarHBondContact O-N 2.88Å; S193-D195 PolarHBondContact O-N 3.43Å; S193-Q196 PolarHBondContact O-N 2.82Å
194	P	53.3	Low	62	Low	126 Å²	126	90.2 Å²	90.2	82%	0.818	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.5	-174.2	26.5	-35.5	0	0	0	114.4	Q196	P194-Q196 VanDerWaalsContact C-N 3.28Å; P194-Q196 PolarHBondContact O-N 3.09Å
195	D	51.2	Low	63.1	Low	149 Å²	149	88.1 Å²	88.1	80%	0.797	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	5	178.7	-48.9	-42.3	0	0	0	113.7	S193	S193-D195 PolarHBondContact O-N 3.43Å
196	Q	56.7	Low	64.5	Low	85 Å²	85	87.3 Å²	87.3	40%	0.397	47%	0.469	S	S	.	.			trans	-98	76.3	179.4	-71.2	-86.5	-90.1	0	0	111.8	S193 P194 N198 L199	S193-Q196 PolarHBondContact O-N 2.82Å; P194-Q196 VanDerWaalsContact C-N 3.28Å; P194-Q196 PolarHBondContact O-N 3.09Å; Q196-N198 PolarHBondContact O-N 3.16Å; Q196-N198 VanDerWaalsContact O-N 3.15Å; Q196-L199 HydrophobicContact CB-CD1 4.08Å
197	E	54.5	Low	65.5	Low	183 Å²	183	84.7 Å²	84.7	86%	0.855	46%	0.457	S	S	*	.	S	Bend	trans	-63.7	-17.9	179.1	-66.4	-168.1	149.2	0	0	114.6
198	N	57.1	Low	66.6	Low	143 Å²	143	86.6 Å²	86.6	77%	0.765	47%	0.465	S	S	*	.			trans	-136.9	115.5	175.8	-74.4	-85.1	0	0	0	110.9	Q196	Q196-N198 PolarHBondContact O-N 3.16Å; Q196-N198 VanDerWaalsContact O-N 3.15Å
199	L	68.2	Low	68	Low	65 Å²	65	90.6 Å²	90.6	34%	0.34	49%	0.485	S	S	.	.			trans	-85.8	120.6	168	-98	71.3	0	0	0	110	I191 Q196 V204	I191-L199 HydrophobicContact CG2-CD2 4.09Å; I191-L199 HydrophobicContact CG2-CG 4.43Å; Q196-L199 HydrophobicContact CB-CD1 4.08Å; L199-V204 HydrophobicContact CB-CG2 4.12Å; L199-V204 HydrophobicContact CD2-CG2 4.34Å
200	D	76.6	Confident	69.2	Low	98 Å²	98	84.6 Å²	84.6	52%	0.524	46%	0.457	S	S	.	.			trans	-65.9	151.4	170.4	177.1	44.1	0	0	0	112.1	A202 N203 V204	D200-A202 PolarHBondContact O-N 3.17Å; D200-A202 WeakPolarHBondContact OD2-CB 3.23Å; D200-A202 PolarHBondContact OD2-N 2.99Å; D200-N203 WeakPolarHBondContact O-CA 3.25Å; D200-N203 WeakPolarHBondContact O-CB 3.44Å; D200-N203 PolarHBondContact O-N 2.88Å; D200-V204 PolarHBondContact O-N 2.86Å
201	L	76.1	Confident	70.2	Confident	117 Å²	117	83.6 Å²	83.6	61%	0.613	45%	0.451	S	S	*	.	H	α-helix	trans	-58.8	-31.3	179.4	-177.3	61.3	0	0	0	112.2	V204 N205	L201-V204 PolarHBondContact O-N 3.04Å; L201-N205 WeakPolarHBondContact O-CB 3.39Å; L201-N205 VanDerWaalsContact O-CG 3.27Å; L201-N205 PolarHBondContact O-N 3.45Å; L201-N205 PolarHBondContact O-ND2 2.87Å
202	A	75.6	Confident	71.4	Confident	57 Å²	57	86.2 Å²	86.2	47%	0.471	47%	0.468	S	S	.	.	H	α-helix	trans	-64.8	-40.7	173.2	0	0	0	0	0	112.1	D200 N205 L206	D200-A202 PolarHBondContact O-N 3.17Å; D200-A202 WeakPolarHBondContact OD2-CB 3.23Å; D200-A202 PolarHBondContact OD2-N 2.99Å; A202-N205 PolarHBondContact O-N 3.3Å; A202-L206 WeakPolarHBondContact O-CB 3.49Å; A202-L206 PolarHBondContact O-N 3.46Å
203	N	77	Confident	72.6	Confident	49 Å²	49	86.6 Å²	86.6	26%	0.262	47%	0.467	S	S	.	.	H	α-helix	trans	-66.9	-41	175.9	-68.9	-12.7	0	0	0	111.1	I191 D200 L206 M207	I191-N203 HydrophobicContact CG2-CB 4.49Å; D200-N203 WeakPolarHBondContact O-CA 3.25Å; D200-N203 WeakPolarHBondContact O-CB 3.44Å; D200-N203 PolarHBondContact O-N 2.88Å; N203-L206 PolarHBondContact O-N 2.85Å; N203-M207 VanDerWaalsContact O-CB 3.23Å; N203-M207 WeakPolarHBondContact O-CB 3.48Å; N203-M207 PolarHBondContact O-N 3.24Å
204	V	79.1	Confident	73.8	Confident	47 Å²	47	86.5 Å²	86.5	29%	0.285	46%	0.461	S	S	.	.	H	α-helix	trans	-62.5	-44.6	175.6	178.2	0	0	0	0	111.3	L199 D200 L201 M207 L208	L199-V204 HydrophobicContact CB-CG2 4.12Å; L199-V204 HydrophobicContact CD2-CG2 4.34Å; D200-V204 PolarHBondContact O-N 2.86Å; L201-V204 PolarHBondContact O-N 3.04Å; V204-M207 WeakPolarHBondContact O-CB 3.41Å; V204-M207 PolarHBondContact O-N 2.9Å; V204-L208 HydrophobicContact CG1-CD1 4.14Å; V204-L208 WeakPolarHBondContact O-CG 3.49Å; V204-L208 PolarHBondContact O-N 2.81Å
205	N	80.5	Confident	75.2	Confident	86 Å²	86	86.8 Å²	86.8	46%	0.46	45%	0.449	S	S	.	.	H	α-helix	trans	-65.4	-42.1	178	-73.9	-29.3	0	0	0	112.4	L201 A202 M207 L208 E209	L201-N205 WeakPolarHBondContact O-CB 3.39Å; L201-N205 VanDerWaalsContact O-CG 3.27Å; L201-N205 PolarHBondContact O-N 3.45Å; L201-N205 PolarHBondContact O-ND2 2.87Å; A202-N205 PolarHBondContact O-N 3.3Å; N205-M207 VanDerWaalsContact C-N 3.34Å; N205-L208 PolarHBondContact O-N 3.29Å; N205-E209 PolarHBondContact O-N 2.97Å
206	L	81.9	Confident	76.9	Confident	59 Å²	59	86.3 Å²	86.3	31%	0.309	44%	0.44	S	S	.	.	H	α-helix	trans	-62.1	-42	173.1	177.8	61.8	0	0	0	111.5	I191 A202 N203 E209 L210	I191-L206 HydrophobicContact CD1-CD2 4.45Å; A202-L206 WeakPolarHBondContact O-CB 3.49Å; A202-L206 PolarHBondContact O-N 3.46Å; N203-L206 PolarHBondContact O-N 2.85Å; L206-E209 PolarHBondContact O-N 3.45Å; L206-L210 HydrophobicContact CD1-CD1 4.42Å; L206-L210 HydrophobicContact CD1-CG 4.34Å; L206-L210 HydrophobicContact CG-CD1 4.27Å; L206-L210 WeakPolarHBondContact O-CB 3.48Å; L206-L210 VanDerWaalsContact O-CG 3.29Å; L206-L210 WeakPolarHBondContact O-CG 3.33Å; L206-L210 PolarHBondContact O-N 2.93Å
207	M	77.4	Confident	78.1	Confident	38 Å²	38	85 Å²	85	19%	0.187	43%	0.434	C	S	.	.	H	α-helix	trans	-61.6	-43.6	176.5	-171.3	177.4	63.1	0	0	111.4	F188 L192 N203 V204 N205 L210 L211	F188-M207 HydrophobicContact CD2-CG 3.96Å; F188-M207 HydrophobicContact CE2-CG 3.36Å; F188-M207 HydrophobicContact CE2-SD 4.21Å; F188-M207 HydrophobicContact CZ-CG 4.02Å; F188-M207 HydrophobicContact CZ-SD 4.32Å; L192-M207 HydrophobicContact CD2-SD 4.47Å; N203-M207 VanDerWaalsContact O-CB 3.23Å; N203-M207 WeakPolarHBondContact O-CB 3.48Å; N203-M207 PolarHBondContact O-N 3.24Å; V204-M207 WeakPolarHBondContact O-CB 3.41Å; V204-M207 PolarHBondContact O-N 2.9Å; N205-M207 VanDerWaalsContact C-N 3.34Å; M207-L210 PolarHBondContact O-N 3.42Å; M207-L211 HydrophobicContact CG-CD1 4.25Å; M207-L211 WeakPolarHBondContact O-CB 3.46Å; M207-L211 VanDerWaalsContact O-CG 3.27Å; M207-L211 WeakPolarHBondContact O-CG 3.27Å; M207-L211 PolarHBondContact O-N 2.87Å
208	L	83.6	Confident	79.3	Confident	91 Å²	91	79.3 Å²	79.3	48%	0.476	41%	0.409	S	S	.	.	H	α-helix	trans	-62.9	-43.5	174.1	-72.6	169.2	0	0	0	112.1	V204 N205 L211 V212	V204-L208 HydrophobicContact CG1-CD1 4.14Å; V204-L208 WeakPolarHBondContact O-CG 3.49Å; V204-L208 PolarHBondContact O-N 2.81Å; N205-L208 PolarHBondContact O-N 3.29Å; L208-L211 PolarHBondContact O-N 3.47Å; L208-V212 WeakPolarHBondContact O-CB 3.47Å; L208-V212 WeakPolarHBondContact O-CG2 3.36Å; L208-V212 PolarHBondContact O-N 3.29Å
209	E	84.6	Confident	80.5	Confident	119 Å²	119	76.4 Å²	76.4	56%	0.556	39%	0.391	S	S	*	.	H	α-helix	trans	-62.7	-44.1	177	-165.9	-170.3	168.4	0	0	111.5	N205 L206 L211 V212 Q213	N205-E209 PolarHBondContact O-N 2.97Å; L206-E209 PolarHBondContact O-N 3.45Å; E209-L211 VanDerWaalsContact C-N 3.35Å; E209-L211 PolarHBondContact O-N 3.22Å; E209-V212 PolarHBondContact O-N 3.31Å; E209-Q213 WeakPolarHBondContact O-CB 3.34Å; E209-Q213 PolarHBondContact O-N 2.9Å
210	L	83.8	Confident	81.2	Confident	7 Å²	7	76 Å²	76	4%	0.037	40%	0.397	C	S	.	.	H	α-helix	trans	-62.5	-39.5	176	-69.8	176.2	0	0	0	112.2	R184 L206 M207 Q213 K214	R184-L210 HydrophobicContact CB-CD2 3.98Å; R184-L210 HydrophobicContact CG-CD2 4.13Å; L206-L210 HydrophobicContact CD1-CD1 4.42Å; L206-L210 HydrophobicContact CD1-CG 4.34Å; L206-L210 HydrophobicContact CG-CD1 4.27Å; L206-L210 WeakPolarHBondContact O-CB 3.48Å; L206-L210 VanDerWaalsContact O-CG 3.29Å; L206-L210 WeakPolarHBondContact O-CG 3.33Å; L206-L210 PolarHBondContact O-N 2.93Å; M207-L210 PolarHBondContact O-N 3.42Å; L210-Q213 PolarHBondContact O-N 3.14Å; L210-K214 WeakPolarHBondContact O-CB 3.32Å; L210-K214 PolarHBondContact O-N 2.7Å
211	L	81.4	Confident	81.5	Confident	76 Å²	76	73.9 Å²	73.9	40%	0.398	38%	0.383	S	S	.	.	H	α-helix	trans	-67	-42	174.7	-73.2	167.4	0	0	0	112	F188 M207 L208 E209 K214 K215	F188-L211 HydrophobicContact CE2-CD1 4.11Å; F188-L211 HydrophobicContact CE2-CD2 3.87Å; F188-L211 HydrophobicContact CE2-CG 3.77Å; F188-L211 HydrophobicContact CZ-CD1 4.3Å; F188-L211 HydrophobicContact CZ-CD2 3.89Å; F188-L211 HydrophobicContact CZ-CG 4.19Å; M207-L211 HydrophobicContact CG-CD1 4.25Å; M207-L211 WeakPolarHBondContact O-CB 3.46Å; M207-L211 VanDerWaalsContact O-CG 3.27Å; M207-L211 WeakPolarHBondContact O-CG 3.27Å; M207-L211 PolarHBondContact O-N 2.87Å; L208-L211 PolarHBondContact O-N 3.47Å; E209-L211 VanDerWaalsContact C-N 3.35Å; E209-L211 PolarHBondContact O-N 3.22Å; L211-K214 PolarHBondContact O-N 3.27Å; L211-K215 WeakPolarHBondContact O-CB 3.48Å; L211-K215 PolarHBondContact O-N 3.04Å
212	V	84.6	Confident	81.7	Confident	74 Å²	74	70 Å²	70	45%	0.448	37%	0.366	S	S	.	.	H	α-helix	trans	-65.3	-40.8	175	169.4	0	0	0	0	111.1	L208 E209 K214 K215 K216	L208-V212 WeakPolarHBondContact O-CB 3.47Å; L208-V212 WeakPolarHBondContact O-CG2 3.36Å; L208-V212 PolarHBondContact O-N 3.29Å; E209-V212 PolarHBondContact O-N 3.31Å; V212-K214 VanDerWaalsContact C-N 3.31Å; V212-K214 PolarHBondContact O-N 3.31Å; V212-K215 PolarHBondContact O-N 3.18Å; V212-K216 HydrophobicContact CG1-CD 4.28Å; V212-K216 WeakPolarHBondContact O-CG 3.44Å; V212-K216 PolarHBondContact O-N 2.84Å
213	Q	84.9	Confident	82	Confident	104 Å²	104	72.1 Å²	72.1	49%	0.486	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-39.9	173.3	-168.8	177	31.5	0	0	110.8	E209 L210 Q217	E209-Q213 WeakPolarHBondContact O-CB 3.34Å; E209-Q213 PolarHBondContact O-N 2.9Å; L210-Q213 PolarHBondContact O-N 3.14Å; Q213-Q217 PolarHBondContact O-N 2.87Å
214	K	81.6	Confident	82.3	Confident	44 Å²	44	72 Å²	72	19%	0.191	37%	0.372	C	S	.	.	H	α-helix	trans	-70.6	-41.8	178	-165.9	43.7	179.8	150.6	0	113.3	W185 L210 L211 V212 Q217 L218 E221	W185-K214 HydrophobicContact CH2-CB 3.57Å; W185-K214 HydrophobicContact CH2-CD 4.33Å; W185-K214 HydrophobicContact CH2-CG 3.6Å; W185-K214 HydrophobicContact CZ2-CB 3.49Å; W185-K214 VanDerWaalsContact CZ2-CB 3.49Å; W185-K214 HydrophobicContact CZ2-CD 3.69Å; W185-K214 HydrophobicContact CZ2-CG 3.45Å; W185-K214 VanDerWaalsContact CZ2-CG 3.45Å; L210-K214 WeakPolarHBondContact O-CB 3.32Å; L210-K214 PolarHBondContact O-N 2.7Å; L211-K214 PolarHBondContact O-N 3.27Å; V212-K214 VanDerWaalsContact C-N 3.31Å; V212-K214 PolarHBondContact O-N 3.31Å; K214-Q217 HydrophobicContact CD-CB 4.38Å; K214-Q217 VanDerWaalsContact NZ-CD 3.33Å; K214-Q217 WeakPolarHBondContact O-CB 3.25Å; K214-Q217 PolarHBondContact O-N 3.32Å; K214-L218 HydrophobicContact CD-CD1 4.24Å; K214-L218 HydrophobicContact CD-CG 4.09Å; K214-L218 HydrophobicContact CG-CD1 3.95Å; K214-L218 HydrophobicContact CG-CG 4.31Å; K214-L218 WeakPolarHBondContact O-CG 3.4Å; K214-L218 PolarHBondContact O-N 2.87Å; K214-E221 IonicContact NZ-OE2 2.97Å
215	K	84	Confident	82.4	Confident	132 Å²	132	69.8 Å²	69.8	57%	0.574	36%	0.359	S	S	*	.	H	α-helix	trans	-55	-53.5	174.7	175.7	169	175.2	173.6	0	109.6	L211 V212 Q217 L218 E219	L211-K215 WeakPolarHBondContact O-CB 3.48Å; L211-K215 PolarHBondContact O-N 3.04Å; V212-K215 PolarHBondContact O-N 3.18Å; K215-Q217 VanDerWaalsContact C-N 3.31Å; K215-Q217 PolarHBondContact O-N 2.9Å; K215-L218 PolarHBondContact O-N 2.89Å; K215-L218 VanDerWaalsContact O-N 3.14Å; K215-E219 WeakPolarHBondContact CE-OE1 3.48Å; K215-E219 HydrophobicContact CG-CG 4.32Å; K215-E219 WeakPolarHBondContact CG-OE1 3.41Å; K215-E219 IonicContact NZ-OE1 3.45Å; K215-E219 WeakPolarHBondContact O-CB 3.4Å; K215-E219 VanDerWaalsContact O-CG 3.25Å; K215-E219 WeakPolarHBondContact O-CG 3.47Å; K215-E219 PolarHBondContact O-N 3.42Å
216	K	84.9	Confident	82.5	Confident	138 Å²	138	67.5 Å²	67.5	60%	0.6	35%	0.345	S	S	*	.	H	α-helix	trans	-57.1	-39.7	175.5	-71.3	174.8	179	178	0	113.2	V212 E219 A220	V212-K216 HydrophobicContact CG1-CD 4.28Å; V212-K216 WeakPolarHBondContact O-CG 3.44Å; V212-K216 PolarHBondContact O-N 2.84Å; K216-E219 WeakPolarHBondContact CA-OE2 2.82Å; K216-A220 WeakPolarHBondContact O-CB 3.41Å; K216-A220 PolarHBondContact O-N 2.92Å
217	Q	83.3	Confident	82.6	Confident	59 Å²	59	72.6 Å²	72.6	28%	0.276	36%	0.361	S	S	.	.	H	α-helix	trans	-63.9	-49.2	175	-171.6	-165.5	0.7	0	0	111.8	Q213 K214 K215 E219 A220 E221	Q213-Q217 PolarHBondContact O-N 2.87Å; K214-Q217 HydrophobicContact CD-CB 4.38Å; K214-Q217 VanDerWaalsContact NZ-CD 3.33Å; K214-Q217 WeakPolarHBondContact O-CB 3.25Å; K214-Q217 PolarHBondContact O-N 3.32Å; K215-Q217 VanDerWaalsContact C-N 3.31Å; K215-Q217 PolarHBondContact O-N 2.9Å; Q217-E219 VanDerWaalsContact C-N 3.35Å; Q217-A220 PolarHBondContact O-N 3.39Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.3Å; Q217-E221 PolarHBondContact NE2-OE1 3.07Å; Q217-E221 WeakPolarHBondContact O-CB 3.32Å; Q217-E221 WeakPolarHBondContact O-CG 3.47Å; Q217-E221 PolarHBondContact O-N 3.36Å
218	L	78.8	Confident	83	Confident	63 Å²	63	74 Å²	74	33%	0.33	37%	0.367	S	S	.	.	H	α-helix	trans	-68	-34.2	-178.4	-69.8	170.9	0	0	0	112.1	K214 K215 S222 W315	K214-L218 HydrophobicContact CD-CD1 4.24Å; K214-L218 HydrophobicContact CD-CG 4.09Å; K214-L218 HydrophobicContact CG-CD1 3.95Å; K214-L218 HydrophobicContact CG-CG 4.31Å; K214-L218 WeakPolarHBondContact O-CG 3.4Å; K214-L218 PolarHBondContact O-N 2.87Å; K215-L218 PolarHBondContact O-N 2.89Å; K215-L218 VanDerWaalsContact O-N 3.14Å; L218-S222 VanDerWaalsContact O-CB 3.3Å; L218-S222 WeakPolarHBondContact O-CB 3.33Å; L218-S222 PolarHBondContact O-N 3.28Å; L218-W315 HydrophobicContact CD2-CH2 4.05Å; L218-W315 HydrophobicContact CD2-CZ3 3.83Å
219	E	83.4	Confident	83.1	Confident	82 Å²	82	69.9 Å²	69.9	38%	0.383	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-48.8	171.7	-73.6	166.4	160	0	0	110.8	K215 K216 Q217 S222 Q223	K215-E219 WeakPolarHBondContact CE-OE1 3.48Å; K215-E219 HydrophobicContact CG-CG 4.32Å; K215-E219 WeakPolarHBondContact CG-OE1 3.41Å; K215-E219 IonicContact NZ-OE1 3.45Å; K215-E219 WeakPolarHBondContact O-CB 3.4Å; K215-E219 VanDerWaalsContact O-CG 3.25Å; K215-E219 WeakPolarHBondContact O-CG 3.47Å; K215-E219 PolarHBondContact O-N 3.42Å; K216-E219 WeakPolarHBondContact CA-OE2 2.82Å; Q217-E219 VanDerWaalsContact C-N 3.35Å; E219-S222 PolarHBondContact O-N 3.44Å; E219-Q223 WeakPolarHBondContact O-CB 3.45Å; E219-Q223 VanDerWaalsContact O-CG 3.32Å; E219-Q223 WeakPolarHBondContact O-CG 3.49Å; E219-Q223 PolarHBondContact O-N 3.42Å
220	A	82.8	Confident	83.2	Confident	56 Å²	56	64.8 Å²	64.8	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-63.6	-41.6	176.5	0	0	0	0	0	112.7	K216 Q217 Q223 A224	K216-A220 WeakPolarHBondContact O-CB 3.41Å; K216-A220 PolarHBondContact O-N 2.92Å; Q217-A220 PolarHBondContact O-N 3.39Å; A220-Q223 PolarHBondContact O-N 3.46Å; A220-A224 WeakPolarHBondContact O-CB 3.38Å; A220-A224 PolarHBondContact O-N 2.98Å
221	E	82.6	Confident	83.3	Confident	53 Å²	53	69.2 Å²	69.2	25%	0.248	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-42.7	174.4	-74.8	168.4	179.6	0	0	111.3	K214 Q217 A224 A225 Y316	K214-E221 IonicContact NZ-OE2 2.97Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.3Å; Q217-E221 PolarHBondContact NE2-OE1 3.07Å; Q217-E221 WeakPolarHBondContact O-CB 3.32Å; Q217-E221 WeakPolarHBondContact O-CG 3.47Å; Q217-E221 PolarHBondContact O-N 3.36Å; E221-A224 PolarHBondContact O-N 3.31Å; E221-A225 PolarHBondContact O-N 2.97Å; E221-A225 VanDerWaalsContact O-N 3.07Å; E221-Y316 HydrophobicContact CB-CD2 4.46Å; E221-Y316 WeakPolarHBondContact O-CE2 3.22Å
222	S	79.3	Confident	83.6	Confident	36 Å²	36	68.2 Å²	68.2	25%	0.252	34%	0.336	S	S	.	.	H	α-helix	trans	-67	-40.5	176.9	-169.6	0	0	0	0	112.4	L218 E219 A225 Q226 R323	L218-S222 VanDerWaalsContact O-CB 3.3Å; L218-S222 WeakPolarHBondContact O-CB 3.33Å; L218-S222 PolarHBondContact O-N 3.28Å; E219-S222 PolarHBondContact O-N 3.44Å; S222-A225 PolarHBondContact O-N 3.05Å; S222-Q226 VanDerWaalsContact O-CG 3.29Å; S222-Q226 WeakPolarHBondContact O-CG 3.5Å; S222-Q226 PolarHBondContact O-N 3.01Å; S222-R323 PolarHBondContact O-NH1 3.17Å; S222-R323 PolarHBondContact OG-NH2 2.93Å
223	Q	82	Confident	83.8	Confident	102 Å²	102	64.7 Å²	64.7	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-40.5	174.7	-74.5	179.2	17.5	0	0	112.2	E219 A220 Q226 R227	E219-Q223 WeakPolarHBondContact O-CB 3.45Å; E219-Q223 VanDerWaalsContact O-CG 3.32Å; E219-Q223 WeakPolarHBondContact O-CG 3.49Å; E219-Q223 PolarHBondContact O-N 3.42Å; A220-Q223 PolarHBondContact O-N 3.46Å; Q223-Q226 PolarHBondContact O-N 2.96Å; Q223-R227 WeakPolarHBondContact O-CG 3.28Å; Q223-R227 PolarHBondContact O-N 2.81Å
224	A	84.4	Confident	83.9	Confident	46 Å²	46	61.9 Å²	61.9	38%	0.38	30%	0.303	S	S	.	.	H	α-helix	trans	-60.7	-47.1	174.7	0	0	0	0	0	111	A220 E221 Q226 R227 Q228	A220-A224 WeakPolarHBondContact O-CB 3.38Å; A220-A224 PolarHBondContact O-N 2.98Å; E221-A224 PolarHBondContact O-N 3.31Å; A224-Q226 PolarHBondContact O-N 3.04Å; A224-R227 PolarHBondContact O-N 2.97Å; A224-Q228 WeakPolarHBondContact O-CB 3.38Å; A224-Q228 PolarHBondContact O-N 3.01Å
225	A	81.4	Confident	84.3	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-42	175	0	0	0	0	0	112.3	E221 S222 Q228 I229 Y316 L320	E221-A225 PolarHBondContact O-N 2.97Å; E221-A225 VanDerWaalsContact O-N 3.07Å; S222-A225 PolarHBondContact O-N 3.05Å; A225-Q228 PolarHBondContact O-N 3.2Å; A225-I229 VanDerWaalsContact O-CD1 3.25Å; A225-I229 WeakPolarHBondContact O-CD1 3.37Å; A225-I229 WeakPolarHBondContact O-CG1 3.29Å; A225-I229 PolarHBondContact O-N 2.88Å; A225-Y316 HydrophobicContact CB-CE2 3.88Å; A225-L320 HydrophobicContact CB-CD1 4Å
226	Q	81	Confident	84.5	Confident	37 Å²	37	62 Å²	62	17%	0.173	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-47.5	176.1	-76.3	167.4	-13.1	0	0	112.2	S222 Q223 A224 Q228 I229 L230 S364	S222-Q226 VanDerWaalsContact O-CG 3.29Å; S222-Q226 WeakPolarHBondContact O-CG 3.5Å; S222-Q226 PolarHBondContact O-N 3.01Å; Q223-Q226 PolarHBondContact O-N 2.96Å; A224-Q226 PolarHBondContact O-N 3.04Å; Q226-Q228 VanDerWaalsContact C-N 3.31Å; Q226-Q228 PolarHBondContact O-N 3.15Å; Q226-I229 PolarHBondContact O-N 2.63Å; Q226-L230 WeakPolarHBondContact O-CB 3.29Å; Q226-L230 PolarHBondContact O-N 3.43Å; Q226-S364 PolarHBondContact NE2-OG 3.43Å
227	R	84.4	Confident	84.6	Confident	167 Å²	167	55.7 Å²	55.7	63%	0.63	28%	0.278	S	S	*	.	H	α-helix	trans	-62.1	-39	176.5	-69.9	176.7	-175.6	-159.7	1.9	111.9	Q223 A224 M231	Q223-R227 WeakPolarHBondContact O-CG 3.28Å; Q223-R227 PolarHBondContact O-N 2.81Å; A224-R227 PolarHBondContact O-N 2.97Å; R227-M231 WeakPolarHBondContact O-CB 3.46Å; R227-M231 PolarHBondContact O-N 3.18Å
228	Q	86.8	Confident	84.8	Confident	68 Å²	68	61.3 Å²	61.3	32%	0.318	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-46.6	175.4	-179.9	172.6	-9	0	0	111.8	A224 A225 Q226 L230 M231 E232 Y316 L320	A224-Q228 WeakPolarHBondContact O-CB 3.38Å; A224-Q228 PolarHBondContact O-N 3.01Å; A225-Q228 PolarHBondContact O-N 3.2Å; Q226-Q228 VanDerWaalsContact C-N 3.31Å; Q226-Q228 PolarHBondContact O-N 3.15Å; Q228-L230 PolarHBondContact O-N 2.77Å; Q228-M231 PolarHBondContact O-N 3.46Å; Q228-E232 VanDerWaalsContact CG-OE1 3.28Å; Q228-E232 WeakPolarHBondContact CG-OE1 3.5Å; Q228-E232 PolarHBondContact NE2-OE1 3.28Å; Q228-E232 WeakPolarHBondContact O-CG 3.35Å; Q228-E232 PolarHBondContact O-N 3.31Å; Q228-Y316 PolarHBondContact OE1-OH 3.42Å; Q228-L320 HydrophobicContact CG-CD1 4.41Å
229	I	85.6	Confident	85.4	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-41.3	179.2	-68.1	156.8	0	0	0	111.4	A225 Q226 E232 F233 R323 L327	A225-I229 VanDerWaalsContact O-CD1 3.25Å; A225-I229 WeakPolarHBondContact O-CD1 3.37Å; A225-I229 WeakPolarHBondContact O-CG1 3.29Å; A225-I229 PolarHBondContact O-N 2.88Å; Q226-I229 PolarHBondContact O-N 2.63Å; I229-E232 PolarHBondContact O-N 3.5Å; I229-F233 WeakPolarHBondContact O-CB 3.27Å; I229-F233 PolarHBondContact O-N 2.69Å; I229-R323 HydrophobicContact CD1-CB 3.46Å; I229-R323 VanDerWaalsContact CD1-CB 3.46Å; I229-R323 HydrophobicContact CD1-CG 4.04Å; I229-R323 HydrophobicContact CG1-CB 4.45Å; I229-L327 HydrophobicContact CG2-CD1 3.7Å
230	L	85.4	Confident	85.6	Confident	12 Å²	12	62.1 Å²	62.1	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-42.8	173.4	174.5	60.7	0	0	0	111.7	Q226 Q228 F233 L234 L356 F359 M360 L363	Q226-L230 WeakPolarHBondContact O-CB 3.29Å; Q226-L230 PolarHBondContact O-N 3.43Å; Q228-L230 PolarHBondContact O-N 2.77Å; L230-F233 PolarHBondContact O-N 3.43Å; L230-L234 HydrophobicContact CD1-CD1 3.91Å; L230-L234 HydrophobicContact CD1-CG 4.05Å; L230-L234 HydrophobicContact CG-CD1 4.03Å; L230-L234 WeakPolarHBondContact O-CB 3.35Å; L230-L234 VanDerWaalsContact O-CG 3.28Å; L230-L234 WeakPolarHBondContact O-CG 3.39Å; L230-L234 PolarHBondContact O-N 3.5Å; L230-L356 HydrophobicContact CD1-CD1 4.14Å; L230-L356 HydrophobicContact CD2-CD1 4.11Å; L230-L356 HydrophobicContact CD2-CG 4.36Å; L230-F359 HydrophobicContact CD1-CD1 3.75Å; L230-F359 HydrophobicContact CD1-CE1 3.8Å; L230-M360 HydrophobicContact CD2-CB 4.25Å; L230-M360 HydrophobicContact CD2-CE 3.89Å; L230-M360 HydrophobicContact CD2-CG 4.1Å; L230-L363 HydrophobicContact CB-CD1 4.22Å; L230-L363 HydrophobicContact CD1-CD1 3.86Å
231	M	86.6	Confident	85.9	Confident	99 Å²	99	63.3 Å²	63.3	49%	0.488	29%	0.289	S	S	.	.	H	α-helix	trans	-66.9	-36.1	177.2	-177.5	56.9	59	0	0	112.6	R227 Q228 K235	R227-M231 WeakPolarHBondContact O-CB 3.46Å; R227-M231 PolarHBondContact O-N 3.18Å; Q228-M231 PolarHBondContact O-N 3.46Å; M231-K235 HydrophobicContact CG-CD 4.43Å; M231-K235 WeakPolarHBondContact O-CB 3.4Å; M231-K235 VanDerWaalsContact O-CG 3.27Å; M231-K235 WeakPolarHBondContact O-CG 3.25Å; M231-K235 PolarHBondContact O-N 3.11Å; M231-K235 VanDerWaalsContact O-N 3.17Å; M231-K235 HydrophobicContact SD-CD 4.49Å; M231-K235 HydrophobicContact SD-CG 4.48Å
232	E	87.1	Confident	86.3	Confident	55 Å²	55	69.1 Å²	69.1	26%	0.257	31%	0.309	S	S	.	.	H	α-helix	trans	-66.9	-46.8	173.8	-72.9	170.5	-167.6	0	0	110.8	Q228 I229 L234 K235 E236 R324	Q228-E232 VanDerWaalsContact CG-OE1 3.28Å; Q228-E232 WeakPolarHBondContact CG-OE1 3.5Å; Q228-E232 PolarHBondContact NE2-OE1 3.28Å; Q228-E232 WeakPolarHBondContact O-CG 3.35Å; Q228-E232 PolarHBondContact O-N 3.31Å; I229-E232 PolarHBondContact O-N 3.5Å; E232-L234 PolarHBondContact O-N 3.36Å; E232-K235 PolarHBondContact O-N 3.14Å; E232-E236 WeakPolarHBondContact O-CB 3.29Å; E232-E236 PolarHBondContact O-N 3.11Å; E232-R324 IonicContact OE1-CZ 3.95Å; E232-R324 IonicContact OE1-NE 3.48Å; E232-R324 IonicContact OE1-NH2 2.88Å; E232-R324 PolarHBondContact OE1-NH2 2.83Å; E232-R324 IonicContact OE2-CZ 2.64Å; E232-R324 IonicContact OE2-NE 2.63Å; E232-R324 PolarHBondContact OE2-NE 2.7Å; E232-R324 IonicContact OE2-NH2 3.97Å; E232-R324 PolarHBondContact OE2-NH2 3.32Å
233	F	89.3	Confident	86.8	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.3	-47.5	173.6	172.4	-95.7	0	0	0	113.1	I229 L230 K235 E236 A237 L327 F331 L334 Y338 F359	I229-F233 WeakPolarHBondContact O-CB 3.27Å; I229-F233 PolarHBondContact O-N 2.69Å; L230-F233 PolarHBondContact O-N 3.43Å; F233-K235 VanDerWaalsContact C-N 3.32Å; F233-K235 PolarHBondContact O-N 3.32Å; F233-E236 PolarHBondContact O-N 3.47Å; F233-A237 WeakPolarHBondContact O-CB 3.25Å; F233-A237 PolarHBondContact O-N 3.37Å; F233-L327 HydrophobicContact CB-CD1 3.89Å; F233-L327 HydrophobicContact CB-CD2 4.16Å; F233-L327 HydrophobicContact CD2-CD1 4.08Å; F233-L327 HydrophobicContact CD2-CD2 4.27Å; F233-L327 HydrophobicContact CD2-CG 4.39Å; F233-L327 HydrophobicContact CG-CD1 4.31Å; F233-F331 AromaticContact CD2-CD2 3.97Å; F233-F331 HydrophobicContact CD2-CD2 3.97Å; F233-F331 AromaticContact CD2-CE2 3.53Å; F233-F331 HydrophobicContact CD2-CE2 3.53Å; F233-F331 HydrophobicContact CD2-CZ 4.25Å; F233-F331 HydrophobicContact CE2-CD2 4.16Å; F233-F331 AromaticContact CE2-CE2 3.77Å; F233-F331 HydrophobicContact CE2-CE2 3.77Å; F233-F331 HydrophobicContact CE2-CZ 4.12Å; F233-L334 HydrophobicContact CE2-CB 3.85Å; F233-L334 HydrophobicContact CZ-CB 4.37Å; F233-Y338 HydrophobicContact CE1-CD2 4.39Å; F233-Y338 HydrophobicContact CE1-CG 4.11Å; F233-Y338 HydrophobicContact CZ-CG 4.5Å; F233-F359 AromaticContact CD1-CE1 3.59Å; F233-F359 HydrophobicContact CD1-CE1 3.59Å; F233-F359 AromaticContact CD1-CZ 3.86Å; F233-F359 HydrophobicContact CD1-CZ 3.86Å; F233-F359 AromaticContact CE1-CE1 3.4Å; F233-F359 HydrophobicContact CE1-CE1 3.4Å; F233-F359 HydrophobicContact CE1-CE2 4.48Å; F233-F359 AromaticContact CE1-CZ 3.36Å; F233-F359 HydrophobicContact CE1-CZ 3.36Å; F233-F359 HydrophobicContact CE2-CZ 4.3Å; F233-F359 HydrophobicContact CG-CE1 4.46Å; F233-F359 HydrophobicContact CZ-CE1 4.14Å; F233-F359 AromaticContact CZ-CZ 3.61Å; F233-F359 HydrophobicContact CZ-CZ 3.61Å
234	L	87.4	Confident	87.1	Confident	46 Å²	46	71.9 Å²	71.9	24%	0.241	32%	0.318	C	S	.	.	H	α-helix	trans	-66.8	-33	-178.7	-71.7	171.8	0	0	0	112.6	L230 E232 R238 Y338 L356	L230-L234 HydrophobicContact CD1-CD1 3.91Å; L230-L234 HydrophobicContact CD1-CG 4.05Å; L230-L234 HydrophobicContact CG-CD1 4.03Å; L230-L234 WeakPolarHBondContact O-CB 3.35Å; L230-L234 VanDerWaalsContact O-CG 3.28Å; L230-L234 WeakPolarHBondContact O-CG 3.39Å; L230-L234 PolarHBondContact O-N 3.5Å; E232-L234 PolarHBondContact O-N 3.36Å; L234-R238 VanDerWaalsContact O-CB 3.23Å; L234-R238 WeakPolarHBondContact O-CB 3.24Å; L234-R238 PolarHBondContact O-N 3.41Å; L234-Y338 HydrophobicContact CD2-CE1 4.4Å; L234-Y338 HydrophobicContact CD2-CE2 4.03Å; L234-L356 HydrophobicContact CD1-CD1 4.33Å
235	K	89	Confident	87.5	Confident	119 Å²	119	74.6 Å²	74.6	52%	0.517	33%	0.326	S	S	.	.	H	α-helix	trans	-67.7	-43.2	173.2	-75.7	171.6	-179.5	179.4	0	111.5	M231 E232 F233 R239	M231-K235 HydrophobicContact CG-CD 4.43Å; M231-K235 WeakPolarHBondContact O-CB 3.4Å; M231-K235 VanDerWaalsContact O-CG 3.27Å; M231-K235 WeakPolarHBondContact O-CG 3.25Å; M231-K235 PolarHBondContact O-N 3.11Å; M231-K235 VanDerWaalsContact O-N 3.17Å; M231-K235 HydrophobicContact SD-CD 4.49Å; M231-K235 HydrophobicContact SD-CG 4.48Å; E232-K235 PolarHBondContact O-N 3.14Å; F233-K235 VanDerWaalsContact C-N 3.32Å; F233-K235 PolarHBondContact O-N 3.32Å; K235-R239 PolarHBondContact O-N 2.93Å
236	E	88.3	Confident	88.1	Confident	60 Å²	60	78.3 Å²	78.3	28%	0.28	35%	0.345	S	S	.	.	H	α-helix	trans	-65.4	-51.1	178.6	-173.5	62.5	-157.6	0	0	111.6	E232 F233 R238 R239 N240 F331	E232-E236 WeakPolarHBondContact O-CB 3.29Å; E232-E236 PolarHBondContact O-N 3.11Å; F233-E236 PolarHBondContact O-N 3.47Å; E236-R238 VanDerWaalsContact C-N 3.25Å; E236-R238 PolarHBondContact O-N 2.91Å; E236-R239 WeakPolarHBondContact O-CA 3.47Å; E236-R239 WeakPolarHBondContact O-CB 3.44Å; E236-R239 PolarHBondContact O-N 3.36Å; E236-R239 IonicContact OE1-CZ 3.46Å; E236-R239 IonicContact OE1-NE 3.98Å; E236-R239 IonicContact OE1-NH2 3.69Å; E236-R239 PolarHBondContact OE1-NH2 3.44Å; E236-R239 IonicContact OE2-CZ 2.73Å; E236-R239 IonicContact OE2-NE 2.67Å; E236-R239 IonicContact OE2-NH2 3.8Å; E236-R239 PolarHBondContact OE2-NH2 3Å; E236-N240 PolarHBondContact O-N 3.47Å; E236-N240 PolarHBondContact O-OD1 3.01Å; E236-N240 PolarHBondContact OE1-ND2 3.08Å; E236-N240 PolarHBondContact OE1-OD1 3.24Å; E236-F331 HydrophobicContact CB-CE2 3.81Å; E236-F331 HydrophobicContact CB-CZ 4.03Å; E236-F331 HydrophobicContact CG-CD2 4.25Å; E236-F331 HydrophobicContact CG-CE1 4.49Å; E236-F331 HydrophobicContact CG-CE2 3.45Å; E236-F331 VanDerWaalsContact CG-CE2 3.45Å; E236-F331 HydrophobicContact CG-CZ 3.6Å
237	A	87.1	Confident	88.6	Confident	5 Å²	5	80.6 Å²	80.6	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-59.7	-37.4	178.1	0	0	0	0	0	111.8	F233 K241 F331	F233-A237 WeakPolarHBondContact O-CB 3.25Å; F233-A237 PolarHBondContact O-N 3.37Å; A237-K241 VanDerWaalsContact O-CB 3.31Å; A237-K241 WeakPolarHBondContact O-CB 3.28Å; A237-K241 WeakPolarHBondContact O-CG 3.21Å; A237-K241 PolarHBondContact O-N 2.95Å; A237-F331 HydrophobicContact CB-CZ 4Å
238	R	89.2	Confident	89	Confident	177 Å²	177	77.6 Å²	77.6	67%	0.668	35%	0.352	S	S	*	.	H	α-helix	trans	-67.4	-34.3	173.6	-172.8	-172.6	67	168.7	2.7	112.8	L234 E236 R242	L234-R238 VanDerWaalsContact O-CB 3.23Å; L234-R238 WeakPolarHBondContact O-CB 3.24Å; L234-R238 PolarHBondContact O-N 3.41Å; E236-R238 VanDerWaalsContact C-N 3.25Å; E236-R238 PolarHBondContact O-N 2.91Å; R238-R242 WeakPolarHBondContact O-CB 3.35Å; R238-R242 PolarHBondContact O-N 3.31Å
239	R	90.9	Very high	89.3	Confident	127 Å²	127	78.6 Å²	78.6	48%	0.479	36%	0.356	S	S	.	.	H	α-helix	trans	-64.5	-54.9	172.5	173.9	175.1	69.6	178.7	1.6	109.9	K235 E236 K241 R242 E243	K235-R239 PolarHBondContact O-N 2.93Å; E236-R239 WeakPolarHBondContact O-CA 3.47Å; E236-R239 WeakPolarHBondContact O-CB 3.44Å; E236-R239 PolarHBondContact O-N 3.36Å; E236-R239 IonicContact OE1-CZ 3.46Å; E236-R239 IonicContact OE1-NE 3.98Å; E236-R239 IonicContact OE1-NH2 3.69Å; E236-R239 PolarHBondContact OE1-NH2 3.44Å; E236-R239 IonicContact OE2-CZ 2.73Å; E236-R239 IonicContact OE2-NE 2.67Å; E236-R239 IonicContact OE2-NH2 3.8Å; E236-R239 PolarHBondContact OE2-NH2 3Å; R239-K241 VanDerWaalsContact C-N 3.27Å; R239-K241 PolarHBondContact O-N 2.71Å; R239-R242 WeakPolarHBondContact O-CA 3.46Å; R239-R242 WeakPolarHBondContact O-CB 3.43Å; R239-R242 PolarHBondContact O-N 2.96Å; R239-E243 VanDerWaalsContact CD-OE1 3.22Å; R239-E243 WeakPolarHBondContact CD-OE1 3.08Å; R239-E243 HydrophobicContact CG-CG 4.33Å; R239-E243 WeakPolarHBondContact CG-OE1 3.38Å; R239-E243 IonicContact NE-OE1 2.75Å; R239-E243 PolarHBondContact O-N 2.75Å
240	N	87.7	Confident	89.7	Confident	34 Å²	34	83.7 Å²	83.7	18%	0.182	38%	0.378	C	S	.	.	H	α-helix	trans	-64.4	-35	-172.4	-57.4	2.2	0	0	0	111	E236 Q244	E236-N240 PolarHBondContact O-N 3.47Å; E236-N240 PolarHBondContact O-OD1 3.01Å; E236-N240 PolarHBondContact OE1-ND2 3.08Å; E236-N240 PolarHBondContact OE1-OD1 3.24Å; N240-Q244 WeakPolarHBondContact O-CB 3.42Å; N240-Q244 VanDerWaalsContact O-CG 3.23Å; N240-Q244 WeakPolarHBondContact O-CG 3.38Å; N240-Q244 PolarHBondContact O-N 3.34Å
241	K	88.3	Confident	90.1	Very high	81 Å²	81	87.3 Å²	87.3	35%	0.352	40%	0.395	S	S	.	.	H	α-helix	trans	-69	-27.6	171.3	-75.9	-78.7	168.6	-69.8	0	114.1	A237 R239 L245 E335 F339	A237-K241 VanDerWaalsContact O-CB 3.31Å; A237-K241 WeakPolarHBondContact O-CB 3.28Å; A237-K241 WeakPolarHBondContact O-CG 3.21Å; A237-K241 PolarHBondContact O-N 2.95Å; R239-K241 VanDerWaalsContact C-N 3.27Å; R239-K241 PolarHBondContact O-N 2.71Å; K241-L245 WeakPolarHBondContact O-CB 3.47Å; K241-L245 PolarHBondContact O-N 2.86Å; K241-L245 VanDerWaalsContact O-N 3.12Å; K241-E335 WeakPolarHBondContact CE-OE1 3.44Å; K241-E335 IonicContact NZ-OE1 2.75Å; K241-E335 PolarHBondContact NZ-OE1 3.31Å; K241-F339 HydrophobicContact CD-CE2 4.49Å; K241-F339 HydrophobicContact CD-CZ 4.36Å; K241-F339 HydrophobicContact CG-CE2 4.34Å; K241-F339 HydrophobicContact CG-CZ 4.15Å
242	R	90.3	Very high	90.4	Very high	175 Å²	175	86.8 Å²	86.8	66%	0.66	39%	0.394	S	S	*	.	H	α-helix	trans	-75.7	-43.8	174.1	-160.5	176.7	-155	162.7	6.9	111.1	R238 R239 Q244 L245 D246	R238-R242 WeakPolarHBondContact O-CB 3.35Å; R238-R242 PolarHBondContact O-N 3.31Å; R239-R242 WeakPolarHBondContact O-CA 3.46Å; R239-R242 WeakPolarHBondContact O-CB 3.43Å; R239-R242 PolarHBondContact O-N 2.96Å; R242-Q244 VanDerWaalsContact C-N 3.3Å; R242-Q244 PolarHBondContact O-N 2.9Å; R242-L245 WeakPolarHBondContact O-CB 3.36Å; R242-L245 PolarHBondContact O-N 3.49Å; R242-L245 VanDerWaalsContact O-N 3.07Å; R242-D246 VanDerWaalsContact O-CG 3.24Å; R242-D246 PolarHBondContact O-N 3.3Å
243	E	90.1	Very high	90.7	Very high	105 Å²	105	87.6 Å²	87.6	49%	0.491	40%	0.4	S	S	.	.	H	α-helix	trans	-61.5	-38.1	173.9	-68.3	168.4	-174.6	0	0	111.7	R239 D246 Q247	R239-E243 VanDerWaalsContact CD-OE1 3.22Å; R239-E243 WeakPolarHBondContact CD-OE1 3.08Å; R239-E243 HydrophobicContact CG-CG 4.33Å; R239-E243 WeakPolarHBondContact CG-OE1 3.38Å; R239-E243 IonicContact NE-OE1 2.75Å; R239-E243 PolarHBondContact O-N 2.75Å; E243-D246 PolarHBondContact O-N 3.08Å; E243-Q247 WeakPolarHBondContact O-CB 3.4Å; E243-Q247 PolarHBondContact O-N 2.91Å
244	Q	89.6	Confident	91	Very high	92 Å²	92	93.8 Å²	93.8	43%	0.43	43%	0.427	S	S	.	.	H	α-helix	trans	-64.9	-38.1	171.2	-76.1	169	-2.3	0	0	112.9	N240 R242 Q247 L248	N240-Q244 WeakPolarHBondContact O-CB 3.42Å; N240-Q244 VanDerWaalsContact O-CG 3.23Å; N240-Q244 WeakPolarHBondContact O-CG 3.38Å; N240-Q244 PolarHBondContact O-N 3.34Å; R242-Q244 VanDerWaalsContact C-N 3.3Å; R242-Q244 PolarHBondContact O-N 2.9Å; Q244-Q247 PolarHBondContact O-N 3.21Å; Q244-L248 WeakPolarHBondContact O-CB 3.23Å; Q244-L248 VanDerWaalsContact O-CG 3.3Å; Q244-L248 WeakPolarHBondContact O-CG 3.06Å; Q244-L248 PolarHBondContact O-N 2.76Å
245	L	92.7	Very high	91.2	Very high	103 Å²	103	96.6 Å²	96.6	54%	0.539	44%	0.442	S	S	.	.	H	α-helix	trans	-67.7	-46	174.6	-173.4	157.7	0	0	0	111.1	K241 R242 Q247 L248 Q249	K241-L245 WeakPolarHBondContact O-CB 3.47Å; K241-L245 PolarHBondContact O-N 2.86Å; K241-L245 VanDerWaalsContact O-N 3.12Å; R242-L245 WeakPolarHBondContact O-CB 3.36Å; R242-L245 PolarHBondContact O-N 3.49Å; R242-L245 VanDerWaalsContact O-N 3.07Å; L245-Q247 PolarHBondContact O-N 2.91Å; L245-L248 PolarHBondContact O-N 3.29Å; L245-Q249 WeakPolarHBondContact O-CB 3.38Å; L245-Q249 PolarHBondContact O-N 2.78Å
246	D	92.9	Very high	91.4	Very high	78 Å²	78	96.6 Å²	96.6	42%	0.417	44%	0.444	S	S	.	.	H	α-helix	trans	-64.6	-25.7	177.9	-62.9	-24.5	0	0	0	112.1	R242 E243 K250	R242-D246 VanDerWaalsContact O-CG 3.24Å; R242-D246 PolarHBondContact O-N 3.3Å; E243-D246 PolarHBondContact O-N 3.08Å; D246-K250 WeakPolarHBondContact O-CD 3.43Å; D246-K250 VanDerWaalsContact O-CE 3.25Å; D246-K250 WeakPolarHBondContact O-CE 3.33Å; D246-K250 WeakPolarHBondContact O-CG 3.31Å
247	Q	91.7	Very high	91.7	Very high	85 Å²	85	98.4 Å²	98.4	40%	0.397	45%	0.452	S	S	.	.	H	α-helix	trans	-78.3	-49.4	171.9	-179.2	57.5	26.6	0	0	111.9	E243 Q244 L245 Q249 K250 E251	E243-Q247 WeakPolarHBondContact O-CB 3.4Å; E243-Q247 PolarHBondContact O-N 2.91Å; Q244-Q247 PolarHBondContact O-N 3.21Å; L245-Q247 PolarHBondContact O-N 2.91Å; Q247-Q249 PolarHBondContact O-N 3.38Å; Q247-K250 WeakPolarHBondContact O-CB 3.48Å; Q247-K250 PolarHBondContact O-N 3.43Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.33Å; Q247-E251 PolarHBondContact NE2-OE1 3.49Å; Q247-E251 PolarHBondContact O-N 3.49Å
248	L	92.9	Very high	91.9	Very high	104 Å²	104	102 Å²	102	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-60.5	-34.2	176.1	-74.8	168.9	0	0	0	112.2	Q244 L245 E251 L252	Q244-L248 WeakPolarHBondContact O-CB 3.23Å; Q244-L248 VanDerWaalsContact O-CG 3.3Å; Q244-L248 WeakPolarHBondContact O-CG 3.06Å; Q244-L248 PolarHBondContact O-N 2.76Å; L245-L248 PolarHBondContact O-N 3.29Å; L248-E251 PolarHBondContact O-N 2.91Å; L248-L252 WeakPolarHBondContact O-CB 3.39Å; L248-L252 WeakPolarHBondContact O-CG 3.48Å; L248-L252 PolarHBondContact O-N 2.92Å
249	Q	93.9	Very high	92.1	Very high	89 Å²	89	98.3 Å²	98.3	42%	0.416	46%	0.463	S	S	.	.	H	α-helix	trans	-65.5	-37	174.4	-171.4	63.1	64.1	0	0	111.8	L245 Q247 N253	L245-Q249 WeakPolarHBondContact O-CB 3.38Å; L245-Q249 PolarHBondContact O-N 2.78Å; Q247-Q249 PolarHBondContact O-N 3.38Å; Q249-N253 PolarHBondContact NE2-OD1 2.96Å; Q249-N253 WeakPolarHBondContact O-CB 3.44Å; Q249-N253 PolarHBondContact O-N 2.92Å; Q249-N253 PolarHBondContact O-OD1 3.48Å
250	K	93.1	Very high	92.2	Very high	111 Å²	111	98.1 Å²	98.1	48%	0.483	47%	0.466	S	S	.	.	H	α-helix	trans	-67.5	-41.2	173.6	-66.2	160.6	-166.4	158.8	0	111.3	D246 Q247 N253 F254	D246-K250 WeakPolarHBondContact O-CD 3.43Å; D246-K250 VanDerWaalsContact O-CE 3.25Å; D246-K250 WeakPolarHBondContact O-CE 3.33Å; D246-K250 WeakPolarHBondContact O-CG 3.31Å; Q247-K250 WeakPolarHBondContact O-CB 3.48Å; Q247-K250 PolarHBondContact O-N 3.43Å; K250-N253 PolarHBondContact O-N 3.03Å; K250-F254 HydrophobicContact CB-CE2 4.42Å; K250-F254 WeakPolarHBondContact O-CD2 3.18Å; K250-F254 WeakPolarHBondContact O-CG 3.44Å; K250-F254 PolarHBondContact O-N 3.26Å
251	E	93.1	Very high	92.2	Very high	88 Å²	88	102.6 Å²	102.6	41%	0.411	48%	0.48	S	S	.	.	H	α-helix	trans	-63.8	-40.5	176.8	-71	169	-162	0	0	111.6	Q247 L248 F254 L255	Q247-E251 WeakPolarHBondContact CG-OE1 3.33Å; Q247-E251 PolarHBondContact NE2-OE1 3.49Å; Q247-E251 PolarHBondContact O-N 3.49Å; L248-E251 PolarHBondContact O-N 2.91Å; E251-F254 PolarHBondContact O-N 3.18Å; E251-L255 WeakPolarHBondContact O-CG 3.46Å; E251-L255 PolarHBondContact O-N 3.05Å; E251-L255 VanDerWaalsContact O-N 3.08Å
252	L	92.9	Very high	92.2	Very high	89 Å²	89	103.4 Å²	103.4	47%	0.466	49%	0.492	S	S	.	.	H	α-helix	trans	-63	-46.9	170.4	-73.5	171.2	0	0	0	111.9	L248 F254 L255 E256	L248-L252 WeakPolarHBondContact O-CB 3.39Å; L248-L252 WeakPolarHBondContact O-CG 3.48Å; L248-L252 PolarHBondContact O-N 2.92Å; L252-F254 VanDerWaalsContact C-N 3.29Å; L252-F254 PolarHBondContact O-N 3.33Å; L252-L255 CarbonylContact O-C 3.52Å; L252-L255 PolarHBondContact O-N 3.42Å; L252-L255 VanDerWaalsContact O-N 3.08Å; L252-E256 WeakPolarHBondContact O-CG 3.38Å; L252-E256 PolarHBondContact O-N 3.41Å
253	N	94.9	Very high	92	Very high	72 Å²	72	100.8 Å²	100.8	39%	0.385	49%	0.487	S	S	.	.	H	α-helix	trans	-59.3	-38.9	177.4	-70.4	18.8	0	0	0	112.2	Q249 K250 E256 E257	Q249-N253 PolarHBondContact NE2-OD1 2.96Å; Q249-N253 WeakPolarHBondContact O-CB 3.44Å; Q249-N253 PolarHBondContact O-N 2.92Å; Q249-N253 PolarHBondContact O-OD1 3.48Å; K250-N253 PolarHBondContact O-N 3.03Å; N253-E256 PolarHBondContact O-N 2.84Å; N253-E257 PolarHBondContact O-N 3.04Å
254	F	93.8	Very high	91.6	Very high	130 Å²	130	101.3 Å²	101.3	57%	0.57	49%	0.493	S	S	*	.	H	α-helix	trans	-64.9	-41	174.1	-70.9	-51.6	0	0	0	112.1	K250 E251 L252 E257 D258	K250-F254 HydrophobicContact CB-CE2 4.42Å; K250-F254 WeakPolarHBondContact O-CD2 3.18Å; K250-F254 WeakPolarHBondContact O-CG 3.44Å; K250-F254 PolarHBondContact O-N 3.26Å; E251-F254 PolarHBondContact O-N 3.18Å; L252-F254 VanDerWaalsContact C-N 3.29Å; L252-F254 PolarHBondContact O-N 3.33Å; F254-E257 PolarHBondContact O-N 3.26Å; F254-D258 PolarHBondContact O-N 3.42Å
255	L	92.5	Very high	91	Very high	105 Å²	105	103.1 Å²	103.1	55%	0.55	51%	0.51	S	S	.	.	H	α-helix	trans	-66.8	-37.8	175.5	-69.5	169.8	0	0	0	112	E251 L252 D258 I259	E251-L255 WeakPolarHBondContact O-CG 3.46Å; E251-L255 PolarHBondContact O-N 3.05Å; E251-L255 VanDerWaalsContact O-N 3.08Å; L252-L255 CarbonylContact O-C 3.52Å; L252-L255 PolarHBondContact O-N 3.42Å; L252-L255 VanDerWaalsContact O-N 3.08Å; L255-D258 PolarHBondContact O-N 3.48Å; L255-I259 VanDerWaalsContact O-CB 3.3Å; L255-I259 WeakPolarHBondContact O-CB 3.34Å; L255-I259 WeakPolarHBondContact O-CD1 3.38Å; L255-I259 WeakPolarHBondContact O-CG1 3.49Å; L255-I259 PolarHBondContact O-N 3.12Å
256	E	94.3	Very high	89.7	Confident	119 Å²	119	101.8 Å²	101.8	56%	0.556	51%	0.51	S	S	*	.	H	α-helix	trans	-65.8	-41.4	173.9	-73	176.1	-172.5	0	0	111.7	L252 N253 K260	L252-E256 WeakPolarHBondContact O-CG 3.38Å; L252-E256 PolarHBondContact O-N 3.41Å; N253-E256 PolarHBondContact O-N 2.84Å; E256-K260 WeakPolarHBondContact O-CB 3.48Å; E256-K260 PolarHBondContact O-N 3.5Å
257	E	93.1	Very high	87.8	Confident	98 Å²	98	101 Å²	101	46%	0.458	52%	0.52	S	S	.	.	H	α-helix	trans	-61.7	-45.9	171.7	-81.3	-167.7	-135.5	0	0	112.1	N253 F254 K260 R261	N253-E257 PolarHBondContact O-N 3.04Å; F254-E257 PolarHBondContact O-N 3.26Å; E257-K260 PolarHBondContact O-N 3.23Å; E257-R261 WeakPolarHBondContact O-CG 3.42Å; E257-R261 PolarHBondContact O-N 3Å; E257-R261 IonicContact OE2-CZ 2.84Å; E257-R261 IonicContact OE2-NE 3.07Å; E257-R261 IonicContact OE2-NH2 3.94Å; E257-R261 PolarHBondContact OE2-NH2 2.82Å
258	D	92.9	Very high	85.7	Confident	80 Å²	80	104.9 Å²	104.9	43%	0.428	54%	0.542	S	S	.	.	H	α-helix	trans	-70.9	-36.5	-179.8	-81.7	-24.4	0	0	0	112.9	F254 L255 R261 V262	F254-D258 PolarHBondContact O-N 3.42Å; L255-D258 PolarHBondContact O-N 3.48Å; D258-R261 PolarHBondContact O-N 2.96Å; D258-R261 WeakPolarHBondContact OD1-CD 3.45Å; D258-R261 IonicContact OD1-CZ 3.24Å; D258-R261 IonicContact OD1-NE 3.09Å; D258-R261 IonicContact OD1-NH1 3.92Å; D258-R261 PolarHBondContact OD1-NH1 2.87Å; D258-V262 WeakPolarHBondContact O-CG2 3.48Å; D258-V262 PolarHBondContact O-N 3.07Å
259	I	92.1	Very high	83.2	Confident	99 Å²	99	105.3 Å²	105.3	51%	0.508	55%	0.554	S	S	.	*	H	α-helix	trans	-58	-50.6	169.4	-74.6	163.3	0	0	0	109.4	L255 R261 V262 E263	L255-I259 VanDerWaalsContact O-CB 3.3Å; L255-I259 WeakPolarHBondContact O-CB 3.34Å; L255-I259 WeakPolarHBondContact O-CD1 3.38Å; L255-I259 WeakPolarHBondContact O-CG1 3.49Å; L255-I259 PolarHBondContact O-N 3.12Å; I259-R261 PolarHBondContact O-N 3.1Å; I259-V262 CarbonylContact O-C 3.57Å; I259-V262 WeakPolarHBondContact O-CA 3.5Å; I259-V262 WeakPolarHBondContact O-CB 3.38Å; I259-V262 PolarHBondContact O-N 3.12Å; I259-V262 VanDerWaalsContact O-N 3.07Å; I259-E263 HydrophobicContact CG2-CG 4.38Å; I259-E263 WeakPolarHBondContact O-CG 3.35Å; I259-E263 PolarHBondContact O-N 2.92Å
260	K	92.6	Very high	80.3	Confident	124 Å²	124	106.6 Å²	106.6	54%	0.539	57%	0.572	S	S	.	*	H	α-helix	trans	-61.3	-42	179.5	-175.6	179.4	175.7	-177	0	112.4	E256 E257 V262 E263 D264	E256-K260 WeakPolarHBondContact O-CB 3.48Å; E256-K260 PolarHBondContact O-N 3.5Å; E257-K260 PolarHBondContact O-N 3.23Å; K260-V262 VanDerWaalsContact C-N 3.27Å; K260-V262 PolarHBondContact O-N 3.27Å; K260-E263 PolarHBondContact O-N 2.65Å; K260-D264 WeakPolarHBondContact O-CB 3.45Å; K260-D264 PolarHBondContact O-N 3.38Å
261	R	89.1	Confident	78.5	Confident	127 Å²	127	106.9 Å²	106.9	48%	0.479	59%	0.585	S	S	.	*	H	α-helix	trans	-60.8	-37.2	174.8	-68.6	163.2	-162.6	175.4	-0	111.6	E257 D258 I259 V265	E257-R261 WeakPolarHBondContact O-CG 3.42Å; E257-R261 PolarHBondContact O-N 3Å; E257-R261 IonicContact OE2-CZ 2.84Å; E257-R261 IonicContact OE2-NE 3.07Å; E257-R261 IonicContact OE2-NH2 3.94Å; E257-R261 PolarHBondContact OE2-NH2 2.82Å; D258-R261 PolarHBondContact O-N 2.96Å; D258-R261 WeakPolarHBondContact OD1-CD 3.45Å; D258-R261 IonicContact OD1-CZ 3.24Å; D258-R261 IonicContact OD1-NE 3.09Å; D258-R261 IonicContact OD1-NH1 3.92Å; D258-R261 PolarHBondContact OD1-NH1 2.87Å; I259-R261 PolarHBondContact O-N 3.1Å; R261-V265 WeakPolarHBondContact O-CB 3.22Å; R261-V265 VanDerWaalsContact O-CG2 3.22Å; R261-V265 WeakPolarHBondContact O-CG2 3.33Å; R261-V265 PolarHBondContact O-N 2.79Å
262	V	87.3	Confident	75.5	Confident	99 Å²	99	109.9 Å²	109.9	60%	0.6	61%	0.61	S	S	*	*	H	α-helix	trans	-69.2	-41	174.2	169.4	0	0	0	0	111.2	D258 I259 K260 V265 S266	D258-V262 WeakPolarHBondContact O-CG2 3.48Å; D258-V262 PolarHBondContact O-N 3.07Å; I259-V262 CarbonylContact O-C 3.57Å; I259-V262 WeakPolarHBondContact O-CA 3.5Å; I259-V262 WeakPolarHBondContact O-CB 3.38Å; I259-V262 PolarHBondContact O-N 3.12Å; I259-V262 VanDerWaalsContact O-N 3.07Å; K260-V262 VanDerWaalsContact C-N 3.27Å; K260-V262 PolarHBondContact O-N 3.27Å; V262-V265 PolarHBondContact O-N 3.3Å; V262-S266 WeakPolarHBondContact O-CB 3.3Å; V262-S266 PolarHBondContact O-N 2.87Å; V262-S266 PolarHBondContact O-OG 2.93Å
263	E	85.9	Confident	72.8	Confident	120 Å²	120	113.5 Å²	113.5	56%	0.561	63%	0.627	S	S	*	*	H	α-helix	trans	-60.7	-50.4	174.3	-71	177.5	156.5	0	0	111.3	I259 K260 V265 S266	I259-E263 HydrophobicContact CG2-CG 4.38Å; I259-E263 WeakPolarHBondContact O-CG 3.35Å; I259-E263 PolarHBondContact O-N 2.92Å; K260-E263 PolarHBondContact O-N 2.65Å; E263-V265 VanDerWaalsContact C-N 3.31Å; E263-V265 PolarHBondContact O-N 3.02Å; E263-S266 WeakPolarHBondContact CA-OG 3.49Å; E263-S266 PolarHBondContact O-N 2.88Å; E263-S266 PolarHBondContact O-OG 2.98Å
264	D	82.3	Confident	69.9	Low	115 Å²	115	118.8 Å²	118.8	62%	0.615	65%	0.649	S	S	*	*	H	α-helix	trans	-57.9	-39.5	176.4	-73.7	-31.6	0	0	0	111.9	K260	K260-D264 WeakPolarHBondContact O-CB 3.45Å; K260-D264 PolarHBondContact O-N 3.38Å
265	V	77.6	Confident	67.1	Low	131 Å²	131	117.1 Å²	117.1	79%	0.794	66%	0.659	S	S	*	*	H	α-helix	trans	-75	-26.6	175.5	168.4	0	0	0	0	112.7	R261 V262 E263 G267	R261-V265 WeakPolarHBondContact O-CB 3.22Å; R261-V265 VanDerWaalsContact O-CG2 3.22Å; R261-V265 WeakPolarHBondContact O-CG2 3.33Å; R261-V265 PolarHBondContact O-N 2.79Å; V262-V265 PolarHBondContact O-N 3.3Å; E263-V265 VanDerWaalsContact C-N 3.31Å; E263-V265 PolarHBondContact O-N 3.02Å; V265-G267 PolarHBondContact O-N 2.98Å
266	S	63.8	Low	64.1	Low	75 Å²	75	120.8 Å²	120.8	52%	0.524	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	3.6	-179.9	76.5	0	0	0	0	114.6	V262 E263 I268	V262-S266 WeakPolarHBondContact O-CB 3.3Å; V262-S266 PolarHBondContact O-N 2.87Å; V262-S266 PolarHBondContact O-OG 2.93Å; E263-S266 WeakPolarHBondContact CA-OG 3.49Å; E263-S266 PolarHBondContact O-N 2.88Å; E263-S266 PolarHBondContact O-OG 2.98Å; S266-I268 PolarHBondContact O-N 3.4Å
267	G	53.8	Low	61	Low	62 Å²	62	120.3 Å²	120.3	64%	0.639	68%	0.682	S	S	*	*			trans	-51.8	80.3	-165.9	0	0	0	0	0	117.4	V265 S269	V265-G267 PolarHBondContact O-N 2.98Å; G267-S269 PolarHBondContact O-N 3.36Å
268	I	48	Very low	58	Low	165 Å²	165	122.1 Å²	122.1	85%	0.846	70%	0.7	S	S	*	*			trans	-75.2	103.8	160.4	-64.1	176.5	0	0	0	107.2	S266	S266-I268 PolarHBondContact O-N 3.4Å
269	S	40.3	Very low	55.1	Low	114 Å²	114	124.3 Å²	124.3	80%	0.797	72%	0.716	S	S	*	*			trans	-72.6	135.3	-178.2	50.4	0	0	0	0	112.5	G267	G267-S269 PolarHBondContact O-N 3.36Å
270	S	33	Very low	52.8	Low	116 Å²	116	125.1 Å²	125.1	81%	0.811	73%	0.728	S	S	*	*			trans	-139.4	119.4	156.1	55.5	0	0	0	0	108.4
271	P	54.4	Low	49.9	Very low	116 Å²	116	125.6 Å²	125.6	75%	0.753	74%	0.736	S	S	*	*			trans	-98.4	149.9	-172.7	36	-33.8	0	0	0	112.8
272	T	30.7	Very low	47.2	Very low	151 Å²	151	124.7 Å²	124.7	93%	0.926	75%	0.745	S	S	*	*			trans	-147.1	152.6	149.1	-32.8	0	0	0	0	108.3
273	M	37.5	Very low	44.3	Very low	166 Å²	166	128.1 Å²	128.1	82%	0.818	75%	0.754	S	S	*	*			trans	-108.4	-175	-159.3	-69.1	-174.8	62.3	0	0	114.2
274	E	33.9	Very low	41.8	Very low	183 Å²	183	126.6 Å²	126.6	86%	0.855	76%	0.762	S	S	*	*			trans	89.4	103.4	166.3	-59.2	171.2	-154	0	0	113.4
275	A	34.1	Very low	40	Very low	95 Å²	95	126.4 Å²	126.4	79%	0.785	77%	0.767	S	S	*	*				85	139.8	78.1	0	0	0	0	0	111.5
276	E	30.2	Very low	37.9	Very low	182 Å²	182	125.7 Å²	125.7	85%	0.85	77%	0.768	S	S	*	*			cis	-147.5	-174.8	18.6	-149.7	170.4	-149.6	0	0	112.5
277	C	28.7	Very low	36.9	Very low	108 Å²	108	128.2 Å²	128.2	73%	0.73	78%	0.783	S	S	*	*			trans	-27.3	156.2	178.7	-68	0	0	0	0	119.4
278	T	29.7	Very low	35.8	Very low	136 Å²	136	129.6 Å²	129.6	83%	0.834	79%	0.788	S	S	*	*				-166.7	155.7	58.5	-44.7	0	0	0	0	113.9
279	V	32	Very low	35.6	Very low	126 Å²	126	127.3 Å²	127.3	76%	0.764	78%	0.784	S	S	*	*			trans	-108.5	163.8	175.4	-116.5	0	0	0	0	110.5
280	P	43.4	Very low	35.1	Very low	117 Å²	117	128 Å²	128	76%	0.76	79%	0.789	S	S	*	*			cis	-128.7	170	45.7	24.3	0.9	0	0	0	114
281	N	32	Very low	34.8	Very low	134 Å²	134	127.3 Å²	127.3	72%	0.717	78%	0.784	S	S	*	*			cis	75.5	137.6	40.3	-142.9	28.8	0	0	0	113.1
282	V	31.9	Very low	33.8	Very low	108 Å²	108	129 Å²	129	66%	0.655	79%	0.785	S	S	*	*			cis	-109.3	-128.4	0.8	-150.8	0	0	0	0	111.1
283	E	27.3	Very low	33.9	Very low	170 Å²	170	129.8 Å²	129.8	79%	0.794	78%	0.781	S	S	*	*			cis	-156.5	160.2	1.6	-159.4	103.5	-92.6	0	0	110.5
284	A	33.9	Very low	33.5	Very low	89 Å²	89	130.2 Å²	130.2	74%	0.736	78%	0.782	S	S	*	*			trans	-161	-174.6	175.6	0	0	0	0	0	110.1
285	P	43.8	Very low	33.6	Very low	111 Å²	111	127.1 Å²	127.1	72%	0.721	78%	0.777	S	S	*	*			cis	-137.2	164.6	-12.3	40.8	-24.2	0	0	0	116.6
286	S	33.1	Very low	33.5	Very low	116 Å²	116	128.2 Å²	128.2	81%	0.811	78%	0.776	S	S	*	*			trans	59.1	176.2	151.3	-61	0	0	0	0	119.7
287	P	42.9	Very low	33.4	Very low	128 Å²	128	126.5 Å²	126.5	83%	0.831	77%	0.773	S	S	*	*			cis	-122.4	-162.9	-13.4	41.1	-24.3	0	0	0	114.2
288	A	31.9	Very low	33.4	Very low	90 Å²	90	131.1 Å²	131.1	74%	0.744	78%	0.776	S	S	*	*			trans	-87.5	-173.6	178.6	0	0	0	0	0	113
289	P	43.6	Very low	33.4	Very low	118 Å²	118	131.7 Å²	131.7	77%	0.766	78%	0.775	S	S	*	*			cis	-138.1	-176.5	3.6	44.3	-26.3	0	0	0	116.5
290	S	28.7	Very low	33.3	Very low	129 Å²	129	133.7 Å²	133.7	90%	0.902	78%	0.776	S	S	*	*			trans	-159	162.9	162.8	-77.1	0	0	0	0	111.4
291	S	27.2	Very low	32.8	Very low	101 Å²	101	134.5 Å²	134.5	71%	0.706	78%	0.779	S	S	*	*			trans	-138.3	145.6	-163.5	61.5	0	0	0	0	115.3
292	I	32.9	Very low	33	Very low	152 Å²	152	134.3 Å²	134.3	78%	0.779	79%	0.785	S	S	*	*			trans	66.5	123.7	155.6	-59.6	161.4	0	0	0	117.4
293	I	32.1	Very low	32.8	Very low	166 Å²	166	132.8 Å²	132.8	85%	0.851	79%	0.791	S	S	*	*				-170.8	139.8	129.5	-96.9	154.6	0	0	0	108.4
294	E	30.2	Very low	33	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.822	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-95.1	152.3	179.5	-63.5	171.4	127.1	0	0	111.8
295	P	34.8	Very low	32.7	Very low	117 Å²	117	134.9 Å²	134.9	76%	0.76	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-79	143.3	168.2	33.4	-33.2	0	0	0	111.2
296	P	33.5	Very low	31.9	Very low	118 Å²	118	133 Å²	133	77%	0.766	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-82.2	133.1	-174.2	31.1	-34.9	0	0	0	114.1
297	D	27.6	Very low	32	Very low	147 Å²	147	134.2 Å²	134.2	79%	0.786	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-68.1	133.7	168.2	-88.8	-46	0	0	0	112.5	N299	D297-N299 PolarHBondContact O-N 3.24Å
298	Y	29.5	Very low	31.8	Very low	204 Å²	204	132.9 Å²	132.9	80%	0.8	80%	0.796	S	S	*	*			trans	-91.3	71.8	175.7	-117.1	-87.9	0	0	0	112	Q300	Y298-Q300 PolarHBondContact O-N 3.01Å
299	N	28.5	Very low	32.2	Very low	149 Å²	149	134.1 Å²	134.1	80%	0.797	80%	0.796	S	S	*	*			trans	-78	115.2	170.8	-88.9	-53.6	0	0	0	111.2	D297	D297-N299 PolarHBondContact O-N 3.24Å
300	Q	30.7	Very low	32.1	Very low	168 Å²	168	132.4 Å²	132.4	79%	0.785	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-102.6	124.6	170.4	-70.7	-172.7	-5.2	0	0	111.1	Y298	Y298-Q300 PolarHBondContact O-N 3.01Å
301	T	32.8	Very low	32.7	Very low	134 Å²	134	135.6 Å²	135.6	82%	0.822	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-86.7	148	171.8	42.9	0	0	0	0	111.5	G303	T301-G303 PolarHBondContact O-N 3.41Å
302	P	36.5	Very low	33.4	Very low	130 Å²	130	137.9 Å²	137.9	84%	0.844	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-78.4	120.8	-177.3	-12.4	29.3	0	0	0	112.4
303	G	27.6	Very low	34	Very low	76 Å²	76	136.8 Å²	136.8	78%	0.784	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-70.9	145.2	165.8	0	0	0	0	0	112	T301	T301-G303 PolarHBondContact O-N 3.41Å
304	F	30.8	Very low	35	Very low	225 Å²	225	132.8 Å²	132.8	99%	0.987	75%	0.749	S	S	*	*	S	Bend	trans	-92.3	120.1	-175	-153	-92.7	0	0	0	111.4
305	G	27.7	Very low	35.7	Very low	78 Å²	78	131 Å²	131	80%	0.804	74%	0.735	S	S	*	*			trans	136.5	116.1	171.3	0	0	0	0	0	114.6
306	G	27.3	Very low	36.6	Very low	70 Å²	70	128 Å²	128	72%	0.722	71%	0.709	S	S	*	*			trans	139.9	114.3	174.6	0	0	0	0	0	113.3	T308	G306-T308 PolarHBondContact O-N 3.35Å
307	T	34.7	Very low	37.7	Very low	142 Å²	142	126.6 Å²	126.6	87%	0.871	70%	0.695	S	S	*	*			trans	-80.6	74.8	-172.5	48.1	0	0	0	0	113.9
308	T	38.9	Very low	39.3	Very low	100 Å²	100	123 Å²	123	61%	0.613	68%	0.682	S	S	*	*			trans	37.5	118.4	141.7	63.9	0	0	0	0	121.2	G306 V310	G306-T308 PolarHBondContact O-N 3.35Å; T308-V310 VanDerWaalsContact C-N 3.34Å; T308-V310 HydrophobicContact CG2-CB 4.16Å; T308-V310 HydrophobicContact CG2-CG2 3.67Å
309	P	39.8	Very low	41.2	Very low	116 Å²	116	115.1 Å²	115.1	75%	0.753	66%	0.655	S	S	*	*			trans	-94.3	15	143.2	35.9	-33.2	0	0	0	112.8	K311 R312	P309-K311 VanDerWaalsContact C-N 3.28Å; P309-K311 PolarHBondContact O-N 3.03Å; P309-R312 PolarHBondContact O-N 3.21Å
310	V	42.2	Very low	43.3	Very low	83 Å²	83	108.4 Å²	108.4	50%	0.503	62%	0.619	S	S	.	*	H	α-helix	trans	-54.9	-30.5	-162.9	171.1	0	0	0	0	115.2	T308 R312 Q313 T314	T308-V310 VanDerWaalsContact C-N 3.34Å; T308-V310 HydrophobicContact CG2-CB 4.16Å; T308-V310 HydrophobicContact CG2-CG2 3.67Å; V310-R312 PolarHBondContact O-N 2.97Å; V310-R312 VanDerWaalsContact O-N 3.14Å; V310-Q313 PolarHBondContact O-N 3.15Å; V310-T314 HydrophobicContact CG1-CG2 4.37Å; V310-T314 PolarHBondContact O-OG1 2.71Å
311	K	41.9	Very low	45.4	Very low	196 Å²	196	102.9 Å²	102.9	85%	0.852	60%	0.602	S	S	*	*	H	α-helix	trans	-65.5	-13.9	-177.2	-71.1	-171.8	177.4	-178.2	0	115.1	P309 T314	P309-K311 VanDerWaalsContact C-N 3.28Å; P309-K311 PolarHBondContact O-N 3.03Å; K311-T314 PolarHBondContact O-OG1 2.91Å
312	R	40.5	Very low	47.5	Very low	149 Å²	149	98.4 Å²	98.4	56%	0.562	58%	0.576	S	S	*	*	H	α-helix	trans	-88.4	-41.6	175	-71.1	-174.3	178.5	174.8	1.4	113	P309 V310 T314	P309-R312 PolarHBondContact O-N 3.21Å; V310-R312 PolarHBondContact O-N 2.97Å; V310-R312 VanDerWaalsContact O-N 3.14Å; R312-T314 VanDerWaalsContact C-N 3.27Å; R312-T314 PolarHBondContact O-N 3.21Å
313	Q	46.8	Very low	49.4	Very low	129 Å²	129	93.7 Å²	93.7	60%	0.603	54%	0.541	S	S	*	.	H	α-helix	trans	-62.4	-35.5	-177.3	-146.2	78	13.7	0	0	112.4	V310 N317	V310-Q313 PolarHBondContact O-N 3.15Å; Q313-N317 WeakPolarHBondContact O-CB 3.32Å; Q313-N317 VanDerWaalsContact O-CG 3.25Å; Q313-N317 PolarHBondContact O-N 2.96Å; Q313-N317 VanDerWaalsContact O-N 3.11Å; Q313-N317 PolarHBondContact O-ND2 2.72Å
314	T	51.6	Low	51.9	Low	81 Å²	81	95.2 Å²	95.2	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-37.7	-175.6	45.8	0	0	0	0	113.6	V310 K311 R312 S318	V310-T314 HydrophobicContact CG1-CG2 4.37Å; V310-T314 PolarHBondContact O-OG1 2.71Å; K311-T314 PolarHBondContact O-OG1 2.91Å; R312-T314 VanDerWaalsContact C-N 3.27Å; R312-T314 PolarHBondContact O-N 3.21Å; T314-S318 WeakPolarHBondContact O-CB 3.45Å; T314-S318 PolarHBondContact O-N 3.49Å
315	W	46.4	Very low	54.4	Low	139 Å²	139	92.6 Å²	92.6	53%	0.527	51%	0.512	S	S	.	.	H	α-helix	trans	-71.4	-43.6	-179.4	-175.4	83.2	0	0	0	112.4	L218 S318 T319	L218-W315 HydrophobicContact CD2-CH2 4.05Å; L218-W315 HydrophobicContact CD2-CZ3 3.83Å; W315-S318 PolarHBondContact O-N 3.46Å; W315-T319 HydrophobicContact CD2-CG2 4.19Å; W315-T319 HydrophobicContact CZ2-CG2 3.98Å; W315-T319 WeakPolarHBondContact O-CG2 3.38Å; W315-T319 PolarHBondContact O-N 2.99Å; W315-T319 PolarHBondContact O-OG1 2.9Å
316	Y	52.5	Low	56.8	Low	53 Å²	53	90.3 Å²	90.3	21%	0.208	48%	0.479	C	S	.	.	H	α-helix	trans	-60.3	-47.9	173.9	-179.7	-90.9	0	0	0	111.1	E221 A225 Q228 S318 T319 L320	E221-Y316 HydrophobicContact CB-CD2 4.46Å; E221-Y316 WeakPolarHBondContact O-CE2 3.22Å; A225-Y316 HydrophobicContact CB-CE2 3.88Å; Q228-Y316 PolarHBondContact OE1-OH 3.42Å; Y316-S318 PolarHBondContact O-N 3.34Å; Y316-T319 PolarHBondContact O-OG1 3.32Å; Y316-T319 VanDerWaalsContact O-OG1 3.08Å; Y316-L320 HydrophobicContact CE1-CD1 3.66Å; Y316-L320 VanDerWaalsContact O-CB 3.25Å; Y316-L320 WeakPolarHBondContact O-CB 3.29Å; Y316-L320 PolarHBondContact O-N 2.83Å; Y316-L320 WeakPolarHBondContact OH-CD1 3.18Å
317	N	57.7	Low	59.5	Low	89 Å²	89	87.7 Å²	87.7	48%	0.476	45%	0.448	S	S	.	.	H	α-helix	trans	-64.7	-38.9	179.4	-71.4	-9.4	0	0	0	112.6	Q313 A321	Q313-N317 WeakPolarHBondContact O-CB 3.32Å; Q313-N317 VanDerWaalsContact O-CG 3.25Å; Q313-N317 PolarHBondContact O-N 2.96Å; Q313-N317 VanDerWaalsContact O-N 3.11Å; Q313-N317 PolarHBondContact O-ND2 2.72Å; N317-A321 WeakPolarHBondContact O-CB 3.4Å; N317-A321 PolarHBondContact O-N 2.83Å
318	S	60	Low	61.7	Low	72 Å²	72	86 Å²	86	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-66.2	-50.7	178.1	178.1	0	0	0	0	112	T314 W315 Y316 L320 A321 S322	T314-S318 WeakPolarHBondContact O-CB 3.45Å; T314-S318 PolarHBondContact O-N 3.49Å; W315-S318 PolarHBondContact O-N 3.46Å; Y316-S318 PolarHBondContact O-N 3.34Å; S318-L320 VanDerWaalsContact C-N 3.34Å; S318-L320 PolarHBondContact O-N 2.92Å; S318-A321 PolarHBondContact O-N 3.16Å; S318-S322 PolarHBondContact O-N 2.7Å; S318-S322 PolarHBondContact O-OG 3.27Å
319	T	69.2	Low	63.7	Low	39 Å²	39	84 Å²	84	24%	0.239	43%	0.431	C	S	.	.	H	α-helix	trans	-62.3	-40.3	178.7	51.5	0	0	0	0	112	W315 Y316 S322 R323	W315-T319 HydrophobicContact CD2-CG2 4.19Å; W315-T319 HydrophobicContact CZ2-CG2 3.98Å; W315-T319 WeakPolarHBondContact O-CG2 3.38Å; W315-T319 PolarHBondContact O-N 2.99Å; W315-T319 PolarHBondContact O-OG1 2.9Å; Y316-T319 PolarHBondContact O-OG1 3.32Å; Y316-T319 VanDerWaalsContact O-OG1 3.08Å; T319-S322 PolarHBondContact O-N 2.92Å; T319-R323 WeakPolarHBondContact O-CG 3.23Å; T319-R323 PolarHBondContact O-N 3.45Å
320	L	73.3	Confident	65.8	Low	7 Å²	7	79.3 Å²	79.3	4%	0.037	40%	0.399	C	S	.	.	H	α-helix	trans	-66.5	-38.8	176.7	-161.1	152	0	0	0	112	A225 Q228 Y316 S318 R323 R324	A225-L320 HydrophobicContact CB-CD1 4Å; Q228-L320 HydrophobicContact CG-CD1 4.41Å; Y316-L320 HydrophobicContact CE1-CD1 3.66Å; Y316-L320 VanDerWaalsContact O-CB 3.25Å; Y316-L320 WeakPolarHBondContact O-CB 3.29Å; Y316-L320 PolarHBondContact O-N 2.83Å; Y316-L320 WeakPolarHBondContact OH-CD1 3.18Å; S318-L320 VanDerWaalsContact C-N 3.34Å; S318-L320 PolarHBondContact O-N 2.92Å; L320-R323 PolarHBondContact O-N 3.31Å; L320-R324 HydrophobicContact CD2-CG 4.05Å; L320-R324 WeakPolarHBondContact O-CG 3.11Å; L320-R324 PolarHBondContact O-N 2.93Å
321	A	75.6	Confident	67.9	Low	52 Å²	52	76.4 Å²	76.4	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-62.8	-42.7	173.4	0	0	0	0	0	112.6	N317 S318 R324 K325	N317-A321 WeakPolarHBondContact O-CB 3.4Å; N317-A321 PolarHBondContact O-N 2.83Å; S318-A321 PolarHBondContact O-N 3.16Å; A321-R324 PolarHBondContact O-N 3.48Å; A321-K325 PolarHBondContact O-N 3.47Å
322	S	75.4	Confident	69.9	Low	40 Å²	40	72.8 Å²	72.8	28%	0.28	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-37.8	174.6	-62.3	0	0	0	0	112.7	S318 T319 R326 N370	S318-S322 PolarHBondContact O-N 2.7Å; S318-S322 PolarHBondContact O-OG 3.27Å; T319-S322 PolarHBondContact O-N 2.92Å; S322-R326 PolarHBondContact O-N 3.02Å; S322-N370 WeakPolarHBondContact CB-OD1 3.25Å
323	R	77.9	Confident	72	Confident	31 Å²	31	66.4 Å²	66.4	12%	0.117	34%	0.343	C	S	.	.	H	α-helix	trans	-66.4	-43.2	173.4	-68.8	-177.3	179	173.4	0.4	111.8	S222 I229 T319 L320 R326 L327 T367	S222-R323 PolarHBondContact O-NH1 3.17Å; S222-R323 PolarHBondContact OG-NH2 2.93Å; I229-R323 HydrophobicContact CD1-CB 3.46Å; I229-R323 VanDerWaalsContact CD1-CB 3.46Å; I229-R323 HydrophobicContact CD1-CG 4.04Å; I229-R323 HydrophobicContact CG1-CB 4.45Å; T319-R323 WeakPolarHBondContact O-CG 3.23Å; T319-R323 PolarHBondContact O-N 3.45Å; L320-R323 PolarHBondContact O-N 3.31Å; R323-R326 PolarHBondContact O-N 2.74Å; R323-L327 PolarHBondContact O-N 3.48Å; R323-T367 HydrophobicContact CB-CG2 4.36Å; R323-T367 HydrophobicContact CG-CG2 4.28Å
324	R	80	Confident	73.8	Confident	109 Å²	109	60.2 Å²	60.2	41%	0.411	31%	0.314	S	S	.	.	H	α-helix	trans	-56.4	-51.1	174.7	-80.7	176.4	173.3	164.1	-1.8	112.6	E232 L320 A321 R326 L327 T328	E232-R324 IonicContact OE1-CZ 3.95Å; E232-R324 IonicContact OE1-NE 3.48Å; E232-R324 IonicContact OE1-NH2 2.88Å; E232-R324 PolarHBondContact OE1-NH2 2.83Å; E232-R324 IonicContact OE2-CZ 2.64Å; E232-R324 IonicContact OE2-NE 2.63Å; E232-R324 PolarHBondContact OE2-NE 2.7Å; E232-R324 IonicContact OE2-NH2 3.97Å; E232-R324 PolarHBondContact OE2-NH2 3.32Å; L320-R324 HydrophobicContact CD2-CG 4.05Å; L320-R324 WeakPolarHBondContact O-CG 3.11Å; L320-R324 PolarHBondContact O-N 2.93Å; A321-R324 PolarHBondContact O-N 3.48Å; R324-R326 PolarHBondContact O-N 2.77Å; R324-L327 WeakPolarHBondContact O-CB 3.3Å; R324-L327 PolarHBondContact O-N 3.11Å; R324-T328 PolarHBondContact O-N 3.19Å; R324-T328 PolarHBondContact O-OG1 3.27Å
325	K	82.9	Confident	75.3	Confident	169 Å²	169	57.5 Å²	57.5	74%	0.735	30%	0.296	S	S	*	.	H	α-helix	trans	-55.5	-38.7	-179.4	-175.4	178.3	178.9	-179	0	112.2	A321 A329	A321-K325 PolarHBondContact O-N 3.47Å; K325-A329 PolarHBondContact O-N 2.87Å
326	R	78.9	Confident	77.1	Confident	31 Å²	31	57.1 Å²	57.1	12%	0.117	30%	0.3	C	S	.	.	H	α-helix	trans	-72.9	-38.4	176.7	-69	-172.5	-70.7	151.5	-10.7	112.8	S322 R323 R324 T328 A329 H330 F366 T367 Y369 N370	S322-R326 PolarHBondContact O-N 3.02Å; R323-R326 PolarHBondContact O-N 2.74Å; R324-R326 PolarHBondContact O-N 2.77Å; R326-T328 VanDerWaalsContact C-N 3.31Å; R326-T328 PolarHBondContact O-N 2.65Å; R326-A329 PolarHBondContact O-N 2.92Å; R326-H330 WeakPolarHBondContact O-CB 3.38Å; R326-H330 PolarHBondContact O-CD2 3.2Å; R326-H330 VanDerWaalsContact O-CD2 3.3Å; R326-H330 PolarHBondContact O-N 3.32Å; R326-F366 HydrophobicContact CB-CE1 4.31Å; R326-F366 HydrophobicContact CB-CZ 4.09Å; R326-F366 PolarHBondContact NH1-O 2.96Å; R326-T367 PolarHBondContact NH2-O 3.06Å; R326-Y369 PolarHBondContact NH1-O 3.4Å; R326-Y369 PolarHBondContact NH2-O 3.28Å; R326-N370 PolarHBondContact NE-OD1 3.42Å; R326-N370 VanDerWaalsContact NE-OD1 3.13Å; R326-N370 PolarHBondContact NH2-OD1 3.26Å; R326-N370 VanDerWaalsContact NH2-OD1 3.15Å
327	L	83	Confident	78.5	Confident	14 Å²	14	55.4 Å²	55.4	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-58.6	-43.2	173.3	-172.5	119.6	0	0	0	111.5	I229 F233 R323 R324 H330 F331 L334 L363	I229-L327 HydrophobicContact CG2-CD1 3.7Å; F233-L327 HydrophobicContact CB-CD1 3.89Å; F233-L327 HydrophobicContact CB-CD2 4.16Å; F233-L327 HydrophobicContact CD2-CD1 4.08Å; F233-L327 HydrophobicContact CD2-CD2 4.27Å; F233-L327 HydrophobicContact CD2-CG 4.39Å; F233-L327 HydrophobicContact CG-CD1 4.31Å; R323-L327 PolarHBondContact O-N 3.48Å; R324-L327 WeakPolarHBondContact O-CB 3.3Å; R324-L327 PolarHBondContact O-N 3.11Å; L327-H330 CarbonylContact O-C 3.43Å; L327-H330 PolarHBondContact O-N 2.64Å; L327-F331 HydrophobicContact CD2-CD2 4.15Å; L327-F331 VanDerWaalsContact O-CA 3.29Å; L327-F331 WeakPolarHBondContact O-CA 3.34Å; L327-F331 WeakPolarHBondContact O-CB 3.32Å; L327-F331 PolarHBondContact O-N 2.83Å; L327-L334 HydrophobicContact CD1-CD1 4.04Å; L327-L334 HydrophobicContact CG-CD1 4.1Å; L327-L363 HydrophobicContact CD1-CD2 3.84Å
328	T	81.3	Confident	79.7	Confident	106 Å²	106	53 Å²	53	65%	0.65	28%	0.28	S	S	*	.	H	α-helix	trans	-62.2	-46.4	175.8	-47.9	0	0	0	0	112.1	R324 R326 H330 F331	R324-T328 PolarHBondContact O-N 3.19Å; R324-T328 PolarHBondContact O-OG1 3.27Å; R326-T328 VanDerWaalsContact C-N 3.31Å; R326-T328 PolarHBondContact O-N 2.65Å; T328-H330 VanDerWaalsContact C-N 3.27Å; T328-H330 PolarHBondContact O-N 2.97Å; T328-F331 WeakPolarHBondContact O-CB 3.25Å; T328-F331 PolarHBondContact O-N 3.28Å
329	A	81.8	Confident	80.7	Confident	59 Å²	59	53.4 Å²	53.4	49%	0.488	27%	0.273	S	S	.	.	H	α-helix	trans	-66.1	-27.3	-179.6	0	0	0	0	0	113.9	K325 R326 K640	K325-A329 PolarHBondContact O-N 2.87Å; R326-A329 PolarHBondContact O-N 2.92Å; A329-K640 PolarHBondContact O-NZ 3.46Å
330	H	83.6	Confident	81	Confident	17 Å²	17	54.6 Å²	54.6	8%	0.079	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	10.1	179.8	-69.7	-110.4	0	0	0	113.4	R326 L327 T328 E332 D333 L334 F366 T641	R326-H330 WeakPolarHBondContact O-CB 3.38Å; R326-H330 PolarHBondContact O-CD2 3.2Å; R326-H330 VanDerWaalsContact O-CD2 3.3Å; R326-H330 PolarHBondContact O-N 3.32Å; L327-H330 CarbonylContact O-C 3.43Å; L327-H330 PolarHBondContact O-N 2.64Å; T328-H330 VanDerWaalsContact C-N 3.27Å; T328-H330 PolarHBondContact O-N 2.97Å; H330-E332 PolarHBondContact O-N 3.41Å; H330-D333 WeakPolarHBondContact O-CB 3.41Å; H330-D333 PolarHBondContact O-N 3.49Å; H330-L334 HydrophobicContact CB-CD1 4.01Å; H330-L334 HydrophobicContact CB-CG 4.33Å; H330-L334 PolarHBondContact O-N 3.27Å; H330-F366 HydrophobicContact CB-CE1 4.21Å; H330-F366 HydrophobicContact CB-CE2 4.45Å; H330-F366 HydrophobicContact CB-CZ 3.75Å; H330-F366 AromaticContact CD2-CZ 3.56Å; H330-F366 AromaticContact CE1-CE2 3.78Å; H330-F366 AromaticContact CG-CE2 3.82Å; H330-F366 AromaticContact CG-CZ 3.4Å; H330-F366 VanDerWaalsContact CG-CZ 3.4Å; H330-F366 AromaticContact ND1-CE2 3.64Å; H330-F366 AromaticContact ND1-CZ 3.75Å; H330-F366 AromaticContact NE2-CZ 3.99Å; H330-T641 PolarHBondContact CE1-O 3.49Å; H330-T641 PolarHBondContact NE2-O 3.32Å
331	F	85.3	Confident	80.8	Confident	23 Å²	23	57.2 Å²	57.2	10%	0.101	30%	0.297	C	S	.	.	H	α-helix	trans	-56.7	-48.7	-166.3	-170.5	-88.7	0	0	0	113.4	F233 E236 A237 L327 T328 D333 L334 E335	F233-F331 AromaticContact CD2-CD2 3.97Å; F233-F331 HydrophobicContact CD2-CD2 3.97Å; F233-F331 AromaticContact CD2-CE2 3.53Å; F233-F331 HydrophobicContact CD2-CE2 3.53Å; F233-F331 HydrophobicContact CD2-CZ 4.25Å; F233-F331 HydrophobicContact CE2-CD2 4.16Å; F233-F331 AromaticContact CE2-CE2 3.77Å; F233-F331 HydrophobicContact CE2-CE2 3.77Å; F233-F331 HydrophobicContact CE2-CZ 4.12Å; E236-F331 HydrophobicContact CB-CE2 3.81Å; E236-F331 HydrophobicContact CB-CZ 4.03Å; E236-F331 HydrophobicContact CG-CD2 4.25Å; E236-F331 HydrophobicContact CG-CE1 4.49Å; E236-F331 HydrophobicContact CG-CE2 3.45Å; E236-F331 VanDerWaalsContact CG-CE2 3.45Å; E236-F331 HydrophobicContact CG-CZ 3.6Å; A237-F331 HydrophobicContact CB-CZ 4Å; L327-F331 HydrophobicContact CD2-CD2 4.15Å; L327-F331 VanDerWaalsContact O-CA 3.29Å; L327-F331 WeakPolarHBondContact O-CA 3.34Å; L327-F331 WeakPolarHBondContact O-CB 3.32Å; L327-F331 PolarHBondContact O-N 2.83Å; T328-F331 WeakPolarHBondContact O-CB 3.25Å; T328-F331 PolarHBondContact O-N 3.28Å; F331-D333 VanDerWaalsContact C-N 3.28Å; F331-D333 PolarHBondContact O-N 3.48Å; F331-L334 PolarHBondContact O-N 3.29Å; F331-E335 HydrophobicContact CE1-CB 4.33Å; F331-E335 VanDerWaalsContact O-CB 3.29Å; F331-E335 WeakPolarHBondContact O-CB 3.44Å; F331-E335 PolarHBondContact O-N 3.05Å
332	E	84.3	Confident	80.5	Confident	120 Å²	120	58 Å²	58	56%	0.561	29%	0.291	S	S	*	.	H	α-helix	trans	-59.1	-39.2	178.7	-52.2	158.6	128	0	0	112.4	H330 E335 Q336 K640	H330-E332 PolarHBondContact O-N 3.41Å; E332-E335 PolarHBondContact O-N 2.91Å; E332-Q336 WeakPolarHBondContact O-CB 3.34Å; E332-Q336 VanDerWaalsContact O-CG 3.28Å; E332-Q336 WeakPolarHBondContact O-CG 3.09Å; E332-Q336 PolarHBondContact O-N 2.93Å; E332-K640 IonicContact OE2-NZ 2.71Å; E332-K640 PolarHBondContact OE2-NZ 3.19Å
333	D	83.9	Confident	79.7	Confident	14 Å²	14	62.4 Å²	62.4	8%	0.075	31%	0.309	C	S	.	.	H	α-helix	trans	-75.5	-36.9	-175.5	-144.5	31.7	0	0	0	109.7	H330 F331 C337 L638 S639 K640	H330-D333 WeakPolarHBondContact O-CB 3.41Å; H330-D333 PolarHBondContact O-N 3.49Å; F331-D333 VanDerWaalsContact C-N 3.28Å; F331-D333 PolarHBondContact O-N 3.48Å; D333-C337 VanDerWaalsContact O-CB 3.3Å; D333-C337 WeakPolarHBondContact O-CB 3.46Å; D333-C337 PolarHBondContact O-N 2.97Å; D333-L638 HydrophobicContact CB-CD2 4.29Å; D333-S639 VanDerWaalsContact OD1-CB 3.26Å; D333-S639 WeakPolarHBondContact OD1-CB 3.35Å; D333-S639 PolarHBondContact OD1-OG 2.86Å; D333-S639 WeakPolarHBondContact OD2-CA 3.02Å; D333-S639 PolarHBondContact OD2-N 3.28Å; D333-K640 HydrophobicContact CB-CD 4.42Å; D333-K640 HydrophobicContact CB-CG 4.49Å; D333-K640 PolarHBondContact OD2-N 2.99Å
334	L	84.8	Confident	78.7	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-70.6	-38.1	170.6	-75.9	165.3	0	0	0	112.5	F233 L327 H330 F331 C337 Y338 F359 L363 F366 L638	F233-L334 HydrophobicContact CE2-CB 3.85Å; F233-L334 HydrophobicContact CZ-CB 4.37Å; L327-L334 HydrophobicContact CD1-CD1 4.04Å; L327-L334 HydrophobicContact CG-CD1 4.1Å; H330-L334 HydrophobicContact CB-CD1 4.01Å; H330-L334 HydrophobicContact CB-CG 4.33Å; H330-L334 PolarHBondContact O-N 3.27Å; F331-L334 PolarHBondContact O-N 3.29Å; L334-C337 WeakPolarHBondContact O-CB 3.34Å; L334-C337 PolarHBondContact O-N 2.93Å; L334-Y338 WeakPolarHBondContact O-CB 3.45Å; L334-Y338 PolarHBondContact O-N 3.32Å; L334-F359 HydrophobicContact CD2-CE2 4.36Å; L334-F359 HydrophobicContact CD2-CZ 4.46Å; L334-L363 HydrophobicContact CD1-CD2 4.08Å; L334-L363 HydrophobicContact CD2-CD2 3.66Å; L334-L363 HydrophobicContact CD2-CG 4.44Å; L334-F366 HydrophobicContact CD1-CD1 4.36Å; L334-F366 HydrophobicContact CD1-CE1 4.1Å; L334-F366 HydrophobicContact CD2-CD1 4.41Å; L334-L638 HydrophobicContact CD2-CD1 3.88Å; L334-L638 HydrophobicContact CD2-CD2 3.98Å; L334-L638 HydrophobicContact CG-CD1 4.3Å; L334-L638 HydrophobicContact CG-CD2 4.18Å
335	E	83.9	Confident	77.3	Confident	24 Å²	24	66.5 Å²	66.5	11%	0.112	34%	0.335	C	S	.	.	H	α-helix	trans	-65.5	-46.4	175.4	-176.8	174.4	-168.2	0	0	110.7	K241 F331 E332 C337 Y338 F339	K241-E335 WeakPolarHBondContact CE-OE1 3.44Å; K241-E335 IonicContact NZ-OE1 2.75Å; K241-E335 PolarHBondContact NZ-OE1 3.31Å; F331-E335 HydrophobicContact CE1-CB 4.33Å; F331-E335 VanDerWaalsContact O-CB 3.29Å; F331-E335 WeakPolarHBondContact O-CB 3.44Å; F331-E335 PolarHBondContact O-N 3.05Å; E332-E335 PolarHBondContact O-N 2.91Å; E335-C337 VanDerWaalsContact C-N 3.33Å; E335-C337 PolarHBondContact O-N 2.86Å; E335-Y338 PolarHBondContact O-N 2.85Å; E335-F339 HydrophobicContact CG-CD2 3.63Å; E335-F339 HydrophobicContact CG-CE2 3.66Å; E335-F339 VanDerWaalsContact O-CD2 3.32Å; E335-F339 WeakPolarHBondContact O-CD2 3.45Å; E335-F339 PolarHBondContact O-N 3.08Å
336	Q	83.4	Confident	75.9	Confident	130 Å²	130	64.1 Å²	64.1	61%	0.607	33%	0.329	S	S	*	.	H	α-helix	trans	-61.1	-39.9	171.4	-73	177.2	27.1	0	0	111.8	E332 S340	E332-Q336 WeakPolarHBondContact O-CB 3.34Å; E332-Q336 VanDerWaalsContact O-CG 3.28Å; E332-Q336 WeakPolarHBondContact O-CG 3.09Å; E332-Q336 PolarHBondContact O-N 2.93Å; Q336-S340 WeakPolarHBondContact O-CB 3.36Å; Q336-S340 PolarHBondContact O-N 2.81Å; Q336-S340 PolarHBondContact O-OG 3.33Å
337	C	82.1	Confident	74.6	Confident	18 Å²	18	69 Å²	69	12%	0.122	36%	0.363	C	S	.	.	H	α-helix	trans	-62.8	-45.8	174.8	-174.2	0	0	0	0	112.3	D333 L334 E335 S340 N341 C362 L638	D333-C337 VanDerWaalsContact O-CB 3.3Å; D333-C337 WeakPolarHBondContact O-CB 3.46Å; D333-C337 PolarHBondContact O-N 2.97Å; L334-C337 WeakPolarHBondContact O-CB 3.34Å; L334-C337 PolarHBondContact O-N 2.93Å; E335-C337 VanDerWaalsContact C-N 3.33Å; E335-C337 PolarHBondContact O-N 2.86Å; C337-S340 PolarHBondContact O-OG 3.45Å; C337-N341 PolarHBondContact O-N 2.92Å; C337-N341 VanDerWaalsContact O-N 3.11Å; C337-C362 VanDerWaalsContact SG-SG 3.64Å; C337-L638 HydrophobicContact CB-CD2 4.07Å
338	Y	83.1	Confident	72.9	Confident	39 Å²	39	72.1 Å²	72.1	15%	0.153	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-52.7	177.8	179	-106	0	0	0	111.7	F233 L234 L334 E335 N341 K342 F359	F233-Y338 HydrophobicContact CE1-CD2 4.39Å; F233-Y338 HydrophobicContact CE1-CG 4.11Å; F233-Y338 HydrophobicContact CZ-CG 4.5Å; L234-Y338 HydrophobicContact CD2-CE1 4.4Å; L234-Y338 HydrophobicContact CD2-CE2 4.03Å; L334-Y338 WeakPolarHBondContact O-CB 3.45Å; L334-Y338 PolarHBondContact O-N 3.32Å; E335-Y338 PolarHBondContact O-N 2.85Å; Y338-N341 PolarHBondContact O-N 3.03Å; Y338-K342 HydrophobicContact CE1-CG 4.29Å; Y338-K342 HydrophobicContact CE2-CG 4.29Å; Y338-K342 WeakPolarHBondContact O-CB 3.44Å; Y338-K342 WeakPolarHBondContact O-CG 3.48Å; Y338-K342 PolarHBondContact O-N 3.39Å; Y338-F359 HydrophobicContact CD2-CB 4.32Å; Y338-F359 AromaticContact CD2-CD1 3.67Å; Y338-F359 HydrophobicContact CD2-CD1 3.67Å; Y338-F359 HydrophobicContact CD2-CD2 4.07Å; Y338-F359 AromaticContact CD2-CE1 3.93Å; Y338-F359 HydrophobicContact CD2-CE1 3.93Å; Y338-F359 HydrophobicContact CD2-CE2 4.33Å; Y338-F359 AromaticContact CD2-CG 3.74Å; Y338-F359 HydrophobicContact CD2-CG 3.74Å; Y338-F359 HydrophobicContact CD2-CZ 4.27Å; Y338-F359 HydrophobicContact CE2-CD1 4.29Å; Y338-F359 HydrophobicContact CG-CZ 4.48Å
339	F	80.7	Confident	71.2	Confident	80 Å²	80	75.8 Å²	75.8	35%	0.351	39%	0.389	S	S	.	.	H	α-helix	trans	-71.6	-34.2	-178.2	-75.2	-65	0	0	0	113	K241 E335 K342 M343	K241-F339 HydrophobicContact CD-CE2 4.49Å; K241-F339 HydrophobicContact CD-CZ 4.36Å; K241-F339 HydrophobicContact CG-CE2 4.34Å; K241-F339 HydrophobicContact CG-CZ 4.15Å; E335-F339 HydrophobicContact CG-CD2 3.63Å; E335-F339 HydrophobicContact CG-CE2 3.66Å; E335-F339 VanDerWaalsContact O-CD2 3.32Å; E335-F339 WeakPolarHBondContact O-CD2 3.45Å; E335-F339 PolarHBondContact O-N 3.08Å; F339-K342 PolarHBondContact O-N 3.18Å; F339-M343 WeakPolarHBondContact O-CB 3.5Å; F339-M343 PolarHBondContact O-N 2.84Å
340	S	75.6	Confident	69.6	Low	63 Å²	63	75.5 Å²	75.5	44%	0.441	39%	0.392	S	S	.	.	H	α-helix	trans	-66.2	-40.6	174.7	56.6	0	0	0	0	112.4	Q336 C337 S344	Q336-S340 WeakPolarHBondContact O-CB 3.36Å; Q336-S340 PolarHBondContact O-N 2.81Å; Q336-S340 PolarHBondContact O-OG 3.33Å; C337-S340 PolarHBondContact O-OG 3.45Å; S340-S344 VanDerWaalsContact O-CB 3.25Å; S340-S344 WeakPolarHBondContact O-CB 2.98Å; S340-S344 PolarHBondContact O-N 2.66Å; S340-S344 VanDerWaalsContact O-N 3.1Å; S340-S344 PolarHBondContact O-OG 3.35Å
341	N	70.2	Confident	68.1	Low	63 Å²	63	84.4 Å²	84.4	34%	0.337	43%	0.425	S	S	.	.	H	α-helix	trans	-63.2	-47.7	174.1	-159.3	37.2	0	0	0	110.8	C337 Y338 M343 S344 D358	C337-N341 PolarHBondContact O-N 2.92Å; C337-N341 VanDerWaalsContact O-N 3.11Å; Y338-N341 PolarHBondContact O-N 3.03Å; N341-M343 PolarHBondContact O-N 3.42Å; N341-S344 PolarHBondContact O-OG 2.97Å; N341-S344 VanDerWaalsContact O-OG 3.12Å; N341-D358 PolarHBondContact ND2-OD2 3.05Å
342	K	69.6	Low	66.5	Low	69 Å²	69	89 Å²	89	30%	0.3	45%	0.451	S	S	.	.	H	α-helix	trans	-59.5	-43.2	176.9	-80.3	-78.5	173.4	-172.5	0	114.2	Y338 F339	Y338-K342 HydrophobicContact CE1-CG 4.29Å; Y338-K342 HydrophobicContact CE2-CG 4.29Å; Y338-K342 WeakPolarHBondContact O-CB 3.44Å; Y338-K342 WeakPolarHBondContact O-CG 3.48Å; Y338-K342 PolarHBondContact O-N 3.39Å; F339-K342 PolarHBondContact O-N 3.18Å
343	M	58.2	Low	65	Low	132 Å²	132	90.9 Å²	90.9	65%	0.65	46%	0.463	S	S	*	.	H	α-helix	trans	-81.6	-29.4	-172	-162.8	75.6	-172.2	0	0	112.6	F339 N341 R345 I346	F339-M343 WeakPolarHBondContact O-CB 3.5Å; F339-M343 PolarHBondContact O-N 2.84Å; N341-M343 PolarHBondContact O-N 3.42Å; M343-R345 PolarHBondContact O-N 2.99Å; M343-I346 HydrophobicContact CE-CD1 4.07Å; M343-I346 PolarHBondContact O-N 3.01Å; M343-I346 HydrophobicContact SD-CD1 3.56Å; M343-I346 VanDerWaalsContact SD-CD1 3.56Å
344	S	55.5	Low	64.1	Low	73 Å²	73	94.1 Å²	94.1	51%	0.51	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-9.4	-171.9	69.2	0	0	0	0	116	S340 N341	S340-S344 VanDerWaalsContact O-CB 3.25Å; S340-S344 WeakPolarHBondContact O-CB 2.98Å; S340-S344 PolarHBondContact O-N 2.66Å; S340-S344 VanDerWaalsContact O-N 3.1Å; S340-S344 PolarHBondContact O-OG 3.35Å; N341-S344 PolarHBondContact O-OG 2.97Å; N341-S344 VanDerWaalsContact O-OG 3.12Å
345	R	52.5	Low	63.4	Low	152 Å²	152	95.7 Å²	95.7	57%	0.574	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.6	23.5	179.8	-70.3	-163.4	-167.7	-120.5	5.2	115.1	M343 T347 D348	M343-R345 PolarHBondContact O-N 2.99Å; R345-T347 PolarHBondContact O-N 3.28Å; R345-D348 HydrophobicContact CB-CB 4.02Å; R345-D348 WeakPolarHBondContact CD-OD2 3.28Å; R345-D348 HydrophobicContact CG-CB 4.13Å; R345-D348 IonicContact CZ-OD2 3.59Å; R345-D348 IonicContact NE-OD2 2.71Å; R345-D348 IonicContact NH1-OD2 3.36Å; R345-D348 PolarHBondContact NH1-OD2 3.32Å; R345-D348 PolarHBondContact O-N 2.78Å
346	I	52.1	Low	63	Low	119 Å²	119	97.7 Å²	97.7	61%	0.61	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.3	163.9	-62.9	-173.8	0	0	0	111	M343	M343-I346 HydrophobicContact CE-CD1 4.07Å; M343-I346 PolarHBondContact O-N 3.01Å; M343-I346 HydrophobicContact SD-CD1 3.56Å; M343-I346 VanDerWaalsContact SD-CD1 3.56Å
347	T	51.4	Low	62.8	Low	134 Å²	134	96.8 Å²	96.8	82%	0.822	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	4.9	172.6	56.5	0	0	0	0	114.8	R345	R345-T347 PolarHBondContact O-N 3.28Å
348	D	47.8	Very low	62.6	Low	80 Å²	80	99.7 Å²	99.7	43%	0.428	51%	0.509	S	S	.	.	S	Bend	trans	-141.6	79.1	-167	-166	36	0	0	0	111	R345 G350	R345-D348 HydrophobicContact CB-CB 4.02Å; R345-D348 WeakPolarHBondContact CD-OD2 3.28Å; R345-D348 HydrophobicContact CG-CB 4.13Å; R345-D348 IonicContact CZ-OD2 3.59Å; R345-D348 IonicContact NE-OD2 2.71Å; R345-D348 IonicContact NH1-OD2 3.36Å; R345-D348 PolarHBondContact NH1-OD2 3.32Å; R345-D348 PolarHBondContact O-N 2.78Å; D348-G350 VanDerWaalsContact C-N 3.34Å; D348-G350 PolarHBondContact O-N 2.71Å
349	E	45.8	Very low	62.6	Low	183 Å²	183	98 Å²	98	86%	0.855	50%	0.503	S	S	*	.			trans	-63	76.5	-174	-82.1	-72.9	179.9	0	0	113.6
350	G	48.8	Very low	62.7	Low	52 Å²	52	96.8 Å²	96.8	54%	0.536	50%	0.499	S	S	.	.	S	Bend	trans	172.9	42.9	178.7	0	0	0	0	0	120.4	D348	D348-G350 VanDerWaalsContact C-N 3.34Å; D348-G350 PolarHBondContact O-N 2.71Å
351	R	50.8	Low	63.1	Low	204 Å²	204	98.7 Å²	98.7	77%	0.77	50%	0.501	S	S	*	.			trans	-172.9	87.3	158.5	-97.7	144.6	-151.2	-135.3	10.5	112.3	Q355	R351-Q355 PolarHBondContact O-NE2 2.81Å
352	N	52.9	Low	63.8	Low	121 Å²	121	96.1 Å²	96.1	65%	0.647	49%	0.487	S	S	*	.			trans	-97.9	-8.7	-177	-79.9	-29.1	0	0	0	116.2	Q355	N352-Q355 PolarHBondContact OD1-NE2 3.43Å
353	L	52.6	Low	64.6	Low	158 Å²	158	93.1 Å²	93.1	83%	0.827	48%	0.475	S	S	*	.	S	Bend	trans	-85.8	-47	-172.5	-66	171.9	0	0	0	113.9	Q355	L353-Q355 PolarHBondContact O-N 3.31Å
354	N	63.9	Low	65.9	Low	83 Å²	83	88.6 Å²	88.6	44%	0.444	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-13.3	-170	-57.2	80.3	0	0	0	115.2	L356 E357 D358	N354-L356 PolarHBondContact O-N 2.97Å; N354-E357 PolarHBondContact ND2-OE2 3.32Å; N354-E357 WeakPolarHBondContact O-CA 3.49Å; N354-E357 VanDerWaalsContact O-CB 3.29Å; N354-E357 WeakPolarHBondContact O-CB 2.97Å; N354-E357 PolarHBondContact O-N 3.36Å; N354-D358 PolarHBondContact O-N 3.3Å
355	Q	70.1	Confident	67.4	Low	33 Å²	33	87.2 Å²	87.2	15%	0.154	44%	0.441	C	S	.	.	H	α-helix	trans	-56.2	-30.6	-172.9	-61.6	169.2	7.2	0	0	114.5	R351 N352 L353	R351-Q355 PolarHBondContact O-NE2 2.81Å; N352-Q355 PolarHBondContact OD1-NE2 3.43Å; L353-Q355 PolarHBondContact O-N 3.31Å
356	L	76.4	Confident	69	Low	66 Å²	66	80 Å²	80	35%	0.346	41%	0.414	S	S	.	.	H	α-helix	trans	-81.9	-28	176.4	-174	62.4	0	0	0	111.8	L230 L234 N354 M360	L230-L356 HydrophobicContact CD1-CD1 4.14Å; L230-L356 HydrophobicContact CD2-CD1 4.11Å; L230-L356 HydrophobicContact CD2-CG 4.36Å; L234-L356 HydrophobicContact CD1-CD1 4.33Å; N354-L356 PolarHBondContact O-N 2.97Å; L356-M360 VanDerWaalsContact O-CB 3.29Å; L356-M360 WeakPolarHBondContact O-CB 3.18Å; L356-M360 PolarHBondContact O-N 3.16Å
357	E	78.6	Confident	70.6	Confident	111 Å²	111	74.6 Å²	74.6	52%	0.519	39%	0.386	S	S	.	.	H	α-helix	trans	-71.4	-44.4	175.4	-51.6	-176.6	133.4	0	0	110.1	N354 F359 M360 E361	N354-E357 PolarHBondContact ND2-OE2 3.32Å; N354-E357 WeakPolarHBondContact O-CA 3.49Å; N354-E357 VanDerWaalsContact O-CB 3.29Å; N354-E357 WeakPolarHBondContact O-CB 2.97Å; N354-E357 PolarHBondContact O-N 3.36Å; E357-F359 VanDerWaalsContact C-N 3.27Å; E357-F359 PolarHBondContact O-N 2.71Å; E357-M360 CarbonylContact O-C 3.55Å; E357-M360 WeakPolarHBondContact O-CB 3.42Å; E357-M360 PolarHBondContact O-N 3.15Å; E357-M360 VanDerWaalsContact O-N 3.08Å; E357-E361 PolarHBondContact O-N 3.13Å
358	D	78	Confident	72.2	Confident	78 Å²	78	72.3 Å²	72.3	42%	0.417	36%	0.362	S	S	.	.	H	α-helix	trans	-53.9	-44.1	172.9	-54	-28.3	0	0	0	111.5	N341 N354 E361 C362	N341-D358 PolarHBondContact ND2-OD2 3.05Å; N354-D358 PolarHBondContact O-N 3.3Å; D358-E361 PolarHBondContact O-N 3.29Å; D358-C362 WeakPolarHBondContact O-CB 3.43Å; D358-C362 PolarHBondContact O-N 3.05Å
359	F	82.9	Confident	74	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.018	34%	0.343	C	S	.	.	H	α-helix	trans	-75.3	-31.5	178.6	-176.5	-106.5	0	0	0	112.7	L230 F233 L334 Y338 E357 C362 L363	L230-F359 HydrophobicContact CD1-CD1 3.75Å; L230-F359 HydrophobicContact CD1-CE1 3.8Å; F233-F359 AromaticContact CD1-CE1 3.59Å; F233-F359 HydrophobicContact CD1-CE1 3.59Å; F233-F359 AromaticContact CD1-CZ 3.86Å; F233-F359 HydrophobicContact CD1-CZ 3.86Å; F233-F359 AromaticContact CE1-CE1 3.4Å; F233-F359 HydrophobicContact CE1-CE1 3.4Å; F233-F359 HydrophobicContact CE1-CE2 4.48Å; F233-F359 AromaticContact CE1-CZ 3.36Å; F233-F359 HydrophobicContact CE1-CZ 3.36Å; F233-F359 HydrophobicContact CE2-CZ 4.3Å; F233-F359 HydrophobicContact CG-CE1 4.46Å; F233-F359 HydrophobicContact CZ-CE1 4.14Å; F233-F359 AromaticContact CZ-CZ 3.61Å; F233-F359 HydrophobicContact CZ-CZ 3.61Å; L334-F359 HydrophobicContact CD2-CE2 4.36Å; L334-F359 HydrophobicContact CD2-CZ 4.46Å; Y338-F359 HydrophobicContact CD2-CB 4.32Å; Y338-F359 AromaticContact CD2-CD1 3.67Å; Y338-F359 HydrophobicContact CD2-CD1 3.67Å; Y338-F359 HydrophobicContact CD2-CD2 4.07Å; Y338-F359 AromaticContact CD2-CE1 3.93Å; Y338-F359 HydrophobicContact CD2-CE1 3.93Å; Y338-F359 HydrophobicContact CD2-CE2 4.33Å; Y338-F359 AromaticContact CD2-CG 3.74Å; Y338-F359 HydrophobicContact CD2-CG 3.74Å; Y338-F359 HydrophobicContact CD2-CZ 4.27Å; Y338-F359 HydrophobicContact CE2-CD1 4.29Å; Y338-F359 HydrophobicContact CG-CZ 4.48Å; E357-F359 VanDerWaalsContact C-N 3.27Å; E357-F359 PolarHBondContact O-N 2.71Å; F359-C362 WeakPolarHBondContact O-CB 3.4Å; F359-C362 PolarHBondContact O-N 3.44Å; F359-L363 HydrophobicContact CD1-CD1 4.02Å; F359-L363 HydrophobicContact CE1-CD1 3.45Å; F359-L363 VanDerWaalsContact CE1-CD1 3.45Å; F359-L363 HydrophobicContact CE1-CG 3.98Å; F359-L363 HydrophobicContact CZ-CD1 3.92Å; F359-L363 HydrophobicContact CZ-CD2 4.45Å; F359-L363 HydrophobicContact CZ-CG 4Å; F359-L363 PolarHBondContact O-N 2.97Å
360	M	82.7	Confident	75.9	Confident	55 Å²	55	62.8 Å²	62.8	27%	0.271	32%	0.316	S	S	.	.	H	α-helix	trans	-67.1	-38.2	171.7	-165.4	-174.1	-39.8	0	0	111.2	L230 L356 E357 L363 S364	L230-M360 HydrophobicContact CD2-CB 4.25Å; L230-M360 HydrophobicContact CD2-CE 3.89Å; L230-M360 HydrophobicContact CD2-CG 4.1Å; L356-M360 VanDerWaalsContact O-CB 3.29Å; L356-M360 WeakPolarHBondContact O-CB 3.18Å; L356-M360 PolarHBondContact O-N 3.16Å; E357-M360 CarbonylContact O-C 3.55Å; E357-M360 WeakPolarHBondContact O-CB 3.42Å; E357-M360 PolarHBondContact O-N 3.15Å; E357-M360 VanDerWaalsContact O-N 3.08Å; M360-L363 PolarHBondContact O-N 2.66Å; M360-S364 VanDerWaalsContact O-CB 3.24Å; M360-S364 WeakPolarHBondContact O-CB 3.29Å; M360-S364 PolarHBondContact O-N 3.03Å
361	E	84.7	Confident	77.7	Confident	103 Å²	103	63.6 Å²	63.6	48%	0.481	31%	0.311	S	S	.	.	H	α-helix	trans	-65.6	-42.8	172.2	-160.1	-158.6	-157.7	0	0	110.8	E357 D358 L363 S364 K365	E357-E361 PolarHBondContact O-N 3.13Å; D358-E361 PolarHBondContact O-N 3.29Å; E361-L363 PolarHBondContact O-N 3.25Å; E361-S364 WeakPolarHBondContact O-CB 3.4Å; E361-S364 PolarHBondContact O-N 3.3Å; E361-S364 VanDerWaalsContact O-N 3.16Å; E361-K365 HydrophobicContact CG-CD 4.17Å; E361-K365 WeakPolarHBondContact O-CB 3.32Å; E361-K365 WeakPolarHBondContact O-CG 3.3Å; E361-K365 PolarHBondContact O-N 3.21Å; E361-K365 WeakPolarHBondContact OE1-CE 3.42Å; E361-K365 IonicContact OE1-NZ 2.67Å; E361-K365 PolarHBondContact OE1-NZ 3.43Å; E361-K365 IonicContact OE2-NZ 3.45Å; E361-K365 PolarHBondContact OE2-NZ 3.04Å
362	C	85.6	Confident	79.7	Confident	8 Å²	8	55.3 Å²	55.3	5%	0.054	28%	0.283	C	S	.	.	H	α-helix	trans	-57.1	-48.5	173.9	-175.4	0	0	0	0	112.2	C337 D358 F359 F366 Y635	C337-C362 VanDerWaalsContact SG-SG 3.64Å; D358-C362 WeakPolarHBondContact O-CB 3.43Å; D358-C362 PolarHBondContact O-N 3.05Å; F359-C362 WeakPolarHBondContact O-CB 3.4Å; F359-C362 PolarHBondContact O-N 3.44Å; C362-F366 VanDerWaalsContact O-CB 3.28Å; C362-F366 WeakPolarHBondContact O-CB 3.28Å; C362-F366 PolarHBondContact O-N 3.27Å; C362-Y635 WeakPolarHBondContact CA-OH 3.34Å
363	L	84.8	Confident	81.6	Confident	7 Å²	7	56.6 Å²	56.6	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-38.9	173.3	-81.5	173.2	0	0	0	112.6	L230 L327 L334 F359 M360 E361 T367	L230-L363 HydrophobicContact CB-CD1 4.22Å; L230-L363 HydrophobicContact CD1-CD1 3.86Å; L327-L363 HydrophobicContact CD1-CD2 3.84Å; L334-L363 HydrophobicContact CD1-CD2 4.08Å; L334-L363 HydrophobicContact CD2-CD2 3.66Å; L334-L363 HydrophobicContact CD2-CG 4.44Å; F359-L363 HydrophobicContact CD1-CD1 4.02Å; F359-L363 HydrophobicContact CE1-CD1 3.45Å; F359-L363 VanDerWaalsContact CE1-CD1 3.45Å; F359-L363 HydrophobicContact CE1-CG 3.98Å; F359-L363 HydrophobicContact CZ-CD1 3.92Å; F359-L363 HydrophobicContact CZ-CD2 4.45Å; F359-L363 HydrophobicContact CZ-CG 4Å; F359-L363 PolarHBondContact O-N 2.97Å; M360-L363 PolarHBondContact O-N 2.66Å; E361-L363 PolarHBondContact O-N 3.25Å; L363-T367 WeakPolarHBondContact O-CB 3.43Å; L363-T367 WeakPolarHBondContact O-CG2 3.45Å; L363-T367 PolarHBondContact O-N 2.7Å; L363-T367 PolarHBondContact O-OG1 3.3Å
364	S	85.2	Confident	83.5	Confident	36 Å²	36	52.1 Å²	52.1	25%	0.252	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-52.9	176.4	178.7	0	0	0	0	110.8	Q226 M360 E361 T367 R368	Q226-S364 PolarHBondContact NE2-OG 3.43Å; M360-S364 VanDerWaalsContact O-CB 3.24Å; M360-S364 WeakPolarHBondContact O-CB 3.29Å; M360-S364 PolarHBondContact O-N 3.03Å; E361-S364 WeakPolarHBondContact O-CB 3.4Å; E361-S364 PolarHBondContact O-N 3.3Å; E361-S364 VanDerWaalsContact O-N 3.16Å; S364-T367 PolarHBondContact O-N 2.85Å; S364-T367 PolarHBondContact O-OG1 3.32Å; S364-R368 PolarHBondContact O-N 2.96Å
365	K	87.2	Confident	84.8	Confident	44 Å²	44	50.9 Å²	50.9	19%	0.191	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-42.6	178.7	-69.6	172.9	177.7	172.4	0	112.2	E361 T367 R368 D620 Y621 Y635	E361-K365 HydrophobicContact CG-CD 4.17Å; E361-K365 WeakPolarHBondContact O-CB 3.32Å; E361-K365 WeakPolarHBondContact O-CG 3.3Å; E361-K365 PolarHBondContact O-N 3.21Å; E361-K365 WeakPolarHBondContact OE1-CE 3.42Å; E361-K365 IonicContact OE1-NZ 2.67Å; E361-K365 PolarHBondContact OE1-NZ 3.43Å; E361-K365 IonicContact OE2-NZ 3.45Å; E361-K365 PolarHBondContact OE2-NZ 3.04Å; K365-T367 VanDerWaalsContact C-N 3.34Å; K365-T367 PolarHBondContact O-N 2.92Å; K365-R368 WeakPolarHBondContact O-CB 3.33Å; K365-R368 PolarHBondContact O-N 3.32Å; K365-D620 HydrophobicContact CD-CB 4.44Å; K365-D620 WeakPolarHBondContact CD-OD2 3.37Å; K365-D620 WeakPolarHBondContact CE-OD2 3.19Å; K365-D620 IonicContact NZ-OD2 3.82Å; K365-D620 PolarHBondContact NZ-OD2 2.81Å; K365-Y621 WeakPolarHBondContact CA-OH 3.43Å; K365-Y621 PolarHBondContact O-OH 2.96Å; K365-Y635 HydrophobicContact CB-CD2 3.99Å; K365-Y635 HydrophobicContact CB-CE2 3.52Å; K365-Y635 HydrophobicContact CD-CE2 3.87Å; K365-Y635 HydrophobicContact CG-CE2 4.32Å
366	F	86.9	Confident	85.8	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-39.8	174.4	169.2	-117.3	0	0	0	112.6	R326 H330 L334 C362 Y635 L638 L642	R326-F366 HydrophobicContact CB-CE1 4.31Å; R326-F366 HydrophobicContact CB-CZ 4.09Å; R326-F366 PolarHBondContact NH1-O 2.96Å; H330-F366 HydrophobicContact CB-CE1 4.21Å; H330-F366 HydrophobicContact CB-CE2 4.45Å; H330-F366 HydrophobicContact CB-CZ 3.75Å; H330-F366 AromaticContact CD2-CZ 3.56Å; H330-F366 AromaticContact CE1-CE2 3.78Å; H330-F366 AromaticContact CG-CE2 3.82Å; H330-F366 AromaticContact CG-CZ 3.4Å; H330-F366 VanDerWaalsContact CG-CZ 3.4Å; H330-F366 AromaticContact ND1-CE2 3.64Å; H330-F366 AromaticContact ND1-CZ 3.75Å; H330-F366 AromaticContact NE2-CZ 3.99Å; L334-F366 HydrophobicContact CD1-CD1 4.36Å; L334-F366 HydrophobicContact CD1-CE1 4.1Å; L334-F366 HydrophobicContact CD2-CD1 4.41Å; C362-F366 VanDerWaalsContact O-CB 3.28Å; C362-F366 WeakPolarHBondContact O-CB 3.28Å; C362-F366 PolarHBondContact O-N 3.27Å; F366-Y635 HydrophobicContact CB-CD1 4.31Å; F366-L638 HydrophobicContact CB-CD1 3.91Å; F366-L638 HydrophobicContact CD1-CD1 4.14Å; F366-L638 HydrophobicContact CD2-CD1 3.45Å; F366-L638 VanDerWaalsContact CD2-CD1 3.45Å; F366-L638 HydrophobicContact CE2-CD1 3.99Å; F366-L638 HydrophobicContact CG-CD1 3.54Å; F366-L642 HydrophobicContact CD2-CD1 4.06Å; F366-L642 HydrophobicContact CD2-CG 3.96Å; F366-L642 HydrophobicContact CE2-CG 4.09Å
367	T	85.1	Confident	86.5	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.025	25%	0.25	C	S	.	.	H	α-helix	trans	-88.7	-8.1	-177.7	59.4	0	0	0	0	114.9	R323 R326 L363 S364 K365	R323-T367 HydrophobicContact CB-CG2 4.36Å; R323-T367 HydrophobicContact CG-CG2 4.28Å; R326-T367 PolarHBondContact NH2-O 3.06Å; L363-T367 WeakPolarHBondContact O-CB 3.43Å; L363-T367 WeakPolarHBondContact O-CG2 3.45Å; L363-T367 PolarHBondContact O-N 2.7Å; L363-T367 PolarHBondContact O-OG1 3.3Å; S364-T367 PolarHBondContact O-N 2.85Å; S364-T367 PolarHBondContact O-OG1 3.32Å; K365-T367 VanDerWaalsContact C-N 3.34Å; K365-T367 PolarHBondContact O-N 2.92Å
368	R	85.1	Confident	87.1	Confident	86 Å²	86	44.5 Å²	44.5	33%	0.325	23%	0.227	S	C	.	.	S	Bend	trans	-49.4	-61.7	-175.7	-178.5	175	168.3	131.8	-2.8	112.9	S364 K365 Y621 E679 N681	S364-R368 PolarHBondContact O-N 2.96Å; K365-R368 WeakPolarHBondContact O-CB 3.33Å; K365-R368 PolarHBondContact O-N 3.32Å; R368-Y621 WeakPolarHBondContact CD-OH 3.34Å; R368-E679 IonicContact CZ-OE1 3.54Å; R368-E679 IonicContact CZ-OE2 2.66Å; R368-E679 VanDerWaalsContact NH1-CD 3.33Å; R368-E679 IonicContact NH1-OE1 3.77Å; R368-E679 PolarHBondContact NH1-OE1 3.39Å; R368-E679 IonicContact NH1-OE2 2.97Å; R368-E679 PolarHBondContact NH1-OE2 2.73Å; R368-E679 VanDerWaalsContact NH2-CD 3.31Å; R368-E679 IonicContact NH2-OE1 2.68Å; R368-E679 PolarHBondContact NH2-OE1 2.79Å; R368-E679 IonicContact NH2-OE2 2.95Å; R368-E679 PolarHBondContact NH2-OE2 3.18Å; R368-N681 PolarHBondContact NH2-OD1 3.43Å
369	Y	86.7	Confident	87.6	Confident	8 Å²	8	44.1 Å²	44.1	3%	0.031	23%	0.231	C	C	.	.			trans	-95.9	146.1	178.9	-50	-57.6	0	0	0	110.9	R326 Y621 N681 L697	R326-Y369 PolarHBondContact NH1-O 3.4Å; R326-Y369 PolarHBondContact NH2-O 3.28Å; Y369-Y621 HydrophobicContact CD2-CD1 4.49Å; Y369-Y621 HydrophobicContact CD2-CE1 4Å; Y369-Y621 HydrophobicContact CD2-CE2 4.49Å; Y369-Y621 HydrophobicContact CE2-CD1 4.39Å; Y369-Y621 HydrophobicContact CE2-CD2 4.1Å; Y369-Y621 AromaticContact CE2-CE1 3.98Å; Y369-Y621 HydrophobicContact CE2-CE1 3.98Å; Y369-Y621 AromaticContact CE2-CE2 3.67Å; Y369-Y621 HydrophobicContact CE2-CE2 3.67Å; Y369-Y621 HydrophobicContact CE2-CG 4.44Å; Y369-Y621 AromaticContact CE2-CZ 3.6Å; Y369-N681 HydrophobicContact CE1-CB 4.18Å; Y369-N681 PolarHBondContact OH-OD1 3.22Å; Y369-L697 HydrophobicContact CD1-CB 3.56Å; Y369-L697 HydrophobicContact CD2-CB 4Å; Y369-L697 HydrophobicContact CD2-CD1 3.74Å; Y369-L697 HydrophobicContact CE1-CB 3.9Å; Y369-L697 HydrophobicContact CE2-CB 4.29Å; Y369-L697 HydrophobicContact CE2-CD1 3.84Å; Y369-L697 HydrophobicContact CG-CB 3.62Å; Y369-L697 HydrophobicContact CG-CD1 4.22Å
370	N	84.1	Confident	87.8	Confident	55 Å²	55	44 Å²	44	29%	0.294	23%	0.23	S	C	.	.			trans	-128.8	-17.3	-178.5	-172.7	77.6	0	0	0	113.7	S322 R326 L643 V698	S322-N370 WeakPolarHBondContact CB-OD1 3.25Å; R326-N370 PolarHBondContact NE-OD1 3.42Å; R326-N370 VanDerWaalsContact NE-OD1 3.13Å; R326-N370 PolarHBondContact NH2-OD1 3.26Å; R326-N370 VanDerWaalsContact NH2-OD1 3.15Å; N370-L643 WeakPolarHBondContact O-CD2 3.42Å; N370-V698 CarbonylContact C-O 3.38Å; N370-V698 WeakPolarHBondContact CA-O 3.38Å; N370-V698 PolarHBondContact N-O 3.07Å
371	T	87.2	Confident	87.7	Confident	70 Å²	70	43 Å²	43	43%	0.429	23%	0.23	S	C	.	.			trans	-147.7	160.5	-174.3	34.5	0	0	0	0	111	V698	T371-V698 PolarHBondContact N-O 2.96Å; T371-V698 PolarHBondContact O-N 3.18Å; T371-V698 PolarHBondContact OG1-O 2.86Å
372	V	92.8	Very high	86.7	Confident	30 Å²	30	41 Å²	41	18%	0.182	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.7	170.8	-171.9	0	0	0	0	107.7	L643 F645 L695 E696 L697	V372-L643 HydrophobicContact CG2-CB 4.2Å; V372-L643 HydrophobicContact CG2-CD1 3.9Å; V372-F645 HydrophobicContact CB-CB 4.18Å; V372-F645 HydrophobicContact CB-CD2 4.07Å; V372-F645 HydrophobicContact CB-CG 4.49Å; V372-F645 HydrophobicContact CG1-CB 4.14Å; V372-F645 HydrophobicContact CG1-CD2 3.94Å; V372-F645 HydrophobicContact CG1-CG 4.2Å; V372-F645 HydrophobicContact CG2-CB 4.24Å; V372-L695 HydrophobicContact CG1-CB 3.85Å; V372-L695 HydrophobicContact CG1-CD1 4.3Å; V372-L695 HydrophobicContact CG1-CD2 4.23Å; V372-L695 HydrophobicContact CG1-CG 4.34Å; V372-E696 CarbonylContact C-O 3.48Å; V372-E696 WeakPolarHBondContact CA-O 3.42Å; V372-L697 HydrophobicContact CB-CD2 4.41Å; V372-L697 HydrophobicContact CG1-CD2 4.23Å; V372-L697 HydrophobicContact CG2-CD2 3.76Å
373	R	92.7	Very high	85.5	Confident	147 Å²	147	44.1 Å²	44.1	56%	0.555	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.4	179	179.4	-174.2	-179.8	-172.6	1	109.7	L695 E696 V698	R373-L695 WeakPolarHBondContact O-CA 3.31Å; R373-E696 HydrophobicContact CB-CB 4.39Å; R373-E696 WeakPolarHBondContact CD-OE2 3.17Å; R373-E696 PolarHBondContact N-O 3.49Å; R373-E696 IonicContact NH1-OE2 3.42Å; R373-E696 PolarHBondContact O-N 3.3Å; R373-V698 HydrophobicContact CB-CG2 4.22Å
374	P	92.1	Very high	84.2	Confident	64 Å²	64	52.3 Å²	52.3	42%	0.416	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.3	166.5	30.1	-32.2	0	0	0	110.4	L695	P374-L695 HydrophobicContact CB-CD2 4.08Å
375	L	91.5	Very high	82.9	Confident	57 Å²	57	61.3 Å²	61.3	30%	0.298	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-45.1	172.7	-61.6	-175.9	0	0	0	111.3	I421 V682 V694 E696	L375-I421 HydrophobicContact CD1-CG2 4.47Å; L375-V682 HydrophobicContact CD1-CG2 4.44Å; L375-V694 HydrophobicContact CB-CB 4.32Å; L375-V694 HydrophobicContact CB-CG1 4.2Å; L375-V694 HydrophobicContact CD1-CG1 4.22Å; L375-V694 PolarHBondContact N-O 3.41Å; L375-E696 HydrophobicContact CD1-CB 4.03Å; L375-E696 HydrophobicContact CD2-CB 4.03Å; L375-E696 HydrophobicContact CG-CB 3.95Å
376	A	91.6	Very high	81.5	Confident	11 Å²	11	62.8 Å²	62.8	9%	0.091	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	156.3	-178.7	0	0	0	0	0	111.2	V420 K693 V694	A376-V420 HydrophobicContact CB-CG1 3.83Å; A376-V420 WeakPolarHBondContact CB-O 3.49Å; A376-K693 WeakPolarHBondContact O-CA 3.42Å; A376-V694 HydrophobicContact CB-CB 4.21Å; A376-V694 HydrophobicContact CB-CG2 4.07Å; A376-V694 PolarHBondContact O-N 3.08Å
377	T	91.4	Very high	80.6	Confident	59 Å²	59	67 Å²	67	36%	0.362	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.5	173.6	-57.9	0	0	0	0	109.1	T691 I692 K693	T377-T691 HydrophobicContact CG2-CG2 4.05Å; T377-I692 CarbonylContact C-O 3.6Å; T377-I692 VanDerWaalsContact CA-O 3.32Å; T377-I692 WeakPolarHBondContact CA-O 3.45Å; T377-K693 HydrophobicContact CG2-CG 4.06Å; T377-K693 PolarHBondContact OG1-NZ 2.93Å; T377-K693 VanDerWaalsContact OG1-NZ 3.15Å
378	L	90.8	Very high	80.6	Confident	7 Å²	7	69.1 Å²	69.1	4%	0.037	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153.5	179.5	-42.5	85.6	0	0	0	110.5	F403 F415 V420 H428 I692 V694	L378-F403 HydrophobicContact CD2-CE2 4.45Å; L378-F403 HydrophobicContact CD2-CZ 4.11Å; L378-F415 HydrophobicContact CD2-CD1 4.02Å; L378-F415 HydrophobicContact CD2-CE1 4.04Å; L378-F415 HydrophobicContact CD2-CG 4.32Å; L378-F415 HydrophobicContact CD2-CZ 4.36Å; L378-V420 HydrophobicContact CD1-CG1 3.99Å; L378-V420 HydrophobicContact CD2-CG1 3.95Å; L378-V420 HydrophobicContact CD2-CG2 3.91Å; L378-V420 HydrophobicContact CG-CG1 4.25Å; L378-H428 HydrophobicContact CD2-CB 4.01Å; L378-I692 HydrophobicContact CB-CB 4.14Å; L378-I692 HydrophobicContact CB-CD1 4Å; L378-I692 HydrophobicContact CD1-CB 4.13Å; L378-I692 HydrophobicContact CD1-CG2 3.83Å; L378-I692 PolarHBondContact N-O 2.61Å; L378-I692 PolarHBondContact O-N 2.91Å; L378-V694 HydrophobicContact CD1-CG2 4.19Å
379	S	89.4	Confident	80.9	Confident	70 Å²	70	66 Å²	66	49%	0.49	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.4	168.5	178.3	0	0	0	0	111.2	A381	S379-A381 VanDerWaalsContact C-N 3.35Å; S379-A381 PolarHBondContact OG-N 2.82Å; S379-A381 VanDerWaalsContact OG-N 3.14Å; S379-A381 PolarHBondContact OG-O 3.49Å
380	Y	86.9	Confident	81.3	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	39%	0.386	C	S	.	.	S	Bend	trans	-73	-30.5	168.5	-171.6	-117.4	0	0	0	112.2	S382 S389 V391 I405 G407 T409 K411 K413 G690	Y380-S382 PolarHBondContact O-N 3.44Å; Y380-S389 WeakPolarHBondContact CD1-O 3.4Å; Y380-V391 HydrophobicContact CD1-CG2 3.75Å; Y380-V391 HydrophobicContact CD2-CG2 4Å; Y380-V391 HydrophobicContact CE1-CG2 4.38Å; Y380-V391 HydrophobicContact CG-CG2 3.53Å; Y380-I405 HydrophobicContact CD2-CB 4.29Å; Y380-I405 HydrophobicContact CD2-CG2 3.48Å; Y380-I405 VanDerWaalsContact CD2-CG2 3.48Å; Y380-I405 HydrophobicContact CE2-CB 4.27Å; Y380-I405 HydrophobicContact CE2-CG2 3.63Å; Y380-I405 HydrophobicContact CG-CG2 4.37Å; Y380-G407 PolarHBondContact OH-N 2.72Å; Y380-T409 HydrophobicContact CD1-CG2 4.07Å; Y380-T409 HydrophobicContact CE1-CG2 3.68Å; Y380-T409 WeakPolarHBondContact CE1-OG1 3.21Å; Y380-T409 PolarHBondContact OH-OG1 2.72Å; Y380-K411 PolarHBondContact OH-O 2.84Å; Y380-K413 HydrophobicContact CD2-CD 4.28Å; Y380-K413 HydrophobicContact CE2-CD 4.33Å; Y380-K413 PolarHBondContact O-NZ 3.26Å; Y380-G690 VanDerWaalsContact CB-O 3.32Å; Y380-G690 WeakPolarHBondContact CB-O 3.37Å; Y380-G690 PolarHBondContact N-O 2.76Å
381	A	80.5	Confident	81.8	Confident	34 Å²	34	65 Å²	65	28%	0.281	37%	0.372	S	S	.	.			trans	-76.6	116.6	177.3	0	0	0	0	0	110.9	S379	S379-A381 VanDerWaalsContact C-N 3.35Å; S379-A381 PolarHBondContact OG-N 2.82Å; S379-A381 VanDerWaalsContact OG-N 3.14Å; S379-A381 PolarHBondContact OG-O 3.49Å
382	S	63.2	Low	82.3	Confident	62 Å²	62	62.6 Å²	62.6	43%	0.434	36%	0.358	S	S	.	.			trans	-89.5	-20.6	169.5	35.4	0	0	0	0	113.2	Y380 K413	Y380-S382 PolarHBondContact O-N 3.44Å; S382-K413 PolarHBondContact OG-NZ 3.47Å
383	D	60.5	Low	82.5	Confident	74 Å²	74	61.6 Å²	61.6	40%	0.396	35%	0.352	S	S	.	.			trans	-132	118.1	-163.1	-52.2	-88	0	0	0	110.3	Y385 N386	D383-Y385 PolarHBondContact O-N 3.22Å; D383-N386 PolarHBondContact O-N 3.19Å
384	L	56.6	Low	82.8	Confident	178 Å²	178	54.7 Å²	54.7	93%	0.932	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-12.1	-178	-68.4	93.6	0	0	0	113.9
385	Y	58.9	Low	83	Confident	225 Å²	225	53 Å²	53	88%	0.882	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-9.1	-179	-63.8	-78.2	0	0	0	114.1	D383 G387	D383-Y385 PolarHBondContact O-N 3.22Å; Y385-G387 PolarHBondContact O-N 3.3Å
386	N	58.4	Low	83.3	Confident	75 Å²	75	51.1 Å²	51.1	40%	0.401	30%	0.303	S	S	.	.			trans	-80.2	99.7	176.5	-90.7	-13.4	0	0	0	110.8	D383 S388	D383-N386 PolarHBondContact O-N 3.19Å; N386-S388 PolarHBondContact O-N 2.97Å
387	G	67.4	Low	83.5	Confident	90 Å²	90	50.9 Å²	50.9	93%	0.928	30%	0.3	S	S	*	.	S	Bend	trans	-64.3	8.7	179.9	0	0	0	0	0	116.8	Y385	Y385-G387 PolarHBondContact O-N 3.3Å
388	S	85.8	Confident	83.5	Confident	50 Å²	50	53.7 Å²	53.7	35%	0.35	30%	0.304	S	S	.	.			trans	-159.5	133.6	166.8	-168.5	0	0	0	0	111	N386 V408	N386-S388 PolarHBondContact O-N 2.97Å; S388-V408 WeakPolarHBondContact O-CG2 3.34Å
389	S	91	Very high	83.6	Confident	19 Å²	19	55.7 Å²	55.7	13%	0.133	31%	0.314	C	S	.	.			trans	-128.5	19.4	-171.8	42	0	0	0	0	112.7	Y380 V391 Q689 G690	Y380-S389 WeakPolarHBondContact CD1-O 3.4Å; S389-V391 PolarHBondContact O-N 3.33Å; S389-Q689 WeakPolarHBondContact CB-O 3.49Å; S389-Q689 PolarHBondContact OG-O 2.72Å; S389-G690 WeakPolarHBondContact O-CA 3.16Å; S389-G690 PolarHBondContact O-N 2.92Å
390	I	93.6	Very high	83.8	Confident	43 Å²	43	52.6 Å²	52.6	22%	0.221	29%	0.293	C	S	.	.			trans	-56.3	119.8	179.7	-55.2	165.1	0	0	0	110.7	G407 V408 F666 S688	I390-G407 WeakPolarHBondContact O-CA 3.36Å; I390-V408 HydrophobicContact CB-CG1 4.07Å; I390-V408 HydrophobicContact CB-CG2 3.96Å; I390-V408 PolarHBondContact O-N 3.05Å; I390-F666 HydrophobicContact CD1-CZ 4.31Å; I390-F666 HydrophobicContact CG2-CZ 4.29Å; I390-S688 WeakPolarHBondContact CG1-O 3.35Å
391	V	96.1	Very high	84.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	123.2	166.4	175.7	0	0	0	0	108.3	Y380 S389 I394 I405 S668 A669 A686 I692	Y380-V391 HydrophobicContact CD1-CG2 3.75Å; Y380-V391 HydrophobicContact CD2-CG2 4Å; Y380-V391 HydrophobicContact CE1-CG2 4.38Å; Y380-V391 HydrophobicContact CG-CG2 3.53Å; S389-V391 PolarHBondContact O-N 3.33Å; V391-I394 HydrophobicContact CG1-CD1 4.24Å; V391-I394 HydrophobicContact CG1-CG1 3.78Å; V391-I405 HydrophobicContact CB-CG2 4.33Å; V391-I405 HydrophobicContact CG1-CG2 3.54Å; V391-I405 HydrophobicContact CG2-CG2 3.79Å; V391-S668 VanDerWaalsContact O-CB 3.26Å; V391-S668 WeakPolarHBondContact O-CB 3.3Å; V391-S668 PolarHBondContact O-OG 3.3Å; V391-A669 HydrophobicContact CB-CB 4.49Å; V391-A669 HydrophobicContact CG1-CB 3.74Å; V391-A686 HydrophobicContact CB-CB 3.84Å; V391-A686 HydrophobicContact CG1-CB 4.02Å; V391-A686 HydrophobicContact CG2-CB 3.93Å; V391-I692 HydrophobicContact CG2-CG1 4.36Å
392	S	96.8	Very high	84.9	Confident	19 Å²	19	56.3 Å²	56.3	13%	0.133	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-29.1	178.7	56.7	0	0	0	0	112.6	A406 G407 I440 S441	S392-A406 PolarHBondContact N-O 3.37Å; S392-A406 PolarHBondContact OG-O 3.07Å; S392-G407 WeakPolarHBondContact OG-CA 3.42Å; S392-I440 WeakPolarHBondContact CB-O 3.26Å; S392-I440 PolarHBondContact OG-O 2.8Å; S392-S441 WeakPolarHBondContact CB-O 3.44Å; S392-S441 PolarHBondContact OG-O 3.35Å
393	S	97.6	Very high	86.5	Confident	9 Å²	9	53.4 Å²	53.4	6%	0.063	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	141.3	-173.7	-174.5	0	0	0	0	112.1	A406 I443	S393-A406 PolarHBondContact N-O 2.97Å; S393-A406 PolarHBondContact O-N 2.91Å; S393-I443 VanDerWaalsContact OG-CG1 3.25Å; S393-I443 WeakPolarHBondContact OG-CG1 3.46Å; S393-I443 PolarHBondContact OG-N 3.37Å; S393-I443 VanDerWaalsContact OG-N 3.15Å
394	I	98.1	Very high	88.3	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	130.6	172.9	-54.8	168.1	0	0	0	104.8	V391 A404 I405 A669 C671 I684 A686	V391-I394 HydrophobicContact CG1-CD1 4.24Å; V391-I394 HydrophobicContact CG1-CG1 3.78Å; I394-A404 WeakPolarHBondContact CA-O 3.22Å; I394-I405 HydrophobicContact CG1-CG1 4.24Å; I394-I405 HydrophobicContact CG1-CG2 4.38Å; I394-I405 HydrophobicContact CG2-CG1 4.34Å; I394-A669 HydrophobicContact CD1-CB 3.98Å; I394-A669 HydrophobicContact CG1-CB 3.92Å; I394-C671 HydrophobicContact CB-CB 4.12Å; I394-C671 HydrophobicContact CG2-CB 4.02Å; I394-C671 WeakPolarHBondContact O-CB 3.4Å; I394-I684 HydrophobicContact CD1-CG2 3.99Å; I394-I684 HydrophobicContact CG2-CB 4.39Å; I394-I684 HydrophobicContact CG2-CG2 4.39Å; I394-A686 HydrophobicContact CD1-CB 3.82Å
395	E	97.6	Very high	90.2	Very high	28 Å²	28	41.4 Å²	41.4	13%	0.131	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.2	166.5	-62.7	-71.5	-162.8	0	0	108.9	A404 I443 W445 K529 K573 C671	E395-A404 PolarHBondContact N-O 3.42Å; E395-A404 PolarHBondContact O-N 2.82Å; E395-I443 WeakPolarHBondContact CG-O 3.41Å; E395-W445 PolarHBondContact O-NE1 3.46Å; E395-W445 VanDerWaalsContact O-NE1 3.15Å; E395-K529 IonicContact OE1-NZ 3.3Å; E395-K573 IonicContact OE1-NZ 2.93Å; E395-K573 PolarHBondContact OE1-NZ 3.42Å; E395-K573 IonicContact OE2-NZ 3.44Å; E395-C671 PolarHBondContact OE2-SG 2.69Å
396	F	96.6	Very high	92	Very high	18 Å²	18	30.7 Å²	30.7	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	154	172.3	-82.1	-88.5	0	0	0	111.7	C400 Y402 F403 Y417 R673 I684	F396-C400 HydrophobicContact CD1-CB 4.15Å; F396-Y402 WeakPolarHBondContact CA-O 3.48Å; F396-Y402 WeakPolarHBondContact CD1-O 3.45Å; F396-F403 HydrophobicContact CD1-CB 3.88Å; F396-F403 HydrophobicContact CE1-CB 3.98Å; F396-F403 HydrophobicContact CE1-CD1 4.02Å; F396-F403 HydrophobicContact CE1-CG 4.41Å; F396-F403 HydrophobicContact CG-CB 4.21Å; F396-F403 HydrophobicContact CZ-CB 4.39Å; F396-F403 HydrophobicContact CZ-CD1 4.42Å; F396-Y417 AromaticContact CE1-CD2 3.91Å; F396-Y417 HydrophobicContact CE1-CD2 3.91Å; F396-Y417 HydrophobicContact CE1-CG 4.26Å; F396-Y417 HydrophobicContact CZ-CD2 4.1Å; F396-Y417 HydrophobicContact CZ-CE2 4.5Å; F396-R673 HydrophobicContact CD1-CG 4.11Å; F396-R673 HydrophobicContact CD2-CB 4.16Å; F396-R673 HydrophobicContact CD2-CG 4.4Å; F396-R673 HydrophobicContact CE1-CB 4.14Å; F396-R673 HydrophobicContact CE1-CG 3.66Å; F396-R673 HydrophobicContact CE2-CB 3.56Å; F396-R673 HydrophobicContact CE2-CG 4Å; F396-R673 HydrophobicContact CG-CG 4.46Å; F396-R673 HydrophobicContact CZ-CB 3.54Å; F396-R673 HydrophobicContact CZ-CG 3.6Å; F396-I684 HydrophobicContact CE1-CD1 4.27Å; F396-I684 HydrophobicContact CE2-CD1 3.84Å; F396-I684 HydrophobicContact CE2-CG1 3.93Å; F396-I684 HydrophobicContact CZ-CD1 3.44Å; F396-I684 VanDerWaalsContact CZ-CD1 3.44Å; F396-I684 HydrophobicContact CZ-CG1 3.83Å
397	D	95.8	Very high	93.8	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.027	16%	0.16	C	C	.	.			trans	-67.3	170	165.2	94	-76.4	0	0	0	111.4	D399 C400 D401 Y402 W445 K450	D397-D399 PolarHBondContact O-N 2.97Å; D397-D399 PolarHBondContact OD2-N 3.24Å; D397-C400 PolarHBondContact O-N 2.96Å; D397-C400 VanDerWaalsContact O-N 3.11Å; D397-C400 PolarHBondContact OD1-N 3.06Å; D397-C400 VanDerWaalsContact OD1-N 3.15Å; D397-D401 PolarHBondContact OD1-N 2.76Å; D397-Y402 PolarHBondContact N-O 2.66Å; D397-Y402 PolarHBondContact OD1-N 2.78Å; D397-W445 HydrophobicContact CB-CD2 4.05Å; D397-W445 HydrophobicContact CB-CE3 4.3Å; D397-W445 HydrophobicContact CB-CG 4.4Å; D397-W445 HydrophobicContact CB-CZ2 4.44Å; D397-K450 WeakPolarHBondContact OD2-CE 3.19Å; D397-K450 WeakPolarHBondContact OD2-CG 3.47Å
398	R	91.7	Very high	95.1	Very high	119 Å²	119	23.7 Å²	23.7	45%	0.449	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-38.9	-178.9	-170.9	-162.1	71.5	-178	2.5	113.5	S447 Y448	R398-S447 WeakPolarHBondContact CD-O 3.19Å; R398-S447 WeakPolarHBondContact CG-O 3.46Å; R398-Y448 PolarHBondContact NH1-O 2.67Å
399	D	92.4	Very high	95.4	Very high	48 Å²	48	22.2 Å²	22.2	26%	0.257	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-4.8	-173.8	-61	-18.5	0	0	0	112.6	D397 D401 K450	D397-D399 PolarHBondContact O-N 2.97Å; D397-D399 PolarHBondContact OD2-N 3.24Å; D399-D401 PolarHBondContact O-N 3.08Å; D399-K450 WeakPolarHBondContact OD2-CD 3.24Å; D399-K450 VanDerWaalsContact OD2-CE 3.31Å; D399-K450 WeakPolarHBondContact OD2-CE 3.48Å; D399-K450 IonicContact OD2-NZ 2.72Å; D399-K450 PolarHBondContact OD2-NZ 3.25Å
400	C	94	Very high	95.6	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.034	12%	0.122	C	C	.	.	S	Bend	trans	58.4	29	-173	-73.2	0	0	0	0	114.2	F396 D397 R673 L675	F396-C400 HydrophobicContact CD1-CB 4.15Å; D397-C400 PolarHBondContact O-N 2.96Å; D397-C400 VanDerWaalsContact O-N 3.11Å; D397-C400 PolarHBondContact OD1-N 3.06Å; D397-C400 VanDerWaalsContact OD1-N 3.15Å; C400-R673 HydrophobicContact CB-CG 3.72Å; C400-R673 VanDerWaalsContact O-CZ 3.31Å; C400-R673 PolarHBondContact O-NE 3.49Å; C400-R673 PolarHBondContact O-NH2 2.79Å; C400-L675 HydrophobicContact CB-CD2 4.06Å
401	D	93.8	Very high	95.6	Very high	69 Å²	69	25.5 Å²	25.5	37%	0.369	12%	0.12	S	C	.	.	S	Bend	trans	-86.7	-34.5	171.9	-68.6	-32.6	0	0	0	111.2	D397 D399 Y417 K450	D397-D401 PolarHBondContact OD1-N 2.76Å; D399-D401 PolarHBondContact O-N 3.08Å; D401-Y417 VanDerWaalsContact O-CB 3.3Å; D401-Y417 WeakPolarHBondContact O-CB 3.44Å; D401-Y417 PolarHBondContact O-N 2.92Å; D401-K450 IonicContact OD2-NZ 2.67Å; D401-K450 PolarHBondContact OD2-NZ 3.42Å
402	Y	96.4	Very high	95.7	Very high	44 Å²	44	25.5 Å²	25.5	17%	0.173	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	151.1	-178.2	-62.5	-83.7	0	0	0	110.9	F396 D397 V414 F415 E416 V431 F468	F396-Y402 WeakPolarHBondContact CA-O 3.48Å; F396-Y402 WeakPolarHBondContact CD1-O 3.45Å; D397-Y402 PolarHBondContact N-O 2.66Å; D397-Y402 PolarHBondContact OD1-N 2.78Å; Y402-V414 HydrophobicContact CD1-CG1 4.31Å; Y402-F415 VanDerWaalsContact CA-O 3.26Å; Y402-F415 WeakPolarHBondContact CA-O 3.22Å; Y402-E416 HydrophobicContact CD1-CB 3.93Å; Y402-E416 HydrophobicContact CD1-CG 4.17Å; Y402-E416 HydrophobicContact CE1-CB 3.59Å; Y402-E416 HydrophobicContact CE1-CG 3.61Å; Y402-E416 VanDerWaalsContact CE1-OE2 3.22Å; Y402-E416 WeakPolarHBondContact CE1-OE2 3.39Å; Y402-E416 VanDerWaalsContact CZ-OE2 3.29Å; Y402-E416 PolarHBondContact OH-OE2 2.65Å; Y402-V431 HydrophobicContact CE1-CG2 4.29Å; Y402-F468 AromaticContact CD1-CE1 3.97Å; Y402-F468 HydrophobicContact CD1-CE1 3.97Å; Y402-F468 AromaticContact CD2-CE1 3.78Å; Y402-F468 HydrophobicContact CD2-CE1 3.78Å; Y402-F468 AromaticContact CD2-CZ 3.67Å; Y402-F468 HydrophobicContact CD2-CZ 3.67Å; Y402-F468 HydrophobicContact CE1-CE1 4.11Å; Y402-F468 AromaticContact CE2-CE1 3.91Å; Y402-F468 HydrophobicContact CE2-CE1 3.91Å; Y402-F468 HydrophobicContact CE2-CZ 4.01Å; Y402-F468 AromaticContact CG-CE1 3.84Å; Y402-F468 HydrophobicContact CG-CE1 3.84Å; Y402-F468 HydrophobicContact CG-CZ 4.03Å
403	F	97.3	Very high	95.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141	166.9	59.7	-90	0	0	0	110.6	L378 F396 I405 F415 Y417 V420 I684	L378-F403 HydrophobicContact CD2-CE2 4.45Å; L378-F403 HydrophobicContact CD2-CZ 4.11Å; F396-F403 HydrophobicContact CD1-CB 3.88Å; F396-F403 HydrophobicContact CE1-CB 3.98Å; F396-F403 HydrophobicContact CE1-CD1 4.02Å; F396-F403 HydrophobicContact CE1-CG 4.41Å; F396-F403 HydrophobicContact CG-CB 4.21Å; F396-F403 HydrophobicContact CZ-CB 4.39Å; F396-F403 HydrophobicContact CZ-CD1 4.42Å; F403-I405 HydrophobicContact CD2-CD1 3.89Å; F403-I405 HydrophobicContact CD2-CG1 3.83Å; F403-I405 HydrophobicContact CE2-CD1 3.66Å; F403-I405 HydrophobicContact CE2-CG1 4.09Å; F403-F415 HydrophobicContact CD1-CB 4.45Å; F403-F415 HydrophobicContact CD2-CB 4.21Å; F403-F415 HydrophobicContact CD2-CD2 4.29Å; F403-F415 HydrophobicContact CE1-CB 3.95Å; F403-F415 HydrophobicContact CE2-CB 3.66Å; F403-F415 AromaticContact CE2-CD2 3.71Å; F403-F415 HydrophobicContact CE2-CD2 3.71Å; F403-F415 AromaticContact CE2-CG 3.95Å; F403-F415 HydrophobicContact CE2-CG 3.95Å; F403-F415 HydrophobicContact CZ-CB 3.53Å; F403-F415 HydrophobicContact CZ-CD2 4.33Å; F403-F415 HydrophobicContact CZ-CG 4.1Å; F403-F415 PolarHBondContact N-O 3.38Å; F403-F415 PolarHBondContact O-N 3.28Å; F403-Y417 HydrophobicContact CD1-CD2 4.48Å; F403-Y417 HydrophobicContact CE1-CD2 4.41Å; F403-V420 HydrophobicContact CE1-CB 4.38Å; F403-V420 HydrophobicContact CE1-CG1 4.38Å; F403-V420 HydrophobicContact CE1-CG2 4.3Å; F403-V420 HydrophobicContact CZ-CB 4.43Å; F403-V420 HydrophobicContact CZ-CG1 4.16Å; F403-V420 HydrophobicContact CZ-CG2 4.08Å; F403-I684 HydrophobicContact CB-CD1 4.23Å; F403-I684 HydrophobicContact CD1-CD1 3.59Å; F403-I684 HydrophobicContact CD2-CD1 3.83Å; F403-I684 HydrophobicContact CE1-CD1 3.78Å; F403-I684 HydrophobicContact CE2-CD1 4.02Å; F403-I684 HydrophobicContact CG-CD1 3.61Å; F403-I684 HydrophobicContact CZ-CD1 3.98Å
404	A	98.1	Very high	95.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	144.9	173.3	0	0	0	0	0	109.8	I394 E395 I412 K413 V414 I443 W445 L453	I394-A404 WeakPolarHBondContact CA-O 3.22Å; E395-A404 PolarHBondContact N-O 3.42Å; E395-A404 PolarHBondContact O-N 2.82Å; A404-I412 HydrophobicContact CB-CG2 4.29Å; A404-K413 CarbonylContact C-O 3.54Å; A404-K413 WeakPolarHBondContact CA-O 3.33Å; A404-V414 HydrophobicContact CB-CG2 4.28Å; A404-I443 HydrophobicContact CB-CD1 3.55Å; A404-I443 VanDerWaalsContact O-CD1 3.31Å; A404-I443 WeakPolarHBondContact O-CD1 3.47Å; A404-W445 HydrophobicContact CB-CZ2 3.82Å; A404-L453 HydrophobicContact CB-CD2 3.97Å
405	I	97.6	Very high	95.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.8	176.3	-56.3	-168.3	0	0	0	108.9	Y380 V391 I394 F403 I412 K413 F415 I692	Y380-I405 HydrophobicContact CD2-CB 4.29Å; Y380-I405 HydrophobicContact CD2-CG2 3.48Å; Y380-I405 VanDerWaalsContact CD2-CG2 3.48Å; Y380-I405 HydrophobicContact CE2-CB 4.27Å; Y380-I405 HydrophobicContact CE2-CG2 3.63Å; Y380-I405 HydrophobicContact CG-CG2 4.37Å; V391-I405 HydrophobicContact CB-CG2 4.33Å; V391-I405 HydrophobicContact CG1-CG2 3.54Å; V391-I405 HydrophobicContact CG2-CG2 3.79Å; I394-I405 HydrophobicContact CG1-CG1 4.24Å; I394-I405 HydrophobicContact CG1-CG2 4.38Å; I394-I405 HydrophobicContact CG2-CG1 4.34Å; F403-I405 HydrophobicContact CD2-CD1 3.89Å; F403-I405 HydrophobicContact CD2-CG1 3.83Å; F403-I405 HydrophobicContact CE2-CD1 3.66Å; F403-I405 HydrophobicContact CE2-CG1 4.09Å; I405-I412 WeakPolarHBondContact O-CA 3.5Å; I405-K413 PolarHBondContact N-O 2.66Å; I405-K413 PolarHBondContact O-N 2.74Å; I405-F415 HydrophobicContact CD1-CD2 4.36Å; I405-F415 HydrophobicContact CD1-CE2 4.26Å; I405-F415 HydrophobicContact CG1-CD2 4.45Å; I405-F415 HydrophobicContact CG1-CE2 4.49Å; I405-I692 HydrophobicContact CD1-CD1 3.48Å; I405-I692 VanDerWaalsContact CD1-CD1 3.48Å; I405-I692 HydrophobicContact CD1-CG1 3.92Å; I405-I692 HydrophobicContact CD1-CG2 3.92Å; I405-I692 HydrophobicContact CG2-CD1 4.44Å
406	A	97.3	Very high	95.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.6	180	0	0	0	0	0	112.2	S392 S393 I412 I440 I443	S392-A406 PolarHBondContact N-O 3.37Å; S392-A406 PolarHBondContact OG-O 3.07Å; S393-A406 PolarHBondContact N-O 2.97Å; S393-A406 PolarHBondContact O-N 2.91Å; A406-I412 HydrophobicContact CB-CG1 4.15Å; A406-I440 HydrophobicContact CB-CB 4.04Å; A406-I440 HydrophobicContact CB-CD1 4.28Å; A406-I440 HydrophobicContact CB-CG2 3.62Å; A406-I443 HydrophobicContact CB-CD1 4.31Å; A406-I443 HydrophobicContact CB-CG1 4.27Å; A406-I443 HydrophobicContact CB-CG2 3.75Å
407	G	95.3	Very high	95.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.8	-164.6	-171.2	0	0	0	0	0	115.7	Y380 I390 S392 T409 K410 I440	Y380-G407 PolarHBondContact OH-N 2.72Å; I390-G407 WeakPolarHBondContact O-CA 3.36Å; S392-G407 WeakPolarHBondContact OG-CA 3.42Å; G407-T409 PolarHBondContact O-N 3.4Å; G407-K410 PolarHBondContact O-N 3.4Å; G407-I440 PolarHBondContact O-N 2.84Å
408	V	94.4	Very high	95.2	Very high	18 Å²	18	27.3 Å²	27.3	11%	0.109	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-9.4	-172.2	-58	0	0	0	0	114.9	S388 I390 K410 K439	S388-V408 WeakPolarHBondContact O-CG2 3.34Å; I390-V408 HydrophobicContact CB-CG1 4.07Å; I390-V408 HydrophobicContact CB-CG2 3.96Å; I390-V408 PolarHBondContact O-N 3.05Å; V408-K410 PolarHBondContact O-N 3.39Å; V408-K439 HydrophobicContact CB-CD 3.99Å; V408-K439 HydrophobicContact CB-CG 4.4Å; V408-K439 HydrophobicContact CG1-CD 4.21Å
409	T	92.9	Very high	95.2	Very high	20 Å²	20	24.6 Å²	24.6	12%	0.123	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-1	175.1	59.1	0	0	0	0	113.8	Y380 G407 K411	Y380-T409 HydrophobicContact CD1-CG2 4.07Å; Y380-T409 HydrophobicContact CE1-CG2 3.68Å; Y380-T409 WeakPolarHBondContact CE1-OG1 3.21Å; Y380-T409 PolarHBondContact OH-OG1 2.72Å; G407-T409 PolarHBondContact O-N 3.4Å; T409-K411 PolarHBondContact O-N 3.35Å
410	K	94.7	Very high	95.2	Very high	90 Å²	90	22.5 Å²	22.5	39%	0.391	12%	0.117	S	C	.	.	S	Bend	trans	64.4	14.3	-176.9	-43.2	-173.7	171.8	-169.1	0	115.5	G407 V408 C436 N437 S438	G407-K410 PolarHBondContact O-N 3.4Å; V408-K410 PolarHBondContact O-N 3.39Å; K410-C436 WeakPolarHBondContact O-CB 3.33Å; K410-C436 PolarHBondContact O-N 3.03Å; K410-N437 WeakPolarHBondContact CD-O 3.45Å; K410-N437 WeakPolarHBondContact CE-O 3.35Å; K410-N437 PolarHBondContact NZ-O 2.9Å; K410-S438 WeakPolarHBondContact CB-O 3.49Å; K410-S438 WeakPolarHBondContact CG-O 3.12Å
411	K	94.4	Very high	95	Very high	40 Å²	40	25.5 Å²	25.5	17%	0.174	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	153.8	177.5	-67.9	172.5	164.1	-152.8	0	110.8	Y380 T409 E433 M434 I440	Y380-K411 PolarHBondContact OH-O 2.84Å; T409-K411 PolarHBondContact O-N 3.35Å; K411-E433 HydrophobicContact CB-CG 4.32Å; K411-E433 HydrophobicContact CD-CG 4.3Å; K411-E433 WeakPolarHBondContact CD-OE1 3.38Å; K411-E433 WeakPolarHBondContact CD-OE2 3.46Å; K411-E433 WeakPolarHBondContact CE-OE1 3.4Å; K411-E433 HydrophobicContact CG-CG 4.37Å; K411-E433 VanDerWaalsContact NZ-CD 3.35Å; K411-E433 IonicContact NZ-OE1 2.61Å; K411-E433 PolarHBondContact NZ-OE1 3.29Å; K411-E433 IonicContact NZ-OE2 3.34Å; K411-E433 PolarHBondContact NZ-OE2 3.18Å; K411-M434 CarbonylContact C-O 3.47Å; K411-M434 WeakPolarHBondContact CA-O 3.47Å; K411-I440 WeakPolarHBondContact O-CD1 3.35Å
412	I	97.2	Very high	94.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.1	163.9	-53.2	172.2	0	0	0	106.2	A404 I405 A406 E433 M434 I440 I443 L453	A404-I412 HydrophobicContact CB-CG2 4.29Å; I405-I412 WeakPolarHBondContact O-CA 3.5Å; A406-I412 HydrophobicContact CB-CG1 4.15Å; I412-E433 WeakPolarHBondContact O-CA 3.35Å; I412-M434 HydrophobicContact CB-CB 4.29Å; I412-M434 HydrophobicContact CB-CE 4.21Å; I412-M434 HydrophobicContact CG2-CE 3.97Å; I412-M434 PolarHBondContact N-O 2.95Å; I412-M434 PolarHBondContact O-N 3.38Å; I412-I440 HydrophobicContact CD1-CD1 4.5Å; I412-I440 HydrophobicContact CG1-CD1 3.7Å; I412-I440 HydrophobicContact CG1-CG1 4.4Å; I412-I443 HydrophobicContact CD1-CG2 4.27Å; I412-L453 HydrophobicContact CG2-CD2 3.93Å
413	K	96.3	Very high	93.4	Very high	10 Å²	10	31.3 Å²	31.3	4%	0.043	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.9	-179.6	-71.8	178.3	171.4	176.7	0	109.3	Y380 S382 A404 I405 F415 P430 E433	Y380-K413 HydrophobicContact CD2-CD 4.28Å; Y380-K413 HydrophobicContact CE2-CD 4.33Å; Y380-K413 PolarHBondContact O-NZ 3.26Å; S382-K413 PolarHBondContact OG-NZ 3.47Å; A404-K413 CarbonylContact C-O 3.54Å; A404-K413 WeakPolarHBondContact CA-O 3.33Å; I405-K413 PolarHBondContact N-O 2.66Å; I405-K413 PolarHBondContact O-N 2.74Å; K413-F415 HydrophobicContact CB-CD2 4.32Å; K413-F415 HydrophobicContact CB-CE2 3.58Å; K413-F415 HydrophobicContact CB-CZ 4.1Å; K413-F415 HydrophobicContact CD-CE2 4.39Å; K413-F415 HydrophobicContact CD-CZ 4.21Å; K413-P430 HydrophobicContact CB-CB 4.04Å; K413-P430 HydrophobicContact CD-CG 4.48Å; K413-P430 HydrophobicContact CG-CB 4.35Å; K413-P430 HydrophobicContact CG-CG 4.29Å; K413-E433 WeakPolarHBondContact CE-OE2 3.49Å; K413-E433 HydrophobicContact CG-CG 4.14Å; K413-E433 IonicContact NZ-OE2 3.52Å
414	V	97.4	Very high	91.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.1	176.1	-177.1	0	0	0	0	109	Y402 A404 P430 V431 N432 M434 W445	Y402-V414 HydrophobicContact CD1-CG1 4.31Å; A404-V414 HydrophobicContact CB-CG2 4.28Å; V414-P430 CarbonylContact O-C 3.54Å; V414-P430 VanDerWaalsContact O-CA 3.28Å; V414-P430 WeakPolarHBondContact O-CA 3.41Å; V414-P430 WeakPolarHBondContact O-CB 3.31Å; V414-V431 PolarHBondContact O-N 3.21Å; V414-N432 HydrophobicContact CB-CB 4.48Å; V414-N432 PolarHBondContact N-O 3.08Å; V414-M434 HydrophobicContact CG2-CE 3.75Å; V414-W445 HydrophobicContact CG1-CH2 4.36Å; V414-W445 HydrophobicContact CG1-CZ2 4.21Å; V414-W445 HydrophobicContact CG2-CH2 4.48Å; V414-W445 HydrophobicContact CG2-CZ2 4.33Å
415	F	96.1	Very high	90.1	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.013	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147	-179.8	-64.6	-90	0	0	0	110.7	L378 Y402 F403 I405 K413 V420 H428 P430	L378-F415 HydrophobicContact CD2-CD1 4.02Å; L378-F415 HydrophobicContact CD2-CE1 4.04Å; L378-F415 HydrophobicContact CD2-CG 4.32Å; L378-F415 HydrophobicContact CD2-CZ 4.36Å; Y402-F415 VanDerWaalsContact CA-O 3.26Å; Y402-F415 WeakPolarHBondContact CA-O 3.22Å; F403-F415 HydrophobicContact CD1-CB 4.45Å; F403-F415 HydrophobicContact CD2-CB 4.21Å; F403-F415 HydrophobicContact CD2-CD2 4.29Å; F403-F415 HydrophobicContact CE1-CB 3.95Å; F403-F415 HydrophobicContact CE2-CB 3.66Å; F403-F415 AromaticContact CE2-CD2 3.71Å; F403-F415 HydrophobicContact CE2-CD2 3.71Å; F403-F415 AromaticContact CE2-CG 3.95Å; F403-F415 HydrophobicContact CE2-CG 3.95Å; F403-F415 HydrophobicContact CZ-CB 3.53Å; F403-F415 HydrophobicContact CZ-CD2 4.33Å; F403-F415 HydrophobicContact CZ-CG 4.1Å; F403-F415 PolarHBondContact N-O 3.38Å; F403-F415 PolarHBondContact O-N 3.28Å; I405-F415 HydrophobicContact CD1-CD2 4.36Å; I405-F415 HydrophobicContact CD1-CE2 4.26Å; I405-F415 HydrophobicContact CG1-CD2 4.45Å; I405-F415 HydrophobicContact CG1-CE2 4.49Å; K413-F415 HydrophobicContact CB-CD2 4.32Å; K413-F415 HydrophobicContact CB-CE2 3.58Å; K413-F415 HydrophobicContact CB-CZ 4.1Å; K413-F415 HydrophobicContact CD-CE2 4.39Å; K413-F415 HydrophobicContact CD-CZ 4.21Å; F415-V420 HydrophobicContact CB-CG2 4.2Å; F415-V420 HydrophobicContact CD1-CG2 4.46Å; F415-H428 HydrophobicContact CE1-CB 4.41Å; F415-P430 HydrophobicContact CD1-CB 4.17Å; F415-P430 HydrophobicContact CE1-CB 3.9Å; F415-P430 HydrophobicContact CE2-CB 4.41Å; F415-P430 HydrophobicContact CZ-CB 4.03Å
416	E	95.4	Very high	88.4	Confident	69 Å²	69	48.3 Å²	48.3	32%	0.322	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.9	170.7	-165.9	164.9	129.9	0	0	110.2	Y402 G418 V420 V431	Y402-E416 HydrophobicContact CD1-CB 3.93Å; Y402-E416 HydrophobicContact CD1-CG 4.17Å; Y402-E416 HydrophobicContact CE1-CB 3.59Å; Y402-E416 HydrophobicContact CE1-CG 3.61Å; Y402-E416 VanDerWaalsContact CE1-OE2 3.22Å; Y402-E416 WeakPolarHBondContact CE1-OE2 3.39Å; Y402-E416 VanDerWaalsContact CZ-OE2 3.29Å; Y402-E416 PolarHBondContact OH-OE2 2.65Å; E416-G418 PolarHBondContact O-N 2.82Å; E416-V420 WeakPolarHBondContact O-CB 3.34Å; E416-V420 VanDerWaalsContact O-CG2 3.27Å; E416-V420 WeakPolarHBondContact O-CG2 3.47Å; E416-V420 PolarHBondContact O-N 2.84Å; E416-V431 HydrophobicContact CB-CG2 4.09Å
417	Y	94.3	Very high	87.3	Confident	14 Å²	14	53.4 Å²	53.4	6%	0.055	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-40.1	-177.3	175.4	-97.6	0	0	0	112.2	F396 D401 F403 V420 I421 R673 V682 V694	F396-Y417 AromaticContact CE1-CD2 3.91Å; F396-Y417 HydrophobicContact CE1-CD2 3.91Å; F396-Y417 HydrophobicContact CE1-CG 4.26Å; F396-Y417 HydrophobicContact CZ-CD2 4.1Å; F396-Y417 HydrophobicContact CZ-CE2 4.5Å; D401-Y417 VanDerWaalsContact O-CB 3.3Å; D401-Y417 WeakPolarHBondContact O-CB 3.44Å; D401-Y417 PolarHBondContact O-N 2.92Å; F403-Y417 HydrophobicContact CD1-CD2 4.48Å; F403-Y417 HydrophobicContact CE1-CD2 4.41Å; Y417-V420 PolarHBondContact O-N 3.15Å; Y417-I421 HydrophobicContact CD1-CD1 4.4Å; Y417-I421 HydrophobicContact CD2-CG2 4.34Å; Y417-I421 HydrophobicContact CE1-CD1 3.69Å; Y417-I421 HydrophobicContact CE1-CG1 4.4Å; Y417-I421 HydrophobicContact CE1-CG2 4.33Å; Y417-I421 HydrophobicContact CE2-CG2 3.79Å; Y417-I421 WeakPolarHBondContact O-CG1 3.4Å; Y417-I421 PolarHBondContact O-N 2.9Å; Y417-R673 VanDerWaalsContact CD1-CZ 3.42Å; Y417-R673 VanDerWaalsContact CD1-NE 3.33Å; Y417-V682 HydrophobicContact CE2-CG1 4.22Å; Y417-V694 HydrophobicContact CE2-CG1 3.95Å
418	G	91.9	Very high	86.8	Confident	25 Å²	25	54.8 Å²	54.8	26%	0.258	30%	0.303	S	S	.	.	H	α-helix	trans	-58.8	-52.5	179.8	0	0	0	0	0	112.6	E416 V420 I421 Q422	E416-G418 PolarHBondContact O-N 2.82Å; G418-V420 PolarHBondContact O-N 3.49Å; G418-I421 WeakPolarHBondContact O-CG1 3.44Å; G418-I421 PolarHBondContact O-N 2.73Å; G418-Q422 WeakPolarHBondContact O-CG 3.33Å; G418-Q422 PolarHBondContact O-N 3.37Å
419	T	91.8	Very high	86.5	Confident	61 Å²	61	63 Å²	63	37%	0.374	33%	0.333	S	S	.	.	H	α-helix	trans	-56.7	-48.7	175.3	-46.1	0	0	0	0	111.8	I421 Q422 D423	T419-I421 VanDerWaalsContact C-N 3.26Å; T419-I421 PolarHBondContact O-N 3.17Å; T419-Q422 PolarHBondContact O-N 2.81Å; T419-Q422 VanDerWaalsContact O-N 3.12Å; T419-D423 VanDerWaalsContact CG2-OD2 3.23Å; T419-D423 WeakPolarHBondContact CG2-OD2 3.07Å; T419-D423 PolarHBondContact O-N 2.93Å
420	V	92.1	Very high	86.5	Confident	4 Å²	4	64 Å²	64	2%	0.024	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-29	-176.1	166.5	0	0	0	0	113.5	A376 L378 F403 F415 E416 Y417 G418 H428 V694	A376-V420 HydrophobicContact CB-CG1 3.83Å; A376-V420 WeakPolarHBondContact CB-O 3.49Å; L378-V420 HydrophobicContact CD1-CG1 3.99Å; L378-V420 HydrophobicContact CD2-CG1 3.95Å; L378-V420 HydrophobicContact CD2-CG2 3.91Å; L378-V420 HydrophobicContact CG-CG1 4.25Å; F403-V420 HydrophobicContact CE1-CB 4.38Å; F403-V420 HydrophobicContact CE1-CG1 4.38Å; F403-V420 HydrophobicContact CE1-CG2 4.3Å; F403-V420 HydrophobicContact CZ-CB 4.43Å; F403-V420 HydrophobicContact CZ-CG1 4.16Å; F403-V420 HydrophobicContact CZ-CG2 4.08Å; F415-V420 HydrophobicContact CB-CG2 4.2Å; F415-V420 HydrophobicContact CD1-CG2 4.46Å; E416-V420 WeakPolarHBondContact O-CB 3.34Å; E416-V420 VanDerWaalsContact O-CG2 3.27Å; E416-V420 WeakPolarHBondContact O-CG2 3.47Å; E416-V420 PolarHBondContact O-N 2.84Å; Y417-V420 PolarHBondContact O-N 3.15Å; G418-V420 PolarHBondContact O-N 3.49Å; V420-H428 HydrophobicContact CG2-CB 4.42Å; V420-H428 PolarHBondContact O-CE1 3.11Å; V420-V694 HydrophobicContact CG1-CG2 4Å
421	I	90.4	Very high	86.5	Confident	69 Å²	69	63.6 Å²	63.6	35%	0.354	35%	0.345	S	S	.	.	H	α-helix	trans	-93.9	-10.5	177.3	67.3	166.3	0	0	0	114.6	L375 Y417 G418 T419 V694	L375-I421 HydrophobicContact CD1-CG2 4.47Å; Y417-I421 HydrophobicContact CD1-CD1 4.4Å; Y417-I421 HydrophobicContact CD2-CG2 4.34Å; Y417-I421 HydrophobicContact CE1-CD1 3.69Å; Y417-I421 HydrophobicContact CE1-CG1 4.4Å; Y417-I421 HydrophobicContact CE1-CG2 4.33Å; Y417-I421 HydrophobicContact CE2-CG2 3.79Å; Y417-I421 WeakPolarHBondContact O-CG1 3.4Å; Y417-I421 PolarHBondContact O-N 2.9Å; G418-I421 WeakPolarHBondContact O-CG1 3.44Å; G418-I421 PolarHBondContact O-N 2.73Å; T419-I421 VanDerWaalsContact C-N 3.26Å; T419-I421 PolarHBondContact O-N 3.17Å; I421-V694 HydrophobicContact CG2-CG1 4.26Å
422	Q	84.8	Confident	86.5	Confident	157 Å²	157	63.3 Å²	63.3	73%	0.734	35%	0.345	S	S	*	.	H	α-helix	trans	-96.9	-39.2	179	-71.5	178.5	17.3	0	0	112.1	G418 T419 A424	G418-Q422 WeakPolarHBondContact O-CG 3.33Å; G418-Q422 PolarHBondContact O-N 3.37Å; T419-Q422 PolarHBondContact O-N 2.81Å; T419-Q422 VanDerWaalsContact O-N 3.12Å; Q422-A424 PolarHBondContact O-N 2.83Å
423	D	71.4	Confident	86.4	Confident	78 Å²	78	66.6 Å²	66.6	42%	0.417	36%	0.361	S	S	.	.			trans	-72.5	109.1	-178.5	-76.1	-21.7	0	0	0	111.4	T419 V425	T419-D423 VanDerWaalsContact CG2-OD2 3.23Å; T419-D423 WeakPolarHBondContact CG2-OD2 3.07Å; T419-D423 PolarHBondContact O-N 2.93Å; D423-V425 HydrophobicContact CB-CB 4.38Å; D423-V425 HydrophobicContact CB-CG2 4.15Å; D423-V425 PolarHBondContact O-N 2.93Å
424	A	61.3	Low	86.4	Confident	112 Å²	112	66.4 Å²	66.4	93%	0.926	36%	0.36	S	S	*	.			trans	-76.2	47.3	169.9	0	0	0	0	0	112	Q422	Q422-A424 PolarHBondContact O-N 2.83Å
425	V	64.6	Low	86.3	Confident	80 Å²	80	70.2 Å²	70.2	49%	0.485	38%	0.383	S	S	.	.			trans	-126.7	128.2	-170.1	-171.9	0	0	0	0	109.7	D423 I427	D423-V425 HydrophobicContact CB-CB 4.38Å; D423-V425 HydrophobicContact CB-CG2 4.15Å; D423-V425 PolarHBondContact O-N 2.93Å; V425-I427 PolarHBondContact O-N 2.81Å
426	D	63.4	Low	86.2	Confident	164 Å²	164	70.3 Å²	70.3	88%	0.877	38%	0.384	S	S	*	.	S	Bend	trans	-65.4	-2.2	-177.8	-60.9	-55.1	0	0	0	114.9
427	I	73.4	Confident	86.2	Confident	107 Å²	107	72 Å²	72	55%	0.549	40%	0.396	S	S	.	.			trans	-130.7	99.9	-173.9	-52.5	178.5	0	0	0	109.5	V425 Y429	V425-I427 PolarHBondContact O-N 2.81Å; I427-Y429 HydrophobicContact CG2-CD2 4.36Å; I427-Y429 HydrophobicContact CG2-CE2 3.71Å
428	H	84.1	Confident	86.2	Confident	29 Å²	29	71.9 Å²	71.9	13%	0.134	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-97.3	129.7	171.1	-55.8	-80.2	0	0	0	110.6	L378 F415 V420	L378-H428 HydrophobicContact CD2-CB 4.01Å; F415-H428 HydrophobicContact CE1-CB 4.41Å; V420-H428 HydrophobicContact CG2-CB 4.42Å; V420-H428 PolarHBondContact O-CE1 3.11Å
429	Y	88.4	Confident	86.5	Confident	191 Å²	191	74.8 Å²	74.8	75%	0.749	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-92.4	139.8	174.3	-68.2	-87.4	0	0	0	110.8	I427	I427-Y429 HydrophobicContact CG2-CD2 4.36Å; I427-Y429 HydrophobicContact CG2-CE2 3.71Å
430	P	93.1	Very high	86.8	Confident	40 Å²	40	71.9 Å²	71.9	26%	0.26	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-72.6	145.1	172.9	31.4	-34.1	0	0	0	110.8	K413 V414 F415 N432	K413-P430 HydrophobicContact CB-CB 4.04Å; K413-P430 HydrophobicContact CD-CG 4.48Å; K413-P430 HydrophobicContact CG-CB 4.35Å; K413-P430 HydrophobicContact CG-CG 4.29Å; V414-P430 CarbonylContact O-C 3.54Å; V414-P430 VanDerWaalsContact O-CA 3.28Å; V414-P430 WeakPolarHBondContact O-CA 3.41Å; V414-P430 WeakPolarHBondContact O-CB 3.31Å; F415-P430 HydrophobicContact CD1-CB 4.17Å; F415-P430 HydrophobicContact CE1-CB 3.9Å; F415-P430 HydrophobicContact CE2-CB 4.41Å; F415-P430 HydrophobicContact CZ-CB 4.03Å; P430-N432 VanDerWaalsContact C-N 3.3Å
431	V	94.2	Very high	87	Confident	83 Å²	83	72.2 Å²	72.2	50%	0.503	39%	0.387	S	S	.	.	S	Bend	trans	-67.3	-33.7	174.6	-177.5	0	0	0	0	110.8	Y402 V414 E416	Y402-V431 HydrophobicContact CE1-CG2 4.29Å; V414-V431 PolarHBondContact O-N 3.21Å; E416-V431 HydrophobicContact CB-CG2 4.09Å
432	N	95.6	Very high	87.4	Confident	33 Å²	33	69.6 Å²	69.6	18%	0.176	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	147.5	172.9	-171.1	20.4	0	0	0	111.1	V414 P430 G467 F468 G470	V414-N432 HydrophobicContact CB-CB 4.48Å; V414-N432 PolarHBondContact N-O 3.08Å; P430-N432 VanDerWaalsContact C-N 3.3Å; N432-G467 PolarHBondContact ND2-O 2.98Å; N432-F468 PolarHBondContact ND2-O 3.16Å; N432-G470 PolarHBondContact ND2-N 2.94Å
433	E	95.4	Very high	88.1	Confident	70 Å²	70	62.1 Å²	62.1	33%	0.327	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	113.3	174.1	-173.4	178.6	95.7	0	0	110.7	K411 I412 K413	K411-E433 HydrophobicContact CB-CG 4.32Å; K411-E433 HydrophobicContact CD-CG 4.3Å; K411-E433 WeakPolarHBondContact CD-OE1 3.38Å; K411-E433 WeakPolarHBondContact CD-OE2 3.46Å; K411-E433 WeakPolarHBondContact CE-OE1 3.4Å; K411-E433 HydrophobicContact CG-CG 4.37Å; K411-E433 VanDerWaalsContact NZ-CD 3.35Å; K411-E433 IonicContact NZ-OE1 2.61Å; K411-E433 PolarHBondContact NZ-OE1 3.29Å; K411-E433 IonicContact NZ-OE2 3.34Å; K411-E433 PolarHBondContact NZ-OE2 3.18Å; I412-E433 WeakPolarHBondContact O-CA 3.35Å; K413-E433 WeakPolarHBondContact CE-OE2 3.49Å; K413-E433 HydrophobicContact CG-CG 4.14Å; K413-E433 IonicContact NZ-OE2 3.52Å
434	M	95.6	Very high	89.3	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.025	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	141.9	176.2	-67	162.7	-80.2	0	0	110.3	K411 I412 V414 L453 W465	K411-M434 CarbonylContact C-O 3.47Å; K411-M434 WeakPolarHBondContact CA-O 3.47Å; I412-M434 HydrophobicContact CB-CB 4.29Å; I412-M434 HydrophobicContact CB-CE 4.21Å; I412-M434 HydrophobicContact CG2-CE 3.97Å; I412-M434 PolarHBondContact N-O 2.95Å; I412-M434 PolarHBondContact O-N 3.38Å; V414-M434 HydrophobicContact CG2-CE 3.75Å; M434-L453 HydrophobicContact CE-CD2 4.06Å; M434-W465 HydrophobicContact CB-CE3 4.06Å; M434-W465 HydrophobicContact CB-CH2 4.18Å; M434-W465 HydrophobicContact CB-CZ3 3.85Å; M434-W465 HydrophobicContact CG-CE3 3.91Å; M434-W465 HydrophobicContact CG-CZ3 4.08Å; M434-W465 HydrophobicContact SD-CB 3.82Å; M434-W465 HydrophobicContact SD-CD2 3.85Å; M434-W465 HydrophobicContact SD-CE3 3.66Å; M434-W465 HydrophobicContact SD-CG 3.96Å; M434-W465 HydrophobicContact SD-CZ3 4.4Å
435	T	95.3	Very high	91.1	Very high	80 Å²	80	54.2 Å²	54.2	49%	0.491	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.2	-179.9	-62.9	0	0	0	0	112	W465 R472	T435-W465 WeakPolarHBondContact O-CH2 3.39Å; T435-R472 PolarHBondContact O-NH2 2.97Å
436	C	94.6	Very high	92.6	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.034	26%	0.259	C	S	.	.			trans	-102.2	158.7	178.1	-61.7	0	0	0	0	111.7	K410 I440 W465	K410-C436 WeakPolarHBondContact O-CB 3.33Å; K410-C436 PolarHBondContact O-N 3.03Å; C436-I440 HydrophobicContact CB-CD1 4.11Å; C436-I440 HydrophobicContact CB-CG1 4.07Å; C436-W465 VanDerWaalsContact SG-CZ2 3.56Å
437	N	93.7	Very high	94	Very high	104 Å²	104	44.6 Å²	44.6	56%	0.556	23%	0.23	S	C	*	.	S	Bend	trans	-74.1	-33.7	176.5	-64.8	9.4	0	0	0	111.6	K410	K410-N437 WeakPolarHBondContact CD-O 3.45Å; K410-N437 WeakPolarHBondContact CE-O 3.35Å; K410-N437 PolarHBondContact NZ-O 2.9Å
438	S	96.2	Very high	95	Very high	12 Å²	12	46.2 Å²	46.2	8%	0.084	23%	0.231	C	C	.	.	S	Bend	trans	-118.5	177.5	-177.9	-137.2	0	0	0	0	114	K410 E459	K410-S438 WeakPolarHBondContact CB-O 3.49Å; K410-S438 WeakPolarHBondContact CG-O 3.12Å; S438-E459 VanDerWaalsContact CB-CD 3.43Å; S438-E459 WeakPolarHBondContact CB-OE1 3.14Å; S438-E459 VanDerWaalsContact OG-CD 3.29Å; S438-E459 PolarHBondContact OG-OE1 2.8Å
439	K	96.5	Very high	95.5	Very high	86 Å²	86	48.8 Å²	48.8	37%	0.374	24%	0.243	S	C	.	.			trans	-69.7	133.2	172.9	-62.3	-174.4	172.8	-176.3	0	109.4	V408 D457 Y458	V408-K439 HydrophobicContact CB-CD 3.99Å; V408-K439 HydrophobicContact CB-CG 4.4Å; V408-K439 HydrophobicContact CG1-CD 4.21Å; K439-D457 CarbonylContact O-C 3.53Å; K439-D457 WeakPolarHBondContact O-CA 3.27Å; K439-D457 WeakPolarHBondContact O-CB 3.5Å; K439-Y458 HydrophobicContact CB-CD1 3.97Å; K439-Y458 HydrophobicContact CB-CD2 3.91Å; K439-Y458 HydrophobicContact CB-CE1 4.33Å; K439-Y458 HydrophobicContact CB-CE2 4.29Å; K439-Y458 HydrophobicContact CB-CG 3.76Å; K439-Y458 HydrophobicContact CD-CD2 4.16Å; K439-Y458 HydrophobicContact CD-CE2 4.18Å; K439-Y458 HydrophobicContact CG-CD2 4.49Å; K439-Y458 WeakPolarHBondContact O-CD1 3.12Å; K439-Y458 PolarHBondContact O-N 3.38Å
440	I	97.9	Very high	95.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.8	-178.4	-56.9	128.8	0	0	0	109.2	S392 A406 G407 K411 I412 C436 I443 S456	S392-I440 WeakPolarHBondContact CB-O 3.26Å; S392-I440 PolarHBondContact OG-O 2.8Å; A406-I440 HydrophobicContact CB-CB 4.04Å; A406-I440 HydrophobicContact CB-CD1 4.28Å; A406-I440 HydrophobicContact CB-CG2 3.62Å; G407-I440 PolarHBondContact O-N 2.84Å; K411-I440 WeakPolarHBondContact O-CD1 3.35Å; I412-I440 HydrophobicContact CD1-CD1 4.5Å; I412-I440 HydrophobicContact CG1-CD1 3.7Å; I412-I440 HydrophobicContact CG1-CG1 4.4Å; C436-I440 HydrophobicContact CB-CD1 4.11Å; C436-I440 HydrophobicContact CB-CG1 4.07Å; I440-I443 HydrophobicContact CG2-CG2 4.21Å; I440-S456 WeakPolarHBondContact CG2-O 3.3Å
441	S	97.7	Very high	95.9	Very high	11 Å²	11	43.6 Å²	43.6	8%	0.077	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-39.4	179.3	53.1	0	0	0	0	112.8	S392 S456 C483 W484	S392-S441 WeakPolarHBondContact CB-O 3.44Å; S392-S441 PolarHBondContact OG-O 3.35Å; S441-S456 PolarHBondContact N-O 3.16Å; S441-S456 PolarHBondContact OG-O 3.02Å; S441-S456 PolarHBondContact OG-OG 2.87Å; S441-C483 VanDerWaalsContact CB-O 3.25Å; S441-C483 WeakPolarHBondContact CB-O 3.3Å; S441-C483 PolarHBondContact OG-O 2.83Å; S441-W484 WeakPolarHBondContact CB-O 3.45Å; S441-W484 PolarHBondContact OG-O 3.14Å
442	C	98.4	Very high	96	Very high	14 Å²	14	40.6 Å²	40.6	10%	0.095	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	151.3	-175.8	-176.2	0	0	0	0	110.7	S455 S456 W484	C442-S455 WeakPolarHBondContact O-CA 3.22Å; C442-S456 WeakPolarHBondContact CB-OG 3.47Å; C442-S456 PolarHBondContact N-OG 3.14Å; C442-S456 PolarHBondContact O-N 2.92Å; C442-S456 PolarHBondContact O-OG 3.1Å; C442-W484 WeakPolarHBondContact CB-O 3.45Å
443	I	98.4	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	155.1	168.5	46.5	161.6	0	0	0	109.8	S393 E395 A404 A406 I412 I440 L453 A454	S393-I443 VanDerWaalsContact OG-CG1 3.25Å; S393-I443 WeakPolarHBondContact OG-CG1 3.46Å; S393-I443 PolarHBondContact OG-N 3.37Å; S393-I443 VanDerWaalsContact OG-N 3.15Å; E395-I443 WeakPolarHBondContact CG-O 3.41Å; A404-I443 HydrophobicContact CB-CD1 3.55Å; A404-I443 VanDerWaalsContact O-CD1 3.31Å; A404-I443 WeakPolarHBondContact O-CD1 3.47Å; A406-I443 HydrophobicContact CB-CD1 4.31Å; A406-I443 HydrophobicContact CB-CG1 4.27Å; A406-I443 HydrophobicContact CB-CG2 3.75Å; I412-I443 HydrophobicContact CD1-CG2 4.27Å; I440-I443 HydrophobicContact CG2-CG2 4.21Å; I443-L453 HydrophobicContact CB-CD1 4.09Å; I443-A454 CarbonylContact C-O 3.59Å; I443-A454 WeakPolarHBondContact CA-O 3.23Å
444	S	98.1	Very high	96.3	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.049	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	127.4	173.4	-176.2	0	0	0	0	109.9	A454 V486 D487 F488	S444-A454 PolarHBondContact N-O 2.86Å; S444-A454 PolarHBondContact O-N 3.45Å; S444-V486 WeakPolarHBondContact CB-O 3.49Å; S444-D487 PolarHBondContact OG-OD1 3.11Å; S444-D487 VanDerWaalsContact OG-OD1 3.12Å; S444-F488 WeakPolarHBondContact O-CD2 3.28Å; S444-F488 WeakPolarHBondContact O-CE2 3.48Å; S444-F488 PolarHBondContact OG-N 2.93Å
445	W	97.6	Very high	96.4	Very high	17 Å²	17	35.5 Å²	35.5	6%	0.064	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	151.1	174.9	-71.9	96.3	0	0	0	111.2	E395 D397 A404 V414 K450 L453 F468 F488	E395-W445 PolarHBondContact O-NE1 3.46Å; E395-W445 VanDerWaalsContact O-NE1 3.15Å; D397-W445 HydrophobicContact CB-CD2 4.05Å; D397-W445 HydrophobicContact CB-CE3 4.3Å; D397-W445 HydrophobicContact CB-CG 4.4Å; D397-W445 HydrophobicContact CB-CZ2 4.44Å; A404-W445 HydrophobicContact CB-CZ2 3.82Å; V414-W445 HydrophobicContact CG1-CH2 4.36Å; V414-W445 HydrophobicContact CG1-CZ2 4.21Å; V414-W445 HydrophobicContact CG2-CH2 4.48Å; V414-W445 HydrophobicContact CG2-CZ2 4.33Å; W445-K450 VanDerWaalsContact CZ3-O 3.24Å; W445-K450 WeakPolarHBondContact CZ3-O 3.5Å; W445-L453 HydrophobicContact CD2-CB 4.25Å; W445-L453 HydrophobicContact CD2-CD1 3.77Å; W445-L453 HydrophobicContact CD2-CG 4.46Å; W445-L453 HydrophobicContact CE3-CB 3.92Å; W445-L453 HydrophobicContact CE3-CD1 4.32Å; W445-L453 HydrophobicContact CG-CD1 3.84Å; W445-L453 HydrophobicContact CH2-CD2 4.43Å; W445-L453 HydrophobicContact CZ2-CD2 4.21Å; W445-L453 HydrophobicContact CZ3-CB 4.05Å; W445-F468 HydrophobicContact CH2-CZ 4.43Å; W445-F468 HydrophobicContact CZ3-CE2 4.48Å; W445-F488 VanDerWaalsContact C-CD2 3.46Å; W445-F488 WeakPolarHBondContact O-CD2 3.48Å
446	S	96.8	Very high	96.6	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.014	16%	0.156	C	C	.	.			trans	-71.9	130.9	171.9	-178.5	0	0	0	0	111.1	Y448 H449 L452	S446-Y448 PolarHBondContact O-N 3.09Å; S446-Y448 VanDerWaalsContact O-N 3.08Å; S446-Y448 PolarHBondContact OG-N 3.02Å; S446-H449 PolarHBondContact OG-N 3.09Å; S446-L452 PolarHBondContact N-O 3.21Å
447	S	93.1	Very high	96.7	Very high	40 Å²	40	31.6 Å²	31.6	28%	0.28	16%	0.155	S	C	.	.	S	Bend	trans	-67.9	0.2	171.3	59.3	0	0	0	0	114.2	R398 L490	R398-S447 WeakPolarHBondContact CD-O 3.19Å; R398-S447 WeakPolarHBondContact CG-O 3.46Å; S447-L490 PolarHBondContact OG-O 3.46Å
448	Y	94.6	Very high	96.9	Very high	142 Å²	142	29.9 Å²	29.9	56%	0.557	14%	0.141	S	C	*	.	S	Bend	trans	-126.8	-52.1	-174.6	-172.6	-95.3	0	0	0	112.2	R398 S446 P493	R398-Y448 PolarHBondContact NH1-O 2.67Å; S446-Y448 PolarHBondContact O-N 3.09Å; S446-Y448 VanDerWaalsContact O-N 3.08Å; S446-Y448 PolarHBondContact OG-N 3.02Å; Y448-P493 HydrophobicContact CD1-CB 3.73Å; Y448-P493 HydrophobicContact CD1-CG 4.27Å; Y448-P493 HydrophobicContact CD2-CB 4.34Å; Y448-P493 HydrophobicContact CG-CB 3.64Å; Y448-P493 HydrophobicContact CG-CG 4.22Å
449	H	94.8	Very high	97	Very high	82 Å²	82	34.1 Å²	34.1	38%	0.38	16%	0.16	S	C	.	.			trans	-94.8	103	179.2	-67	-65.5	0	0	0	110.6	S446 N451 L452	S446-H449 PolarHBondContact OG-N 3.09Å; H449-N451 PolarHBondContact O-N 2.83Å; H449-L452 HydrophobicContact CB-CB 3.64Å; H449-L452 HydrophobicContact CB-CD2 4.32Å; H449-L452 PolarHBondContact O-N 2.89Å
450	K	93.7	Very high	97	Very high	59 Å²	59	30.1 Å²	30.1	26%	0.257	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.9	-175.8	-171.2	172.4	-168	156.3	0	114.5	D397 D399 D401 W445 F468	D397-K450 WeakPolarHBondContact OD2-CE 3.19Å; D397-K450 WeakPolarHBondContact OD2-CG 3.47Å; D399-K450 WeakPolarHBondContact OD2-CD 3.24Å; D399-K450 VanDerWaalsContact OD2-CE 3.31Å; D399-K450 WeakPolarHBondContact OD2-CE 3.48Å; D399-K450 IonicContact OD2-NZ 2.72Å; D399-K450 PolarHBondContact OD2-NZ 3.25Å; D401-K450 IonicContact OD2-NZ 2.67Å; D401-K450 PolarHBondContact OD2-NZ 3.42Å; W445-K450 VanDerWaalsContact CZ3-O 3.24Å; W445-K450 WeakPolarHBondContact CZ3-O 3.5Å; K450-F468 HydrophobicContact CG-CE2 4.45Å
451	N	95.4	Very high	97	Very high	64 Å²	64	30.6 Å²	30.6	34%	0.342	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-13.4	178.8	64.7	-35.4	0	0	0	114.6	H449 L453 D466 G467 F468	H449-N451 PolarHBondContact O-N 2.83Å; N451-L453 PolarHBondContact O-N 2.96Å; N451-D466 PolarHBondContact ND2-OD2 3.02Å; N451-D466 CarbonylContact O-C 3.55Å; N451-D466 WeakPolarHBondContact O-CA 3.41Å; N451-G467 PolarHBondContact O-N 2.88Å; N451-F468 HydrophobicContact CB-CD2 3.77Å; N451-F468 HydrophobicContact CB-CE2 4.17Å
452	L	97.6	Very high	97	Very high	20 Å²	20	30 Å²	30	11%	0.105	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	115.1	-170.2	-176.5	63.9	0	0	0	111.8	S446 H449 L464 F488 T510	S446-L452 PolarHBondContact N-O 3.21Å; H449-L452 HydrophobicContact CB-CB 3.64Å; H449-L452 HydrophobicContact CB-CD2 4.32Å; H449-L452 PolarHBondContact O-N 2.89Å; L452-L464 HydrophobicContact CD1-CB 4.23Å; L452-F488 HydrophobicContact CD1-CZ 4.5Å; L452-F488 HydrophobicContact CD2-CE1 3.89Å; L452-F488 HydrophobicContact CD2-CZ 3.69Å; L452-F488 HydrophobicContact CG-CE1 4.4Å; L452-F488 HydrophobicContact CG-CE2 4.34Å; L452-F488 HydrophobicContact CG-CZ 3.69Å; L452-T510 HydrophobicContact CD2-CG2 4.34Å
453	L	98.1	Very high	97	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128	-179.3	178.9	59.6	0	0	0	110.5	A404 I412 M434 I443 W445 N451 W465	A404-L453 HydrophobicContact CB-CD2 3.97Å; I412-L453 HydrophobicContact CG2-CD2 3.93Å; M434-L453 HydrophobicContact CE-CD2 4.06Å; I443-L453 HydrophobicContact CB-CD1 4.09Å; W445-L453 HydrophobicContact CD2-CB 4.25Å; W445-L453 HydrophobicContact CD2-CD1 3.77Å; W445-L453 HydrophobicContact CD2-CG 4.46Å; W445-L453 HydrophobicContact CE3-CB 3.92Å; W445-L453 HydrophobicContact CE3-CD1 4.32Å; W445-L453 HydrophobicContact CG-CD1 3.84Å; W445-L453 HydrophobicContact CH2-CD2 4.43Å; W445-L453 HydrophobicContact CZ2-CD2 4.21Å; W445-L453 HydrophobicContact CZ3-CB 4.05Å; N451-L453 PolarHBondContact O-N 2.96Å; L453-W465 HydrophobicContact CB-CB 4.47Å; L453-W465 PolarHBondContact N-O 2.81Å; L453-W465 PolarHBondContact O-N 2.67Å
454	A	98.4	Very high	97	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	146.3	171	0	0	0	0	0	110.7	I443 S444 I463 L464 V486 F488 L496	I443-A454 CarbonylContact C-O 3.59Å; I443-A454 WeakPolarHBondContact CA-O 3.23Å; S444-A454 PolarHBondContact N-O 2.86Å; S444-A454 PolarHBondContact O-N 3.45Å; A454-I463 CarbonylContact C-O 3.58Å; A454-I463 WeakPolarHBondContact CA-O 3.42Å; A454-L464 HydrophobicContact CB-CD2 3.69Å; A454-V486 HydrophobicContact CB-CG1 4.19Å; A454-V486 HydrophobicContact CB-CG2 3.82Å; A454-F488 HydrophobicContact CB-CD2 4.22Å; A454-F488 HydrophobicContact CB-CE2 3.54Å; A454-F488 HydrophobicContact CB-CZ 4Å; A454-L496 HydrophobicContact CB-CD1 4.29Å
455	S	98.4	Very high	97	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.7	171.9	69.4	0	0	0	0	111.8	C442 V462 I463 W465	C442-S455 WeakPolarHBondContact O-CA 3.22Å; S455-V462 WeakPolarHBondContact O-CA 3.19Å; S455-I463 PolarHBondContact N-O 3.31Å; S455-I463 PolarHBondContact O-N 3.02Å; S455-W465 PolarHBondContact OG-NE1 2.86Å
456	S	98.3	Very high	97	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.9	169.9	54.8	0	0	0	0	112.1	I440 S441 C442 T461 C483	I440-S456 WeakPolarHBondContact CG2-O 3.3Å; S441-S456 PolarHBondContact N-O 3.16Å; S441-S456 PolarHBondContact OG-O 3.02Å; S441-S456 PolarHBondContact OG-OG 2.87Å; C442-S456 WeakPolarHBondContact CB-OG 3.47Å; C442-S456 PolarHBondContact N-OG 3.14Å; C442-S456 PolarHBondContact O-N 2.92Å; C442-S456 PolarHBondContact O-OG 3.1Å; S456-T461 WeakPolarHBondContact CA-O 3.26Å; S456-C483 WeakPolarHBondContact CB-SG 3.37Å
457	D	97.7	Very high	96.9	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	172.8	-177.3	83.9	12	0	0	0	116	K439 E459 G460 T461 C483	K439-D457 CarbonylContact O-C 3.53Å; K439-D457 WeakPolarHBondContact O-CA 3.27Å; K439-D457 WeakPolarHBondContact O-CB 3.5Å; D457-E459 PolarHBondContact O-N 2.82Å; D457-E459 WeakPolarHBondContact OD1-CA 3.47Å; D457-E459 WeakPolarHBondContact OD1-CB 3.24Å; D457-E459 PolarHBondContact OD1-N 2.82Å; D457-G460 PolarHBondContact O-N 2.84Å; D457-G460 VanDerWaalsContact O-N 3.12Å; D457-G460 PolarHBondContact OD1-N 2.74Å; D457-T461 PolarHBondContact N-O 2.96Å; D457-T461 PolarHBondContact OD1-N 2.66Å; D457-C483 PolarHBondContact O-N 2.89Å; D457-C483 VanDerWaalsContact O-N 3.08Å
458	Y	97.4	Very high	97	Very high	67 Å²	67	31.8 Å²	31.8	26%	0.263	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-10.5	-177	-84.9	37.2	0	0	0	114.6	K439 R482	K439-Y458 HydrophobicContact CB-CD1 3.97Å; K439-Y458 HydrophobicContact CB-CD2 3.91Å; K439-Y458 HydrophobicContact CB-CE1 4.33Å; K439-Y458 HydrophobicContact CB-CE2 4.29Å; K439-Y458 HydrophobicContact CB-CG 3.76Å; K439-Y458 HydrophobicContact CD-CD2 4.16Å; K439-Y458 HydrophobicContact CD-CE2 4.18Å; K439-Y458 HydrophobicContact CG-CD2 4.49Å; K439-Y458 WeakPolarHBondContact O-CD1 3.12Å; K439-Y458 PolarHBondContact O-N 3.38Å; Y458-R482 HydrophobicContact CD1-CG 4.07Å; Y458-R482 VanDerWaalsContact CD2-NE 3.27Å; Y458-R482 HydrophobicContact CG-CG 4.3Å
459	E	97.3	Very high	97	Very high	102 Å²	102	29 Å²	29	48%	0.477	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-13	170.1	-83.9	147.5	-132.6	0	0	111.8	S438 D457	S438-E459 VanDerWaalsContact CB-CD 3.43Å; S438-E459 WeakPolarHBondContact CB-OE1 3.14Å; S438-E459 VanDerWaalsContact OG-CD 3.29Å; S438-E459 PolarHBondContact OG-OE1 2.8Å; D457-E459 PolarHBondContact O-N 2.82Å; D457-E459 WeakPolarHBondContact OD1-CA 3.47Å; D457-E459 WeakPolarHBondContact OD1-CB 3.24Å; D457-E459 PolarHBondContact OD1-N 2.82Å
460	G	96.4	Very high	97	Very high	2 Å²	2	26.2 Å²	26.2	2%	0.021	14%	0.135	C	C	.	.	S	Bend	trans	98.8	-0	-176.3	0	0	0	0	0	113.5	D457 K481	D457-G460 PolarHBondContact O-N 2.84Å; D457-G460 VanDerWaalsContact O-N 3.12Å; D457-G460 PolarHBondContact OD1-N 2.74Å; G460-K481 VanDerWaalsContact CA-O 3.24Å; G460-K481 WeakPolarHBondContact CA-O 3.46Å
461	T	97.9	Very high	97.1	Very high	9 Å²	9	29.9 Å²	29.9	6%	0.055	15%	0.153	C	C	.	.			trans	-71.8	137.2	179.3	-49.6	0	0	0	0	110	S456 D457 I463 V475 Y476 Q477	S456-T461 WeakPolarHBondContact CA-O 3.26Å; D457-T461 PolarHBondContact N-O 2.96Å; D457-T461 PolarHBondContact OD1-N 2.66Å; T461-I463 HydrophobicContact CG2-CD1 4.1Å; T461-I463 HydrophobicContact CG2-CG1 3.52Å; T461-V475 HydrophobicContact CG2-CG1 3.67Å; T461-Y476 WeakPolarHBondContact CA-O 3.37Å; T461-Q477 HydrophobicContact CG2-CG 3.79Å; T461-Q477 PolarHBondContact OG1-NE2 3.21Å; T461-Q477 VanDerWaalsContact OG1-NE2 3.17Å
462	V	98.4	Very high	97.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117.6	164.3	-178.1	0	0	0	0	108.1	S455 Y476 V486 L496	S455-V462 WeakPolarHBondContact O-CA 3.19Å; V462-Y476 HydrophobicContact CB-CD2 4.24Å; V462-Y476 HydrophobicContact CG1-CD2 4.23Å; V462-Y476 PolarHBondContact N-O 3.12Å; V462-Y476 WeakPolarHBondContact O-CB 3.39Å; V462-Y476 WeakPolarHBondContact O-CD2 3.48Å; V462-Y476 PolarHBondContact O-N 2.85Å; V462-V486 HydrophobicContact CG1-CB 4.44Å; V462-V486 HydrophobicContact CG1-CG2 3.76Å; V462-L496 HydrophobicContact CG1-CD1 4.06Å
463	I	98.3	Very high	96.9	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.5	-176.4	-52.6	177.3	0	0	0	109.1	A454 S455 T461 W465 R472 V475	A454-I463 CarbonylContact C-O 3.58Å; A454-I463 WeakPolarHBondContact CA-O 3.42Å; S455-I463 PolarHBondContact N-O 3.31Å; S455-I463 PolarHBondContact O-N 3.02Å; T461-I463 HydrophobicContact CG2-CD1 4.1Å; T461-I463 HydrophobicContact CG2-CG1 3.52Å; I463-W465 HydrophobicContact CB-CZ2 4.38Å; I463-W465 HydrophobicContact CD1-CZ2 3.94Å; I463-W465 HydrophobicContact CG2-CD2 3.99Å; I463-W465 VanDerWaalsContact CG2-CE2 3.49Å; I463-W465 HydrophobicContact CG2-CG 4.23Å; I463-W465 HydrophobicContact CG2-CZ2 3.9Å; I463-R472 HydrophobicContact CG2-CB 4.27Å; I463-R472 HydrophobicContact CG2-CG 3.96Å; I463-V475 HydrophobicContact CG2-CG2 4.3Å
464	L	98.3	Very high	96.8	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.4	166.8	-59.4	-171.3	0	0	0	109.8	L452 A454 R472 S473 K474 Y476 F488 L496 T510	L452-L464 HydrophobicContact CD1-CB 4.23Å; A454-L464 HydrophobicContact CB-CD2 3.69Å; L464-R472 CarbonylContact O-C 3.5Å; L464-S473 PolarHBondContact O-N 3Å; L464-K474 HydrophobicContact CB-CB 4.13Å; L464-K474 HydrophobicContact CD1-CB 4.01Å; L464-K474 HydrophobicContact CD1-CG 4.19Å; L464-K474 HydrophobicContact CG-CB 4.08Å; L464-K474 PolarHBondContact N-O 2.69Å; L464-Y476 HydrophobicContact CD1-CE2 3.94Å; L464-Y476 HydrophobicContact CD2-CE2 4.47Å; L464-Y476 HydrophobicContact CG-CE2 3.89Å; L464-F488 HydrophobicContact CD2-CZ 3.9Å; L464-L496 HydrophobicContact CD1-CD2 4.4Å; L464-L496 HydrophobicContact CD2-CD1 3.84Å; L464-L496 HydrophobicContact CD2-CD2 4.35Å; L464-T510 HydrophobicContact CD1-CG2 3.85Å
465	W	98	Very high	96.8	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.019	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	150.1	-178.4	-55.4	86.3	0	0	0	111.1	M434 T435 C436 L453 S455 I463 Q471 R472	M434-W465 HydrophobicContact CB-CE3 4.06Å; M434-W465 HydrophobicContact CB-CH2 4.18Å; M434-W465 HydrophobicContact CB-CZ3 3.85Å; M434-W465 HydrophobicContact CG-CE3 3.91Å; M434-W465 HydrophobicContact CG-CZ3 4.08Å; M434-W465 HydrophobicContact SD-CB 3.82Å; M434-W465 HydrophobicContact SD-CD2 3.85Å; M434-W465 HydrophobicContact SD-CE3 3.66Å; M434-W465 HydrophobicContact SD-CG 3.96Å; M434-W465 HydrophobicContact SD-CZ3 4.4Å; T435-W465 WeakPolarHBondContact O-CH2 3.39Å; C436-W465 VanDerWaalsContact SG-CZ2 3.56Å; L453-W465 HydrophobicContact CB-CB 4.47Å; L453-W465 PolarHBondContact N-O 2.81Å; L453-W465 PolarHBondContact O-N 2.67Å; S455-W465 PolarHBondContact OG-NE1 2.86Å; I463-W465 HydrophobicContact CB-CZ2 4.38Å; I463-W465 HydrophobicContact CD1-CZ2 3.94Å; I463-W465 HydrophobicContact CG2-CD2 3.99Å; I463-W465 VanDerWaalsContact CG2-CE2 3.49Å; I463-W465 HydrophobicContact CG2-CG 4.23Å; I463-W465 HydrophobicContact CG2-CZ2 3.9Å; W465-Q471 CarbonylContact C-O 3.59Å; W465-Q471 WeakPolarHBondContact CA-O 3.32Å; W465-R472 HydrophobicContact CD2-CG 4.17Å; W465-R472 HydrophobicContact CE3-CG 3.61Å; W465-R472 HydrophobicContact CH2-CG 3.86Å; W465-R472 HydrophobicContact CZ2-CG 4.32Å; W465-R472 HydrophobicContact CZ3-CG 3.45Å; W465-R472 VanDerWaalsContact CZ3-CG 3.45Å
466	D	97.4	Very high	96.7	Very high	33 Å²	33	40.7 Å²	40.7	18%	0.176	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	113.6	148	-177.1	-51.9	0	0	0	108.3	N451 F468 T469 G470 Q471	N451-D466 PolarHBondContact ND2-OD2 3.02Å; N451-D466 CarbonylContact O-C 3.55Å; N451-D466 WeakPolarHBondContact O-CA 3.41Å; D466-F468 PolarHBondContact O-N 3.43Å; D466-F468 PolarHBondContact OD1-N 2.97Å; D466-T469 VanDerWaalsContact CB-OG1 3.26Å; D466-T469 WeakPolarHBondContact CB-OG1 3.29Å; D466-T469 PolarHBondContact OD1-N 3.31Å; D466-T469 PolarHBondContact OD1-OG1 2.9Å; D466-G470 VanDerWaalsContact O-CA 3.28Å; D466-G470 WeakPolarHBondContact O-CA 3.32Å; D466-G470 PolarHBondContact O-N 2.95Å; D466-Q471 PolarHBondContact N-O 3.15Å
467	G	95.1	Very high	96.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.8	-175.2	0	0	0	0	0	115	N432 N451	N432-G467 PolarHBondContact ND2-O 2.98Å; N451-G467 PolarHBondContact O-N 2.88Å
468	F	95.4	Very high	96.7	Very high	69 Å²	69	50 Å²	50	30%	0.303	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-35.6	-178.6	-59.4	-71.9	0	0	0	112.7	Y402 N432 W445 K450 N451 D466	Y402-F468 AromaticContact CD1-CE1 3.97Å; Y402-F468 HydrophobicContact CD1-CE1 3.97Å; Y402-F468 AromaticContact CD2-CE1 3.78Å; Y402-F468 HydrophobicContact CD2-CE1 3.78Å; Y402-F468 AromaticContact CD2-CZ 3.67Å; Y402-F468 HydrophobicContact CD2-CZ 3.67Å; Y402-F468 HydrophobicContact CE1-CE1 4.11Å; Y402-F468 AromaticContact CE2-CE1 3.91Å; Y402-F468 HydrophobicContact CE2-CE1 3.91Å; Y402-F468 HydrophobicContact CE2-CZ 4.01Å; Y402-F468 AromaticContact CG-CE1 3.84Å; Y402-F468 HydrophobicContact CG-CE1 3.84Å; Y402-F468 HydrophobicContact CG-CZ 4.03Å; N432-F468 PolarHBondContact ND2-O 3.16Å; W445-F468 HydrophobicContact CH2-CZ 4.43Å; W445-F468 HydrophobicContact CZ3-CE2 4.48Å; K450-F468 HydrophobicContact CG-CE2 4.45Å; N451-F468 HydrophobicContact CB-CD2 3.77Å; N451-F468 HydrophobicContact CB-CE2 4.17Å; D466-F468 PolarHBondContact O-N 3.43Å; D466-F468 PolarHBondContact OD1-N 2.97Å
469	T	95.6	Very high	96.7	Very high	83 Å²	83	47.4 Å²	47.4	51%	0.509	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-12.5	175.6	68.7	0	0	0	0	113.5	D466 Q471	D466-T469 VanDerWaalsContact CB-OG1 3.26Å; D466-T469 WeakPolarHBondContact CB-OG1 3.29Å; D466-T469 PolarHBondContact OD1-N 3.31Å; D466-T469 PolarHBondContact OD1-OG1 2.9Å; T469-Q471 PolarHBondContact O-N 3.2Å
470	G	94.1	Very high	96.7	Very high	23 Å²	23	49 Å²	49	24%	0.237	25%	0.251	C	S	.	.			trans	71.4	7.2	-178.8	0	0	0	0	0	115	N432 D466	N432-G470 PolarHBondContact ND2-N 2.94Å; D466-G470 VanDerWaalsContact O-CA 3.28Å; D466-G470 WeakPolarHBondContact O-CA 3.32Å; D466-G470 PolarHBondContact O-N 2.95Å
471	Q	95.8	Very high	96.8	Very high	137 Å²	137	54 Å²	54	64%	0.64	27%	0.272	S	S	*	.			trans	-76.9	139.1	-177.6	-64.4	-173	13.6	0	0	111.8	W465 D466 T469	W465-Q471 CarbonylContact C-O 3.59Å; W465-Q471 WeakPolarHBondContact CA-O 3.32Å; D466-Q471 PolarHBondContact N-O 3.15Å; T469-Q471 PolarHBondContact O-N 3.2Å
472	R	95.7	Very high	96.8	Very high	115 Å²	115	57.2 Å²	57.2	43%	0.434	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	117	173.4	-61.3	177.4	-174.7	170.5	-0.2	109.2	T435 I463 L464 W465 V475	T435-R472 PolarHBondContact O-NH2 2.97Å; I463-R472 HydrophobicContact CG2-CB 4.27Å; I463-R472 HydrophobicContact CG2-CG 3.96Å; L464-R472 CarbonylContact O-C 3.5Å; W465-R472 HydrophobicContact CD2-CG 4.17Å; W465-R472 HydrophobicContact CE3-CG 3.61Å; W465-R472 HydrophobicContact CH2-CG 3.86Å; W465-R472 HydrophobicContact CZ2-CG 4.32Å; W465-R472 HydrophobicContact CZ3-CG 3.45Å; W465-R472 VanDerWaalsContact CZ3-CG 3.45Å; R472-V475 HydrophobicContact CB-CG2 4.46Å
473	S	93.6	Very high	96.8	Very high	87 Å²	87	57.2 Å²	57.2	61%	0.608	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	-41.7	-178.8	178.6	0	0	0	0	112.6	L464	L464-S473 PolarHBondContact O-N 3Å
474	K	96	Very high	96.8	Very high	40 Å²	40	58.8 Å²	58.8	17%	0.174	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.4	173.7	-68.2	-65.4	-166.2	-176	0	110.3	L464 Y476 T510 D513	L464-K474 HydrophobicContact CB-CB 4.13Å; L464-K474 HydrophobicContact CD1-CB 4.01Å; L464-K474 HydrophobicContact CD1-CG 4.19Å; L464-K474 HydrophobicContact CG-CB 4.08Å; L464-K474 PolarHBondContact N-O 2.69Å; K474-Y476 HydrophobicContact CB-CE1 4.26Å; K474-Y476 HydrophobicContact CB-CE2 4.04Å; K474-T510 WeakPolarHBondContact CE-O 3.05Å; K474-D513 WeakPolarHBondContact CD-OD1 3.28Å; K474-D513 IonicContact NZ-OD1 3.89Å; K474-D513 PolarHBondContact NZ-OD1 3.36Å; K474-D513 IonicContact NZ-OD2 3.21Å; K474-D513 PolarHBondContact NZ-OD2 3.19Å; K474-D513 VanDerWaalsContact NZ-OD2 3.09Å
475	V	97.4	Very high	96.8	Very high	69 Å²	69	59.1 Å²	59.1	42%	0.418	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	105.6	176.6	179.1	0	0	0	0	107.5	T461 I463 R472 Q477	T461-V475 HydrophobicContact CG2-CG1 3.67Å; I463-V475 HydrophobicContact CG2-CG2 4.3Å; R472-V475 HydrophobicContact CB-CG2 4.46Å; V475-Q477 HydrophobicContact CG1-CG 4.13Å
476	Y	97.9	Very high	96.8	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.7	-177.4	-59.2	-61.5	0	0	0	110.5	T461 V462 L464 K474 L496 W508 S509 L512 D513	T461-Y476 WeakPolarHBondContact CA-O 3.37Å; V462-Y476 HydrophobicContact CB-CD2 4.24Å; V462-Y476 HydrophobicContact CG1-CD2 4.23Å; V462-Y476 PolarHBondContact N-O 3.12Å; V462-Y476 WeakPolarHBondContact O-CB 3.39Å; V462-Y476 WeakPolarHBondContact O-CD2 3.48Å; V462-Y476 PolarHBondContact O-N 2.85Å; L464-Y476 HydrophobicContact CD1-CE2 3.94Å; L464-Y476 HydrophobicContact CD2-CE2 4.47Å; L464-Y476 HydrophobicContact CG-CE2 3.89Å; K474-Y476 HydrophobicContact CB-CE1 4.26Å; K474-Y476 HydrophobicContact CB-CE2 4.04Å; Y476-L496 HydrophobicContact CE2-CD2 4.49Å; Y476-W508 HydrophobicContact CD1-CD2 4.14Å; Y476-W508 AromaticContact CD1-CE3 3.46Å; Y476-W508 HydrophobicContact CD1-CE3 3.46Å; Y476-W508 VanDerWaalsContact CD1-CE3 3.46Å; Y476-W508 AromaticContact CD1-CZ3 3.86Å; Y476-W508 HydrophobicContact CD1-CZ3 3.86Å; Y476-W508 HydrophobicContact CD2-CB 4.37Å; Y476-W508 HydrophobicContact CD2-CD2 4.1Å; Y476-W508 HydrophobicContact CD2-CE3 4.24Å; Y476-W508 HydrophobicContact CD2-CG 4.17Å; Y476-W508 HydrophobicContact CE1-CB 4.4Å; Y476-W508 HydrophobicContact CE1-CE3 4.05Å; Y476-W508 HydrophobicContact CE2-CB 3.99Å; Y476-W508 HydrophobicContact CE2-CG 4.28Å; Y476-W508 AromaticContact CG-CD2 3.87Å; Y476-W508 HydrophobicContact CG-CD2 3.87Å; Y476-W508 AromaticContact CG-CE3 3.57Å; Y476-W508 HydrophobicContact CG-CE3 3.57Å; Y476-W508 HydrophobicContact CG-CG 4.39Å; Y476-W508 HydrophobicContact CG-CH2 4.46Å; Y476-W508 AromaticContact CG-CZ3 3.91Å; Y476-W508 HydrophobicContact CG-CZ3 3.91Å; Y476-S509 PolarHBondContact OH-O 2.77Å; Y476-L512 WeakPolarHBondContact CE1-O 3.36Å; Y476-L512 PolarHBondContact OH-O 3.21Å; Y476-D513 WeakPolarHBondContact CD1-O 3.4Å
477	Q	96.7	Very high	96.8	Very high	140 Å²	140	57.5 Å²	57.5	65%	0.654	28%	0.283	S	S	*	.			trans	-132.9	68.8	-175.5	-70.1	-173.7	-33	0	0	111.4	T461 V475	T461-Q477 HydrophobicContact CG2-CG 3.79Å; T461-Q477 PolarHBondContact OG1-NE2 3.21Å; T461-Q477 VanDerWaalsContact OG1-NE2 3.17Å; V475-Q477 HydrophobicContact CG1-CG 4.13Å
478	E	97.6	Very high	97	Very high	57 Å²	57	57.6 Å²	57.6	27%	0.266	28%	0.283	S	S	.	.			trans	-124.1	-4.9	173.3	-49.4	178	-173.9	0	0	114.3	K506 W508 N514 S515	E478-K506 HydrophobicContact CB-CD 4.01Å; E478-K506 VanDerWaalsContact O-CE 3.24Å; E478-K506 WeakPolarHBondContact O-CE 3.48Å; E478-K506 IonicContact OE2-NZ 2.65Å; E478-K506 PolarHBondContact OE2-NZ 3.36Å; E478-W508 HydrophobicContact CB-CH2 3.82Å; E478-W508 HydrophobicContact CB-CZ3 4.37Å; E478-W508 HydrophobicContact CG-CH2 3.81Å; E478-W508 HydrophobicContact CG-CZ3 3.86Å; E478-N514 WeakPolarHBondContact OE1-CA 3.45Å; E478-N514 WeakPolarHBondContact OE1-CB 3.25Å; E478-S515 PolarHBondContact OE1-N 2.85Å; E478-S515 WeakPolarHBondContact OE2-CB 3.31Å; E478-S515 PolarHBondContact OE2-OG 2.97Å
479	H	97.9	Very high	97.1	Very high	14 Å²	14	54.4 Å²	54.4	7%	0.065	27%	0.269	C	S	.	.			trans	-81.1	133.7	172.1	-80.8	-61.5	0	0	0	109.5	K481 S498 S500 D502 K504	H479-K481 VanDerWaalsContact C-N 3.29Å; H479-K481 PolarHBondContact O-N 2.78Å; H479-S498 PolarHBondContact NE2-OG 2.92Å; H479-S500 VanDerWaalsContact ND1-CB 3.3Å; H479-S500 WeakPolarHBondContact ND1-CB 3.46Å; H479-D502 VanDerWaalsContact CA-OD2 3.27Å; H479-D502 WeakPolarHBondContact CA-OD2 3.33Å; H479-D502 IonicContact CE1-OD1 3.94Å; H479-D502 IonicContact CE1-OD2 2.67Å; H479-D502 IonicContact CG-OD2 4Å; H479-D502 IonicContact ND1-OD1 3.65Å; H479-D502 PolarHBondContact ND1-OD1 2.84Å; H479-D502 IonicContact ND1-OD2 2.66Å; H479-D502 PolarHBondContact ND1-OD2 2.96Å; H479-K504 PolarHBondContact CE1-O 2.82Å
480	E	97.4	Very high	96.9	Very high	136 Å²	136	54.3 Å²	54.3	64%	0.636	27%	0.265	S	S	*	.	S	Bend	trans	-83.1	-9.5	-174.7	-67.1	158.3	-129.4	0	0	113	D502 K504	E480-D502 HydrophobicContact CB-CB 4.13Å; E480-D502 PolarHBondContact N-OD2 2.76Å; E480-D502 VanDerWaalsContact N-OD2 3.17Å; E480-K504 IonicContact OE1-NZ 3.45Å; E480-K504 PolarHBondContact OE1-NZ 3.14Å
481	K	98.1	Very high	96.9	Very high	106 Å²	106	58.5 Å²	58.5	46%	0.461	28%	0.28	S	S	.	.	S	Bend	trans	-149.5	170.9	-176.6	-53.2	-175.9	-145.5	154.6	0	109.9	G460 H479 C483 S500 D501 D502	G460-K481 VanDerWaalsContact CA-O 3.24Å; G460-K481 WeakPolarHBondContact CA-O 3.46Å; H479-K481 VanDerWaalsContact C-N 3.29Å; H479-K481 PolarHBondContact O-N 2.78Å; K481-C483 PolarHBondContact O-N 2.81Å; K481-S500 PolarHBondContact O-OG 3.4Å; K481-D501 HydrophobicContact CB-CB 3.83Å; K481-D501 HydrophobicContact CD-CB 4.03Å; K481-D501 WeakPolarHBondContact CD-O 3.35Å; K481-D501 PolarHBondContact NZ-O 3.06Å; K481-D502 HydrophobicContact CB-CB 4.46Å; K481-D502 HydrophobicContact CG-CB 4.35Å
482	R	97.8	Very high	96.9	Very high	77 Å²	77	53 Å²	53	29%	0.291	26%	0.255	S	S	.	.			trans	-32.7	119.1	171.4	170.9	-179.2	-54.9	146.7	15.9	112.4	Y458 W484 S500 D501	Y458-R482 HydrophobicContact CD1-CG 4.07Å; Y458-R482 VanDerWaalsContact CD2-NE 3.27Å; Y458-R482 HydrophobicContact CG-CG 4.3Å; R482-W484 VanDerWaalsContact CD-CE2 3.43Å; R482-W484 VanDerWaalsContact CD-CZ2 3.43Å; R482-W484 HydrophobicContact CG-CD2 4.22Å; R482-W484 HydrophobicContact CG-CG 4.5Å; R482-W484 VanDerWaalsContact NH1-CH2 3.33Å; R482-W484 VanDerWaalsContact NH1-CZ2 3.26Å; R482-S500 WeakPolarHBondContact O-CA 3.46Å; R482-S500 WeakPolarHBondContact O-CB 3.34Å; R482-S500 PolarHBondContact O-OG 2.88Å; R482-D501 PolarHBondContact O-N 3.15Å
483	C	98.3	Very high	96.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	131.9	163.9	-177.7	0	0	0	0	108.2	S441 S456 D457 K481 S485 G499	S441-C483 VanDerWaalsContact CB-O 3.25Å; S441-C483 WeakPolarHBondContact CB-O 3.3Å; S441-C483 PolarHBondContact OG-O 2.83Å; S456-C483 WeakPolarHBondContact CB-SG 3.37Å; D457-C483 PolarHBondContact O-N 2.89Å; D457-C483 VanDerWaalsContact O-N 3.08Å; K481-C483 PolarHBondContact O-N 2.81Å; C483-S485 PolarHBondContact SG-O 2.89Å; C483-S485 VanDerWaalsContact SG-O 3.4Å; C483-G499 CarbonylContact C-O 3.56Å; C483-G499 WeakPolarHBondContact CA-O 3.27Å; C483-G499 PolarHBondContact SG-O 2.91Å
484	W	98.1	Very high	96.9	Very high	41 Å²	41	50.5 Å²	50.5	16%	0.155	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-27.6	-179.6	-77.1	110.1	0	0	0	113.5	S441 C442 R482 G499 D501 C526 F612	S441-W484 WeakPolarHBondContact CB-O 3.45Å; S441-W484 PolarHBondContact OG-O 3.14Å; C442-W484 WeakPolarHBondContact CB-O 3.45Å; R482-W484 VanDerWaalsContact CD-CE2 3.43Å; R482-W484 VanDerWaalsContact CD-CZ2 3.43Å; R482-W484 HydrophobicContact CG-CD2 4.22Å; R482-W484 HydrophobicContact CG-CG 4.5Å; R482-W484 VanDerWaalsContact NH1-CH2 3.33Å; R482-W484 VanDerWaalsContact NH1-CZ2 3.26Å; W484-G499 PolarHBondContact N-O 2.91Å; W484-D501 PolarHBondContact NE1-OD1 3.15Å; W484-D501 PolarHBondContact NE1-OD2 3.15Å; W484-C526 VanDerWaalsContact CB-O 3.27Å; W484-C526 WeakPolarHBondContact CB-O 3.45Å; W484-F612 HydrophobicContact CD2-CZ 4.21Å; W484-F612 HydrophobicContact CE3-CE1 4.37Å; W484-F612 HydrophobicContact CE3-CE2 4.27Å; W484-F612 HydrophobicContact CE3-CZ 4.04Å; W484-F612 HydrophobicContact CH2-CD2 4.47Å; W484-F612 AromaticContact CH2-CE2 3.86Å; W484-F612 HydrophobicContact CH2-CE2 3.86Å; W484-F612 HydrophobicContact CH2-CZ 4.31Å; W484-F612 HydrophobicContact CZ2-CE2 4.31Å; W484-F612 HydrophobicContact CZ2-CZ 4.47Å; W484-F612 HydrophobicContact CZ3-CD2 4.21Å; W484-F612 AromaticContact CZ3-CE2 3.85Å; W484-F612 HydrophobicContact CZ3-CE2 3.85Å; W484-F612 HydrophobicContact CZ3-CZ 4.1Å
485	S	98.1	Very high	97	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.063	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	138.1	-168.1	178.5	0	0	0	0	110.9	C483 S498 G499 V528	C483-S485 PolarHBondContact SG-O 2.89Å; C483-S485 VanDerWaalsContact SG-O 3.4Å; S485-S498 CarbonylContact O-C 3.57Å; S485-S498 WeakPolarHBondContact O-CA 3.27Å; S485-G499 PolarHBondContact O-N 2.88Å; S485-V528 PolarHBondContact OG-N 3.12Å; S485-V528 PolarHBondContact OG-O 3.25Å
486	V	98.5	Very high	97	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.2	170.4	61.4	0	0	0	0	109.1	S444 A454 V462 L496 A497	S444-V486 WeakPolarHBondContact CB-O 3.49Å; A454-V486 HydrophobicContact CB-CG1 4.19Å; A454-V486 HydrophobicContact CB-CG2 3.82Å; V462-V486 HydrophobicContact CG1-CB 4.44Å; V462-V486 HydrophobicContact CG1-CG2 3.76Å; V486-L496 HydrophobicContact CG2-CD1 3.79Å; V486-A497 CarbonylContact C-O 3.51Å; V486-A497 VanDerWaalsContact CA-O 3.31Å; V486-A497 WeakPolarHBondContact CA-O 3.41Å
487	D	98.4	Very high	97.1	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	138	176.2	-165.4	41.6	0	0	0	113.2	S444 L496 A497 V528 K529 F530	S444-D487 PolarHBondContact OG-OD1 3.11Å; S444-D487 VanDerWaalsContact OG-OD1 3.12Å; D487-L496 CarbonylContact O-C 3.59Å; D487-L496 WeakPolarHBondContact O-CA 3.19Å; D487-L496 VanDerWaalsContact O-CB 3.27Å; D487-L496 WeakPolarHBondContact O-CB 3.35Å; D487-A497 PolarHBondContact N-O 2.98Å; D487-A497 PolarHBondContact O-N 3.35Å; D487-V528 HydrophobicContact CB-CG2 4.31Å; D487-K529 WeakPolarHBondContact OD1-CE 3.45Å; D487-K529 IonicContact OD1-NZ 2.67Å; D487-K529 PolarHBondContact OD1-NZ 2.68Å; D487-K529 WeakPolarHBondContact OD2-CA 3.33Å; D487-K529 WeakPolarHBondContact OD2-CD 3.39Å; D487-K529 IonicContact OD2-NZ 3.9Å; D487-F530 HydrophobicContact CB-CD2 4.32Å; D487-F530 WeakPolarHBondContact O-CE2 3.27Å; D487-F530 PolarHBondContact OD2-N 2.94Å
488	F	98.1	Very high	97.1	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	146.4	169.6	-84.3	-73.1	0	0	0	111.7	S444 W445 L452 A454 L464 L490 L496 T510 F530	S444-F488 WeakPolarHBondContact O-CD2 3.28Å; S444-F488 WeakPolarHBondContact O-CE2 3.48Å; S444-F488 PolarHBondContact OG-N 2.93Å; W445-F488 VanDerWaalsContact C-CD2 3.46Å; W445-F488 WeakPolarHBondContact O-CD2 3.48Å; L452-F488 HydrophobicContact CD1-CZ 4.5Å; L452-F488 HydrophobicContact CD2-CE1 3.89Å; L452-F488 HydrophobicContact CD2-CZ 3.69Å; L452-F488 HydrophobicContact CG-CE1 4.4Å; L452-F488 HydrophobicContact CG-CE2 4.34Å; L452-F488 HydrophobicContact CG-CZ 3.69Å; A454-F488 HydrophobicContact CB-CD2 4.22Å; A454-F488 HydrophobicContact CB-CE2 3.54Å; A454-F488 HydrophobicContact CB-CZ 4Å; L464-F488 HydrophobicContact CD2-CZ 3.9Å; F488-L490 PolarHBondContact O-N 2.83Å; F488-L496 HydrophobicContact CD1-CB 3.87Å; F488-L496 HydrophobicContact CE1-CB 4.15Å; F488-L496 HydrophobicContact CE1-CD2 4.07Å; F488-L496 HydrophobicContact CG-CB 4.39Å; F488-T510 HydrophobicContact CE1-CG2 4.24Å; F488-F530 WeakPolarHBondContact O-CD2 3.37Å
489	N	97.3	Very high	97.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	17%	0.174	C	C	.	.			trans	-75.1	111.6	172.2	-171.6	-19.8	0	0	0	110.2	M491 D492 L495 F530 R535	N489-M491 PolarHBondContact O-N 2.88Å; N489-M491 PolarHBondContact OD1-N 3.01Å; N489-M491 VanDerWaalsContact OD1-N 3.09Å; N489-D492 HydrophobicContact CB-CB 4.1Å; N489-D492 CarbonylContact O-C 3.59Å; N489-D492 PolarHBondContact O-N 3.38Å; N489-D492 VanDerWaalsContact O-N 3.09Å; N489-D492 VanDerWaalsContact O-O 3.14Å; N489-D492 PolarHBondContact OD1-N 2.9Å; N489-L495 HydrophobicContact CB-CB 3.91Å; N489-L495 VanDerWaalsContact CB-O 3.27Å; N489-L495 WeakPolarHBondContact CB-O 3.41Å; N489-L495 PolarHBondContact N-O 2.78Å; N489-F530 HydrophobicContact CB-CD1 3.77Å; N489-F530 HydrophobicContact CB-CD2 3.98Å; N489-F530 HydrophobicContact CB-CE1 3.73Å; N489-F530 HydrophobicContact CB-CE2 3.94Å; N489-F530 HydrophobicContact CB-CG 3.9Å; N489-F530 HydrophobicContact CB-CZ 3.82Å; N489-F530 VanDerWaalsContact CG-CD1 3.5Å; N489-F530 WeakPolarHBondContact ND2-CE1 3.32Å; N489-R535 PolarHBondContact ND2-O 2.8Å; N489-R535 WeakPolarHBondContact OD1-CA 3.15Å
490	L	92.6	Very high	97.2	Very high	82 Å²	82	36.4 Å²	36.4	43%	0.429	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.3	-178.5	-64.6	171.9	0	0	0	113.3	S447 F488 P532	S447-L490 PolarHBondContact OG-O 3.46Å; F488-L490 PolarHBondContact O-N 2.83Å; L490-P532 HydrophobicContact CD1-CB 3.87Å
491	M	94.3	Very high	97.2	Very high	110 Å²	110	31.2 Å²	31.2	54%	0.542	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	6.3	-175.5	-63.4	-68.8	-77.8	0	0	113.5	N489 R535	N489-M491 PolarHBondContact O-N 2.88Å; N489-M491 PolarHBondContact OD1-N 3.01Å; N489-M491 VanDerWaalsContact OD1-N 3.09Å; M491-R535 HydrophobicContact CB-CB 3.75Å
492	D	95.3	Very high	97.2	Very high	23 Å²	23	26.9 Å²	26.9	12%	0.123	13%	0.129	C	C	.	.			trans	-148.8	103.7	174.4	-174.3	-15.2	0	0	0	110.6	N489 K494 L495 R535	N489-D492 HydrophobicContact CB-CB 4.1Å; N489-D492 CarbonylContact O-C 3.59Å; N489-D492 PolarHBondContact O-N 3.38Å; N489-D492 VanDerWaalsContact O-N 3.09Å; N489-D492 VanDerWaalsContact O-O 3.14Å; N489-D492 PolarHBondContact OD1-N 2.9Å; D492-K494 PolarHBondContact O-N 3.04Å; D492-K494 WeakPolarHBondContact OD1-CB 3.39Å; D492-K494 PolarHBondContact OD1-N 2.86Å; D492-K494 VanDerWaalsContact OD1-N 3.1Å; D492-L495 HydrophobicContact CB-CB 4.22Å; D492-L495 PolarHBondContact O-N 2.87Å; D492-L495 VanDerWaalsContact O-N 3.11Å; D492-R535 HydrophobicContact CB-CB 4.25Å; D492-R535 IonicContact OD2-CZ 3.21Å; D492-R535 IonicContact OD2-NE 3.49Å; D492-R535 PolarHBondContact OD2-NE 3.32Å; D492-R535 IonicContact OD2-NH2 3.53Å; D492-R535 PolarHBondContact OD2-NH2 2.86Å
493	P	94.8	Very high	97.2	Very high	38 Å²	38	24.2 Å²	24.2	25%	0.247	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-8.3	-172.7	30.3	-37.7	0	0	0	114	Y448	Y448-P493 HydrophobicContact CD1-CB 3.73Å; Y448-P493 HydrophobicContact CD1-CG 4.27Å; Y448-P493 HydrophobicContact CD2-CB 4.34Å; Y448-P493 HydrophobicContact CG-CB 3.64Å; Y448-P493 HydrophobicContact CG-CG 4.22Å
494	K	95.3	Very high	97.2	Very high	110 Å²	110	26.3 Å²	26.3	48%	0.478	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-20.9	179.7	-62.1	-177.6	171.9	-153.1	0	113.2	D492 S509 T510 N511	D492-K494 PolarHBondContact O-N 3.04Å; D492-K494 WeakPolarHBondContact OD1-CB 3.39Å; D492-K494 PolarHBondContact OD1-N 2.86Å; D492-K494 VanDerWaalsContact OD1-N 3.1Å; K494-S509 CarbonylContact O-C 3.56Å; K494-S509 VanDerWaalsContact O-CA 3.27Å; K494-S509 WeakPolarHBondContact O-CA 3.33Å; K494-T510 PolarHBondContact O-N 2.67Å; K494-N511 WeakPolarHBondContact CD-ND2 3.28Å; K494-N511 WeakPolarHBondContact CG-ND2 3.26Å
495	L	97.3	Very high	97.2	Very high	25 Å²	25	24.4 Å²	24.4	13%	0.131	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.3	-171.8	-160.9	76.8	0	0	0	111.2	N489 D492 L507 W508 F530 L552	N489-L495 HydrophobicContact CB-CB 3.91Å; N489-L495 VanDerWaalsContact CB-O 3.27Å; N489-L495 WeakPolarHBondContact CB-O 3.41Å; N489-L495 PolarHBondContact N-O 2.78Å; D492-L495 HydrophobicContact CB-CB 4.22Å; D492-L495 PolarHBondContact O-N 2.87Å; D492-L495 VanDerWaalsContact O-N 3.11Å; L495-L507 HydrophobicContact CD1-CB 4.43Å; L495-W508 WeakPolarHBondContact CA-O 3.16Å; L495-F530 HydrophobicContact CD2-CE1 3.8Å; L495-F530 HydrophobicContact CD2-CZ 3.83Å; L495-F530 HydrophobicContact CG-CZ 4.17Å; L495-L552 HydrophobicContact CD2-CD1 4.1Å
496	L	97.9	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	163.3	165.4	64.3	148.3	0	0	0	110.2	A454 V462 L464 Y476 V486 D487 F488 L507 W508 T510	A454-L496 HydrophobicContact CB-CD1 4.29Å; V462-L496 HydrophobicContact CG1-CD1 4.06Å; L464-L496 HydrophobicContact CD1-CD2 4.4Å; L464-L496 HydrophobicContact CD2-CD1 3.84Å; L464-L496 HydrophobicContact CD2-CD2 4.35Å; Y476-L496 HydrophobicContact CE2-CD2 4.49Å; V486-L496 HydrophobicContact CG2-CD1 3.79Å; D487-L496 CarbonylContact O-C 3.59Å; D487-L496 WeakPolarHBondContact O-CA 3.19Å; D487-L496 VanDerWaalsContact O-CB 3.27Å; D487-L496 WeakPolarHBondContact O-CB 3.35Å; F488-L496 HydrophobicContact CD1-CB 3.87Å; F488-L496 HydrophobicContact CE1-CB 4.15Å; F488-L496 HydrophobicContact CE1-CD2 4.07Å; F488-L496 HydrophobicContact CG-CB 4.39Å; L496-L507 CarbonylContact O-C 2.95Å; L496-L507 WeakPolarHBondContact O-CA 3.28Å; L496-W508 HydrophobicContact CD2-CB 3.92Å; L496-W508 HydrophobicContact CG-CB 3.93Å; L496-W508 HydrophobicContact CG-CG 4.36Å; L496-W508 PolarHBondContact N-O 3.26Å; L496-W508 PolarHBondContact O-N 3.11Å; L496-T510 HydrophobicContact CD2-CG2 4.07Å
497	A	98.4	Very high	97.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153.6	179.1	0	0	0	0	0	110.9	V486 D487 K506 L507 V528 F530 L538	V486-A497 CarbonylContact C-O 3.51Å; V486-A497 VanDerWaalsContact CA-O 3.31Å; V486-A497 WeakPolarHBondContact CA-O 3.41Å; D487-A497 PolarHBondContact N-O 2.98Å; D487-A497 PolarHBondContact O-N 3.35Å; A497-K506 CarbonylContact C-O 3.58Å; A497-K506 VanDerWaalsContact CA-O 3.25Å; A497-K506 WeakPolarHBondContact CA-O 3.33Å; A497-L507 HydrophobicContact CB-CD2 3.74Å; A497-V528 HydrophobicContact CB-CG2 4.42Å; A497-F530 HydrophobicContact CB-CD2 4.49Å; A497-F530 HydrophobicContact CB-CE2 3.51Å; A497-F530 HydrophobicContact CB-CZ 3.78Å; A497-L538 HydrophobicContact CB-CD1 3.52Å
498	S	98.6	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.1	175	61.2	0	0	0	0	112.4	H479 S485 V505 K506 W508	H479-S498 PolarHBondContact NE2-OG 2.92Å; S485-S498 CarbonylContact O-C 3.57Å; S485-S498 WeakPolarHBondContact O-CA 3.27Å; S498-V505 CarbonylContact O-C 3.53Å; S498-V505 VanDerWaalsContact O-CA 3.25Å; S498-V505 WeakPolarHBondContact O-CA 3.45Å; S498-K506 PolarHBondContact N-O 2.79Å; S498-K506 PolarHBondContact O-N 2.92Å; S498-W508 PolarHBondContact OG-NE1 2.94Å
499	G	98.4	Very high	97.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.8	177.7	0	0	0	0	0	112.7	C483 W484 S485 V525	C483-G499 CarbonylContact C-O 3.56Å; C483-G499 WeakPolarHBondContact CA-O 3.27Å; C483-G499 PolarHBondContact SG-O 2.91Å; W484-G499 PolarHBondContact N-O 2.91Å; S485-G499 PolarHBondContact O-N 2.88Å; G499-V525 CarbonylContact C-O 3.58Å
500	S	98.4	Very high	97.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	163.1	-171.4	168.9	0	0	0	0	114.6	H479 K481 R482 D502 A503 K504 V525	H479-S500 VanDerWaalsContact ND1-CB 3.3Å; H479-S500 WeakPolarHBondContact ND1-CB 3.46Å; K481-S500 PolarHBondContact O-OG 3.4Å; R482-S500 WeakPolarHBondContact O-CA 3.46Å; R482-S500 WeakPolarHBondContact O-CB 3.34Å; R482-S500 PolarHBondContact O-OG 2.88Å; S500-D502 VanDerWaalsContact CB-OD1 3.24Å; S500-D502 WeakPolarHBondContact CB-OD1 3.5Å; S500-D502 PolarHBondContact O-N 2.91Å; S500-D502 PolarHBondContact OG-N 2.84Å; S500-D502 VanDerWaalsContact OG-N 3.12Å; S500-D502 PolarHBondContact OG-OD1 3.23Å; S500-A503 PolarHBondContact O-N 2.85Å; S500-A503 VanDerWaalsContact O-N 3.14Å; S500-K504 PolarHBondContact N-O 2.89Å; S500-V525 PolarHBondContact O-N 2.91Å
501	D	98.1	Very high	97.2	Very high	28 Å²	28	27.7 Å²	27.7	15%	0.15	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.5	166.4	-78.8	-32.5	0	0	0	113.6	K481 R482 W484 A503 N524	K481-D501 HydrophobicContact CB-CB 3.83Å; K481-D501 HydrophobicContact CD-CB 4.03Å; K481-D501 WeakPolarHBondContact CD-O 3.35Å; K481-D501 PolarHBondContact NZ-O 3.06Å; R482-D501 PolarHBondContact O-N 3.15Å; W484-D501 PolarHBondContact NE1-OD1 3.15Å; W484-D501 PolarHBondContact NE1-OD2 3.15Å; D501-A503 PolarHBondContact O-N 2.86Å; D501-N524 PolarHBondContact OD1-ND2 2.92Å
502	D	97.5	Very high	97.2	Very high	14 Å²	14	26.7 Å²	26.7	8%	0.075	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	1.7	169.2	72	6.5	0	0	0	114.2	H479 E480 K481 S500 K504	H479-D502 VanDerWaalsContact CA-OD2 3.27Å; H479-D502 WeakPolarHBondContact CA-OD2 3.33Å; H479-D502 IonicContact CE1-OD1 3.94Å; H479-D502 IonicContact CE1-OD2 2.67Å; H479-D502 IonicContact CG-OD2 4Å; H479-D502 IonicContact ND1-OD1 3.65Å; H479-D502 PolarHBondContact ND1-OD1 2.84Å; H479-D502 IonicContact ND1-OD2 2.66Å; H479-D502 PolarHBondContact ND1-OD2 2.96Å; E480-D502 HydrophobicContact CB-CB 4.13Å; E480-D502 PolarHBondContact N-OD2 2.76Å; E480-D502 VanDerWaalsContact N-OD2 3.17Å; K481-D502 HydrophobicContact CB-CB 4.46Å; K481-D502 HydrophobicContact CG-CB 4.35Å; S500-D502 VanDerWaalsContact CB-OD1 3.24Å; S500-D502 WeakPolarHBondContact CB-OD1 3.5Å; S500-D502 PolarHBondContact O-N 2.91Å; S500-D502 PolarHBondContact OG-N 2.84Å; S500-D502 VanDerWaalsContact OG-N 3.12Å; S500-D502 PolarHBondContact OG-OD1 3.23Å; D502-K504 VanDerWaalsContact C-N 3.27Å; D502-K504 PolarHBondContact O-N 2.91Å; D502-K504 VanDerWaalsContact OD1-CB 3.31Å; D502-K504 WeakPolarHBondContact OD1-CB 3.41Å; D502-K504 PolarHBondContact OD1-N 2.98Å
503	A	97.4	Very high	97.2	Very high	21 Å²	21	30.5 Å²	30.5	17%	0.174	16%	0.162	C	C	.	.	S	Bend	trans	64.3	21.9	-177.6	0	0	0	0	0	114.8	S500 D501 A521 A523	S500-A503 PolarHBondContact O-N 2.85Å; S500-A503 VanDerWaalsContact O-N 3.14Å; D501-A503 PolarHBondContact O-N 2.86Å; A503-A521 WeakPolarHBondContact O-CB 3.39Å; A503-A521 PolarHBondContact O-N 3.15Å; A503-A523 WeakPolarHBondContact CB-O 3.36Å
504	K	97.7	Very high	97.3	Very high	45 Å²	45	34.1 Å²	34.1	20%	0.196	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.9	176	-60.3	166.3	-173.2	175.2	0	110.8	H479 E480 S500 D502 I519	H479-K504 PolarHBondContact CE1-O 2.82Å; E480-K504 IonicContact OE1-NZ 3.45Å; E480-K504 PolarHBondContact OE1-NZ 3.14Å; S500-K504 PolarHBondContact N-O 2.89Å; D502-K504 VanDerWaalsContact C-N 3.27Å; D502-K504 PolarHBondContact O-N 2.91Å; D502-K504 VanDerWaalsContact OD1-CB 3.31Å; D502-K504 WeakPolarHBondContact OD1-CB 3.41Å; D502-K504 PolarHBondContact OD1-N 2.98Å; K504-I519 WeakPolarHBondContact CA-O 3.43Å
505	V	98.3	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.6	158.1	-179.5	0	0	0	0	107.9	S498 S518 I519 V525 V528 L538 F540	S498-V505 CarbonylContact O-C 3.53Å; S498-V505 VanDerWaalsContact O-CA 3.25Å; S498-V505 WeakPolarHBondContact O-CA 3.45Å; V505-S518 CarbonylContact O-C 3.49Å; V505-S518 WeakPolarHBondContact O-CA 3.39Å; V505-I519 HydrophobicContact CB-CB 4.23Å; V505-I519 PolarHBondContact N-O 2.93Å; V505-I519 PolarHBondContact O-N 3.28Å; V505-V525 HydrophobicContact CG2-CB 4.43Å; V505-V525 HydrophobicContact CG2-CG1 4.01Å; V505-V525 HydrophobicContact CG2-CG2 3.91Å; V505-V528 HydrophobicContact CG1-CG1 4.07Å; V505-V528 HydrophobicContact CG2-CG1 4.13Å; V505-L538 HydrophobicContact CG1-CD1 4.48Å; V505-L538 HydrophobicContact CG1-CD2 4.41Å; V505-F540 HydrophobicContact CG2-CB 4.39Å; V505-F540 HydrophobicContact CG2-CD1 3.79Å; V505-F540 HydrophobicContact CG2-CD2 4.38Å; V505-F540 HydrophobicContact CG2-CE1 4Å; V505-F540 HydrophobicContact CG2-CG 3.99Å; V505-F540 HydrophobicContact CG2-CZ 4.39Å
506	K	98.3	Very high	97.3	Very high	18 Å²	18	33.1 Å²	33.1	8%	0.078	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	140.3	175.9	-74.1	178.9	174.9	-79.4	0	110.5	E478 A497 S498 W508	E478-K506 HydrophobicContact CB-CD 4.01Å; E478-K506 VanDerWaalsContact O-CE 3.24Å; E478-K506 WeakPolarHBondContact O-CE 3.48Å; E478-K506 IonicContact OE2-NZ 2.65Å; E478-K506 PolarHBondContact OE2-NZ 3.36Å; A497-K506 CarbonylContact C-O 3.58Å; A497-K506 VanDerWaalsContact CA-O 3.25Å; A497-K506 WeakPolarHBondContact CA-O 3.33Å; S498-K506 PolarHBondContact N-O 2.79Å; S498-K506 PolarHBondContact O-N 2.92Å; K506-W508 HydrophobicContact CB-CH2 4.36Å; K506-W508 HydrophobicContact CB-CZ2 3.62Å; K506-W508 HydrophobicContact CD-CH2 3.63Å; K506-W508 HydrophobicContact CD-CZ2 3.53Å; K506-W508 HydrophobicContact CG-CZ2 4.21Å
507	L	98.1	Very high	97.2	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.3	169.3	-57	-175.1	0	0	0	109.3	L495 L496 A497 S515 V516 A517 F530 L538 L552	L495-L507 HydrophobicContact CD1-CB 4.43Å; L496-L507 CarbonylContact O-C 2.95Å; L496-L507 WeakPolarHBondContact O-CA 3.28Å; A497-L507 HydrophobicContact CB-CD2 3.74Å; L507-S515 CarbonylContact O-C 3.25Å; L507-S515 VanDerWaalsContact O-CA 3.26Å; L507-S515 WeakPolarHBondContact O-CA 3.32Å; L507-S515 VanDerWaalsContact O-CB 3.3Å; L507-S515 WeakPolarHBondContact O-CB 3.37Å; L507-V516 PolarHBondContact O-N 3.42Å; L507-A517 HydrophobicContact CD1-CB 4.14Å; L507-A517 HydrophobicContact CG-CB 4.47Å; L507-A517 PolarHBondContact N-O 2.83Å; L507-F530 HydrophobicContact CD2-CZ 4.45Å; L507-L538 HydrophobicContact CD2-CD1 4.19Å; L507-L552 HydrophobicContact CD1-CB 4.36Å; L507-L552 HydrophobicContact CD1-CD1 3.96Å; L507-L552 HydrophobicContact CD1-CD2 4.1Å; L507-L552 HydrophobicContact CD1-CG 4.35Å; L507-L552 HydrophobicContact CD2-CD1 4.17Å; L507-L552 HydrophobicContact CD2-CD2 4.3Å
508	W	98.1	Very high	97.1	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147.6	-179.8	-41.5	88.6	0	0	0	110.7	Y476 E478 L495 L496 S498 K506	Y476-W508 HydrophobicContact CD1-CD2 4.14Å; Y476-W508 AromaticContact CD1-CE3 3.46Å; Y476-W508 HydrophobicContact CD1-CE3 3.46Å; Y476-W508 VanDerWaalsContact CD1-CE3 3.46Å; Y476-W508 AromaticContact CD1-CZ3 3.86Å; Y476-W508 HydrophobicContact CD1-CZ3 3.86Å; Y476-W508 HydrophobicContact CD2-CB 4.37Å; Y476-W508 HydrophobicContact CD2-CD2 4.1Å; Y476-W508 HydrophobicContact CD2-CE3 4.24Å; Y476-W508 HydrophobicContact CD2-CG 4.17Å; Y476-W508 HydrophobicContact CE1-CB 4.4Å; Y476-W508 HydrophobicContact CE1-CE3 4.05Å; Y476-W508 HydrophobicContact CE2-CB 3.99Å; Y476-W508 HydrophobicContact CE2-CG 4.28Å; Y476-W508 AromaticContact CG-CD2 3.87Å; Y476-W508 HydrophobicContact CG-CD2 3.87Å; Y476-W508 AromaticContact CG-CE3 3.57Å; Y476-W508 HydrophobicContact CG-CE3 3.57Å; Y476-W508 HydrophobicContact CG-CG 4.39Å; Y476-W508 HydrophobicContact CG-CH2 4.46Å; Y476-W508 AromaticContact CG-CZ3 3.91Å; Y476-W508 HydrophobicContact CG-CZ3 3.91Å; E478-W508 HydrophobicContact CB-CH2 3.82Å; E478-W508 HydrophobicContact CB-CZ3 4.37Å; E478-W508 HydrophobicContact CG-CH2 3.81Å; E478-W508 HydrophobicContact CG-CZ3 3.86Å; L495-W508 WeakPolarHBondContact CA-O 3.16Å; L496-W508 HydrophobicContact CD2-CB 3.92Å; L496-W508 HydrophobicContact CG-CB 3.93Å; L496-W508 HydrophobicContact CG-CG 4.36Å; L496-W508 PolarHBondContact N-O 3.26Å; L496-W508 PolarHBondContact O-N 3.11Å; S498-W508 PolarHBondContact OG-NE1 2.94Å; K506-W508 HydrophobicContact CB-CH2 4.36Å; K506-W508 HydrophobicContact CB-CZ2 3.62Å; K506-W508 HydrophobicContact CD-CH2 3.63Å; K506-W508 HydrophobicContact CD-CZ2 3.53Å; K506-W508 HydrophobicContact CG-CZ2 4.21Å
509	S	97.2	Very high	97.1	Very high	20 Å²	20	37 Å²	37	14%	0.14	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.1	169.1	173.1	0	0	0	0	109	Y476 K494 N511 L512	Y476-S509 PolarHBondContact OH-O 2.77Å; K494-S509 CarbonylContact O-C 3.56Å; K494-S509 VanDerWaalsContact O-CA 3.27Å; K494-S509 WeakPolarHBondContact O-CA 3.33Å; S509-N511 PolarHBondContact O-N 3.41Å; S509-N511 PolarHBondContact OG-N 2.83Å; S509-L512 PolarHBondContact O-N 2.91Å; S509-L512 VanDerWaalsContact O-O 3.07Å
510	T	96.3	Very high	96.9	Very high	30 Å²	30	44.1 Å²	44.1	18%	0.184	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-16.9	175.9	57.2	0	0	0	0	113.8	L452 L464 K474 F488 K494 L496	L452-T510 HydrophobicContact CD2-CG2 4.34Å; L464-T510 HydrophobicContact CD1-CG2 3.85Å; K474-T510 WeakPolarHBondContact CE-O 3.05Å; F488-T510 HydrophobicContact CE1-CG2 4.24Å; K494-T510 PolarHBondContact O-N 2.67Å; L496-T510 HydrophobicContact CD2-CG2 4.07Å
511	N	95	Very high	96.8	Very high	90 Å²	90	45 Å²	45	48%	0.481	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-7.6	-177.2	-51.9	-108	0	0	0	112.5	K494 S509	K494-N511 WeakPolarHBondContact CD-ND2 3.28Å; K494-N511 WeakPolarHBondContact CG-ND2 3.26Å; S509-N511 PolarHBondContact O-N 3.41Å; S509-N511 PolarHBondContact OG-N 2.83Å
512	L	95.8	Very high	96.5	Very high	90 Å²	90	52.6 Å²	52.6	47%	0.471	29%	0.286	S	S	.	.			trans	-120.1	162.5	-179.1	-57.7	178.8	0	0	0	109.9	Y476 S509 V516	Y476-L512 WeakPolarHBondContact CE1-O 3.36Å; Y476-L512 PolarHBondContact OH-O 3.21Å; S509-L512 PolarHBondContact O-N 2.91Å; S509-L512 VanDerWaalsContact O-O 3.07Å; L512-V516 HydrophobicContact CD1-CG2 4.19Å
513	D	95.1	Very high	96.4	Very high	103 Å²	103	53 Å²	53	55%	0.551	29%	0.291	S	S	*	.	S	Bend	trans	-99	-18.1	178.6	-64.4	-76.4	0	0	0	113.2	K474 Y476	K474-D513 WeakPolarHBondContact CD-OD1 3.28Å; K474-D513 IonicContact NZ-OD1 3.89Å; K474-D513 PolarHBondContact NZ-OD1 3.36Å; K474-D513 IonicContact NZ-OD2 3.21Å; K474-D513 PolarHBondContact NZ-OD2 3.19Å; K474-D513 VanDerWaalsContact NZ-OD2 3.09Å; Y476-D513 WeakPolarHBondContact CD1-O 3.4Å
514	N	95.6	Very high	96.5	Very high	114 Å²	114	54.9 Å²	54.9	61%	0.61	30%	0.298	S	S	*	.	S	Bend	trans	-112.8	164.3	179.7	-59.1	-14.8	0	0	0	111.2	E478	E478-N514 WeakPolarHBondContact OE1-CA 3.45Å; E478-N514 WeakPolarHBondContact OE1-CB 3.25Å
515	S	97.2	Very high	96.5	Very high	32 Å²	32	52.7 Å²	52.7	22%	0.224	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	141.9	174.8	64.5	0	0	0	0	112.2	E478 L507	E478-S515 PolarHBondContact OE1-N 2.85Å; E478-S515 WeakPolarHBondContact OE2-CB 3.31Å; E478-S515 PolarHBondContact OE2-OG 2.97Å; L507-S515 CarbonylContact O-C 3.25Å; L507-S515 VanDerWaalsContact O-CA 3.26Å; L507-S515 WeakPolarHBondContact O-CA 3.32Å; L507-S515 VanDerWaalsContact O-CB 3.3Å; L507-S515 WeakPolarHBondContact O-CB 3.37Å
516	V	96.9	Very high	96.5	Very high	81 Å²	81	53.3 Å²	53.3	49%	0.491	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-35.9	178.7	-177	0	0	0	0	110.7	L507 L512	L507-V516 PolarHBondContact O-N 3.42Å; L512-V516 HydrophobicContact CD1-CG2 4.19Å
517	A	95.6	Very high	96.4	Very high	33 Å²	33	52.7 Å²	52.7	27%	0.273	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	161	176.2	0	0	0	0	0	110.4	L507	L507-A517 HydrophobicContact CD1-CB 4.14Å; L507-A517 HydrophobicContact CG-CB 4.47Å; L507-A517 PolarHBondContact N-O 2.83Å
518	S	96.3	Very high	96.4	Very high	46 Å²	46	52.3 Å²	52.3	32%	0.322	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.3	170.6	-167.9	0	0	0	0	109.1	V505	V505-S518 CarbonylContact O-C 3.49Å; V505-S518 WeakPolarHBondContact O-CA 3.39Å
519	I	97.3	Very high	96.4	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.015	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.2	170.1	-45	-179	0	0	0	106.9	K504 V505 Y550 L552 T555	K504-I519 WeakPolarHBondContact CA-O 3.43Å; V505-I519 HydrophobicContact CB-CB 4.23Å; V505-I519 PolarHBondContact N-O 2.93Å; V505-I519 PolarHBondContact O-N 3.28Å; I519-Y550 HydrophobicContact CD1-CD1 4.29Å; I519-Y550 HydrophobicContact CD1-CG 4.29Å; I519-Y550 HydrophobicContact CG2-CD1 4.22Å; I519-Y550 HydrophobicContact CG2-CE1 3.72Å; I519-Y550 HydrophobicContact CG2-CE2 4.25Å; I519-L552 HydrophobicContact CD1-CD2 3.93Å; I519-T555 HydrophobicContact CD1-CG2 3.93Å; I519-T555 HydrophobicContact CG1-CG2 3.77Å
520	E	95.8	Very high	96.5	Very high	150 Å²	150	53 Å²	53	70%	0.701	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	119.4	177.8	-61.4	-172	151.1	0	0	109.8
521	A	94.9	Very high	96.4	Very high	19 Å²	19	51.6 Å²	51.6	16%	0.157	28%	0.28	C	S	.	.			trans	-91.8	163.7	174.9	0	0	0	0	0	110.7	A503 A523 V525 F540	A503-A521 WeakPolarHBondContact O-CB 3.39Å; A503-A521 PolarHBondContact O-N 3.15Å; A521-A523 VanDerWaalsContact C-N 3.29Å; A521-A523 PolarHBondContact O-N 2.73Å; A521-V525 HydrophobicContact CB-CG2 3.69Å; A521-F540 HydrophobicContact CB-CE2 3.75Å; A521-F540 HydrophobicContact CB-CZ 3.97Å
522	K	91.9	Very high	96.3	Very high	186 Å²	186	49.7 Å²	49.7	81%	0.809	27%	0.273	S	S	*	.	S	Bend	trans	-78	-14.7	-179	-64.2	-175.2	178.2	-176.2	0	114
523	A	96.9	Very high	96.2	Very high	23 Å²	23	49.6 Å²	49.6	19%	0.19	28%	0.276	C	S	.	.	S	Bend	trans	-159.2	178.7	178	0	0	0	0	0	109.3	A503 A521 A543 D544	A503-A523 WeakPolarHBondContact CB-O 3.36Å; A521-A523 VanDerWaalsContact C-N 3.29Å; A521-A523 PolarHBondContact O-N 2.73Å; A523-A543 HydrophobicContact CB-CB 3.91Å; A523-D544 HydrophobicContact CB-CB 4.38Å
524	N	97.6	Very high	96.2	Very high	60 Å²	60	45.7 Å²	45.7	32%	0.321	26%	0.257	S	S	.	.			trans	-47.8	137	179.3	-53.1	34.2	0	0	0	112.2	D501 A543	D501-N524 PolarHBondContact OD1-ND2 2.92Å; N524-A543 HydrophobicContact CB-CB 4.01Å; N524-A543 WeakPolarHBondContact O-CB 3.49Å; N524-A543 PolarHBondContact O-N 2.94Å
525	V	98.3	Very high	96.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117	177.6	-176.2	0	0	0	0	109.5	G499 S500 V505 A521 V528 F540	G499-V525 CarbonylContact C-O 3.58Å; S500-V525 PolarHBondContact O-N 2.91Å; V505-V525 HydrophobicContact CG2-CB 4.43Å; V505-V525 HydrophobicContact CG2-CG1 4.01Å; V505-V525 HydrophobicContact CG2-CG2 3.91Å; A521-V525 HydrophobicContact CB-CG2 3.69Å; V525-V528 HydrophobicContact CG1-CG1 3.93Å; V525-F540 HydrophobicContact CG1-CB 3.94Å; V525-F540 HydrophobicContact CG1-CD2 3.95Å; V525-F540 HydrophobicContact CG1-CG 4.23Å; V525-F540 HydrophobicContact CG2-CD2 4.14Å; V525-F540 HydrophobicContact CG2-CE2 4.21Å
526	C	97.8	Very high	96.1	Very high	13 Å²	13	47.9 Å²	47.9	9%	0.088	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-26.5	-174.9	-60.5	0	0	0	0	112.9	W484 G541 V569 F612	W484-C526 VanDerWaalsContact CB-O 3.27Å; W484-C526 WeakPolarHBondContact CB-O 3.45Å; C526-G541 PolarHBondContact N-O 3.29Å; C526-V569 VanDerWaalsContact CB-O 3.27Å; C526-V569 WeakPolarHBondContact CB-O 3.1Å; C526-F612 HydrophobicContact CB-CE1 4.09Å; C526-F612 HydrophobicContact CB-CZ 4.14Å
527	C	97.7	Very high	96.1	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.027	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	146.3	-179.4	55.6	0	0	0	0	112.3	F540 G541 Y571 A572	C527-F540 CarbonylContact O-C 3.54Å; C527-F540 WeakPolarHBondContact O-CA 3.42Å; C527-F540 VanDerWaalsContact O-CB 3.22Å; C527-F540 WeakPolarHBondContact O-CB 3.5Å; C527-G541 PolarHBondContact O-N 2.9Å; C527-G541 WeakPolarHBondContact SG-CA 3.33Å; C527-G541 PolarHBondContact SG-N 2.87Å; C527-Y571 WeakPolarHBondContact SG-CA 3.35Å; C527-A572 PolarHBondContact SG-N 3.43Å
528	V	98.2	Very high	96.2	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.3	171.9	-60.7	0	0	0	0	109.9	S485 D487 A497 V505 V525 F540	S485-V528 PolarHBondContact OG-N 3.12Å; S485-V528 PolarHBondContact OG-O 3.25Å; D487-V528 HydrophobicContact CB-CG2 4.31Å; A497-V528 HydrophobicContact CB-CG2 4.42Å; V505-V528 HydrophobicContact CG1-CG1 4.07Å; V505-V528 HydrophobicContact CG2-CG1 4.13Å; V525-V528 HydrophobicContact CG1-CG1 3.93Å; V528-F540 HydrophobicContact CG1-CB 3.96Å
529	K	97.9	Very high	96.3	Very high	33 Å²	33	42.4 Å²	42.4	14%	0.143	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	137.6	170.7	-85.8	-73.6	142.3	-177.9	0	111.1	E395 D487 A539 A572 K573 F574	E395-K529 IonicContact OE1-NZ 3.3Å; D487-K529 WeakPolarHBondContact OD1-CE 3.45Å; D487-K529 IonicContact OD1-NZ 2.67Å; D487-K529 PolarHBondContact OD1-NZ 2.68Å; D487-K529 WeakPolarHBondContact OD2-CA 3.33Å; D487-K529 WeakPolarHBondContact OD2-CD 3.39Å; D487-K529 IonicContact OD2-NZ 3.9Å; K529-A539 PolarHBondContact N-O 3.15Å; K529-A539 PolarHBondContact O-N 2.79Å; K529-A572 VanDerWaalsContact CG-O 3.28Å; K529-A572 WeakPolarHBondContact CG-O 3.38Å; K529-K573 HydrophobicContact CG-CG 4.2Å; K529-F574 HydrophobicContact CB-CD2 4.28Å; K529-F574 HydrophobicContact CB-CE2 4.41Å
530	F	97.8	Very high	96.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	153.1	167.1	-78.7	-87.1	0	0	0	112	D487 F488 N489 L495 A497 L507 L538 L552 F574	D487-F530 HydrophobicContact CB-CD2 4.32Å; D487-F530 WeakPolarHBondContact O-CE2 3.27Å; D487-F530 PolarHBondContact OD2-N 2.94Å; F488-F530 WeakPolarHBondContact O-CD2 3.37Å; N489-F530 HydrophobicContact CB-CD1 3.77Å; N489-F530 HydrophobicContact CB-CD2 3.98Å; N489-F530 HydrophobicContact CB-CE1 3.73Å; N489-F530 HydrophobicContact CB-CE2 3.94Å; N489-F530 HydrophobicContact CB-CG 3.9Å; N489-F530 HydrophobicContact CB-CZ 3.82Å; N489-F530 VanDerWaalsContact CG-CD1 3.5Å; N489-F530 WeakPolarHBondContact ND2-CE1 3.32Å; L495-F530 HydrophobicContact CD2-CE1 3.8Å; L495-F530 HydrophobicContact CD2-CZ 3.83Å; L495-F530 HydrophobicContact CG-CZ 4.17Å; A497-F530 HydrophobicContact CB-CD2 4.49Å; A497-F530 HydrophobicContact CB-CE2 3.51Å; A497-F530 HydrophobicContact CB-CZ 3.78Å; L507-F530 HydrophobicContact CD2-CZ 4.45Å; F530-L538 HydrophobicContact CE1-CD1 4.19Å; F530-L538 HydrophobicContact CE2-CD1 4.31Å; F530-L538 HydrophobicContact CZ-CD1 4.08Å; F530-L552 HydrophobicContact CD1-CD1 4.5Å; F530-L552 HydrophobicContact CE1-CD1 3.63Å; F530-L552 HydrophobicContact CZ-CD1 4.37Å; F530-F574 WeakPolarHBondContact O-CD2 3.21Å; F530-F574 WeakPolarHBondContact O-CE2 3.46Å
531	S	95.8	Very high	96.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.			trans	-71.5	135.2	169.7	178.5	0	0	0	0	110.8	T533 H537	S531-T533 PolarHBondContact O-N 2.85Å; S531-T533 PolarHBondContact OG-N 3.02Å; S531-T533 PolarHBondContact OG-OG1 3.03Å; S531-H537 WeakPolarHBondContact CB-O 3.27Å; S531-H537 PolarHBondContact N-O 2.84Å
532	P	92.8	Very high	96.5	Very high	50 Å²	50	34.2 Å²	34.2	33%	0.325	17%	0.169	S	C	.	.	S	Bend	trans	-70.4	-12.5	177	29.4	-35.6	0	0	0	113.7	L490 F574	L490-P532 HydrophobicContact CD1-CB 3.87Å; P532-F574 HydrophobicContact CG-CB 4.07Å
533	T	93.7	Very high	96.7	Very high	89 Å²	89	26.7 Å²	26.7	55%	0.546	14%	0.142	S	C	.	.	S	Bend	trans	-110.9	-10.6	-177.1	55.2	0	0	0	0	114.2	S531 G577	S531-T533 PolarHBondContact O-N 2.85Å; S531-T533 PolarHBondContact OG-N 3.02Å; S531-T533 PolarHBondContact OG-OG1 3.03Å; T533-G577 WeakPolarHBondContact OG1-CA 3.4Å
534	S	94.7	Very high	96.7	Very high	21 Å²	21	27.8 Å²	27.8	15%	0.147	15%	0.145	C	C	.	.			trans	-146.7	119.1	-175.9	175.1	0	0	0	0	112.4	Y536 H537	S534-Y536 PolarHBondContact O-N 2.83Å; S534-Y536 PolarHBondContact OG-N 2.95Å; S534-H537 VanDerWaalsContact CB-ND1 3.33Å; S534-H537 WeakPolarHBondContact CB-ND1 3.46Å; S534-H537 PolarHBondContact O-N 2.9Å; S534-H537 VanDerWaalsContact O-N 3.16Å; S534-H537 PolarHBondContact OG-ND1 3.49Å
535	R	95.6	Very high	96.6	Very high	103 Å²	103	28.7 Å²	28.7	39%	0.389	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-13.4	173.6	72.6	-174.1	-72.7	-149.3	4.1	114.4	N489 M491 D492	N489-R535 PolarHBondContact ND2-O 2.8Å; N489-R535 WeakPolarHBondContact OD1-CA 3.15Å; M491-R535 HydrophobicContact CB-CB 3.75Å; D492-R535 HydrophobicContact CB-CB 4.25Å; D492-R535 IonicContact OD2-CZ 3.21Å; D492-R535 IonicContact OD2-NE 3.49Å; D492-R535 PolarHBondContact OD2-NE 3.32Å; D492-R535 IonicContact OD2-NH2 3.53Å; D492-R535 PolarHBondContact OD2-NH2 2.86Å
536	Y	95.9	Very high	96.5	Very high	89 Å²	89	29.4 Å²	29.4	35%	0.349	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-3.3	-177.5	-56.8	-67.3	0	0	0	113.5	S534 D551 L552 R553	S534-Y536 PolarHBondContact O-N 2.83Å; S534-Y536 PolarHBondContact OG-N 2.95Å; Y536-D551 CarbonylContact O-C 3.54Å; Y536-D551 WeakPolarHBondContact O-CA 3.21Å; Y536-L552 WeakPolarHBondContact O-CG 3.46Å; Y536-L552 PolarHBondContact O-N 2.78Å; Y536-R553 HydrophobicContact CD1-CG 3.67Å; Y536-R553 HydrophobicContact CE1-CG 4.2Å; Y536-R553 HydrophobicContact CG-CG 4.01Å
537	H	96.6	Very high	96.5	Very high	43 Å²	43	28.8 Å²	28.8	20%	0.199	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.5	-176.8	-63.4	163.1	0	0	0	111.3	S531 S534 Y549 Y550	S531-H537 WeakPolarHBondContact CB-O 3.27Å; S531-H537 PolarHBondContact N-O 2.84Å; S534-H537 VanDerWaalsContact CB-ND1 3.33Å; S534-H537 WeakPolarHBondContact CB-ND1 3.46Å; S534-H537 PolarHBondContact O-N 2.9Å; S534-H537 VanDerWaalsContact O-N 3.16Å; S534-H537 PolarHBondContact OG-ND1 3.49Å; H537-Y549 HydrophobicContact CB-CE2 3.88Å; H537-Y549 WeakPolarHBondContact CB-OH 3.31Å; H537-Y549 AromaticContact CG-CZ 3.98Å; H537-Y549 VanDerWaalsContact CG-OH 3.27Å; H537-Y549 PolarHBondContact ND1-OH 2.85Å; H537-Y550 WeakPolarHBondContact CA-O 3.3Å
538	L	96.9	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.6	-179.5	-177.5	149.5	0	0	0	110	A497 V505 L507 F530 F540 Y549 Y550 L552	A497-L538 HydrophobicContact CB-CD1 3.52Å; V505-L538 HydrophobicContact CG1-CD1 4.48Å; V505-L538 HydrophobicContact CG1-CD2 4.41Å; L507-L538 HydrophobicContact CD2-CD1 4.19Å; F530-L538 HydrophobicContact CE1-CD1 4.19Å; F530-L538 HydrophobicContact CE2-CD1 4.31Å; F530-L538 HydrophobicContact CZ-CD1 4.08Å; L538-F540 HydrophobicContact CD2-CB 4.24Å; L538-F540 HydrophobicContact CD2-CD1 3.84Å; L538-Y549 WeakPolarHBondContact O-CA 3.2Å; L538-Y549 WeakPolarHBondContact O-CD2 3.18Å; L538-Y550 PolarHBondContact N-O 3.31Å; L538-Y550 VanDerWaalsContact N-O 3.15Å; L538-Y550 PolarHBondContact O-N 3Å; L538-L552 HydrophobicContact CB-CD1 4.45Å; L538-L552 HydrophobicContact CB-CD2 3.94Å; L538-L552 HydrophobicContact CB-CG 4.38Å; L538-L552 HydrophobicContact CD1-CD2 4.42Å
539	A	97.6	Very high	96.4	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142	170.4	0	0	0	0	0	110.3	K529 V547 H548 Y549 F574 I580	K529-A539 PolarHBondContact N-O 3.15Å; K529-A539 PolarHBondContact O-N 2.79Å; A539-V547 HydrophobicContact CB-CG1 4.39Å; A539-H548 CarbonylContact C-O 3.59Å; A539-H548 WeakPolarHBondContact CA-O 3.22Å; A539-Y549 HydrophobicContact CB-CD2 4.23Å; A539-F574 HydrophobicContact CB-CE2 3.71Å; A539-F574 HydrophobicContact CB-CZ 3.72Å; A539-I580 HydrophobicContact CB-CD1 4.03Å
540	F	97.8	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.8	171.8	68.7	-103.3	0	0	0	112.8	V505 A521 V525 C527 V528 L538 C542 V547 H548 Y550	V505-F540 HydrophobicContact CG2-CB 4.39Å; V505-F540 HydrophobicContact CG2-CD1 3.79Å; V505-F540 HydrophobicContact CG2-CD2 4.38Å; V505-F540 HydrophobicContact CG2-CE1 4Å; V505-F540 HydrophobicContact CG2-CG 3.99Å; V505-F540 HydrophobicContact CG2-CZ 4.39Å; A521-F540 HydrophobicContact CB-CE2 3.75Å; A521-F540 HydrophobicContact CB-CZ 3.97Å; V525-F540 HydrophobicContact CG1-CB 3.94Å; V525-F540 HydrophobicContact CG1-CD2 3.95Å; V525-F540 HydrophobicContact CG1-CG 4.23Å; V525-F540 HydrophobicContact CG2-CD2 4.14Å; V525-F540 HydrophobicContact CG2-CE2 4.21Å; C527-F540 CarbonylContact O-C 3.54Å; C527-F540 WeakPolarHBondContact O-CA 3.42Å; C527-F540 VanDerWaalsContact O-CB 3.22Å; C527-F540 WeakPolarHBondContact O-CB 3.5Å; V528-F540 HydrophobicContact CG1-CB 3.96Å; L538-F540 HydrophobicContact CD2-CB 4.24Å; L538-F540 HydrophobicContact CD2-CD1 3.84Å; F540-C542 HydrophobicContact CD2-CB 4.38Å; F540-C542 HydrophobicContact CE2-CB 4.33Å; F540-V547 WeakPolarHBondContact O-CA 3.43Å; F540-H548 HydrophobicContact CD1-CB 4.21Å; F540-H548 HydrophobicContact CD2-CB 4.07Å; F540-H548 HydrophobicContact CE1-CB 3.87Å; F540-H548 HydrophobicContact CE2-CB 3.7Å; F540-H548 AromaticContact CE2-CD2 3.69Å; F540-H548 AromaticContact CE2-CG 3.76Å; F540-H548 HydrophobicContact CG-CB 4.32Å; F540-H548 HydrophobicContact CZ-CB 3.6Å; F540-H548 AromaticContact CZ-CG 3.92Å; F540-H548 PolarHBondContact N-O 2.9Å; F540-H548 PolarHBondContact O-N 2.97Å; F540-Y550 HydrophobicContact CD1-CD2 4.22Å; F540-Y550 AromaticContact CE1-CD2 3.47Å; F540-Y550 HydrophobicContact CE1-CD2 3.47Å; F540-Y550 VanDerWaalsContact CE1-CD2 3.47Å; F540-Y550 AromaticContact CE1-CE2 3.41Å; F540-Y550 HydrophobicContact CE1-CE2 3.41Å; F540-Y550 VanDerWaalsContact CE1-CE2 3.41Å; F540-Y550 HydrophobicContact CZ-CD2 4.22Å; F540-Y550 AromaticContact CZ-CE2 3.7Å; F540-Y550 HydrophobicContact CZ-CE2 3.7Å
541	G	97.6	Very high	96.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129.3	174.3	0	0	0	0	0	110.6	C526 C527	C526-G541 PolarHBondContact N-O 3.29Å; C527-G541 PolarHBondContact O-N 2.9Å; C527-G541 WeakPolarHBondContact SG-CA 3.33Å; C527-G541 PolarHBondContact SG-N 2.87Å
542	C	96.8	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	154.3	-171.3	-175.1	0	0	0	0	111.5	F540 D544 H545 C546 V569	F540-C542 HydrophobicContact CD2-CB 4.38Å; F540-C542 HydrophobicContact CE2-CB 4.33Å; C542-D544 VanDerWaalsContact CB-OD1 3.23Å; C542-D544 WeakPolarHBondContact CB-OD1 3.3Å; C542-D544 PolarHBondContact O-N 2.85Å; C542-D544 PolarHBondContact SG-N 3.3Å; C542-D544 PolarHBondContact SG-OD1 2.97Å; C542-D544 VanDerWaalsContact SG-OD1 3.39Å; C542-H545 PolarHBondContact O-N 3.04Å; C542-C546 PolarHBondContact N-O 3.07Å; C542-C546 VanDerWaalsContact N-O 3.13Å; C542-V569 PolarHBondContact O-N 3.02Å; C542-V569 VanDerWaalsContact O-N 3.14Å
543	A	96.9	Very high	96.3	Very high	29 Å²	29	36.4 Å²	36.4	24%	0.24	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15	171.3	0	0	0	0	0	113.2	A523 N524 H545 A568	A523-A543 HydrophobicContact CB-CB 3.91Å; N524-A543 HydrophobicContact CB-CB 4.01Å; N524-A543 WeakPolarHBondContact O-CB 3.49Å; N524-A543 PolarHBondContact O-N 2.94Å; A543-H545 PolarHBondContact O-CE1 2.9Å; A543-H545 PolarHBondContact O-N 2.91Å; A543-H545 VanDerWaalsContact O-N 3.11Å; A543-H545 PolarHBondContact O-ND1 3.37Å; A543-A568 HydrophobicContact CB-CB 4.33Å
544	D	96.3	Very high	96.3	Very high	46 Å²	46	35.7 Å²	35.7	25%	0.246	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	12.5	172.2	74.8	5.3	0	0	0	114.9	A523 C542 C546 H548	A523-D544 HydrophobicContact CB-CB 4.38Å; C542-D544 VanDerWaalsContact CB-OD1 3.23Å; C542-D544 WeakPolarHBondContact CB-OD1 3.3Å; C542-D544 PolarHBondContact O-N 2.85Å; C542-D544 PolarHBondContact SG-N 3.3Å; C542-D544 PolarHBondContact SG-OD1 2.97Å; C542-D544 VanDerWaalsContact SG-OD1 3.39Å; D544-C546 PolarHBondContact O-N 2.85Å; D544-C546 PolarHBondContact O-SG 2.84Å; D544-C546 VanDerWaalsContact OD1-CB 3.27Å; D544-C546 WeakPolarHBondContact OD1-CB 3.45Å; D544-C546 PolarHBondContact OD1-N 3.42Å; D544-C546 VanDerWaalsContact OD1-N 3.11Å; D544-H548 VanDerWaalsContact CG-NE2 3.35Å; D544-H548 IonicContact OD1-CD2 2.72Å; D544-H548 IonicContact OD1-NE2 2.64Å; D544-H548 PolarHBondContact OD1-NE2 3.01Å; D544-H548 IonicContact OD2-CE1 2.7Å; D544-H548 PolarHBondContact OD2-CE1 2.91Å; D544-H548 VanDerWaalsContact OD2-CE1 3.24Å; D544-H548 IonicContact OD2-NE2 3.92Å; D544-H548 PolarHBondContact OD2-NE2 3.21Å
545	H	96.8	Very high	96.1	Very high	78 Å²	78	36.9 Å²	36.9	36%	0.361	17%	0.172	S	C	.	.	S	Bend	trans	68.8	13.8	175.9	-43.8	3.3	0	0	0	113.8	C542 A543 R566 K567 A568	C542-H545 PolarHBondContact O-N 3.04Å; A543-H545 PolarHBondContact O-CE1 2.9Å; A543-H545 PolarHBondContact O-N 2.91Å; A543-H545 VanDerWaalsContact O-N 3.11Å; A543-H545 PolarHBondContact O-ND1 3.37Å; H545-R566 VanDerWaalsContact CD2-C 3.43Å; H545-R566 PolarHBondContact CD2-O 2.79Å; H545-K567 WeakPolarHBondContact CA-O 3.46Å; H545-K567 VanDerWaalsContact CB-O 3.3Å; H545-K567 WeakPolarHBondContact CB-O 3.39Å; H545-K567 VanDerWaalsContact CG-C 3.42Å; H545-K567 VanDerWaalsContact ND1-C 3.32Å; H545-A568 PolarHBondContact ND1-N 2.75Å
546	C	96.4	Very high	95.9	Very high	15 Å²	15	41.1 Å²	41.1	10%	0.101	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	156.3	177.3	-52.3	0	0	0	0	112	C542 D544 V561 F562	C542-C546 PolarHBondContact N-O 3.07Å; C542-C546 VanDerWaalsContact N-O 3.13Å; D544-C546 PolarHBondContact O-N 2.85Å; D544-C546 PolarHBondContact O-SG 2.84Å; D544-C546 VanDerWaalsContact OD1-CB 3.27Å; D544-C546 WeakPolarHBondContact OD1-CB 3.45Å; D544-C546 PolarHBondContact OD1-N 3.42Å; D544-C546 VanDerWaalsContact OD1-N 3.11Å; C546-V561 HydrophobicContact CB-CG1 3.67Å; C546-F562 VanDerWaalsContact CA-O 3.29Å; C546-F562 WeakPolarHBondContact CA-O 3.26Å; C546-F562 WeakPolarHBondContact CB-O 3.25Å
547	V	97.5	Very high	95.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.3	158.1	178.5	0	0	0	0	107.6	A539 F540 F562 V569 A572	A539-V547 HydrophobicContact CB-CG1 4.39Å; F540-V547 WeakPolarHBondContact O-CA 3.43Å; V547-F562 HydrophobicContact CB-CB 4.18Å; V547-F562 HydrophobicContact CB-CD2 4Å; V547-F562 HydrophobicContact CG1-CD2 4.04Å; V547-F562 PolarHBondContact N-O 2.77Å; V547-F562 VanDerWaalsContact N-O 3.17Å; V547-F562 WeakPolarHBondContact O-CD2 3.34Å; V547-F562 PolarHBondContact O-N 3.32Å; V547-V569 HydrophobicContact CG2-CG1 3.87Å; V547-V569 HydrophobicContact CG2-CG2 4.34Å; V547-A572 HydrophobicContact CG1-CB 4.39Å; V547-A572 HydrophobicContact CG2-CB 4.39Å
548	H	97	Very high	95.6	Very high	9 Å²	9	42.8 Å²	42.8	4%	0.042	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.6	175.9	-61	-103.3	0	0	0	109.4	A539 F540 D544 Y550	A539-H548 CarbonylContact C-O 3.59Å; A539-H548 WeakPolarHBondContact CA-O 3.22Å; F540-H548 HydrophobicContact CD1-CB 4.21Å; F540-H548 HydrophobicContact CD2-CB 4.07Å; F540-H548 HydrophobicContact CE1-CB 3.87Å; F540-H548 HydrophobicContact CE2-CB 3.7Å; F540-H548 AromaticContact CE2-CD2 3.69Å; F540-H548 AromaticContact CE2-CG 3.76Å; F540-H548 HydrophobicContact CG-CB 4.32Å; F540-H548 HydrophobicContact CZ-CB 3.6Å; F540-H548 AromaticContact CZ-CG 3.92Å; F540-H548 PolarHBondContact N-O 2.9Å; F540-H548 PolarHBondContact O-N 2.97Å; D544-H548 VanDerWaalsContact CG-NE2 3.35Å; D544-H548 IonicContact OD1-CD2 2.72Å; D544-H548 IonicContact OD1-NE2 2.64Å; D544-H548 PolarHBondContact OD1-NE2 3.01Å; D544-H548 IonicContact OD2-CE1 2.7Å; D544-H548 PolarHBondContact OD2-CE1 2.91Å; D544-H548 VanDerWaalsContact OD2-CE1 3.24Å; D544-H548 IonicContact OD2-NE2 3.92Å; D544-H548 PolarHBondContact OD2-NE2 3.21Å; H548-Y550 HydrophobicContact CB-CD2 4.21Å; H548-Y550 HydrophobicContact CB-CE2 3.94Å
549	Y	97.2	Very high	95.5	Very high	6 Å²	6	46.7 Å²	46.7	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.3	-179.1	178.1	-113	0	0	0	110	H537 L538 A539 P558 I559 M560 F574 I580 V594	H537-Y549 HydrophobicContact CB-CE2 3.88Å; H537-Y549 WeakPolarHBondContact CB-OH 3.31Å; H537-Y549 AromaticContact CG-CZ 3.98Å; H537-Y549 VanDerWaalsContact CG-OH 3.27Å; H537-Y549 PolarHBondContact ND1-OH 2.85Å; L538-Y549 WeakPolarHBondContact O-CA 3.2Å; L538-Y549 WeakPolarHBondContact O-CD2 3.18Å; A539-Y549 HydrophobicContact CB-CD2 4.23Å; Y549-P558 CarbonylContact O-C 3.54Å; Y549-I559 HydrophobicContact CD1-CB 3.99Å; Y549-I559 HydrophobicContact CD1-CD1 3.8Å; Y549-I559 HydrophobicContact CD1-CG1 4.42Å; Y549-I559 HydrophobicContact CD1-CG2 4.48Å; Y549-I559 HydrophobicContact CE1-CB 4.43Å; Y549-I559 HydrophobicContact CE1-CD1 3.56Å; Y549-I559 PolarHBondContact O-N 2.82Å; Y549-M560 HydrophobicContact CD1-CB 4.45Å; Y549-M560 PolarHBondContact N-O 3.13Å; Y549-M560 PolarHBondContact O-N 3.17Å; Y549-F574 HydrophobicContact CD2-CZ 4.24Å; Y549-F574 HydrophobicContact CE2-CE1 4.13Å; Y549-F574 AromaticContact CE2-CZ 3.87Å; Y549-F574 HydrophobicContact CE2-CZ 3.87Å; Y549-I580 HydrophobicContact CD2-CD1 4.18Å; Y549-V594 HydrophobicContact CD1-CG1 4.17Å; Y549-V594 HydrophobicContact CE1-CB 4.48Å; Y549-V594 HydrophobicContact CE1-CG1 3.38Å; Y549-V594 HydrophobicContact CE1-CG2 4.38Å; Y549-V594 HydrophobicContact CE2-CG2 4.44Å
550	Y	96.7	Very high	95.4	Very high	17 Å²	17	48.7 Å²	48.7	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.5	-166.2	-89	-95.3	0	0	0	112.7	I519 H537 L538 F540 H548 T555 Q557 P558	I519-Y550 HydrophobicContact CD1-CD1 4.29Å; I519-Y550 HydrophobicContact CD1-CG 4.29Å; I519-Y550 HydrophobicContact CG2-CD1 4.22Å; I519-Y550 HydrophobicContact CG2-CE1 3.72Å; I519-Y550 HydrophobicContact CG2-CE2 4.25Å; H537-Y550 WeakPolarHBondContact CA-O 3.3Å; L538-Y550 PolarHBondContact N-O 3.31Å; L538-Y550 VanDerWaalsContact N-O 3.15Å; L538-Y550 PolarHBondContact O-N 3Å; F540-Y550 HydrophobicContact CD1-CD2 4.22Å; F540-Y550 AromaticContact CE1-CD2 3.47Å; F540-Y550 HydrophobicContact CE1-CD2 3.47Å; F540-Y550 VanDerWaalsContact CE1-CD2 3.47Å; F540-Y550 AromaticContact CE1-CE2 3.41Å; F540-Y550 HydrophobicContact CE1-CE2 3.41Å; F540-Y550 VanDerWaalsContact CE1-CE2 3.41Å; F540-Y550 HydrophobicContact CZ-CD2 4.22Å; F540-Y550 AromaticContact CZ-CE2 3.7Å; F540-Y550 HydrophobicContact CZ-CE2 3.7Å; H548-Y550 HydrophobicContact CB-CD2 4.21Å; H548-Y550 HydrophobicContact CB-CE2 3.94Å; Y550-T555 WeakPolarHBondContact CE1-O 3.44Å; Y550-Q557 VanDerWaalsContact CE1-C 3.41Å; Y550-Q557 WeakPolarHBondContact CE1-O 3.4Å; Y550-P558 HydrophobicContact CD2-CB 4.06Å; Y550-P558 HydrophobicContact CE1-CB 4.32Å; Y550-P558 HydrophobicContact CE2-CB 3.69Å; Y550-P558 HydrophobicContact CE2-CG 4.49Å
551	D	96.1	Very high	95.3	Very high	26 Å²	26	51 Å²	51	14%	0.139	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.5	160	-169.6	-22.9	0	0	0	108.4	Y536 R553 N554 I559	Y536-D551 CarbonylContact O-C 3.54Å; Y536-D551 WeakPolarHBondContact O-CA 3.21Å; D551-R553 PolarHBondContact O-N 3.42Å; D551-R553 VanDerWaalsContact O-N 3.14Å; D551-R553 WeakPolarHBondContact OD1-CB 3.44Å; D551-R553 VanDerWaalsContact OD1-CG 3.24Å; D551-R553 WeakPolarHBondContact OD1-CG 3.48Å; D551-R553 IonicContact OD1-CZ 2.91Å; D551-R553 PolarHBondContact OD1-N 3.35Å; D551-R553 IonicContact OD1-NE 3.67Å; D551-R553 PolarHBondContact OD1-NE 3.31Å; D551-R553 IonicContact OD1-NH2 2.65Å; D551-R553 IonicContact OD2-CZ 2.76Å; D551-R553 IonicContact OD2-NE 2.74Å; D551-R553 PolarHBondContact OD2-NE 2.91Å; D551-R553 IonicContact OD2-NH2 3.64Å; D551-R553 PolarHBondContact OD2-NH2 3.37Å; D551-N554 CarbonylContact O-C 3.55Å; D551-N554 VanDerWaalsContact O-C 3.25Å; D551-N554 PolarHBondContact O-N 3.43Å; D551-I559 HydrophobicContact CB-CD1 3.94Å; D551-I559 HydrophobicContact CB-CG1 4.12Å
552	L	94.7	Very high	95.2	Very high	28 Å²	28	51 Å²	51	15%	0.147	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-12.4	179.5	-55.5	-176	0	0	0	112.7	L495 L507 I519 F530 Y536 L538	L495-L552 HydrophobicContact CD2-CD1 4.1Å; L507-L552 HydrophobicContact CD1-CB 4.36Å; L507-L552 HydrophobicContact CD1-CD1 3.96Å; L507-L552 HydrophobicContact CD1-CD2 4.1Å; L507-L552 HydrophobicContact CD1-CG 4.35Å; L507-L552 HydrophobicContact CD2-CD1 4.17Å; L507-L552 HydrophobicContact CD2-CD2 4.3Å; I519-L552 HydrophobicContact CD1-CD2 3.93Å; F530-L552 HydrophobicContact CD1-CD1 4.5Å; F530-L552 HydrophobicContact CE1-CD1 3.63Å; F530-L552 HydrophobicContact CZ-CD1 4.37Å; Y536-L552 WeakPolarHBondContact O-CG 3.46Å; Y536-L552 PolarHBondContact O-N 2.78Å; L538-L552 HydrophobicContact CB-CD1 4.45Å; L538-L552 HydrophobicContact CB-CD2 3.94Å; L538-L552 HydrophobicContact CB-CG 4.38Å; L538-L552 HydrophobicContact CD1-CD2 4.42Å
553	R	94.4	Very high	95.1	Very high	165 Å²	165	58.2 Å²	58.2	62%	0.623	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-17.9	171	-55.3	173.2	-65	178	2.3	113	Y536 D551	Y536-R553 HydrophobicContact CD1-CG 3.67Å; Y536-R553 HydrophobicContact CE1-CG 4.2Å; Y536-R553 HydrophobicContact CG-CG 4.01Å; D551-R553 PolarHBondContact O-N 3.42Å; D551-R553 VanDerWaalsContact O-N 3.14Å; D551-R553 WeakPolarHBondContact OD1-CB 3.44Å; D551-R553 VanDerWaalsContact OD1-CG 3.24Å; D551-R553 WeakPolarHBondContact OD1-CG 3.48Å; D551-R553 IonicContact OD1-CZ 2.91Å; D551-R553 PolarHBondContact OD1-N 3.35Å; D551-R553 IonicContact OD1-NE 3.67Å; D551-R553 PolarHBondContact OD1-NE 3.31Å; D551-R553 IonicContact OD1-NH2 2.65Å; D551-R553 IonicContact OD2-CZ 2.76Å; D551-R553 IonicContact OD2-NE 2.74Å; D551-R553 PolarHBondContact OD2-NE 2.91Å; D551-R553 IonicContact OD2-NH2 3.64Å; D551-R553 PolarHBondContact OD2-NH2 3.37Å
554	N	93.1	Very high	95	Very high	73 Å²	73	58.8 Å²	58.8	39%	0.39	29%	0.292	S	S	.	.			trans	-145.2	78.5	176.2	-176.8	16.4	0	0	0	111.4	D551 K556	D551-N554 CarbonylContact O-C 3.55Å; D551-N554 VanDerWaalsContact O-C 3.25Å; D551-N554 PolarHBondContact O-N 3.43Å; N554-K556 PolarHBondContact O-N 3.38Å; N554-K556 VanDerWaalsContact O-N 3.11Å
555	T	91.4	Very high	95	Very high	47 Å²	47	57.3 Å²	57.3	29%	0.288	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-3	-178.6	55.1	0	0	0	0	115	I519 Y550 Q557	I519-T555 HydrophobicContact CD1-CG2 3.93Å; I519-T555 HydrophobicContact CG1-CG2 3.77Å; Y550-T555 WeakPolarHBondContact CE1-O 3.44Å; T555-Q557 VanDerWaalsContact C-N 3.32Å; T555-Q557 PolarHBondContact O-N 2.9Å
556	K	89.9	Confident	95	Very high	192 Å²	192	60.4 Å²	60.4	84%	0.835	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-24.1	-177.5	-65.7	-174.2	177.1	-177.4	0	114.1	N554	N554-K556 PolarHBondContact O-N 3.38Å; N554-K556 VanDerWaalsContact O-N 3.11Å
557	Q	91.6	Very high	95	Very high	126 Å²	126	63.1 Å²	63.1	59%	0.589	30%	0.302	S	S	*	.	S	Bend	trans	-148.7	144.6	179.3	67.3	-173.4	26	0	0	110.6	Y550 T555	Y550-Q557 VanDerWaalsContact CE1-C 3.41Å; Y550-Q557 WeakPolarHBondContact CE1-O 3.4Å; T555-Q557 VanDerWaalsContact C-N 3.32Å; T555-Q557 PolarHBondContact O-N 2.9Å
558	P	94.7	Very high	94.9	Very high	41 Å²	41	64.4 Å²	64.4	27%	0.266	31%	0.313	S	S	.	.			trans	-65.3	149.8	169.7	28	-32.6	0	0	0	110	Y549 Y550 V561	Y549-P558 CarbonylContact O-C 3.54Å; Y550-P558 HydrophobicContact CD2-CB 4.06Å; Y550-P558 HydrophobicContact CE1-CB 4.32Å; Y550-P558 HydrophobicContact CE2-CB 3.69Å; Y550-P558 HydrophobicContact CE2-CG 4.49Å; P558-V561 HydrophobicContact CB-CG2 3.84Å; P558-V561 HydrophobicContact CG-CG2 3.41Å; P558-V561 VanDerWaalsContact CG-CG2 3.41Å
559	I	94.8	Very high	94.9	Very high	81 Å²	81	64 Å²	64	42%	0.415	31%	0.311	S	S	.	.	S	Bend	trans	-67.8	-47	165.6	-48.4	166.8	0	0	0	108.4	Y549 D551	Y549-I559 HydrophobicContact CD1-CB 3.99Å; Y549-I559 HydrophobicContact CD1-CD1 3.8Å; Y549-I559 HydrophobicContact CD1-CG1 4.42Å; Y549-I559 HydrophobicContact CD1-CG2 4.48Å; Y549-I559 HydrophobicContact CE1-CB 4.43Å; Y549-I559 HydrophobicContact CE1-CD1 3.56Å; Y549-I559 PolarHBondContact O-N 2.82Å; D551-I559 HydrophobicContact CB-CD1 3.94Å; D551-I559 HydrophobicContact CB-CG1 4.12Å
560	M	95	Very high	94.9	Very high	43 Å²	43	63.9 Å²	63.9	21%	0.212	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.3	-177.7	-66.1	-65.2	-81.5	0	0	111.3	Y549 F562 P597	Y549-M560 HydrophobicContact CD1-CB 4.45Å; Y549-M560 PolarHBondContact N-O 3.13Å; Y549-M560 PolarHBondContact O-N 3.17Å; M560-F562 HydrophobicContact CB-CE1 4.11Å; M560-F562 HydrophobicContact CB-CE2 4.02Å; M560-F562 HydrophobicContact CB-CZ 3.68Å; M560-F562 HydrophobicContact CE-CE1 4.22Å; M560-F562 HydrophobicContact CG-CZ 4.24Å; M560-P597 VanDerWaalsContact CE-CA 3.48Å; M560-P597 HydrophobicContact CE-CB 3.83Å
561	V	95.8	Very high	95	Very high	48 Å²	48	65 Å²	65	29%	0.291	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	103.5	170.9	-176.5	0	0	0	0	108.1	C546 P558 K563	C546-V561 HydrophobicContact CB-CG1 3.67Å; P558-V561 HydrophobicContact CB-CG2 3.84Å; P558-V561 HydrophobicContact CG-CG2 3.41Å; P558-V561 VanDerWaalsContact CG-CG2 3.41Å; V561-K563 PolarHBondContact O-N 3.46Å
562	F	96.4	Very high	95	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	114.7	-176.9	-58.2	-71	0	0	0	110.1	C546 V547 M560 I580 W592 N593 K596	C546-F562 VanDerWaalsContact CA-O 3.29Å; C546-F562 WeakPolarHBondContact CA-O 3.26Å; C546-F562 WeakPolarHBondContact CB-O 3.25Å; V547-F562 HydrophobicContact CB-CB 4.18Å; V547-F562 HydrophobicContact CB-CD2 4Å; V547-F562 HydrophobicContact CG1-CD2 4.04Å; V547-F562 PolarHBondContact N-O 2.77Å; V547-F562 VanDerWaalsContact N-O 3.17Å; V547-F562 WeakPolarHBondContact O-CD2 3.34Å; V547-F562 PolarHBondContact O-N 3.32Å; M560-F562 HydrophobicContact CB-CE1 4.11Å; M560-F562 HydrophobicContact CB-CE2 4.02Å; M560-F562 HydrophobicContact CB-CZ 3.68Å; M560-F562 HydrophobicContact CE-CE1 4.22Å; M560-F562 HydrophobicContact CG-CZ 4.24Å; F562-I580 HydrophobicContact CE2-CD1 4.01Å; F562-W592 HydrophobicContact CB-CD2 3.72Å; F562-W592 HydrophobicContact CB-CE3 3.62Å; F562-W592 HydrophobicContact CB-CG 4.28Å; F562-W592 HydrophobicContact CB-CH2 4.19Å; F562-W592 HydrophobicContact CB-CZ2 4.29Å; F562-W592 HydrophobicContact CB-CZ3 3.85Å; F562-W592 HydrophobicContact CD1-CB 3.99Å; F562-W592 HydrophobicContact CD1-CD2 4.19Å; F562-W592 AromaticContact CD1-CE3 3.9Å; F562-W592 HydrophobicContact CD1-CE3 3.9Å; F562-W592 HydrophobicContact CD1-CG 4.25Å; F562-W592 HydrophobicContact CE1-CB 4.18Å; F562-W592 HydrophobicContact CG-CB 4.26Å; F562-W592 HydrophobicContact CG-CD2 4.06Å; F562-W592 HydrophobicContact CG-CE3 4.06Å; F562-W592 HydrophobicContact CG-CG 4.16Å; F562-N593 WeakPolarHBondContact CE1-O 3.15Å; F562-K596 WeakPolarHBondContact CE1-O 3.48Å
563	K	95.1	Very high	95.1	Very high	153 Å²	153	64 Å²	64	67%	0.665	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.9	-177.8	-65	-175.9	177	-178.6	0	110.9	V561 W592	V561-K563 PolarHBondContact O-N 3.46Å; K563-W592 WeakPolarHBondContact O-CH2 3.13Å; K563-W592 WeakPolarHBondContact O-CZ3 3.32Å
564	G	93.3	Very high	95.2	Very high	41 Å²	41	57 Å²	57	42%	0.423	28%	0.283	S	S	.	.			trans	153.2	-4.4	170.6	0	0	0	0	0	117.2	K590	G564-K590 WeakPolarHBondContact O-CE 3.4Å; G564-K590 PolarHBondContact O-NZ 2.83Å
565	H	96.6	Very high	95.2	Very high	14 Å²	14	54.4 Å²	54.4	7%	0.065	27%	0.269	C	S	.	.			trans	-79.2	157.9	163.3	-75.7	-72.6	0	0	0	110.9	V569 S582 S584 D586 Q588 K590	H565-V569 HydrophobicContact CB-CG2 4.41Å; H565-S582 PolarHBondContact NE2-OG 2.91Å; H565-S584 WeakPolarHBondContact ND1-CB 3.26Å; H565-D586 WeakPolarHBondContact CA-OD2 3.41Å; H565-D586 IonicContact CE1-OD1 3.56Å; H565-D586 IonicContact CG-OD2 2.7Å; H565-D586 IonicContact ND1-OD1 2.79Å; H565-D586 PolarHBondContact ND1-OD1 2.97Å; H565-D586 IonicContact ND1-OD2 2.69Å; H565-D586 PolarHBondContact ND1-OD2 2.66Å; H565-Q588 PolarHBondContact CE1-O 3.45Å; H565-K590 WeakPolarHBondContact ND1-CE 3.4Å
566	R	96.4	Very high	95.1	Very high	144 Å²	144	54.7 Å²	54.7	54%	0.543	27%	0.269	S	S	.	.	S	Bend	trans	-107.3	-3.2	-178.6	-54	-177.7	-48.2	-57.2	1.4	114	H545 D586 Q588	H545-R566 VanDerWaalsContact CD2-C 3.43Å; H545-R566 PolarHBondContact CD2-O 2.79Å; R566-D586 HydrophobicContact CB-CB 4.04Å; R566-D586 IonicContact CZ-OD2 3.92Å; R566-D586 PolarHBondContact N-OD2 3.2Å; R566-D586 VanDerWaalsContact NH1-CG 3.26Å; R566-D586 PolarHBondContact NH1-O 3.26Å; R566-D586 IonicContact NH1-OD2 3.89Å; R566-D586 PolarHBondContact NH1-OD2 3.39Å; R566-D586 PolarHBondContact NH2-O 2.89Å; R566-Q588 VanDerWaalsContact NH1-NE2 3.14Å
567	K	97	Very high	95.1	Very high	71 Å²	71	46.4 Å²	46.4	31%	0.309	24%	0.238	S	C	.	.	S	Bend	trans	-141	179.4	171.6	-60.4	-160.7	-156.9	145.9	0	109.3	H545 S584 T585 D586 E609	H545-K567 WeakPolarHBondContact CA-O 3.46Å; H545-K567 VanDerWaalsContact CB-O 3.3Å; H545-K567 WeakPolarHBondContact CB-O 3.39Å; H545-K567 VanDerWaalsContact CG-C 3.42Å; H545-K567 VanDerWaalsContact ND1-C 3.32Å; K567-S584 PolarHBondContact O-OG 2.91Å; K567-T585 WeakPolarHBondContact CB-OG1 3.42Å; K567-T585 WeakPolarHBondContact CD-O 3.31Å; K567-T585 WeakPolarHBondContact CE-O 3.5Å; K567-T585 PolarHBondContact NZ-O 2.9Å; K567-D586 HydrophobicContact CB-CB 4.27Å; K567-D586 HydrophobicContact CG-CB 4.19Å; K567-E609 PolarHBondContact NZ-O 3Å
568	A	95.8	Very high	95.1	Very high	28 Å²	28	45.8 Å²	45.8	23%	0.231	24%	0.235	C	C	.	.			trans	-50.3	143.1	175.9	0	0	0	0	0	112.7	A543 H545 S570 S584 T585	A543-A568 HydrophobicContact CB-CB 4.33Å; H545-A568 PolarHBondContact ND1-N 2.75Å; A568-S570 PolarHBondContact O-N 2.84Å; A568-S584 WeakPolarHBondContact O-CA 3.33Å; A568-S584 WeakPolarHBondContact O-CB 3.38Å; A568-S584 PolarHBondContact O-OG 2.99Å; A568-T585 PolarHBondContact O-N 2.8Å
569	V	97.8	Very high	95.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	105.8	176.5	-177.4	0	0	0	0	108.9	C526 C542 V547 H565 Y571 A583	C526-V569 VanDerWaalsContact CB-O 3.27Å; C526-V569 WeakPolarHBondContact CB-O 3.1Å; C542-V569 PolarHBondContact O-N 3.02Å; C542-V569 VanDerWaalsContact O-N 3.14Å; V547-V569 HydrophobicContact CG2-CG1 3.87Å; V547-V569 HydrophobicContact CG2-CG2 4.34Å; H565-V569 HydrophobicContact CB-CG2 4.41Å; V569-Y571 WeakPolarHBondContact CG1-O 3.49Å; V569-A583 CarbonylContact C-O 3.57Å; V569-A583 WeakPolarHBondContact CA-O 3.32Å; V569-A583 WeakPolarHBondContact CG1-O 3.47Å
570	S	96.9	Very high	95.2	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-35.2	-175	50.6	0	0	0	0	113	A568 A583	A568-S570 PolarHBondContact O-N 2.84Å; S570-A583 PolarHBondContact N-O 2.98Å; S570-A583 PolarHBondContact OG-O 3.12Å
571	Y	97.9	Very high	95.3	Very high	41 Å²	41	39.2 Å²	39.2	16%	0.161	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.9	176.5	-65	-87.9	0	0	0	111.8	C527 V569 S582 A583 F612 G614 L615	C527-Y571 WeakPolarHBondContact SG-CA 3.35Å; V569-Y571 WeakPolarHBondContact CG1-O 3.49Å; Y571-S582 CarbonylContact O-C 3.54Å; Y571-S582 WeakPolarHBondContact O-CA 3.43Å; Y571-S582 WeakPolarHBondContact O-CB 3.22Å; Y571-A583 PolarHBondContact N-O 3.07Å; Y571-A583 PolarHBondContact O-N 3.24Å; Y571-F612 HydrophobicContact CE2-CB 4.05Å; Y571-F612 AromaticContact CE2-CD1 3.82Å; Y571-F612 HydrophobicContact CE2-CD1 3.82Å; Y571-F612 HydrophobicContact CE2-CG 4.4Å; Y571-F612 AromaticContact CZ-CD1 3.98Å; Y571-G614 VanDerWaalsContact CE2-N 3.28Å; Y571-L615 HydrophobicContact CD2-CB 4.3Å; Y571-L615 HydrophobicContact CG-CB 3.9Å
572	A	97.5	Very high	95.4	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	128	165.5	0	0	0	0	0	107.7	C527 K529 V547 I580 V581	C527-A572 PolarHBondContact SG-N 3.43Å; K529-A572 VanDerWaalsContact CG-O 3.28Å; K529-A572 WeakPolarHBondContact CG-O 3.38Å; V547-A572 HydrophobicContact CG1-CB 4.39Å; V547-A572 HydrophobicContact CG2-CB 4.39Å; A572-I580 HydrophobicContact CB-CG2 4.49Å; A572-V581 CarbonylContact C-O 3.47Å; A572-V581 WeakPolarHBondContact CA-O 3.42Å
573	K	96.6	Very high	95.5	Very high	30 Å²	30	36.9 Å²	36.9	13%	0.13	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.9	173.9	-67.5	-141.5	175.8	-179.5	0	109.5	E395 K529 V581 L615	E395-K573 IonicContact OE1-NZ 2.93Å; E395-K573 PolarHBondContact OE1-NZ 3.42Å; E395-K573 IonicContact OE2-NZ 3.44Å; K529-K573 HydrophobicContact CG-CG 4.2Å; K573-V581 PolarHBondContact N-O 3.02Å; K573-V581 PolarHBondContact O-N 3.46Å; K573-V581 VanDerWaalsContact O-O 3.13Å; K573-L615 WeakPolarHBondContact CD-O 3.27Å; K573-L615 WeakPolarHBondContact CE-O 3.32Å
574	F	95.5	Very high	95.6	Very high	20 Å²	20	29.6 Å²	29.6	9%	0.088	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138	172.3	-73.7	-92.9	0	0	0	109.9	K529 F530 P532 A539 Y549 N576 I580 S617	K529-F574 HydrophobicContact CB-CD2 4.28Å; K529-F574 HydrophobicContact CB-CE2 4.41Å; F530-F574 WeakPolarHBondContact O-CD2 3.21Å; F530-F574 WeakPolarHBondContact O-CE2 3.46Å; P532-F574 HydrophobicContact CG-CB 4.07Å; A539-F574 HydrophobicContact CB-CE2 3.71Å; A539-F574 HydrophobicContact CB-CZ 3.72Å; Y549-F574 HydrophobicContact CD2-CZ 4.24Å; Y549-F574 HydrophobicContact CE2-CE1 4.13Å; Y549-F574 AromaticContact CE2-CZ 3.87Å; Y549-F574 HydrophobicContact CE2-CZ 3.87Å; F574-N576 WeakPolarHBondContact CD1-O 3.44Å; F574-I580 HydrophobicContact CD1-CD1 4.44Å; F574-I580 HydrophobicContact CD1-CG1 3.66Å; F574-I580 HydrophobicContact CE1-CD1 3.77Å; F574-I580 HydrophobicContact CE1-CG1 3.49Å; F574-I580 VanDerWaalsContact CE1-CG1 3.49Å; F574-I580 HydrophobicContact CG-CG1 4.36Å; F574-I580 HydrophobicContact CZ-CD1 4.01Å; F574-I580 HydrophobicContact CZ-CG1 4.06Å; F574-S617 PolarHBondContact O-OG 2.99Å
575	V	92.8	Very high	95.7	Very high	17 Å²	17	28.6 Å²	28.6	10%	0.103	14%	0.138	C	C	.	.	S	Bend	trans	-88.7	-35.9	169.8	-176.9	0	0	0	0	109.1	E579 V581 L591 G619 K636	V575-E579 HydrophobicContact CB-CB 4.01Å; V575-E579 PolarHBondContact N-O 2.91Å; V575-V581 HydrophobicContact CG2-CB 3.76Å; V575-V581 HydrophobicContact CG2-CG1 3.61Å; V575-L591 HydrophobicContact CG2-CD1 3.95Å; V575-G619 WeakPolarHBondContact CG1-O 3.15Å; V575-K636 HydrophobicContact CG1-CD 4.09Å
576	N	89.9	Confident	95.7	Very high	54 Å²	54	28 Å²	28	29%	0.289	14%	0.136	S	C	.	.	S	Bend	trans	-160.4	-165.7	171	52.1	62	0	0	0	108.4	F574 E578 E579	F574-N576 WeakPolarHBondContact CD1-O 3.44Å; N576-E578 PolarHBondContact O-N 3.39Å; N576-E578 PolarHBondContact OD1-N 2.93Å; N576-E579 PolarHBondContact N-O 3.28Å; N576-E579 PolarHBondContact ND2-OE2 2.84Å; N576-E579 PolarHBondContact OD1-N 3.18Å
577	G	89	Confident	95.7	Very high	18 Å²	18	22.3 Å²	22.3	19%	0.186	12%	0.118	C	C	.	.	S	Bend	trans	-65.8	-19.5	179.5	0	0	0	0	0	115.8	T533	T533-G577 WeakPolarHBondContact OG1-CA 3.4Å
578	E	91.8	Very high	95.6	Very high	113 Å²	113	20.4 Å²	20.4	53%	0.528	11%	0.11	S	C	.	.	S	Bend	trans	-113.2	-20.1	-176.8	-63.3	-170.2	-164.4	0	0	114.1	N576 N593 V594	N576-E578 PolarHBondContact O-N 3.39Å; N576-E578 PolarHBondContact OD1-N 2.93Å; E578-N593 CarbonylContact O-C 3.56Å; E578-N593 WeakPolarHBondContact O-CA 3.37Å; E578-N593 PolarHBondContact O-ND2 2.67Å; E578-V594 WeakPolarHBondContact O-CG2 3.27Å; E578-V594 PolarHBondContact O-N 2.86Å
579	E	95.1	Very high	95.7	Very high	26 Å²	26	19.1 Å²	19.1	12%	0.121	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.3	-174.6	-66.6	-178.3	122.1	0	0	111.9	V575 N576 L591 W592 K636	V575-E579 HydrophobicContact CB-CB 4.01Å; V575-E579 PolarHBondContact N-O 2.91Å; N576-E579 PolarHBondContact N-O 3.28Å; N576-E579 PolarHBondContact ND2-OE2 2.84Å; N576-E579 PolarHBondContact OD1-N 3.18Å; E579-L591 HydrophobicContact CB-CD1 4.21Å; E579-W592 WeakPolarHBondContact CA-O 3.45Å; E579-K636 VanDerWaalsContact OE2-CE 3.3Å; E579-K636 WeakPolarHBondContact OE2-CE 3.13Å; E579-K636 IonicContact OE2-NZ 3.64Å; E579-K636 PolarHBondContact OE2-NZ 2.87Å
580	I	97	Very high	95.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.8	174	-62.2	166.9	0	0	0	108.1	A539 Y549 F562 A572 F574 L591 W592 V594	A539-I580 HydrophobicContact CB-CD1 4.03Å; Y549-I580 HydrophobicContact CD2-CD1 4.18Å; F562-I580 HydrophobicContact CE2-CD1 4.01Å; A572-I580 HydrophobicContact CB-CG2 4.49Å; F574-I580 HydrophobicContact CD1-CD1 4.44Å; F574-I580 HydrophobicContact CD1-CG1 3.66Å; F574-I580 HydrophobicContact CE1-CD1 3.77Å; F574-I580 HydrophobicContact CE1-CG1 3.49Å; F574-I580 VanDerWaalsContact CE1-CG1 3.49Å; F574-I580 HydrophobicContact CG-CG1 4.36Å; F574-I580 HydrophobicContact CZ-CD1 4.01Å; F574-I580 HydrophobicContact CZ-CG1 4.06Å; I580-L591 WeakPolarHBondContact O-CA 3.29Å; I580-W592 PolarHBondContact N-O 2.89Å; I580-W592 PolarHBondContact O-N 3.44Å; I580-V594 HydrophobicContact CD1-CG2 4.03Å; I580-V594 HydrophobicContact CG1-CG2 4.3Å
581	V	97.8	Very high	95.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.9	166.7	64.4	0	0	0	0	110.4	A572 K573 V575 L589 K590 L591 F603 L615 V622	A572-V581 CarbonylContact C-O 3.47Å; A572-V581 WeakPolarHBondContact CA-O 3.42Å; K573-V581 PolarHBondContact N-O 3.02Å; K573-V581 PolarHBondContact O-N 3.46Å; K573-V581 VanDerWaalsContact O-O 3.13Å; V575-V581 HydrophobicContact CG2-CB 3.76Å; V575-V581 HydrophobicContact CG2-CG1 3.61Å; V581-L589 HydrophobicContact CG2-CB 4.46Å; V581-K590 CarbonylContact C-O 3.59Å; V581-K590 WeakPolarHBondContact CA-O 3.41Å; V581-L591 HydrophobicContact CB-CD1 4.4Å; V581-F603 HydrophobicContact CG2-CE2 4.42Å; V581-L615 HydrophobicContact CG1-CD2 4.27Å; V581-V622 HydrophobicContact CB-CG2 4.49Å; V581-V622 HydrophobicContact CG1-CG1 4.32Å; V581-V622 HydrophobicContact CG1-CG2 4.23Å; V581-V622 HydrophobicContact CG2-CG1 4.02Å; V581-V622 HydrophobicContact CG2-CG2 4.27Å
582	S	97.8	Very high	95.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.7	176.5	61.9	0	0	0	0	112.8	H565 Y571 L589 K590 W592	H565-S582 PolarHBondContact NE2-OG 2.91Å; Y571-S582 CarbonylContact O-C 3.54Å; Y571-S582 WeakPolarHBondContact O-CA 3.43Å; Y571-S582 WeakPolarHBondContact O-CB 3.22Å; S582-L589 CarbonylContact O-C 3.58Å; S582-L589 WeakPolarHBondContact O-CA 3.4Å; S582-K590 PolarHBondContact N-O 3.14Å; S582-K590 PolarHBondContact O-N 3.05Å; S582-W592 PolarHBondContact OG-NE1 3.09Å
583	A	97.9	Very high	95.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.4	170.6	0	0	0	0	0	109.8	V569 S570 Y571 L589 L615	V569-A583 CarbonylContact C-O 3.57Å; V569-A583 WeakPolarHBondContact CA-O 3.32Å; V569-A583 WeakPolarHBondContact CG1-O 3.47Å; S570-A583 PolarHBondContact N-O 2.98Å; S570-A583 PolarHBondContact OG-O 3.12Å; Y571-A583 PolarHBondContact N-O 3.07Å; Y571-A583 PolarHBondContact O-N 3.24Å; A583-L589 HydrophobicContact CB-CD2 3.43Å; A583-L589 VanDerWaalsContact CB-CD2 3.43Å; A583-L615 HydrophobicContact CB-CB 4.35Å; A583-L615 HydrophobicContact CB-CD1 4.46Å; A583-L615 HydrophobicContact CB-CD2 4.03Å
584	S	97.3	Very high	95.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	162.2	174.1	176.1	0	0	0	0	109.8	H565 K567 A568 D586 Q588 N608	H565-S584 WeakPolarHBondContact ND1-CB 3.26Å; K567-S584 PolarHBondContact O-OG 2.91Å; A568-S584 WeakPolarHBondContact O-CA 3.33Å; A568-S584 WeakPolarHBondContact O-CB 3.38Å; A568-S584 PolarHBondContact O-OG 2.99Å; S584-D586 WeakPolarHBondContact CB-OD1 3.42Å; S584-D586 PolarHBondContact O-N 3.27Å; S584-Q588 PolarHBondContact N-O 3.34Å; S584-N608 PolarHBondContact O-ND2 3.4Å
585	T	96	Very high	95.1	Very high	19 Å²	19	22.5 Å²	22.5	12%	0.117	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	22.2	170.4	49.2	0	0	0	0	113	K567 A568 N608 E609	K567-T585 WeakPolarHBondContact CB-OG1 3.42Å; K567-T585 WeakPolarHBondContact CD-O 3.31Å; K567-T585 WeakPolarHBondContact CE-O 3.5Å; K567-T585 PolarHBondContact NZ-O 2.9Å; A568-T585 PolarHBondContact O-N 2.8Å; T585-N608 CarbonylContact C-O 3.55Å; T585-N608 WeakPolarHBondContact CA-O 3.38Å; T585-N608 VanDerWaalsContact O-O 3.06Å; T585-E609 WeakPolarHBondContact O-CA 3.46Å
586	D	96	Very high	94.8	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	19.6	175.5	81.4	-20.1	0	0	0	113.8	H565 R566 K567 S584 Q588	H565-D586 WeakPolarHBondContact CA-OD2 3.41Å; H565-D586 IonicContact CE1-OD1 3.56Å; H565-D586 IonicContact CG-OD2 2.7Å; H565-D586 IonicContact ND1-OD1 2.79Å; H565-D586 PolarHBondContact ND1-OD1 2.97Å; H565-D586 IonicContact ND1-OD2 2.69Å; H565-D586 PolarHBondContact ND1-OD2 2.66Å; R566-D586 HydrophobicContact CB-CB 4.04Å; R566-D586 IonicContact CZ-OD2 3.92Å; R566-D586 PolarHBondContact N-OD2 3.2Å; R566-D586 VanDerWaalsContact NH1-CG 3.26Å; R566-D586 PolarHBondContact NH1-O 3.26Å; R566-D586 IonicContact NH1-OD2 3.89Å; R566-D586 PolarHBondContact NH1-OD2 3.39Å; R566-D586 PolarHBondContact NH2-O 2.89Å; K567-D586 HydrophobicContact CB-CB 4.27Å; K567-D586 HydrophobicContact CG-CB 4.19Å; S584-D586 WeakPolarHBondContact CB-OD1 3.42Å; S584-D586 PolarHBondContact O-N 3.27Å; D586-Q588 VanDerWaalsContact C-N 3.27Å; D586-Q588 PolarHBondContact O-N 2.84Å; D586-Q588 WeakPolarHBondContact OD1-CB 3.5Å; D586-Q588 PolarHBondContact OD1-N 3.46Å
587	S	95.9	Very high	94.4	Very high	24 Å²	24	28.1 Å²	28.1	17%	0.168	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	37.7	-174.1	-63.5	0	0	0	0	114	N608	S587-N608 PolarHBondContact N-O 2.91Å; S587-N608 PolarHBondContact OG-N 2.65Å; S587-N608 PolarHBondContact OG-O 3.21Å
588	Q	96	Very high	94.1	Very high	30 Å²	30	34 Å²	34	14%	0.14	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	143.5	175.6	-59.4	-179.6	14.3	0	0	111.5	H565 R566 S584 D586 F603 K604	H565-Q588 PolarHBondContact CE1-O 3.45Å; R566-Q588 VanDerWaalsContact NH1-NE2 3.14Å; S584-Q588 PolarHBondContact N-O 3.34Å; D586-Q588 VanDerWaalsContact C-N 3.27Å; D586-Q588 PolarHBondContact O-N 2.84Å; D586-Q588 WeakPolarHBondContact OD1-CB 3.5Å; D586-Q588 PolarHBondContact OD1-N 3.46Å; Q588-F603 WeakPolarHBondContact CA-O 3.22Å; Q588-K604 HydrophobicContact CG-CG 4.41Å
589	L	97.7	Very high	94.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	151.9	156.5	-48	-176.7	0	0	0	108.5	V581 S582 A583 S602 F603 L615 V622 C624 Y634	V581-L589 HydrophobicContact CG2-CB 4.46Å; S582-L589 CarbonylContact O-C 3.58Å; S582-L589 WeakPolarHBondContact O-CA 3.4Å; A583-L589 HydrophobicContact CB-CD2 3.43Å; A583-L589 VanDerWaalsContact CB-CD2 3.43Å; L589-S602 CarbonylContact O-C 3.52Å; L589-S602 WeakPolarHBondContact O-CA 3.41Å; L589-F603 HydrophobicContact CB-CB 4.09Å; L589-F603 HydrophobicContact CB-CD2 3.74Å; L589-F603 HydrophobicContact CB-CG 4.32Å; L589-F603 PolarHBondContact N-O 3.24Å; L589-F603 VanDerWaalsContact N-O 3.15Å; L589-F603 PolarHBondContact O-N 2.86Å; L589-L615 HydrophobicContact CD1-CD1 3.95Å; L589-L615 HydrophobicContact CD2-CD1 4.08Å; L589-V622 HydrophobicContact CD1-CG1 3.76Å; L589-C624 HydrophobicContact CD1-CB 4.08Å; L589-C624 HydrophobicContact CD2-CB 4.2Å; L589-Y634 HydrophobicContact CD1-CD2 3.93Å; L589-Y634 HydrophobicContact CD1-CE2 4.01Å
590	K	97.1	Very high	93.9	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.057	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.7	177	-70.1	-179.2	-167	-80.3	0	111.5	G564 H565 V581 S582 W592 R601 S602	G564-K590 WeakPolarHBondContact O-CE 3.4Å; G564-K590 PolarHBondContact O-NZ 2.83Å; H565-K590 WeakPolarHBondContact ND1-CE 3.4Å; V581-K590 CarbonylContact C-O 3.59Å; V581-K590 WeakPolarHBondContact CA-O 3.41Å; S582-K590 PolarHBondContact N-O 3.14Å; S582-K590 PolarHBondContact O-N 3.05Å; K590-W592 HydrophobicContact CB-CH2 4.44Å; K590-W592 HydrophobicContact CB-CZ2 3.59Å; K590-W592 HydrophobicContact CD-CH2 3.85Å; K590-W592 HydrophobicContact CD-CZ2 3.57Å; K590-W592 HydrophobicContact CG-CZ2 4.18Å; K590-W592 PolarHBondContact O-NE1 3.45Å; K590-R601 WeakPolarHBondContact CA-O 3.39Å; K590-S602 PolarHBondContact NZ-OG 3.33Å
591	L	97.1	Very high	93.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133.9	169.6	-167.2	68.6	0	0	0	109.2	V575 E579 I580 V581 C599 L600 R601 F603 K636	V575-L591 HydrophobicContact CG2-CD1 3.95Å; E579-L591 HydrophobicContact CB-CD1 4.21Å; I580-L591 WeakPolarHBondContact O-CA 3.29Å; V581-L591 HydrophobicContact CB-CD1 4.4Å; L591-C599 CarbonylContact O-C 3.51Å; L591-C599 WeakPolarHBondContact O-CA 3.28Å; L591-C599 PolarHBondContact O-SG 3.01Å; L591-L600 HydrophobicContact CB-CB 4.34Å; L591-L600 HydrophobicContact CD2-CB 4.26Å; L591-L600 HydrophobicContact CD2-CD1 3.99Å; L591-L600 HydrophobicContact CG-CB 4.37Å; L591-L600 HydrophobicContact CG-CD1 4.18Å; L591-L600 PolarHBondContact O-N 3.46Å; L591-R601 HydrophobicContact CB-CB 4.34Å; L591-R601 PolarHBondContact N-O 3.09Å; L591-F603 HydrophobicContact CB-CE2 3.85Å; L591-F603 HydrophobicContact CB-CZ 4.14Å; L591-K636 HydrophobicContact CD2-CB 4.3Å
592	W	96.5	Very high	93.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146	178.5	-44.6	91.8	0	0	0	108.9	F562 K563 E579 I580 S582 K590 C599	F562-W592 HydrophobicContact CB-CD2 3.72Å; F562-W592 HydrophobicContact CB-CE3 3.62Å; F562-W592 HydrophobicContact CB-CG 4.28Å; F562-W592 HydrophobicContact CB-CH2 4.19Å; F562-W592 HydrophobicContact CB-CZ2 4.29Å; F562-W592 HydrophobicContact CB-CZ3 3.85Å; F562-W592 HydrophobicContact CD1-CB 3.99Å; F562-W592 HydrophobicContact CD1-CD2 4.19Å; F562-W592 AromaticContact CD1-CE3 3.9Å; F562-W592 HydrophobicContact CD1-CE3 3.9Å; F562-W592 HydrophobicContact CD1-CG 4.25Å; F562-W592 HydrophobicContact CE1-CB 4.18Å; F562-W592 HydrophobicContact CG-CB 4.26Å; F562-W592 HydrophobicContact CG-CD2 4.06Å; F562-W592 HydrophobicContact CG-CE3 4.06Å; F562-W592 HydrophobicContact CG-CG 4.16Å; K563-W592 WeakPolarHBondContact O-CH2 3.13Å; K563-W592 WeakPolarHBondContact O-CZ3 3.32Å; E579-W592 WeakPolarHBondContact CA-O 3.45Å; I580-W592 PolarHBondContact N-O 2.89Å; I580-W592 PolarHBondContact O-N 3.44Å; S582-W592 PolarHBondContact OG-NE1 3.09Å; K590-W592 HydrophobicContact CB-CH2 4.44Å; K590-W592 HydrophobicContact CB-CZ2 3.59Å; K590-W592 HydrophobicContact CD-CH2 3.85Å; K590-W592 HydrophobicContact CD-CZ2 3.57Å; K590-W592 HydrophobicContact CG-CZ2 4.18Å; K590-W592 PolarHBondContact O-NE1 3.45Å; W592-C599 VanDerWaalsContact CE3-CA 3.48Å; W592-C599 HydrophobicContact CE3-CB 3.81Å; W592-C599 HydrophobicContact CH2-CB 4.07Å; W592-C599 HydrophobicContact CZ3-CB 3.57Å
593	N	94.4	Very high	93.4	Very high	19 Å²	19	37.2 Å²	37.2	10%	0.102	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134.6	165.1	-174	-90.7	0	0	0	108.6	F562 E578 N595 K596 L600	F562-N593 WeakPolarHBondContact CE1-O 3.15Å; E578-N593 CarbonylContact O-C 3.56Å; E578-N593 WeakPolarHBondContact O-CA 3.37Å; E578-N593 PolarHBondContact O-ND2 2.67Å; N593-N595 PolarHBondContact O-N 2.91Å; N593-N595 VanDerWaalsContact OD1-CB 3.31Å; N593-N595 WeakPolarHBondContact OD1-CB 3.38Å; N593-N595 PolarHBondContact OD1-N 2.82Å; N593-N595 PolarHBondContact OD1-ND2 2.93Å; N593-K596 HydrophobicContact CB-CB 4.27Å; N593-K596 HydrophobicContact CB-CD 4.48Å; N593-K596 HydrophobicContact CB-CG 4.33Å; N593-K596 PolarHBondContact O-N 2.92Å; N593-L600 HydrophobicContact CB-CD1 4.04Å; N593-L600 HydrophobicContact CB-CD2 4.23Å; N593-L600 HydrophobicContact CB-CG 4.21Å
594	V	92.6	Very high	93.2	Very high	17 Å²	17	43 Å²	43	10%	0.103	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.5	179.5	165.6	0	0	0	0	112.3	Y549 E578 I580	Y549-V594 HydrophobicContact CD1-CG1 4.17Å; Y549-V594 HydrophobicContact CE1-CB 4.48Å; Y549-V594 HydrophobicContact CE1-CG1 3.38Å; Y549-V594 HydrophobicContact CE1-CG2 4.38Å; Y549-V594 HydrophobicContact CE2-CG2 4.44Å; E578-V594 WeakPolarHBondContact O-CG2 3.27Å; E578-V594 PolarHBondContact O-N 2.86Å; I580-V594 HydrophobicContact CD1-CG2 4.03Å; I580-V594 HydrophobicContact CG1-CG2 4.3Å
595	N	90.7	Very high	92.9	Very high	117 Å²	117	45.2 Å²	45.2	63%	0.626	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	3.1	-177.5	-48.6	-68.6	0	0	0	114.1	N593	N593-N595 PolarHBondContact O-N 2.91Å; N593-N595 VanDerWaalsContact OD1-CB 3.31Å; N593-N595 WeakPolarHBondContact OD1-CB 3.38Å; N593-N595 PolarHBondContact OD1-N 2.82Å; N593-N595 PolarHBondContact OD1-ND2 2.93Å
596	K	88.2	Confident	92.8	Very high	119 Å²	119	44.6 Å²	44.6	52%	0.517	24%	0.238	S	C	.	.			trans	-132.1	128.3	-176.7	-61.4	-175.4	-179.7	179.9	0	111.7	F562 N593 H598 L600	F562-K596 WeakPolarHBondContact CE1-O 3.48Å; N593-K596 HydrophobicContact CB-CB 4.27Å; N593-K596 HydrophobicContact CB-CD 4.48Å; N593-K596 HydrophobicContact CB-CG 4.33Å; N593-K596 PolarHBondContact O-N 2.92Å; K596-H598 PolarHBondContact O-N 2.93Å; K596-H598 VanDerWaalsContact O-N 3.16Å; K596-L600 HydrophobicContact CD-CD2 4.29Å
597	P	80.5	Confident	92.8	Very high	71 Å²	71	48.1 Å²	48.1	46%	0.461	26%	0.256	S	S	.	.	S	Bend	trans	-71	-10.6	-176.7	29.1	-36	0	0	0	114.6	M560	M560-P597 VanDerWaalsContact CE-CA 3.48Å; M560-P597 HydrophobicContact CE-CB 3.83Å
598	H	82.9	Confident	92.8	Very high	142 Å²	142	47 Å²	47	66%	0.657	25%	0.248	S	C	*	.	S	Bend	trans	-108.2	148.1	-175.3	-57.9	-47.8	0	0	0	111.9	K596 L600	K596-H598 PolarHBondContact O-N 2.93Å; K596-H598 VanDerWaalsContact O-N 3.16Å; H598-L600 PolarHBondContact O-N 3.4Å
599	C	91.6	Very high	92.7	Very high	41 Å²	41	51.2 Å²	51.2	28%	0.277	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	129.8	173.4	-175.7	0	0	0	0	110.7	L591 W592 R601	L591-C599 CarbonylContact O-C 3.51Å; L591-C599 WeakPolarHBondContact O-CA 3.28Å; L591-C599 PolarHBondContact O-SG 3.01Å; W592-C599 VanDerWaalsContact CE3-CA 3.48Å; W592-C599 HydrophobicContact CE3-CB 3.81Å; W592-C599 HydrophobicContact CH2-CB 4.07Å; W592-C599 HydrophobicContact CZ3-CB 3.57Å; C599-R601 PolarHBondContact SG-O 3.39Å
600	L	90.5	Very high	92.4	Very high	69 Å²	69	58.9 Å²	58.9	36%	0.361	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-42	172.1	-66.2	-174.2	0	0	0	111.7	L591 N593 K596 H598	L591-L600 HydrophobicContact CB-CB 4.34Å; L591-L600 HydrophobicContact CD2-CB 4.26Å; L591-L600 HydrophobicContact CD2-CD1 3.99Å; L591-L600 HydrophobicContact CG-CB 4.37Å; L591-L600 HydrophobicContact CG-CD1 4.18Å; L591-L600 PolarHBondContact O-N 3.46Å; N593-L600 HydrophobicContact CB-CD1 4.04Å; N593-L600 HydrophobicContact CB-CD2 4.23Å; N593-L600 HydrophobicContact CB-CG 4.21Å; K596-L600 HydrophobicContact CD-CD2 4.29Å; H598-L600 PolarHBondContact O-N 3.4Å
601	R	91.6	Very high	92.3	Very high	59 Å²	59	60.2 Å²	60.2	22%	0.223	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	137.8	-173.7	-173.6	167.6	-72.2	101.2	5.7	111.4	K590 L591 C599 F603 K636 G637 L638	K590-R601 WeakPolarHBondContact CA-O 3.39Å; L591-R601 HydrophobicContact CB-CB 4.34Å; L591-R601 PolarHBondContact N-O 3.09Å; C599-R601 PolarHBondContact SG-O 3.39Å; R601-F603 HydrophobicContact CG-CE1 4.34Å; R601-F603 HydrophobicContact CG-CZ 4.44Å; R601-K636 PolarHBondContact NH1-O 3.22Å; R601-G637 VanDerWaalsContact CZ-C 3.43Å; R601-G637 PolarHBondContact NE-O 2.81Å; R601-G637 PolarHBondContact NH1-O 3.4Å; R601-G637 PolarHBondContact NH2-O 2.83Å; R601-L638 VanDerWaalsContact CD-C 3.47Å; R601-L638 WeakPolarHBondContact CD-O 3.49Å
602	S	95.1	Very high	92.1	Very high	36 Å²	36	62.9 Å²	62.9	25%	0.252	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.2	173.5	-63.4	0	0	0	0	110.2	L589 K590	L589-S602 CarbonylContact O-C 3.52Å; L589-S602 WeakPolarHBondContact O-CA 3.41Å; K590-S602 PolarHBondContact NZ-OG 3.33Å
603	F	95.8	Very high	92.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	140.8	178.9	-45.1	-95.7	0	0	0	110.3	V581 Q588 L589 L591 R601 Y634 K636 L638 S639	V581-F603 HydrophobicContact CG2-CE2 4.42Å; Q588-F603 WeakPolarHBondContact CA-O 3.22Å; L589-F603 HydrophobicContact CB-CB 4.09Å; L589-F603 HydrophobicContact CB-CD2 3.74Å; L589-F603 HydrophobicContact CB-CG 4.32Å; L589-F603 PolarHBondContact N-O 3.24Å; L589-F603 VanDerWaalsContact N-O 3.15Å; L589-F603 PolarHBondContact O-N 2.86Å; L591-F603 HydrophobicContact CB-CE2 3.85Å; L591-F603 HydrophobicContact CB-CZ 4.14Å; R601-F603 HydrophobicContact CG-CE1 4.34Å; R601-F603 HydrophobicContact CG-CZ 4.44Å; F603-Y634 HydrophobicContact CB-CD1 3.8Å; F603-Y634 HydrophobicContact CB-CE1 3.76Å; F603-Y634 HydrophobicContact CB-CE2 4.47Å; F603-Y634 HydrophobicContact CB-CG 4.17Å; F603-Y634 AromaticContact CD1-CD1 3.89Å; F603-Y634 HydrophobicContact CD1-CD1 3.89Å; F603-Y634 HydrophobicContact CD1-CG 4.06Å; F603-Y634 HydrophobicContact CG-CD1 4.23Å; F603-Y634 HydrophobicContact CG-CG 4.34Å; F603-K636 HydrophobicContact CZ-CB 4.48Å; F603-L638 WeakPolarHBondContact CD1-O 3.37Å; F603-L638 WeakPolarHBondContact CE1-O 3.41Å; F603-S639 WeakPolarHBondContact CA-O 3.17Å
604	K	93.4	Very high	92.1	Very high	123 Å²	123	62.1 Å²	62.1	54%	0.535	32%	0.317	S	S	.	.			trans	-134.6	160.4	-175	-62.4	-179.9	-177.3	175.1	0	111.3	Q588 Y634 S639 T641	Q588-K604 HydrophobicContact CG-CG 4.41Å; K604-Y634 VanDerWaalsContact O-CE1 3.32Å; K604-Y634 WeakPolarHBondContact O-CE1 3.08Å; K604-Y634 PolarHBondContact O-OH 2.82Å; K604-S639 PolarHBondContact N-O 2.81Å; K604-T641 WeakPolarHBondContact O-CG2 3.49Å
605	G	91.6	Very high	92.4	Very high	45 Å²	45	61.4 Å²	61.4	46%	0.464	31%	0.313	S	S	.	.	S	Bend	trans	118.6	-19.8	169.4	0	0	0	0	0	115.8	Y632	G605-Y632 VanDerWaalsContact O-CE1 3.3Å; G605-Y632 WeakPolarHBondContact O-CE1 2.87Å; G605-Y632 PolarHBondContact O-OH 3.11Å
606	H	94.7	Very high	92.6	Very high	7 Å²	7	56 Å²	56	3%	0.032	28%	0.284	C	S	.	.	S	Bend	trans	-76.6	161.2	158.8	66.2	-82.7	0	0	0	109.9	Y632 Y634	H606-Y632 HydrophobicContact CB-CD1 4.35Å; H606-Y632 HydrophobicContact CB-CD2 3.7Å; H606-Y632 HydrophobicContact CB-CE2 4.08Å; H606-Y632 HydrophobicContact CB-CG 3.83Å; H606-Y634 PolarHBondContact N-OH 3.46Å; H606-Y634 AromaticContact ND1-CE2 3.88Å; H606-Y634 AromaticContact ND1-CZ 3.8Å; H606-Y634 PolarHBondContact ND1-OH 3.43Å
607	I	95.6	Very high	92.8	Very high	76 Å²	76	51.5 Å²	51.5	39%	0.39	27%	0.268	S	S	.	.			trans	-110.9	119.9	175	-56	176.2	0	0	0	107.3	E609 S626 E627 N628	I607-E609 HydrophobicContact CG2-CG 4.49Å; I607-S626 PolarHBondContact N-OG 3.25Å; I607-S626 CarbonylContact O-C 3.54Å; I607-S626 VanDerWaalsContact O-CA 3.32Å; I607-S626 WeakPolarHBondContact O-CA 3.23Å; I607-S626 PolarHBondContact O-OG 3.06Å; I607-E627 HydrophobicContact CG2-CB 4.26Å; I607-E627 PolarHBondContact O-N 2.75Å; I607-N628 HydrophobicContact CD1-CB 4.38Å
608	N	95.3	Very high	93.3	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.251	C	S	.	.			trans	-150.1	97.4	173.2	-178.3	41.7	0	0	0	110	S584 T585 S587 N611 V613 E627	S584-N608 PolarHBondContact O-ND2 3.4Å; T585-N608 CarbonylContact C-O 3.55Å; T585-N608 WeakPolarHBondContact CA-O 3.38Å; T585-N608 VanDerWaalsContact O-O 3.06Å; S587-N608 PolarHBondContact N-O 2.91Å; S587-N608 PolarHBondContact OG-N 2.65Å; S587-N608 PolarHBondContact OG-O 3.21Å; N608-N611 PolarHBondContact OD1-O 2.79Å; N608-V613 HydrophobicContact CB-CG1 4.43Å; N608-V613 HydrophobicContact CB-CG2 4.14Å; N608-V613 WeakPolarHBondContact OD1-CG1 3.25Å; N608-E627 WeakPolarHBondContact CA-OE2 3.49Å
609	E	93.6	Very high	93.5	Very high	118 Å²	118	44.5 Å²	44.5	55%	0.551	24%	0.241	S	C	*	.	S	Bend	trans	-112.4	-19.5	-176.2	-59.5	-139.3	161.7	0	0	114.4	K567 T585 I607 E627	K567-E609 PolarHBondContact NZ-O 3Å; T585-E609 WeakPolarHBondContact O-CA 3.46Å; I607-E609 HydrophobicContact CG2-CG 4.49Å; E609-E627 PolarHBondContact N-OE2 2.81Å
610	K	92.4	Very high	93.4	Very high	162 Å²	162	43.9 Å²	43.9	70%	0.704	24%	0.235	S	C	*	.	S	Bend	trans	-139.1	-39.1	-169.9	177.5	-178.3	174.8	-174.6	0	114.2	E627	K610-E627 WeakPolarHBondContact CB-OE1 3.3Å; K610-E627 PolarHBondContact N-OE1 2.86Å
611	N	94.1	Very high	93.6	Very high	41 Å²	41	41.5 Å²	41.5	22%	0.219	22%	0.222	C	C	.	.	S	Bend	trans	-97.6	173	-164.6	-65.8	-74.7	0	0	0	114	N608 V613 E627 F666	N608-N611 PolarHBondContact OD1-O 2.79Å; N611-V613 HydrophobicContact CB-CG1 4.31Å; N611-E627 HydrophobicContact CB-CG 4.43Å; N611-E627 WeakPolarHBondContact CB-OE1 3.19Å; N611-E627 PolarHBondContact N-OE1 3.12Å; N611-E627 PolarHBondContact ND2-OE1 3.44Å; N611-F666 HydrophobicContact CB-CD1 4.42Å; N611-F666 HydrophobicContact CB-CD2 3.83Å; N611-F666 HydrophobicContact CB-CE1 4.39Å; N611-F666 HydrophobicContact CB-CE2 3.79Å; N611-F666 HydrophobicContact CB-CG 4.16Å; N611-F666 HydrophobicContact CB-CZ 4.09Å
612	F	93.7	Very high	93.8	Very high	57 Å²	57	38.7 Å²	38.7	25%	0.25	21%	0.211	C	C	.	.			trans	-95.4	107.3	165.6	-77.9	-103.4	0	0	0	107.6	W484 C526 Y571	W484-F612 HydrophobicContact CD2-CZ 4.21Å; W484-F612 HydrophobicContact CE3-CE1 4.37Å; W484-F612 HydrophobicContact CE3-CE2 4.27Å; W484-F612 HydrophobicContact CE3-CZ 4.04Å; W484-F612 HydrophobicContact CH2-CD2 4.47Å; W484-F612 AromaticContact CH2-CE2 3.86Å; W484-F612 HydrophobicContact CH2-CE2 3.86Å; W484-F612 HydrophobicContact CH2-CZ 4.31Å; W484-F612 HydrophobicContact CZ2-CE2 4.31Å; W484-F612 HydrophobicContact CZ2-CZ 4.47Å; W484-F612 HydrophobicContact CZ3-CD2 4.21Å; W484-F612 AromaticContact CZ3-CE2 3.85Å; W484-F612 HydrophobicContact CZ3-CE2 3.85Å; W484-F612 HydrophobicContact CZ3-CZ 4.1Å; C526-F612 HydrophobicContact CB-CE1 4.09Å; C526-F612 HydrophobicContact CB-CZ 4.14Å; Y571-F612 HydrophobicContact CE2-CB 4.05Å; Y571-F612 AromaticContact CE2-CD1 3.82Å; Y571-F612 HydrophobicContact CE2-CD1 3.82Å; Y571-F612 HydrophobicContact CE2-CG 4.4Å; Y571-F612 AromaticContact CZ-CD1 3.98Å
613	V	95.3	Very high	93.9	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.2	C	C	.	.			trans	-101.3	5.3	-170.9	-61.8	0	0	0	0	114.9	N608 N611 G625 E627 F666 V667 S668	N608-V613 HydrophobicContact CB-CG1 4.43Å; N608-V613 HydrophobicContact CB-CG2 4.14Å; N608-V613 WeakPolarHBondContact OD1-CG1 3.25Å; N611-V613 HydrophobicContact CB-CG1 4.31Å; V613-G625 WeakPolarHBondContact O-CA 3.33Å; V613-G625 PolarHBondContact O-N 3.41Å; V613-E627 HydrophobicContact CG1-CG 4.15Å; V613-F666 HydrophobicContact CG1-CD2 4.38Å; V613-V667 CarbonylContact C-O 3.54Å; V613-V667 WeakPolarHBondContact CA-O 3.24Å; V613-V667 VanDerWaalsContact CB-O 3.28Å; V613-V667 WeakPolarHBondContact CB-O 3.25Å; V613-S668 CarbonylContact C-O 3.57Å
614	G	95.6	Very high	93.9	Very high	2 Å²	2	37 Å²	37	2%	0.021	20%	0.2	C	C	.	.			trans	73.2	149.9	-172.5	0	0	0	0	0	114.5	Y571 C624 S668	Y571-G614 VanDerWaalsContact CE2-N 3.28Å; G614-C624 WeakPolarHBondContact O-CA 3.43Å; G614-S668 PolarHBondContact N-O 2.75Å
615	L	97.8	Very high	94.1	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	129.5	172.7	179.3	68.8	0	0	0	109.7	Y571 K573 V581 A583 L589 V622 C624	Y571-L615 HydrophobicContact CD2-CB 4.3Å; Y571-L615 HydrophobicContact CG-CB 3.9Å; K573-L615 WeakPolarHBondContact CD-O 3.27Å; K573-L615 WeakPolarHBondContact CE-O 3.32Å; V581-L615 HydrophobicContact CG1-CD2 4.27Å; A583-L615 HydrophobicContact CB-CB 4.35Å; A583-L615 HydrophobicContact CB-CD1 4.46Å; A583-L615 HydrophobicContact CB-CD2 4.03Å; L589-L615 HydrophobicContact CD1-CD1 3.95Å; L589-L615 HydrophobicContact CD2-CD1 4.08Å; L615-V622 HydrophobicContact CD1-CG1 3.66Å; L615-C624 HydrophobicContact CD1-CB 4.22Å
616	A	95.7	Very high	94.4	Very high	3 Å²	3	29 Å²	29	3%	0.025	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	139.3	174.3	0	0	0	0	0	112.2	A623 V670 W672	A616-A623 PolarHBondContact N-O 2.71Å; A616-A623 PolarHBondContact O-N 3.48Å; A616-V670 HydrophobicContact CB-CG2 3.94Å; A616-W672 VanDerWaalsContact C-CD1 3.47Å; A616-W672 VanDerWaalsContact CB-CD1 3.48Å; A616-W672 HydrophobicContact CB-CG 4.5Å; A616-W672 PolarHBondContact O-NE1 2.61Å
617	S	93.1	Very high	94.4	Very high	25 Å²	25	30.9 Å²	30.9	18%	0.175	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141.4	177.7	33.3	0	0	0	0	110.4	F574 Y621 W672	F574-S617 PolarHBondContact O-OG 2.99Å; S617-Y621 WeakPolarHBondContact CA-O 3.36Å; S617-W672 VanDerWaalsContact C-CD1 3.41Å
618	N	90.6	Very high	94.3	Very high	23 Å²	23	30 Å²	30	12%	0.123	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	120	167	-175.8	30.9	0	0	0	109.6	D620 Y621 W672 S680	N618-D620 PolarHBondContact O-N 2.99Å; N618-D620 VanDerWaalsContact O-N 3.16Å; N618-Y621 PolarHBondContact N-O 2.9Å; N618-Y621 PolarHBondContact O-N 2.93Å; N618-W672 HydrophobicContact CB-CB 3.81Å; N618-W672 HydrophobicContact CB-CD2 3.51Å; N618-W672 HydrophobicContact CB-CE3 3.93Å; N618-W672 HydrophobicContact CB-CG 3.47Å; N618-W672 VanDerWaalsContact CB-CG 3.47Å; N618-S680 PolarHBondContact ND2-O 2.76Å
619	G	86.9	Confident	94.3	Very high	43 Å²	43	30.1 Å²	30.1	44%	0.443	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	-119.3	-172	0	0	0	0	0	111.6	V575	V575-G619 WeakPolarHBondContact CG1-O 3.15Å
620	D	90.3	Very high	94.4	Very high	29 Å²	29	24.8 Å²	24.8	16%	0.155	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	6.8	-179.6	-63.2	-42.7	0	0	0	114.8	K365 N618 Y635 K636	K365-D620 HydrophobicContact CD-CB 4.44Å; K365-D620 WeakPolarHBondContact CD-OD2 3.37Å; K365-D620 WeakPolarHBondContact CE-OD2 3.19Å; K365-D620 IonicContact NZ-OD2 3.82Å; K365-D620 PolarHBondContact NZ-OD2 2.81Å; N618-D620 PolarHBondContact O-N 2.99Å; N618-D620 VanDerWaalsContact O-N 3.16Å; D620-Y635 HydrophobicContact CB-CD2 3.93Å; D620-Y635 HydrophobicContact CB-CE2 3.68Å; D620-Y635 WeakPolarHBondContact O-CD2 3.5Å; D620-K636 HydrophobicContact CB-CD 4.25Å; D620-K636 HydrophobicContact CB-CG 4.24Å; D620-K636 PolarHBondContact O-N 2.85Å; D620-K636 WeakPolarHBondContact OD1-CD 3.38Å; D620-K636 WeakPolarHBondContact OD1-CE 3.16Å; D620-K636 IonicContact OD1-NZ 2.99Å; D620-K636 PolarHBondContact OD1-NZ 2.82Å
621	Y	93.4	Very high	94.6	Very high	19 Å²	19	17.5 Å²	17.5	8%	0.075	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	143.7	-178.2	-57.8	-81.2	0	0	0	112.5	K365 R368 Y369 S617 N618 Y634 Y635 L642	K365-Y621 WeakPolarHBondContact CA-OH 3.43Å; K365-Y621 PolarHBondContact O-OH 2.96Å; R368-Y621 WeakPolarHBondContact CD-OH 3.34Å; Y369-Y621 HydrophobicContact CD2-CD1 4.49Å; Y369-Y621 HydrophobicContact CD2-CE1 4Å; Y369-Y621 HydrophobicContact CD2-CE2 4.49Å; Y369-Y621 HydrophobicContact CE2-CD1 4.39Å; Y369-Y621 HydrophobicContact CE2-CD2 4.1Å; Y369-Y621 AromaticContact CE2-CE1 3.98Å; Y369-Y621 HydrophobicContact CE2-CE1 3.98Å; Y369-Y621 AromaticContact CE2-CE2 3.67Å; Y369-Y621 HydrophobicContact CE2-CE2 3.67Å; Y369-Y621 HydrophobicContact CE2-CG 4.44Å; Y369-Y621 AromaticContact CE2-CZ 3.6Å; S617-Y621 WeakPolarHBondContact CA-O 3.36Å; N618-Y621 PolarHBondContact N-O 2.9Å; N618-Y621 PolarHBondContact O-N 2.93Å; Y621-Y634 WeakPolarHBondContact CA-O 3.15Å; Y621-Y635 HydrophobicContact CE1-CD2 4.2Å; Y621-L642 HydrophobicContact CD1-CD1 4.36Å; Y621-L642 HydrophobicContact CE1-CD1 4.04Å
622	V	95.7	Very high	94.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.9	179.1	-179.3	0	0	0	0	109	V581 L589 L615 Y634	V581-V622 HydrophobicContact CB-CG2 4.49Å; V581-V622 HydrophobicContact CG1-CG1 4.32Å; V581-V622 HydrophobicContact CG1-CG2 4.23Å; V581-V622 HydrophobicContact CG2-CG1 4.02Å; V581-V622 HydrophobicContact CG2-CG2 4.27Å; L589-V622 HydrophobicContact CD1-CG1 3.76Å; L615-V622 HydrophobicContact CD1-CG1 3.66Å; V622-Y634 PolarHBondContact N-O 3.45Å; V622-Y634 PolarHBondContact O-N 2.67Å
623	A	96.9	Very high	94.8	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.008	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.7	176.8	0	0	0	0	0	110.3	A616 L631 Y632 L633 W672 L683	A616-A623 PolarHBondContact N-O 2.71Å; A616-A623 PolarHBondContact O-N 3.48Å; A623-L631 HydrophobicContact CB-CD1 4.38Å; A623-Y632 WeakPolarHBondContact CA-O 3.37Å; A623-L633 HydrophobicContact CB-CD1 4.34Å; A623-W672 HydrophobicContact CB-CZ2 4.08Å; A623-L683 HydrophobicContact CB-CD2 4.26Å
624	C	97.4	Very high	94.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	153.3	172.8	72.5	0	0	0	0	111.1	L589 G614 L615 Y632	L589-C624 HydrophobicContact CD1-CB 4.08Å; L589-C624 HydrophobicContact CD2-CB 4.2Å; G614-C624 WeakPolarHBondContact O-CA 3.43Å; L615-C624 HydrophobicContact CD1-CB 4.22Å; C624-Y632 PolarHBondContact N-O 3.48Å; C624-Y632 PolarHBondContact O-N 3.39Å
625	G	97.1	Very high	94.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.087	C	C	.	.			trans	-74	-176	168.1	0	0	0	0	0	113.1	V613 S630 V667	V613-G625 WeakPolarHBondContact O-CA 3.33Å; V613-G625 PolarHBondContact O-N 3.41Å; G625-S630 CarbonylContact C-O 3.46Å; G625-V667 VanDerWaalsContact CA-CG1 3.49Å
626	S	96.8	Very high	94.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.			trans	-159.9	153.1	-179.3	-177.8	0	0	0	0	110.4	I607 N628 N629 S630 Y632 F666 V667	I607-S626 PolarHBondContact N-OG 3.25Å; I607-S626 CarbonylContact O-C 3.54Å; I607-S626 VanDerWaalsContact O-CA 3.32Å; I607-S626 WeakPolarHBondContact O-CA 3.23Å; I607-S626 PolarHBondContact O-OG 3.06Å; S626-N628 WeakPolarHBondContact CB-OD1 3.39Å; S626-N628 PolarHBondContact O-N 3.05Å; S626-N628 PolarHBondContact OG-OD1 2.86Å; S626-N629 PolarHBondContact O-N 2.87Å; S626-S630 WeakPolarHBondContact CB-O 3.46Å; S626-S630 PolarHBondContact N-O 3.4Å; S626-Y632 VanDerWaalsContact CB-CE2 3.43Å; S626-Y632 WeakPolarHBondContact OG-CE2 3.47Å; S626-F666 WeakPolarHBondContact O-CA 3.43Å; S626-V667 PolarHBondContact O-N 2.82Å; S626-V667 VanDerWaalsContact O-N 3.14Å
627	E	95.3	Very high	94	Very high	45 Å²	45	16.8 Å²	16.8	21%	0.21	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	9.1	-178	-63	176.4	148.1	0	0	114.1	I607 N608 E609 K610 N611 V613 E665 F666	I607-E627 HydrophobicContact CG2-CB 4.26Å; I607-E627 PolarHBondContact O-N 2.75Å; N608-E627 WeakPolarHBondContact CA-OE2 3.49Å; E609-E627 PolarHBondContact N-OE2 2.81Å; K610-E627 WeakPolarHBondContact CB-OE1 3.3Å; K610-E627 PolarHBondContact N-OE1 2.86Å; N611-E627 HydrophobicContact CB-CG 4.43Å; N611-E627 WeakPolarHBondContact CB-OE1 3.19Å; N611-E627 PolarHBondContact N-OE1 3.12Å; N611-E627 PolarHBondContact ND2-OE1 3.44Å; V613-E627 HydrophobicContact CG1-CG 4.15Å; E627-E665 CarbonylContact C-O 3.6Å; E627-F666 HydrophobicContact CB-CB 4.4Å; E627-F666 HydrophobicContact CG-CB 4.16Å
628	N	93.3	Very high	93.8	Very high	57 Å²	57	15.7 Å²	15.7	31%	0.305	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	37.3	167.7	63.5	-8.5	0	0	0	111.5	I607 S626 S630 Y632	I607-N628 HydrophobicContact CD1-CB 4.38Å; S626-N628 WeakPolarHBondContact CB-OD1 3.39Å; S626-N628 PolarHBondContact O-N 3.05Å; S626-N628 PolarHBondContact OG-OD1 2.86Å; N628-S630 PolarHBondContact O-N 3.01Å; N628-S630 VanDerWaalsContact O-N 3.09Å; N628-S630 PolarHBondContact O-OG 3.38Å; N628-S630 WeakPolarHBondContact OD1-CB 3.39Å; N628-Y632 PolarHBondContact ND2-OH 3.27Å
629	N	94.8	Very high	93.8	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.027	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.1	41	-176.8	-157.7	17.2	0	0	0	114.1	S626 F647 T649 E665 N687	S626-N629 PolarHBondContact O-N 2.87Å; N629-F647 WeakPolarHBondContact O-CB 3.44Å; N629-F647 PolarHBondContact O-N 3.27Å; N629-T649 PolarHBondContact ND2-OG1 3.31Å; N629-T649 VanDerWaalsContact ND2-OG1 3.12Å; N629-E665 HydrophobicContact CB-CB 3.91Å; N629-E665 PolarHBondContact N-O 3.25Å; N629-E665 PolarHBondContact ND2-OE2 3.14Å; N629-N687 WeakPolarHBondContact OD1-CB 3.31Å; N629-N687 PolarHBondContact OD1-ND2 3.43Å
630	S	95.8	Very high	93.9	Very high	6 Å²	6	17.5 Å²	17.5	4%	0.042	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.5	-174.6	-56.7	0	0	0	0	112.7	G625 S626 N628 F645	G625-S630 CarbonylContact C-O 3.46Å; S626-S630 WeakPolarHBondContact CB-O 3.46Å; S626-S630 PolarHBondContact N-O 3.4Å; N628-S630 PolarHBondContact O-N 3.01Å; N628-S630 VanDerWaalsContact O-N 3.09Å; N628-S630 PolarHBondContact O-OG 3.38Å; N628-S630 WeakPolarHBondContact OD1-CB 3.39Å; S630-F645 CarbonylContact C-O 3.54Å; S630-F645 WeakPolarHBondContact CA-O 3.4Å
631	L	97.1	Very high	93.9	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.042	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.7	168.9	178.1	75.8	0	0	0	109.4	A623 T644 F645 V670 L683 A685 L695	A623-L631 HydrophobicContact CB-CD1 4.38Å; L631-T644 CarbonylContact O-C 3.59Å; L631-T644 VanDerWaalsContact O-CA 3.28Å; L631-T644 WeakPolarHBondContact O-CA 3.25Å; L631-T644 WeakPolarHBondContact O-CG2 3.39Å; L631-F645 HydrophobicContact CB-CB 4.35Å; L631-F645 PolarHBondContact N-O 2.82Å; L631-F645 PolarHBondContact O-N 3.09Å; L631-V670 HydrophobicContact CD1-CB 4.34Å; L631-V670 HydrophobicContact CD1-CG1 3.47Å; L631-V670 VanDerWaalsContact CD1-CG1 3.47Å; L631-L683 HydrophobicContact CD2-CD1 3.57Å; L631-L683 HydrophobicContact CD2-CD2 4.3Å; L631-A685 HydrophobicContact CD1-CB 4.18Å; L631-A685 HydrophobicContact CD2-CB 4.3Å; L631-L695 HydrophobicContact CD2-CD1 3.68Å
632	Y	97.3	Very high	93.8	Very high	23 Å²	23	17.7 Å²	17.7	9%	0.09	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.1	174.2	-75.5	-100.5	0	0	0	111.1	G605 H606 A623 C624 S626 N628 T641 T644	G605-Y632 VanDerWaalsContact O-CE1 3.3Å; G605-Y632 WeakPolarHBondContact O-CE1 2.87Å; G605-Y632 PolarHBondContact O-OH 3.11Å; H606-Y632 HydrophobicContact CB-CD1 4.35Å; H606-Y632 HydrophobicContact CB-CD2 3.7Å; H606-Y632 HydrophobicContact CB-CE2 4.08Å; H606-Y632 HydrophobicContact CB-CG 3.83Å; A623-Y632 WeakPolarHBondContact CA-O 3.37Å; C624-Y632 PolarHBondContact N-O 3.48Å; C624-Y632 PolarHBondContact O-N 3.39Å; S626-Y632 VanDerWaalsContact CB-CE2 3.43Å; S626-Y632 WeakPolarHBondContact OG-CE2 3.47Å; N628-Y632 PolarHBondContact ND2-OH 3.27Å; Y632-T641 HydrophobicContact CD1-CG2 3.51Å; Y632-T641 HydrophobicContact CE1-CG2 3.92Å; Y632-T644 HydrophobicContact CD1-CG2 4.19Å; Y632-T644 VanDerWaalsContact CD1-OG1 3.3Å; Y632-T644 WeakPolarHBondContact CD1-OG1 3.4Å; Y632-T644 HydrophobicContact CD2-CG2 4.27Å; Y632-T644 HydrophobicContact CE1-CG2 3.94Å; Y632-T644 VanDerWaalsContact CE1-OG1 3.27Å; Y632-T644 WeakPolarHBondContact CE1-OG1 3.32Å; Y632-T644 HydrophobicContact CE2-CG2 3.99Å; Y632-T644 HydrophobicContact CG-CG2 4.39Å
633	L	95.9	Very high	93.6	Very high	6 Å²	6	18.9 Å²	18.9	3%	0.031	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.4	175.4	-175.5	70.9	0	0	0	110.2	A623 L642 L643 W672 L697	A623-L633 HydrophobicContact CB-CD1 4.34Å; L633-L642 WeakPolarHBondContact O-CB 3.37Å; L633-L642 PolarHBondContact O-N 2.9Å; L633-L643 HydrophobicContact CB-CB 4.16Å; L633-L643 HydrophobicContact CD2-CB 4.28Å; L633-L643 HydrophobicContact CD2-CD1 4.12Å; L633-L643 HydrophobicContact CD2-CG 4.45Å; L633-L643 PolarHBondContact N-O 3.3Å; L633-L643 PolarHBondContact O-N 2.64Å; L633-W672 HydrophobicContact CD1-CH2 3.72Å; L633-W672 HydrophobicContact CD1-CZ2 3.61Å; L633-L697 HydrophobicContact CD1-CD1 4.28Å; L633-L697 HydrophobicContact CD2-CD1 3.66Å; L633-L697 HydrophobicContact CD2-CD2 4.03Å
634	Y	95.3	Very high	93.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152	175.2	-63.7	-84.7	0	0	0	110.3	L589 F603 K604 H606 Y621 V622 T641	L589-Y634 HydrophobicContact CD1-CD2 3.93Å; L589-Y634 HydrophobicContact CD1-CE2 4.01Å; F603-Y634 HydrophobicContact CB-CD1 3.8Å; F603-Y634 HydrophobicContact CB-CE1 3.76Å; F603-Y634 HydrophobicContact CB-CE2 4.47Å; F603-Y634 HydrophobicContact CB-CG 4.17Å; F603-Y634 AromaticContact CD1-CD1 3.89Å; F603-Y634 HydrophobicContact CD1-CD1 3.89Å; F603-Y634 HydrophobicContact CD1-CG 4.06Å; F603-Y634 HydrophobicContact CG-CD1 4.23Å; F603-Y634 HydrophobicContact CG-CG 4.34Å; K604-Y634 VanDerWaalsContact O-CE1 3.32Å; K604-Y634 WeakPolarHBondContact O-CE1 3.08Å; K604-Y634 PolarHBondContact O-OH 2.82Å; H606-Y634 PolarHBondContact N-OH 3.46Å; H606-Y634 AromaticContact ND1-CE2 3.88Å; H606-Y634 AromaticContact ND1-CZ 3.8Å; H606-Y634 PolarHBondContact ND1-OH 3.43Å; Y621-Y634 WeakPolarHBondContact CA-O 3.15Å; V622-Y634 PolarHBondContact N-O 3.45Å; V622-Y634 PolarHBondContact O-N 2.67Å; Y634-T641 HydrophobicContact CD1-CG2 4.47Å; Y634-T641 HydrophobicContact CE1-CG2 3.54Å; Y634-T641 WeakPolarHBondContact OH-CG2 3.43Å
635	Y	93.3	Very high	93.4	Very high	16 Å²	16	23.3 Å²	23.3	6%	0.063	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.2	164.6	160.4	-106.6	0	0	0	108.2	C362 K365 F366 D620 Y621 G637 L638	C362-Y635 WeakPolarHBondContact CA-OH 3.34Å; K365-Y635 HydrophobicContact CB-CD2 3.99Å; K365-Y635 HydrophobicContact CB-CE2 3.52Å; K365-Y635 HydrophobicContact CD-CE2 3.87Å; K365-Y635 HydrophobicContact CG-CE2 4.32Å; F366-Y635 HydrophobicContact CB-CD1 4.31Å; D620-Y635 HydrophobicContact CB-CD2 3.93Å; D620-Y635 HydrophobicContact CB-CE2 3.68Å; D620-Y635 WeakPolarHBondContact O-CD2 3.5Å; Y621-Y635 HydrophobicContact CE1-CD2 4.2Å; Y635-G637 VanDerWaalsContact CE1-CA 3.48Å; Y635-G637 PolarHBondContact O-N 2.88Å; Y635-L638 HydrophobicContact CD1-CB 4.42Å; Y635-L638 HydrophobicContact CD1-CD1 4.21Å; Y635-L638 HydrophobicContact CD1-CG 4.11Å; Y635-L638 HydrophobicContact CE1-CG 4.46Å; Y635-L638 PolarHBondContact O-N 3.14Å; Y635-L638 VanDerWaalsContact O-O 3.13Å
636	K	91.3	Very high	93.3	Very high	37 Å²	37	30 Å²	30	16%	0.161	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.4	-166.3	80.1	178	-168.2	-165.3	0	114.6	V575 E579 L591 R601 F603 D620	V575-K636 HydrophobicContact CG1-CD 4.09Å; E579-K636 VanDerWaalsContact OE2-CE 3.3Å; E579-K636 WeakPolarHBondContact OE2-CE 3.13Å; E579-K636 IonicContact OE2-NZ 3.64Å; E579-K636 PolarHBondContact OE2-NZ 2.87Å; L591-K636 HydrophobicContact CD2-CB 4.3Å; R601-K636 PolarHBondContact NH1-O 3.22Å; F603-K636 HydrophobicContact CZ-CB 4.48Å; D620-K636 HydrophobicContact CB-CD 4.25Å; D620-K636 HydrophobicContact CB-CG 4.24Å; D620-K636 PolarHBondContact O-N 2.85Å; D620-K636 WeakPolarHBondContact OD1-CD 3.38Å; D620-K636 WeakPolarHBondContact OD1-CE 3.16Å; D620-K636 IonicContact OD1-NZ 2.99Å; D620-K636 PolarHBondContact OD1-NZ 2.82Å
637	G	87.6	Confident	93.1	Very high	10 Å²	10	30.1 Å²	30.1	10%	0.103	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-12.1	179.2	0	0	0	0	0	115.7	R601 Y635	R601-G637 VanDerWaalsContact CZ-C 3.43Å; R601-G637 PolarHBondContact NE-O 2.81Å; R601-G637 PolarHBondContact NH1-O 3.4Å; R601-G637 PolarHBondContact NH2-O 2.83Å; Y635-G637 VanDerWaalsContact CE1-CA 3.48Å; Y635-G637 PolarHBondContact O-N 2.88Å
638	L	88.9	Confident	92.7	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.167	C	C	.	.			trans	-132.7	152.3	-174.8	-64.3	171.9	0	0	0	111.8	D333 L334 C337 F366 R601 F603 Y635	D333-L638 HydrophobicContact CB-CD2 4.29Å; L334-L638 HydrophobicContact CD2-CD1 3.88Å; L334-L638 HydrophobicContact CD2-CD2 3.98Å; L334-L638 HydrophobicContact CG-CD1 4.3Å; L334-L638 HydrophobicContact CG-CD2 4.18Å; C337-L638 HydrophobicContact CB-CD2 4.07Å; F366-L638 HydrophobicContact CB-CD1 3.91Å; F366-L638 HydrophobicContact CD1-CD1 4.14Å; F366-L638 HydrophobicContact CD2-CD1 3.45Å; F366-L638 VanDerWaalsContact CD2-CD1 3.45Å; F366-L638 HydrophobicContact CE2-CD1 3.99Å; F366-L638 HydrophobicContact CG-CD1 3.54Å; R601-L638 VanDerWaalsContact CD-C 3.47Å; R601-L638 WeakPolarHBondContact CD-O 3.49Å; F603-L638 WeakPolarHBondContact CD1-O 3.37Å; F603-L638 WeakPolarHBondContact CE1-O 3.41Å; Y635-L638 HydrophobicContact CD1-CB 4.42Å; Y635-L638 HydrophobicContact CD1-CD1 4.21Å; Y635-L638 HydrophobicContact CD1-CG 4.11Å; Y635-L638 HydrophobicContact CE1-CG 4.46Å; Y635-L638 PolarHBondContact O-N 3.14Å; Y635-L638 VanDerWaalsContact O-O 3.13Å
639	S	89.8	Confident	91.8	Very high	31 Å²	31	32.2 Å²	32.2	22%	0.217	17%	0.167	C	C	.	.	S	Bend	trans	-93.7	-30.7	-169.2	-34.1	0	0	0	0	112.5	D333 F603 K604	D333-S639 VanDerWaalsContact OD1-CB 3.26Å; D333-S639 WeakPolarHBondContact OD1-CB 3.35Å; D333-S639 PolarHBondContact OD1-OG 2.86Å; D333-S639 WeakPolarHBondContact OD2-CA 3.02Å; D333-S639 PolarHBondContact OD2-N 3.28Å; F603-S639 WeakPolarHBondContact CA-O 3.17Å; K604-S639 PolarHBondContact N-O 2.81Å
640	K	88.8	Confident	90.4	Very high	73 Å²	73	36.7 Å²	36.7	32%	0.317	20%	0.195	S	C	.	.	S	Bend	trans	-80.7	156.2	176.7	-63	-176.8	-171.4	-173	0	111.9	A329 E332 D333	A329-K640 PolarHBondContact O-NZ 3.46Å; E332-K640 IonicContact OE2-NZ 2.71Å; E332-K640 PolarHBondContact OE2-NZ 3.19Å; D333-K640 HydrophobicContact CB-CD 4.42Å; D333-K640 HydrophobicContact CB-CG 4.49Å; D333-K640 PolarHBondContact OD2-N 2.99Å
641	T	91.4	Very high	88.5	Confident	41 Å²	41	43.1 Å²	43.1	25%	0.252	22%	0.222	S	C	.	.			trans	-65.9	128.5	-178.2	51.9	0	0	0	0	112.9	H330 K604 Y632 Y634	H330-T641 PolarHBondContact CE1-O 3.49Å; H330-T641 PolarHBondContact NE2-O 3.32Å; K604-T641 WeakPolarHBondContact O-CG2 3.49Å; Y632-T641 HydrophobicContact CD1-CG2 3.51Å; Y632-T641 HydrophobicContact CE1-CG2 3.92Å; Y634-T641 HydrophobicContact CD1-CG2 4.47Å; Y634-T641 HydrophobicContact CE1-CG2 3.54Å; Y634-T641 WeakPolarHBondContact OH-CG2 3.43Å
642	L	90.4	Very high	86.5	Confident	11 Å²	11	45.3 Å²	45.3	6%	0.058	24%	0.238	C	C	.	.	S	Bend	trans	-81.4	-48.7	179.8	-160	166.7	0	0	0	111.7	F366 Y621 L633	F366-L642 HydrophobicContact CD2-CD1 4.06Å; F366-L642 HydrophobicContact CD2-CG 3.96Å; F366-L642 HydrophobicContact CE2-CG 4.09Å; Y621-L642 HydrophobicContact CD1-CD1 4.36Å; Y621-L642 HydrophobicContact CE1-CD1 4.04Å; L633-L642 WeakPolarHBondContact O-CB 3.37Å; L633-L642 PolarHBondContact O-N 2.9Å
643	L	91.6	Very high	84.2	Confident	24 Å²	24	49.9 Å²	49.9	13%	0.126	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	158.4	174.2	-67	173.1	0	0	0	110.6	N370 V372 L633 L697	N370-L643 WeakPolarHBondContact O-CD2 3.42Å; V372-L643 HydrophobicContact CG2-CB 4.2Å; V372-L643 HydrophobicContact CG2-CD1 3.9Å; L633-L643 HydrophobicContact CB-CB 4.16Å; L633-L643 HydrophobicContact CD2-CB 4.28Å; L633-L643 HydrophobicContact CD2-CD1 4.12Å; L633-L643 HydrophobicContact CD2-CG 4.45Å; L633-L643 PolarHBondContact N-O 3.3Å; L633-L643 PolarHBondContact O-N 2.64Å; L643-L697 HydrophobicContact CD1-CD2 4.45Å
644	T	94.5	Very high	82.3	Confident	66 Å²	66	57 Å²	57	41%	0.405	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.5	170.1	-55.8	0	0	0	0	108.5	L631 Y632	L631-T644 CarbonylContact O-C 3.59Å; L631-T644 VanDerWaalsContact O-CA 3.28Å; L631-T644 WeakPolarHBondContact O-CA 3.25Å; L631-T644 WeakPolarHBondContact O-CG2 3.39Å; Y632-T644 HydrophobicContact CD1-CG2 4.19Å; Y632-T644 VanDerWaalsContact CD1-OG1 3.3Å; Y632-T644 WeakPolarHBondContact CD1-OG1 3.4Å; Y632-T644 HydrophobicContact CD2-CG2 4.27Å; Y632-T644 HydrophobicContact CE1-CG2 3.94Å; Y632-T644 VanDerWaalsContact CE1-OG1 3.27Å; Y632-T644 WeakPolarHBondContact CE1-OG1 3.32Å; Y632-T644 HydrophobicContact CE2-CG2 3.99Å; Y632-T644 HydrophobicContact CG-CG2 4.39Å
645	F	95.8	Very high	80.4	Confident	28 Å²	28	60.1 Å²	60.1	12%	0.123	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	117.4	171.9	173.2	-86.7	0	0	0	108.4	V372 S630 L631 F647 K693 L695	V372-F645 HydrophobicContact CB-CB 4.18Å; V372-F645 HydrophobicContact CB-CD2 4.07Å; V372-F645 HydrophobicContact CB-CG 4.49Å; V372-F645 HydrophobicContact CG1-CB 4.14Å; V372-F645 HydrophobicContact CG1-CD2 3.94Å; V372-F645 HydrophobicContact CG1-CG 4.2Å; V372-F645 HydrophobicContact CG2-CB 4.24Å; S630-F645 CarbonylContact C-O 3.54Å; S630-F645 WeakPolarHBondContact CA-O 3.4Å; L631-F645 HydrophobicContact CB-CB 4.35Å; L631-F645 PolarHBondContact N-O 2.82Å; L631-F645 PolarHBondContact O-N 3.09Å; F645-F647 HydrophobicContact CD1-CD2 4.07Å; F645-F647 HydrophobicContact CD1-CE2 4.05Å; F645-F647 AromaticContact CE1-CD2 3.96Å; F645-F647 HydrophobicContact CE1-CD2 3.96Å; F645-F647 HydrophobicContact CE1-CE2 4.05Å; F645-F647 HydrophobicContact CE1-CG 4.33Å; F645-K693 HydrophobicContact CE1-CD 3.77Å; F645-K693 HydrophobicContact CZ-CD 3.65Å; F645-L695 HydrophobicContact CD1-CD1 3.75Å; F645-L695 HydrophobicContact CD1-CD2 4.24Å; F645-L695 HydrophobicContact CD2-CD2 4.2Å; F645-L695 HydrophobicContact CE1-CD1 4.1Å; F645-L695 HydrophobicContact CE1-CD2 3.94Å; F645-L695 HydrophobicContact CE2-CD2 3.88Å; F645-L695 HydrophobicContact CG-CD1 4.1Å; F645-L695 HydrophobicContact CG-CD2 4.39Å; F645-L695 HydrophobicContact CZ-CD2 3.76Å
646	K	94.7	Very high	78.4	Confident	140 Å²	140	67.4 Å²	67.4	61%	0.609	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	136	177.2	-176.6	173.1	-179.7	-176.9	0	109.8
647	F	92.6	Very high	76.6	Confident	3 Å²	3	73.3 Å²	73.3	1%	0.013	39%	0.387	C	S	.	.			trans	-77.5	148.2	172.7	-82	-111.7	0	0	0	111.3	N629 F645 T649 V667 A685 N687 T691 K693	N629-F647 WeakPolarHBondContact O-CB 3.44Å; N629-F647 PolarHBondContact O-N 3.27Å; F645-F647 HydrophobicContact CD1-CD2 4.07Å; F645-F647 HydrophobicContact CD1-CE2 4.05Å; F645-F647 AromaticContact CE1-CD2 3.96Å; F645-F647 HydrophobicContact CE1-CD2 3.96Å; F645-F647 HydrophobicContact CE1-CE2 4.05Å; F645-F647 HydrophobicContact CE1-CG 4.33Å; F647-T649 PolarHBondContact O-N 3.49Å; F647-V667 HydrophobicContact CD2-CG2 3.53Å; F647-V667 HydrophobicContact CE2-CG2 3.5Å; F647-V667 VanDerWaalsContact CE2-CG2 3.5Å; F647-V667 HydrophobicContact CG-CG2 4.43Å; F647-V667 HydrophobicContact CZ-CG2 4.37Å; F647-A685 HydrophobicContact CE2-CB 4.19Å; F647-A685 HydrophobicContact CZ-CB 3.82Å; F647-N687 HydrophobicContact CD1-CB 4.27Å; F647-N687 HydrophobicContact CE1-CB 4.49Å; F647-T691 HydrophobicContact CD1-CG2 4.21Å; F647-K693 HydrophobicContact CD1-CD 4.22Å; F647-K693 HydrophobicContact CE1-CB 4.26Å; F647-K693 HydrophobicContact CE1-CD 4.13Å; F647-K693 HydrophobicContact CE1-CG 4.06Å; F647-K693 HydrophobicContact CZ-CB 4.47Å
648	D	86.4	Confident	74.9	Confident	95 Å²	95	79 Å²	79	51%	0.508	41%	0.409	S	S	.	.			trans	-72.3	114.1	171.7	-42.8	-70.8	0	0	0	109.1	V650 K693	D648-V650 PolarHBondContact O-N 2.72Å; D648-K693 WeakPolarHBondContact OD2-CE 3.43Å; D648-K693 IonicContact OD2-NZ 3.67Å; D648-K693 PolarHBondContact OD2-NZ 2.8Å
649	T	74.1	Confident	73.1	Confident	52 Å²	52	86.1 Å²	86.1	32%	0.319	44%	0.44	S	S	.	.			trans	-75.8	101.9	171.3	-69.9	0	0	0	0	108.8	N629 F647 K651 E665	N629-T649 PolarHBondContact ND2-OG1 3.31Å; N629-T649 VanDerWaalsContact ND2-OG1 3.12Å; F647-T649 PolarHBondContact O-N 3.49Å; T649-K651 PolarHBondContact O-N 3.03Å; T649-E665 WeakPolarHBondContact CB-OE2 3.21Å; T649-E665 VanDerWaalsContact CG2-OE2 3.25Å; T649-E665 WeakPolarHBondContact CG2-OE2 3.44Å; T649-E665 PolarHBondContact OG1-OE2 3.12Å
650	V	65.3	Low	71.2	Confident	99 Å²	99	91.3 Å²	91.3	60%	0.6	46%	0.461	S	S	*	.			trans	-74.3	109.4	179.3	-176.5	0	0	0	0	109.2	D648 S652	D648-V650 PolarHBondContact O-N 2.72Å; V650-S652 PolarHBondContact O-N 2.64Å
651	K	56.7	Low	69.2	Low	140 Å²	140	95 Å²	95	61%	0.609	48%	0.484	S	S	*	.			trans	-76.3	117.8	175.4	-63.1	-173.1	-178.6	-176.4	0	110	T649 E660	T649-K651 PolarHBondContact O-N 3.03Å; K651-E660 WeakPolarHBondContact CE-OE1 3.44Å; K651-E660 IonicContact NZ-OE1 2.66Å; K651-E660 PolarHBondContact NZ-OE1 3.35Å
652	S	54.2	Low	67.3	Low	54 Å²	54	98 Å²	98	38%	0.378	50%	0.498	S	S	.	.			trans	-61.1	143.6	171.2	-177	0	0	0	0	110.6	V650 L654 D655	V650-S652 PolarHBondContact O-N 2.64Å; S652-L654 PolarHBondContact O-N 3.2Å; S652-L654 VanDerWaalsContact O-N 3.08Å; S652-L654 PolarHBondContact OG-N 3.32Å; S652-D655 VanDerWaalsContact CB-OD2 3.27Å; S652-D655 WeakPolarHBondContact CB-OD2 3.46Å; S652-D655 PolarHBondContact O-N 3.1Å
653	V	50.7	Low	65.8	Low	119 Å²	119	100.3 Å²	100.3	72%	0.721	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.4	175.7	-179	0	0	0	0	111.9
654	L	54.7	Low	65.2	Low	155 Å²	155	105.6 Å²	105.6	81%	0.812	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-14.7	176.4	-58.5	175.9	0	0	0	114	S652 K656	S652-L654 PolarHBondContact O-N 3.2Å; S652-L654 VanDerWaalsContact O-N 3.08Å; S652-L654 PolarHBondContact OG-N 3.32Å; L654-K656 PolarHBondContact O-N 2.9Å
655	D	55.3	Low	65	Low	66 Å²	66	103.5 Å²	103.5	35%	0.353	53%	0.527	S	S	.	.			trans	-96.7	23.1	-173.3	-78	-44.2	0	0	0	113.7	S652 D657 K658	S652-D655 VanDerWaalsContact CB-OD2 3.27Å; S652-D655 WeakPolarHBondContact CB-OD2 3.46Å; S652-D655 PolarHBondContact O-N 3.1Å; D655-D657 PolarHBondContact O-N 2.83Å; D655-K658 HydrophobicContact CB-CD 4.29Å; D655-K658 PolarHBondContact O-N 3.05Å; D655-K658 WeakPolarHBondContact OD1-CD 3.36Å; D655-K658 WeakPolarHBondContact OD1-CE 3.4Å; D655-K658 IonicContact OD1-NZ 2.66Å; D655-K658 PolarHBondContact OD1-NZ 3.02Å; D655-K658 IonicContact OD2-NZ 3.83Å
656	K	52.2	Low	65	Low	169 Å²	169	103.2 Å²	103.2	74%	0.735	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.3	-175.2	-72.3	-176.6	179.6	-178.2	0	115	L654	L654-K656 PolarHBondContact O-N 2.9Å
657	D	53.8	Low	65.1	Low	161 Å²	161	96.5 Å²	96.5	86%	0.861	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	1	-175.9	-57.4	-46.2	0	0	0	113.9	D655	D655-D657 PolarHBondContact O-N 2.83Å
658	K	52.1	Low	65.3	Low	131 Å²	131	96.5 Å²	96.5	57%	0.57	50%	0.497	S	S	*	.			trans	-84.1	137.7	174	-74	179.2	-177.4	156.9	0	111.3	D655	D655-K658 HydrophobicContact CB-CD 4.29Å; D655-K658 PolarHBondContact O-N 3.05Å; D655-K658 WeakPolarHBondContact OD1-CD 3.36Å; D655-K658 WeakPolarHBondContact OD1-CE 3.4Å; D655-K658 IonicContact OD1-NZ 2.66Å; D655-K658 PolarHBondContact OD1-NZ 3.02Å; D655-K658 IonicContact OD2-NZ 3.83Å
659	K	50.8	Low	65.8	Low	150 Å²	150	92 Å²	92	65%	0.652	47%	0.473	S	S	*	.			trans	-76.4	151.5	172.3	-66.1	-179.8	179	179.5	0	110.4	D661 D662	K659-D661 PolarHBondContact O-N 2.89Å; K659-D662 PolarHBondContact O-N 2.69Å; K659-D662 VanDerWaalsContact O-N 3.13Å
660	E	48.5	Very low	66.9	Low	141 Å²	141	90 Å²	90	66%	0.659	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.5	178.9	-61.5	-171.6	145.2	0	0	113.2	K651 T663	K651-E660 WeakPolarHBondContact CE-OE1 3.44Å; K651-E660 IonicContact NZ-OE1 2.66Å; K651-E660 PolarHBondContact NZ-OE1 3.35Å; E660-T663 PolarHBondContact O-OG1 2.59Å
661	D	47.3	Very low	68.4	Low	149 Å²	149	85.6 Å²	85.6	80%	0.797	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-18.7	174.7	-61.4	-52.5	0	0	0	113.8	K659	K659-D661 PolarHBondContact O-N 2.89Å
662	D	51	Low	70.3	Confident	104 Å²	104	79.5 Å²	79.5	56%	0.556	41%	0.407	S	S	*	.	S	Bend	trans	-84.2	-18.9	-178.4	-73.8	-56.1	0	0	0	113	K659 N664	K659-D662 PolarHBondContact O-N 2.69Å; K659-D662 VanDerWaalsContact O-N 3.13Å; D662-N664 PolarHBondContact O-N 3.08Å; D662-N664 PolarHBondContact O-ND2 3.01Å
663	T	60.4	Low	72.2	Confident	60 Å²	60	78.9 Å²	78.9	37%	0.368	40%	0.397	S	S	.	.			trans	-74.7	85.6	179.7	32.5	0	0	0	0	112.3	E660 E665	E660-T663 PolarHBondContact O-OG1 2.59Å; T663-E665 PolarHBondContact O-N 3.2Å
664	N	79.2	Confident	73.8	Confident	135 Å²	135	75.8 Å²	75.8	72%	0.722	38%	0.384	S	S	*	.			trans	-71.4	62.5	176.1	-77.4	-105.7	0	0	0	112.2	D662	D662-N664 PolarHBondContact O-N 3.08Å; D662-N664 PolarHBondContact O-ND2 3.01Å
665	E	90	Very high	75	Confident	22 Å²	22	70.8 Å²	70.8	10%	0.103	36%	0.358	C	S	.	.			trans	-97.4	130.4	-172.9	-69.1	176.4	-172.8	0	0	113.2	E627 N629 T649 T663 S688 Q689	E627-E665 CarbonylContact C-O 3.6Å; N629-E665 HydrophobicContact CB-CB 3.91Å; N629-E665 PolarHBondContact N-O 3.25Å; N629-E665 PolarHBondContact ND2-OE2 3.14Å; T649-E665 WeakPolarHBondContact CB-OE2 3.21Å; T649-E665 VanDerWaalsContact CG2-OE2 3.25Å; T649-E665 WeakPolarHBondContact CG2-OE2 3.44Å; T649-E665 PolarHBondContact OG1-OE2 3.12Å; T663-E665 PolarHBondContact O-N 3.2Å; E665-S688 WeakPolarHBondContact CA-OG 3.27Å; E665-Q689 VanDerWaalsContact CD-NE2 3.32Å; E665-Q689 HydrophobicContact CG-CG 4.23Å; E665-Q689 PolarHBondContact OE1-NE2 3.38Å; E665-Q689 PolarHBondContact OE2-NE2 2.95Å
666	F	94.8	Very high	75.8	Confident	22 Å²	22	73 Å²	73	10%	0.096	38%	0.375	C	S	.	.			trans	-135.3	144.2	-177.7	63.8	-84.6	0	0	0	111.6	I390 N611 V613 S626 E627 S668 N687 S688	I390-F666 HydrophobicContact CD1-CZ 4.31Å; I390-F666 HydrophobicContact CG2-CZ 4.29Å; N611-F666 HydrophobicContact CB-CD1 4.42Å; N611-F666 HydrophobicContact CB-CD2 3.83Å; N611-F666 HydrophobicContact CB-CE1 4.39Å; N611-F666 HydrophobicContact CB-CE2 3.79Å; N611-F666 HydrophobicContact CB-CG 4.16Å; N611-F666 HydrophobicContact CB-CZ 4.09Å; V613-F666 HydrophobicContact CG1-CD2 4.38Å; S626-F666 WeakPolarHBondContact O-CA 3.43Å; E627-F666 HydrophobicContact CB-CB 4.4Å; E627-F666 HydrophobicContact CG-CB 4.16Å; F666-S668 PolarHBondContact O-N 2.75Å; F666-N687 CarbonylContact O-C 3.58Å; F666-N687 VanDerWaalsContact O-CA 3.31Å; F666-N687 WeakPolarHBondContact O-CA 3.35Å; F666-N687 WeakPolarHBondContact O-CB 3.47Å; F666-S688 PolarHBondContact N-OG 2.65Å; F666-S688 VanDerWaalsContact N-OG 3.1Å; F666-S688 PolarHBondContact O-N 3.36Å; F666-S688 PolarHBondContact O-OG 2.87Å
667	V	96.9	Very high	76.4	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.2	164.6	172.2	0	0	0	0	107.4	V613 G625 S626 F647 V670 N687	V613-V667 CarbonylContact C-O 3.54Å; V613-V667 WeakPolarHBondContact CA-O 3.24Å; V613-V667 VanDerWaalsContact CB-O 3.28Å; V613-V667 WeakPolarHBondContact CB-O 3.25Å; G625-V667 VanDerWaalsContact CA-CG1 3.49Å; S626-V667 PolarHBondContact O-N 2.82Å; S626-V667 VanDerWaalsContact O-N 3.14Å; F647-V667 HydrophobicContact CD2-CG2 3.53Å; F647-V667 HydrophobicContact CE2-CG2 3.5Å; F647-V667 VanDerWaalsContact CE2-CG2 3.5Å; F647-V667 HydrophobicContact CG-CG2 4.43Å; F647-V667 HydrophobicContact CZ-CG2 4.37Å; V667-V670 HydrophobicContact CG1-CG1 3.84Å; V667-N687 HydrophobicContact CG2-CB 4.45Å
668	S	96.6	Very high	76.7	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.014	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-25.9	-164.9	61.2	0	0	0	0	114	V391 V613 G614 F666 A686 N687	V391-S668 VanDerWaalsContact O-CB 3.26Å; V391-S668 WeakPolarHBondContact O-CB 3.3Å; V391-S668 PolarHBondContact O-OG 3.3Å; V613-S668 CarbonylContact C-O 3.57Å; G614-S668 PolarHBondContact N-O 2.75Å; F666-S668 PolarHBondContact O-N 2.75Å; S668-A686 PolarHBondContact N-O 3.46Å; S668-A686 PolarHBondContact OG-O 3.18Å; S668-N687 PolarHBondContact OG-O 3Å
669	A	97.6	Very high	77.3	Confident	2 Å²	2	66.5 Å²	66.5	2%	0.017	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	142.6	175.9	0	0	0	0	0	111.4	V391 I394 A685 A686	V391-A669 HydrophobicContact CB-CB 4.49Å; V391-A669 HydrophobicContact CG1-CB 3.74Å; I394-A669 HydrophobicContact CD1-CB 3.98Å; I394-A669 HydrophobicContact CG1-CB 3.92Å; A669-A685 CarbonylContact O-C 3.59Å; A669-A685 WeakPolarHBondContact O-CA 3.24Å; A669-A686 PolarHBondContact N-O 3.01Å; A669-A686 PolarHBondContact O-N 3.11Å
670	V	97.7	Very high	78.6	Confident	9 Å²	9	59.8 Å²	59.8	6%	0.055	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	141.5	177.6	-54.9	0	0	0	0	109.8	A616 L631 V667 I684 A685	A616-V670 HydrophobicContact CB-CG2 3.94Å; L631-V670 HydrophobicContact CD1-CB 4.34Å; L631-V670 HydrophobicContact CD1-CG1 3.47Å; L631-V670 VanDerWaalsContact CD1-CG1 3.47Å; V667-V670 HydrophobicContact CG1-CG1 3.84Å; V670-I684 CarbonylContact C-O 3.57Å; V670-I684 WeakPolarHBondContact CA-O 3.42Å; V670-A685 HydrophobicContact CG1-CB 4.01Å
671	C	96.9	Very high	80.6	Confident	7 Å²	7	55.6 Å²	55.6	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	141	176.6	-175	0	0	0	0	110.6	I394 E395 L683 I684	I394-C671 HydrophobicContact CB-CB 4.12Å; I394-C671 HydrophobicContact CG2-CB 4.02Å; I394-C671 WeakPolarHBondContact O-CB 3.4Å; E395-C671 PolarHBondContact OE2-SG 2.69Å; C671-L683 CarbonylContact O-C 3.51Å; C671-L683 VanDerWaalsContact O-CA 3.29Å; C671-L683 WeakPolarHBondContact O-CA 3.27Å; C671-L683 VanDerWaalsContact O-CB 3.32Å; C671-L683 WeakPolarHBondContact O-CB 3.4Å; C671-I684 PolarHBondContact N-O 2.78Å; C671-I684 PolarHBondContact O-N 3.33Å
672	W	95.6	Very high	82.9	Confident	11 Å²	11	49.1 Å²	49.1	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	143.2	172.8	-70.4	98.2	0	0	0	110.7	A616 S617 N618 A623 L633 A674 L683 L697	A616-W672 VanDerWaalsContact C-CD1 3.47Å; A616-W672 VanDerWaalsContact CB-CD1 3.48Å; A616-W672 HydrophobicContact CB-CG 4.5Å; A616-W672 PolarHBondContact O-NE1 2.61Å; S617-W672 VanDerWaalsContact C-CD1 3.41Å; N618-W672 HydrophobicContact CB-CB 3.81Å; N618-W672 HydrophobicContact CB-CD2 3.51Å; N618-W672 HydrophobicContact CB-CE3 3.93Å; N618-W672 HydrophobicContact CB-CG 3.47Å; N618-W672 VanDerWaalsContact CB-CG 3.47Å; A623-W672 HydrophobicContact CB-CZ2 4.08Å; L633-W672 HydrophobicContact CD1-CH2 3.72Å; L633-W672 HydrophobicContact CD1-CZ2 3.61Å; W672-A674 PolarHBondContact O-N 3.34Å; W672-L683 HydrophobicContact CD2-CB 4.06Å; W672-L683 HydrophobicContact CD2-CD2 4.26Å; W672-L683 HydrophobicContact CE3-CB 3.9Å; W672-L683 HydrophobicContact CE3-CD2 4.08Å; W672-L683 HydrophobicContact CG-CB 4.42Å; W672-L683 HydrophobicContact CH2-CD2 3.97Å; W672-L683 HydrophobicContact CZ2-CD2 4.12Å; W672-L683 HydrophobicContact CZ3-CB 4.5Å; W672-L683 HydrophobicContact CZ3-CD2 3.93Å; W672-L697 HydrophobicContact CH2-CD1 3.54Å; W672-L697 HydrophobicContact CZ3-CD1 3.73Å
673	R	94	Very high	85	Confident	42 Å²	42	44.3 Å²	44.3	16%	0.158	26%	0.256	C	S	.	.			trans	-79.4	73.7	168.6	-169.7	174.8	178.9	-112.5	-6.1	109.4	F396 C400 Y417 L675 S680 V682	F396-R673 HydrophobicContact CD1-CG 4.11Å; F396-R673 HydrophobicContact CD2-CB 4.16Å; F396-R673 HydrophobicContact CD2-CG 4.4Å; F396-R673 HydrophobicContact CE1-CB 4.14Å; F396-R673 HydrophobicContact CE1-CG 3.66Å; F396-R673 HydrophobicContact CE2-CB 3.56Å; F396-R673 HydrophobicContact CE2-CG 4Å; F396-R673 HydrophobicContact CG-CG 4.46Å; F396-R673 HydrophobicContact CZ-CB 3.54Å; F396-R673 HydrophobicContact CZ-CG 3.6Å; C400-R673 HydrophobicContact CB-CG 3.72Å; C400-R673 VanDerWaalsContact O-CZ 3.31Å; C400-R673 PolarHBondContact O-NE 3.49Å; C400-R673 PolarHBondContact O-NH2 2.79Å; Y417-R673 VanDerWaalsContact CD1-CZ 3.42Å; Y417-R673 VanDerWaalsContact CD1-NE 3.33Å; R673-L675 PolarHBondContact O-N 3.02Å; R673-S680 WeakPolarHBondContact O-CB 3.49Å; R673-S680 PolarHBondContact O-OG 2.61Å; R673-V682 HydrophobicContact CB-CB 4.34Å; R673-V682 HydrophobicContact CB-CG1 4.42Å; R673-V682 PolarHBondContact N-O 2.97Å
674	A	84.6	Confident	86.8	Confident	53 Å²	53	41.4 Å²	41.4	44%	0.438	24%	0.238	S	C	.	.			trans	-73	89.2	-173.3	0	0	0	0	0	111.8	W672	W672-A674 PolarHBondContact O-N 3.34Å
675	L	80.6	Confident	87.7	Confident	51 Å²	51	35 Å²	35	27%	0.267	20%	0.204	S	C	.	.			trans	-64.7	146.2	176.6	-65.7	176.1	0	0	0	111.6	C400 R673 D677 G678	C400-L675 HydrophobicContact CB-CD2 4.06Å; R673-L675 PolarHBondContact O-N 3.02Å; L675-D677 PolarHBondContact O-N 2.95Å; L675-D677 VanDerWaalsContact O-N 3.15Å; L675-G678 PolarHBondContact O-N 2.83Å
676	P	70.4	Confident	88	Confident	111 Å²	111	34 Å²	34	72%	0.721	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.7	178.8	-28	35.9	0	0	0	114.6	G678	P676-G678 PolarHBondContact O-N 3.36Å
677	D	66.7	Low	88	Confident	153 Å²	153	32.9 Å²	32.9	82%	0.818	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	5.6	178.8	-56.9	-35.2	0	0	0	113.6	L675 E679	L675-D677 PolarHBondContact O-N 2.95Å; L675-D677 VanDerWaalsContact O-N 3.15Å; D677-E679 PolarHBondContact O-N 3.12Å
678	G	58.4	Low	87.8	Confident	46 Å²	46	33.7 Å²	33.7	47%	0.474	20%	0.2	S	C	.	.	S	Bend	trans	78	-31.7	170.1	0	0	0	0	0	116.2	L675 P676 S680	L675-G678 PolarHBondContact O-N 2.83Å; P676-G678 PolarHBondContact O-N 3.36Å; G678-S680 PolarHBondContact O-N 2.8Å
679	E	64.8	Low	87.4	Confident	127 Å²	127	35.8 Å²	35.8	59%	0.593	21%	0.209	S	C	*	.			trans	-87.2	98.9	177.3	-67.3	-116.5	140.6	0	0	111.2	R368 D677	R368-E679 IonicContact CZ-OE1 3.54Å; R368-E679 IonicContact CZ-OE2 2.66Å; R368-E679 VanDerWaalsContact NH1-CD 3.33Å; R368-E679 IonicContact NH1-OE1 3.77Å; R368-E679 PolarHBondContact NH1-OE1 3.39Å; R368-E679 IonicContact NH1-OE2 2.97Å; R368-E679 PolarHBondContact NH1-OE2 2.73Å; R368-E679 VanDerWaalsContact NH2-CD 3.31Å; R368-E679 IonicContact NH2-OE1 2.68Å; R368-E679 PolarHBondContact NH2-OE1 2.79Å; R368-E679 IonicContact NH2-OE2 2.95Å; R368-E679 PolarHBondContact NH2-OE2 3.18Å; D677-E679 PolarHBondContact O-N 3.12Å
680	S	79.5	Confident	87.1	Confident	8 Å²	8	35.7 Å²	35.7	6%	0.056	21%	0.209	C	C	.	.			trans	-131.2	124.4	167.8	-178.4	0	0	0	0	111.8	N618 R673 G678 V682	N618-S680 PolarHBondContact ND2-O 2.76Å; R673-S680 WeakPolarHBondContact O-CB 3.49Å; R673-S680 PolarHBondContact O-OG 2.61Å; G678-S680 PolarHBondContact O-N 2.8Å; S680-V682 VanDerWaalsContact C-N 3.35Å; S680-V682 PolarHBondContact OG-N 2.88Å
681	N	90.6	Very high	86.9	Confident	53 Å²	53	36.3 Å²	36.3	28%	0.283	21%	0.212	S	C	.	.			trans	-90	0.8	176.3	-58.6	7.6	0	0	0	112.1	R368 Y369 L697	R368-N681 PolarHBondContact NH2-OD1 3.43Å; Y369-N681 HydrophobicContact CE1-CB 4.18Å; Y369-N681 PolarHBondContact OH-OD1 3.22Å; N681-L697 HydrophobicContact CB-CB 4.34Å; N681-L697 PolarHBondContact ND2-O 3.14Å; N681-L697 WeakPolarHBondContact O-CB 3.3Å; N681-L697 WeakPolarHBondContact O-CG 3.27Å; N681-L697 PolarHBondContact O-N 3.42Å
682	V	94.5	Very high	86.7	Confident	13 Å²	13	36 Å²	36	8%	0.079	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.5	-169.4	-179.8	0	0	0	0	112.4	L375 Y417 R673 S680 V694 L695 E696	L375-V682 HydrophobicContact CD1-CG2 4.44Å; Y417-V682 HydrophobicContact CE2-CG1 4.22Å; R673-V682 HydrophobicContact CB-CB 4.34Å; R673-V682 HydrophobicContact CB-CG1 4.42Å; R673-V682 PolarHBondContact N-O 2.97Å; S680-V682 VanDerWaalsContact C-N 3.35Å; S680-V682 PolarHBondContact OG-N 2.88Å; V682-V694 HydrophobicContact CG1-CG1 3.88Å; V682-L695 WeakPolarHBondContact CA-O 3.02Å; V682-E696 HydrophobicContact CG2-CB 4.41Å
683	L	95.9	Very high	86.7	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	160.4	171.9	62.6	86.7	0	0	0	110.8	A623 L631 C671 W672 A685 L695	A623-L683 HydrophobicContact CB-CD2 4.26Å; L631-L683 HydrophobicContact CD2-CD1 3.57Å; L631-L683 HydrophobicContact CD2-CD2 4.3Å; C671-L683 CarbonylContact O-C 3.51Å; C671-L683 VanDerWaalsContact O-CA 3.29Å; C671-L683 WeakPolarHBondContact O-CA 3.27Å; C671-L683 VanDerWaalsContact O-CB 3.32Å; C671-L683 WeakPolarHBondContact O-CB 3.4Å; W672-L683 HydrophobicContact CD2-CB 4.06Å; W672-L683 HydrophobicContact CD2-CD2 4.26Å; W672-L683 HydrophobicContact CE3-CB 3.9Å; W672-L683 HydrophobicContact CE3-CD2 4.08Å; W672-L683 HydrophobicContact CG-CB 4.42Å; W672-L683 HydrophobicContact CH2-CD2 3.97Å; W672-L683 HydrophobicContact CZ2-CD2 4.12Å; W672-L683 HydrophobicContact CZ3-CB 4.5Å; W672-L683 HydrophobicContact CZ3-CD2 3.93Å; L683-A685 HydrophobicContact CD1-CB 4.28Å; L683-L695 HydrophobicContact CD1-CB 3.87Å; L683-L695 HydrophobicContact CD1-CD1 3.92Å; L683-L695 HydrophobicContact CD1-CG 4.34Å; L683-L695 HydrophobicContact CG-CB 4.31Å; L683-L695 PolarHBondContact N-O 2.66Å; L683-L695 PolarHBondContact O-N 3.2Å
684	I	97.4	Very high	86.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.7	169.4	-53.2	-175	0	0	0	107.9	I394 F396 F403 V670 C671 I692 K693 V694	I394-I684 HydrophobicContact CD1-CG2 3.99Å; I394-I684 HydrophobicContact CG2-CB 4.39Å; I394-I684 HydrophobicContact CG2-CG2 4.39Å; F396-I684 HydrophobicContact CE1-CD1 4.27Å; F396-I684 HydrophobicContact CE2-CD1 3.84Å; F396-I684 HydrophobicContact CE2-CG1 3.93Å; F396-I684 HydrophobicContact CZ-CD1 3.44Å; F396-I684 VanDerWaalsContact CZ-CD1 3.44Å; F396-I684 HydrophobicContact CZ-CG1 3.83Å; F403-I684 HydrophobicContact CB-CD1 4.23Å; F403-I684 HydrophobicContact CD1-CD1 3.59Å; F403-I684 HydrophobicContact CD2-CD1 3.83Å; F403-I684 HydrophobicContact CE1-CD1 3.78Å; F403-I684 HydrophobicContact CE2-CD1 4.02Å; F403-I684 HydrophobicContact CG-CD1 3.61Å; F403-I684 HydrophobicContact CZ-CD1 3.98Å; V670-I684 CarbonylContact C-O 3.57Å; V670-I684 WeakPolarHBondContact CA-O 3.42Å; C671-I684 PolarHBondContact N-O 2.78Å; C671-I684 PolarHBondContact O-N 3.33Å; I684-I692 HydrophobicContact CG2-CG2 3.51Å; I684-K693 WeakPolarHBondContact CA-O 3.24Å; I684-V694 HydrophobicContact CD1-CG2 4.23Å; I684-V694 HydrophobicContact CG1-CG1 4.47Å; I684-V694 HydrophobicContact CG1-CG2 4.17Å
685	A	97.8	Very high	87.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.1	174	0	0	0	0	0	110.4	L631 F647 A669 V670 L683 I692 K693 L695	L631-A685 HydrophobicContact CD1-CB 4.18Å; L631-A685 HydrophobicContact CD2-CB 4.3Å; F647-A685 HydrophobicContact CE2-CB 4.19Å; F647-A685 HydrophobicContact CZ-CB 3.82Å; A669-A685 CarbonylContact O-C 3.59Å; A669-A685 WeakPolarHBondContact O-CA 3.24Å; V670-A685 HydrophobicContact CG1-CB 4.01Å; L683-A685 HydrophobicContact CD1-CB 4.28Å; A685-I692 CarbonylContact O-C 3.57Å; A685-I692 WeakPolarHBondContact O-CA 3.33Å; A685-K693 PolarHBondContact N-O 3.47Å; A685-K693 PolarHBondContact O-N 3.17Å; A685-L695 HydrophobicContact CB-CD1 4.23Å
686	A	96.6	Very high	87.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155.6	174.8	0	0	0	0	0	112.2	V391 I394 S668 A669 T691 I692	V391-A686 HydrophobicContact CB-CB 3.84Å; V391-A686 HydrophobicContact CG1-CB 4.02Å; V391-A686 HydrophobicContact CG2-CB 3.93Å; I394-A686 HydrophobicContact CD1-CB 3.82Å; S668-A686 PolarHBondContact N-O 3.46Å; S668-A686 PolarHBondContact OG-O 3.18Å; A669-A686 PolarHBondContact N-O 3.01Å; A669-A686 PolarHBondContact O-N 3.11Å; A686-T691 VanDerWaalsContact CA-O 3.22Å; A686-T691 WeakPolarHBondContact CA-O 3.34Å; A686-I692 HydrophobicContact CB-CB 4.18Å; A686-I692 HydrophobicContact CB-CG1 3.7Å; A686-I692 HydrophobicContact CB-CG2 4.38Å
687	N	94.7	Very high	89	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	177.8	-176.9	79.9	-3.4	0	0	0	114.1	N629 F647 F666 V667 S668 Q689 G690 T691	N629-N687 WeakPolarHBondContact OD1-CB 3.31Å; N629-N687 PolarHBondContact OD1-ND2 3.43Å; F647-N687 HydrophobicContact CD1-CB 4.27Å; F647-N687 HydrophobicContact CE1-CB 4.49Å; F666-N687 CarbonylContact O-C 3.58Å; F666-N687 VanDerWaalsContact O-CA 3.31Å; F666-N687 WeakPolarHBondContact O-CA 3.35Å; F666-N687 WeakPolarHBondContact O-CB 3.47Å; V667-N687 HydrophobicContact CG2-CB 4.45Å; S668-N687 PolarHBondContact OG-O 3Å; N687-Q689 PolarHBondContact O-N 3.13Å; N687-Q689 WeakPolarHBondContact OD1-CB 3.41Å; N687-Q689 PolarHBondContact OD1-N 3.21Å; N687-Q689 VanDerWaalsContact OD1-N 3.09Å; N687-G690 WeakPolarHBondContact O-CA 3.4Å; N687-G690 PolarHBondContact O-N 2.88Å; N687-G690 PolarHBondContact OD1-N 2.96Å; N687-T691 PolarHBondContact N-O 2.93Å; N687-T691 WeakPolarHBondContact OD1-CB 3.36Å; N687-T691 PolarHBondContact OD1-N 3.17Å; N687-T691 PolarHBondContact OD1-O 3.06Å
688	S	92.5	Very high	89.8	Confident	16 Å²	16	23.3 Å²	23.3	11%	0.112	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.9	-179.9	59.3	0	0	0	0	114.8	I390 E665 F666	I390-S688 WeakPolarHBondContact CG1-O 3.35Å; E665-S688 WeakPolarHBondContact CA-OG 3.27Å; F666-S688 PolarHBondContact N-OG 2.65Å; F666-S688 VanDerWaalsContact N-OG 3.1Å; F666-S688 PolarHBondContact O-N 3.36Å; F666-S688 PolarHBondContact O-OG 2.87Å
689	Q	89.8	Confident	91.4	Very high	47 Å²	47	22.2 Å²	22.2	22%	0.22	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.8	169.6	-59.6	-169.9	-34.7	0	0	112.4	S389 E665 N687 T691	S389-Q689 WeakPolarHBondContact CB-O 3.49Å; S389-Q689 PolarHBondContact OG-O 2.72Å; E665-Q689 VanDerWaalsContact CD-NE2 3.32Å; E665-Q689 HydrophobicContact CG-CG 4.23Å; E665-Q689 PolarHBondContact OE1-NE2 3.38Å; E665-Q689 PolarHBondContact OE2-NE2 2.95Å; N687-Q689 PolarHBondContact O-N 3.13Å; N687-Q689 WeakPolarHBondContact OD1-CB 3.41Å; N687-Q689 PolarHBondContact OD1-N 3.21Å; N687-Q689 VanDerWaalsContact OD1-N 3.09Å; Q689-T691 VanDerWaalsContact C-N 3.33Å
690	G	90.7	Very high	92.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.092	C	C	.	.			trans	82.6	9.3	-171.4	0	0	0	0	0	113.9	Y380 S389 N687 I692	Y380-G690 VanDerWaalsContact CB-O 3.32Å; Y380-G690 WeakPolarHBondContact CB-O 3.37Å; Y380-G690 PolarHBondContact N-O 2.76Å; S389-G690 WeakPolarHBondContact O-CA 3.16Å; S389-G690 PolarHBondContact O-N 2.92Å; N687-G690 WeakPolarHBondContact O-CA 3.4Å; N687-G690 PolarHBondContact O-N 2.88Å; N687-G690 PolarHBondContact OD1-N 2.96Å; G690-I692 PolarHBondContact O-N 2.93Å
691	T	92.3	Very high	93.6	Very high	22 Å²	22	17.2 Å²	17.2	14%	0.135	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	121.2	171.6	-57.6	0	0	0	0	108.6	T377 F647 A686 N687 Q689	T377-T691 HydrophobicContact CG2-CG2 4.05Å; F647-T691 HydrophobicContact CD1-CG2 4.21Å; A686-T691 VanDerWaalsContact CA-O 3.22Å; A686-T691 WeakPolarHBondContact CA-O 3.34Å; N687-T691 PolarHBondContact N-O 2.93Å; N687-T691 WeakPolarHBondContact OD1-CB 3.36Å; N687-T691 PolarHBondContact OD1-N 3.17Å; N687-T691 PolarHBondContact OD1-O 3.06Å; Q689-T691 VanDerWaalsContact C-N 3.33Å
692	I	94.3	Very high	93.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.3	177.8	-54.5	142.2	0	0	0	107.7	T377 L378 V391 I405 I684 A685 A686 G690	T377-I692 CarbonylContact C-O 3.6Å; T377-I692 VanDerWaalsContact CA-O 3.32Å; T377-I692 WeakPolarHBondContact CA-O 3.45Å; L378-I692 HydrophobicContact CB-CB 4.14Å; L378-I692 HydrophobicContact CB-CD1 4Å; L378-I692 HydrophobicContact CD1-CB 4.13Å; L378-I692 HydrophobicContact CD1-CG2 3.83Å; L378-I692 PolarHBondContact N-O 2.61Å; L378-I692 PolarHBondContact O-N 2.91Å; V391-I692 HydrophobicContact CG2-CG1 4.36Å; I405-I692 HydrophobicContact CD1-CD1 3.48Å; I405-I692 VanDerWaalsContact CD1-CD1 3.48Å; I405-I692 HydrophobicContact CD1-CG1 3.92Å; I405-I692 HydrophobicContact CD1-CG2 3.92Å; I405-I692 HydrophobicContact CG2-CD1 4.44Å; I684-I692 HydrophobicContact CG2-CG2 3.51Å; A685-I692 CarbonylContact O-C 3.57Å; A685-I692 WeakPolarHBondContact O-CA 3.33Å; A686-I692 HydrophobicContact CB-CB 4.18Å; A686-I692 HydrophobicContact CB-CG1 3.7Å; A686-I692 HydrophobicContact CB-CG2 4.38Å; G690-I692 PolarHBondContact O-N 2.93Å
693	K	94.8	Very high	93.7	Very high	14 Å²	14	15.2 Å²	15.2	6%	0.061	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.3	171.5	-68.6	-178.5	-176.2	-83.1	0	111	A376 T377 F645 F647 D648 I684 A685 L695	A376-K693 WeakPolarHBondContact O-CA 3.42Å; T377-K693 HydrophobicContact CG2-CG 4.06Å; T377-K693 PolarHBondContact OG1-NZ 2.93Å; T377-K693 VanDerWaalsContact OG1-NZ 3.15Å; F645-K693 HydrophobicContact CE1-CD 3.77Å; F645-K693 HydrophobicContact CZ-CD 3.65Å; F647-K693 HydrophobicContact CD1-CD 4.22Å; F647-K693 HydrophobicContact CE1-CB 4.26Å; F647-K693 HydrophobicContact CE1-CD 4.13Å; F647-K693 HydrophobicContact CE1-CG 4.06Å; F647-K693 HydrophobicContact CZ-CB 4.47Å; D648-K693 WeakPolarHBondContact OD2-CE 3.43Å; D648-K693 IonicContact OD2-NZ 3.67Å; D648-K693 PolarHBondContact OD2-NZ 2.8Å; I684-K693 WeakPolarHBondContact CA-O 3.24Å; A685-K693 PolarHBondContact N-O 3.47Å; A685-K693 PolarHBondContact O-N 3.17Å; K693-L695 HydrophobicContact CB-CD2 3.85Å; K693-L695 HydrophobicContact CB-CG 4.15Å
694	V	95.3	Very high	93.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.7	166.2	-175	0	0	0	0	107.1	L375 A376 L378 Y417 V420 I421 V682 I684	L375-V694 HydrophobicContact CB-CB 4.32Å; L375-V694 HydrophobicContact CB-CG1 4.2Å; L375-V694 HydrophobicContact CD1-CG1 4.22Å; L375-V694 PolarHBondContact N-O 3.41Å; A376-V694 HydrophobicContact CB-CB 4.21Å; A376-V694 HydrophobicContact CB-CG2 4.07Å; A376-V694 PolarHBondContact O-N 3.08Å; L378-V694 HydrophobicContact CD1-CG2 4.19Å; Y417-V694 HydrophobicContact CE2-CG1 3.95Å; V420-V694 HydrophobicContact CG1-CG2 4Å; I421-V694 HydrophobicContact CG2-CG1 4.26Å; V682-V694 HydrophobicContact CG1-CG1 3.88Å; I684-V694 HydrophobicContact CD1-CG2 4.23Å; I684-V694 HydrophobicContact CG1-CG1 4.47Å; I684-V694 HydrophobicContact CG1-CG2 4.17Å
695	L	95.6	Very high	93.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.6	-168.9	-60	176.7	0	0	0	110.6	V372 R373 P374 L631 F645 V682 L683 A685 K693	V372-L695 HydrophobicContact CG1-CB 3.85Å; V372-L695 HydrophobicContact CG1-CD1 4.3Å; V372-L695 HydrophobicContact CG1-CD2 4.23Å; V372-L695 HydrophobicContact CG1-CG 4.34Å; R373-L695 WeakPolarHBondContact O-CA 3.31Å; P374-L695 HydrophobicContact CB-CD2 4.08Å; L631-L695 HydrophobicContact CD2-CD1 3.68Å; F645-L695 HydrophobicContact CD1-CD1 3.75Å; F645-L695 HydrophobicContact CD1-CD2 4.24Å; F645-L695 HydrophobicContact CD2-CD2 4.2Å; F645-L695 HydrophobicContact CE1-CD1 4.1Å; F645-L695 HydrophobicContact CE1-CD2 3.94Å; F645-L695 HydrophobicContact CE2-CD2 3.88Å; F645-L695 HydrophobicContact CG-CD1 4.1Å; F645-L695 HydrophobicContact CG-CD2 4.39Å; F645-L695 HydrophobicContact CZ-CD2 3.76Å; V682-L695 WeakPolarHBondContact CA-O 3.02Å; L683-L695 HydrophobicContact CD1-CB 3.87Å; L683-L695 HydrophobicContact CD1-CD1 3.92Å; L683-L695 HydrophobicContact CD1-CG 4.34Å; L683-L695 HydrophobicContact CG-CB 4.31Å; L683-L695 PolarHBondContact N-O 2.66Å; L683-L695 PolarHBondContact O-N 3.2Å; A685-L695 HydrophobicContact CB-CD1 4.23Å; K693-L695 HydrophobicContact CB-CD2 3.85Å; K693-L695 HydrophobicContact CB-CG 4.15Å
696	E	94.3	Very high	92.9	Very high	54 Å²	54	18.5 Å²	18.5	25%	0.252	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138.9	175.4	176.4	-179	-122.3	0	0	110.5	V372 R373 L375 V682 V698	V372-E696 CarbonylContact C-O 3.48Å; V372-E696 WeakPolarHBondContact CA-O 3.42Å; R373-E696 HydrophobicContact CB-CB 4.39Å; R373-E696 WeakPolarHBondContact CD-OE2 3.17Å; R373-E696 PolarHBondContact N-O 3.49Å; R373-E696 IonicContact NH1-OE2 3.42Å; R373-E696 PolarHBondContact O-N 3.3Å; L375-E696 HydrophobicContact CD1-CB 4.03Å; L375-E696 HydrophobicContact CD2-CB 4.03Å; L375-E696 HydrophobicContact CG-CB 3.95Å; V682-E696 HydrophobicContact CG2-CB 4.41Å; E696-V698 HydrophobicContact CG-CG2 3.89Å
697	L	92.3	Very high	92.6	Very high	2 Å²	2	20 Å²	20	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.4	173.1	-57.7	-177.3	0	0	0	111	Y369 V372 L633 L643 W672 N681	Y369-L697 HydrophobicContact CD1-CB 3.56Å; Y369-L697 HydrophobicContact CD2-CB 4Å; Y369-L697 HydrophobicContact CD2-CD1 3.74Å; Y369-L697 HydrophobicContact CE1-CB 3.9Å; Y369-L697 HydrophobicContact CE2-CB 4.29Å; Y369-L697 HydrophobicContact CE2-CD1 3.84Å; Y369-L697 HydrophobicContact CG-CB 3.62Å; Y369-L697 HydrophobicContact CG-CD1 4.22Å; V372-L697 HydrophobicContact CB-CD2 4.41Å; V372-L697 HydrophobicContact CG1-CD2 4.23Å; V372-L697 HydrophobicContact CG2-CD2 3.76Å; L633-L697 HydrophobicContact CD1-CD1 4.28Å; L633-L697 HydrophobicContact CD2-CD1 3.66Å; L633-L697 HydrophobicContact CD2-CD2 4.03Å; L643-L697 HydrophobicContact CD1-CD2 4.45Å; W672-L697 HydrophobicContact CH2-CD1 3.54Å; W672-L697 HydrophobicContact CZ3-CD1 3.73Å; N681-L697 HydrophobicContact CB-CB 4.34Å; N681-L697 PolarHBondContact ND2-O 3.14Å; N681-L697 WeakPolarHBondContact O-CB 3.3Å; N681-L697 WeakPolarHBondContact O-CG 3.27Å; N681-L697 PolarHBondContact O-N 3.42Å
698	V	84.9	Confident	92.4	Very high	85 Å²	85	21.8 Å²	21.8	52%	0.515	12%	0.119	S	C	.	.			trans	-130.6	0	-173	-172.3	0	0	0	0	110.3	N370 T371 R373 E696	N370-V698 CarbonylContact C-O 3.38Å; N370-V698 WeakPolarHBondContact CA-O 3.38Å; N370-V698 PolarHBondContact N-O 3.07Å; T371-V698 PolarHBondContact N-O 2.96Å; T371-V698 PolarHBondContact O-N 3.18Å; T371-V698 PolarHBondContact OG1-O 2.86Å; R373-V698 HydrophobicContact CB-CG2 4.22Å; E696-V698 HydrophobicContact CG-CG2 3.89Å

Retrieved 698 of 698 residues in 326.7 ms (Link to these results)

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