X5D7N8_HUMAN Loading...

E3 ubiquitin-protein ligase COP1

AlphaFold DB , UniProt , Accession X5D7N8, Species HUMAN (Homo sapiens, Human), Gene RFWD2, Length 711 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	30	Very low	35.6	Very low	234 Å²	234	129.8 Å²	129.8	100%	1.153	84%	0.841	S	S	*	*				0	105.4	0	-69.2	160	171.8	0	0	106.3
2	S	33	Very low	35.5	Very low	118 Å²	118	127.8 Å²	127.8	83%	0.825	84%	0.844	S	S	*	*				62	119	75.1	66.2	0	0	0	0	112
3	G	36.4	Very low	35.2	Very low	73 Å²	73	123.5 Å²	123.5	75%	0.753	84%	0.836	S	S	*	*			cis	-167	-156.5	0.4	0	0	0	0	0	108.1
4	S	39.4	Very low	35	Very low	117 Å²	117	125.3 Å²	125.3	82%	0.818	84%	0.841	S	S	*	*			cis	-164.9	169.7	-2.7	-91.3	0	0	0	0	109.8
5	R	44.5	Very low	34.8	Very low	221 Å²	221	124.3 Å²	124.3	83%	0.834	84%	0.837	S	S	*	*			trans	-20.6	162	149.1	-50.4	169.7	178.8	-174.7	-2.5	115.4
6	Q	39.8	Very low	35.8	Very low	168 Å²	168	124.8 Å²	124.8	79%	0.785	84%	0.838	S	S	*	*			cis	-163.7	-174.1	26.1	-140.3	157.4	-96.6	0	0	107
7	A	34.4	Very low	35.5	Very low	90 Å²	90	121.3 Å²	121.3	74%	0.744	83%	0.828	S	S	*	*			cis	-155.8	-161.3	6.2	0	0	0	0	0	109.6
8	G	34.6	Very low	35.2	Very low	73 Å²	73	121.2 Å²	121.2	75%	0.753	83%	0.829	S	S	*	*			trans	-161.5	154.6	164.7	0	0	0	0	0	113.6
9	S	35.7	Very low	34.9	Very low	135 Å²	135	120.9 Å²	120.9	94%	0.944	83%	0.828	S	S	*	*			trans	-172.5	157.9	168	53.9	0	0	0	0	111.5
10	G	29.5	Very low	34.7	Very low	77 Å²	77	120.3 Å²	120.3	79%	0.794	83%	0.831	S	S	*	*			trans	156.7	129.3	175.3	0	0	0	0	0	111.9
11	S	34.4	Very low	34.5	Very low	122 Å²	122	119.2 Å²	119.2	85%	0.853	83%	0.83	S	S	*	*			trans	-158.1	162.9	-167.4	55.5	0	0	0	0	115.8
12	A	35	Very low	34.4	Very low	106 Å²	106	113.3 Å²	113.3	88%	0.876	81%	0.812	S	S	*	*			trans	85.3	144.9	157.3	0	0	0	0	0	121.1
13	G	31.2	Very low	34.3	Very low	71 Å²	71	112.7 Å²	112.7	73%	0.732	81%	0.808	S	S	*	*			trans	92.7	140.6	172	0	0	0	0	0	115.4
14	T	32.8	Very low	34	Very low	149 Å²	149	115.5 Å²	115.5	91%	0.914	81%	0.81	S	S	*	*			cis	-159.1	159.5	-9.2	21.1	0	0	0	0	110.1
15	S	30.9	Very low	33.5	Very low	111 Å²	111	116.1 Å²	116.1	78%	0.776	81%	0.809	S	S	*	*			trans	-78.5	-169.7	178.2	-27.7	0	0	0	0	113.4
16	P	51.7	Low	32.9	Very low	131 Å²	131	111.1 Å²	111.1	85%	0.851	81%	0.808	S	S	*	*			cis	-136.3	-171.2	-15.8	41.5	-24.4	0	0	0	114.3
17	G	29.6	Very low	32.3	Very low	66 Å²	66	108.3 Å²	108.3	68%	0.68	81%	0.814	S	S	*	*			trans	131.8	136.5	141.5	0	0	0	0	0	119.2
18	S	31	Very low	32.2	Very low	119 Å²	119	109.9 Å²	109.9	83%	0.832	82%	0.819	S	S	*	*			trans	49.9	137.8	166.2	53.3	0	0	0	0	120.5
19	S	29.9	Very low	31.9	Very low	116 Å²	116	112.4 Å²	112.4	81%	0.811	83%	0.825	S	S	*	*			cis	95.2	92.1	14	85.7	0	0	0	0	117.9
20	A	29.9	Very low	31.7	Very low	109 Å²	109	111.2 Å²	111.2	90%	0.901	82%	0.817	S	S	*	*			trans	-160.9	146.1	151.2	0	0	0	0	0	110.2
21	A	30.8	Very low	31.8	Very low	98 Å²	98	115.8 Å²	115.8	81%	0.81	82%	0.822	S	S	*	*			trans	-152.9	131.7	177.7	0	0	0	0	0	113.1
22	S	29	Very low	31.6	Very low	109 Å²	109	114.7 Å²	114.7	76%	0.762	81%	0.814	S	S	*	*			trans	-166.7	143.6	162.7	-30.5	0	0	0	0	106.4
23	S	29.4	Very low	31.3	Very low	106 Å²	106	115.4 Å²	115.4	74%	0.741	81%	0.813	S	S	*	*			cis	72.4	142.2	27.5	86.3	0	0	0	0	115.5
24	V	31.2	Very low	31.4	Very low	132 Å²	132	117.7 Å²	117.7	80%	0.8	82%	0.818	S	S	*	*			cis	-94	-109	-2.5	-162.3	0	0	0	0	111.2
25	T	27.7	Very low	32	Very low	130 Å²	130	116.1 Å²	116.1	80%	0.798	81%	0.81	S	S	*	*			cis	-154.5	154.1	-5.2	-45	0	0	0	0	108.7
26	S	31.8	Very low	32	Very low	116 Å²	116	116.3 Å²	116.3	81%	0.811	81%	0.812	S	S	*	*			trans	-104.2	158.5	-176.7	53.4	0	0	0	0	114.4
27	A	27.9	Very low	31.6	Very low	109 Å²	109	115.4 Å²	115.4	90%	0.901	81%	0.806	S	S	*	*			trans	-151.9	139.3	158.5	0	0	0	0	0	110.3
28	S	31.6	Very low	32.1	Very low	122 Å²	122	118.5 Å²	118.5	85%	0.853	81%	0.814	S	S	*	*			trans	-129.4	143.2	176.6	51.4	0	0	0	0	110.1
29	S	30.3	Very low	32	Very low	126 Å²	126	118.4 Å²	118.4	88%	0.881	81%	0.813	S	S	*	*			trans	-155.8	134.6	164.9	54.6	0	0	0	0	110.1
30	S	30.9	Very low	32.1	Very low	110 Å²	110	119.1 Å²	119.1	77%	0.769	81%	0.812	S	S	*	*			trans	-105.3	152.2	169.6	49.9	0	0	0	0	108.9
31	L	30.6	Very low	31.9	Very low	173 Å²	173	118.6 Å²	118.6	91%	0.906	81%	0.808	S	S	*	*			trans	-164.2	154.7	145.4	-108.4	164.1	0	0	0	111.6
32	S	29.9	Very low	31.9	Very low	99 Å²	99	119.6 Å²	119.6	69%	0.692	80%	0.804	S	S	*	*			trans	-79.2	149.5	-168.1	51.1	0	0	0	0	115.1
33	S	29.4	Very low	31.8	Very low	122 Å²	122	120.5 Å²	120.5	85%	0.853	81%	0.81	S	S	*	*				-166.8	128.9	129.2	26.1	0	0	0	0	113.1
34	S	33.2	Very low	31.8	Very low	118 Å²	118	120 Å²	120	83%	0.825	81%	0.812	S	S	*	*			trans	-115.5	153.2	159.1	-51.5	0	0	0	0	107
35	P	45.9	Very low	31.6	Very low	116 Å²	116	118.6 Å²	118.6	75%	0.753	81%	0.814	S	S	*	*				-153	149.6	98.2	37.2	-19.1	0	0	0	117.7
36	S	31	Very low	31.6	Very low	116 Å²	116	117 Å²	117	81%	0.811	82%	0.815	S	S	*	*			trans	71.9	149.5	143	-60.1	0	0	0	0	122.1
37	P	42.9	Very low	31.5	Very low	112 Å²	112	119.8 Å²	119.8	73%	0.727	82%	0.819	S	S	*	*			trans	-108	170.7	-177.3	42.3	-35.8	0	0	0	114.3
38	P	38.9	Very low	31.6	Very low	131 Å²	131	121.5 Å²	121.5	85%	0.851	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-76.5	141.3	158.1	32.8	-32.7	0	0	0	111.3
39	S	29.5	Very low	31.5	Very low	117 Å²	117	121.3 Å²	121.3	82%	0.818	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-96.5	161	-173.7	54	0	0	0	0	114.6
40	V	31.3	Very low	31.4	Very low	130 Å²	130	119.2 Å²	119.2	79%	0.788	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-52	139.6	170.6	-173.2	0	0	0	0	111.7	V42	V40-V42 HydrophobicContact CG1-CG2 3.89Å
41	A	26.2	Very low	31.2	Very low	98 Å²	98	117.8 Å²	117.8	81%	0.81	82%	0.818	S	S	*	*			trans	-116.9	101.1	163.1	0	0	0	0	0	109.9
42	V	30.8	Very low	31.2	Very low	120 Å²	120	116.7 Å²	116.7	73%	0.727	82%	0.818	S	S	*	*			trans	-86.1	136.5	166.2	177.2	0	0	0	0	108.3	V40	V40-V42 HydrophobicContact CG1-CG2 3.89Å
43	S	27	Very low	31.2	Very low	127 Å²	127	116.4 Å²	116.4	89%	0.888	82%	0.822	S	S	*	*			trans	-136.4	106.7	165.7	-75	0	0	0	0	109.9
44	A	29.5	Very low	31.1	Very low	95 Å²	95	119.7 Å²	119.7	79%	0.785	82%	0.823	S	S	*	*			trans	-131.5	103.3	175.5	0	0	0	0	0	109.6
45	A	27.8	Very low	30.9	Very low	103 Å²	103	118.6 Å²	118.6	85%	0.851	82%	0.822	S	S	*	*			trans	-165.8	144.4	174.3	0	0	0	0	0	108.4
46	A	27.5	Very low	30.1	Very low	98 Å²	98	118.1 Å²	118.1	81%	0.81	83%	0.827	S	S	*	*			cis	-155.3	172.7	-16.3	0	0	0	0	0	109.6
47	L	29.9	Very low	29.8	Very low	173 Å²	173	115.6 Å²	115.6	91%	0.906	82%	0.82	S	S	*	*			trans	-59.1	138.6	-179.4	-65.5	142	0	0	0	114.1
48	V	29.7	Very low	29.2	Very low	146 Å²	146	116.7 Å²	116.7	89%	0.885	83%	0.83	S	S	*	*			trans	-136.7	150.9	144.5	-176.9	0	0	0	0	108
49	S	29.5	Very low	28.7	Very low	117 Å²	117	114.4 Å²	114.4	82%	0.818	83%	0.831	S	S	*	*			trans	-122.1	164.1	-164.7	52.9	0	0	0	0	114.2
50	G	27.8	Very low	28.6	Very low	83 Å²	83	112.1 Å²	112.1	86%	0.856	83%	0.825	S	S	*	*			trans	93	153.7	169.2	0	0	0	0	0	115.1
51	G	27.1	Very low	28.7	Very low	79 Å²	79	114.9 Å²	114.9	81%	0.814	84%	0.835	S	S	*	*			cis	-165.6	-177.5	1.3	0	0	0	0	0	112.8
52	V	31.1	Very low	28.9	Very low	151 Å²	151	114.2 Å²	114.2	92%	0.915	84%	0.837	S	S	*	*			trans	-114.3	127.9	-170.4	178.4	0	0	0	0	112.4
53	A	28.1	Very low	28.8	Very low	92 Å²	92	111.9 Å²	111.9	76%	0.76	84%	0.837	S	S	*	*			trans	-177.8	138.7	154.1	0	0	0	0	0	107.1
54	Q	27.8	Very low	29.7	Very low	191 Å²	191	111.8 Å²	111.8	89%	0.893	83%	0.834	S	S	*	*			cis	71.9	99.7	20.8	-160.3	-172.5	63.6	0	0	115.9
55	A	29.6	Very low	29.7	Very low	95 Å²	95	114.3 Å²	114.3	79%	0.785	84%	0.839	S	S	*	*				169	153	127.7	0	0	0	0	0	112.9
56	A	28.2	Very low	29.9	Very low	106 Å²	106	120.3 Å²	120.3	88%	0.876	84%	0.84	S	S	*	*			trans	24.7	151.4	151.6	0	0	0	0	0	122.5
57	G	26.5	Very low	30.2	Very low	63 Å²	63	121.2 Å²	121.2	65%	0.649	84%	0.837	S	S	*	*			cis	134.8	157	5.3	0	0	0	0	0	112.1
58	S	30	Very low	30.1	Very low	136 Å²	136	119.2 Å²	119.2	95%	0.951	83%	0.832	S	S	*	*			trans	68.8	147	-163.5	78.9	0	0	0	0	113.9
59	G	27.9	Very low	30.1	Very low	83 Å²	83	120.2 Å²	120.2	86%	0.856	83%	0.832	S	S	*	*			cis	151.2	147.8	-2	0	0	0	0	0	109.3
60	G	28.2	Very low	30.1	Very low	68 Å²	68	121.1 Å²	121.1	70%	0.701	83%	0.832	S	S	*	*			cis	175.2	-166.9	-2.1	0	0	0	0	0	109.9
61	L	31.8	Very low	30.2	Very low	189 Å²	189	121.2 Å²	121.2	99%	0.99	82%	0.824	S	S	*	*			trans	72.6	140.1	174.3	-46.6	174	0	0	0	116.5
62	G	30.4	Very low	30.4	Very low	84 Å²	84	123.7 Å²	123.7	87%	0.866	83%	0.826	S	S	*	*			trans	144.7	23.6	168.6	0	0	0	0	0	121.2
63	G	30.3	Very low	30.2	Very low	71 Å²	71	121.3 Å²	121.3	73%	0.732	82%	0.822	S	S	*	*			trans	-102	-172.2	165.2	0	0	0	0	0	112.2
64	P	44.3	Very low	30.3	Very low	125 Å²	125	123.9 Å²	123.9	81%	0.812	83%	0.828	S	S	*	*			cis	-139.3	160.4	-11.8	40.6	-24.8	0	0	0	115.1
65	V	30.5	Very low	30.2	Very low	148 Å²	148	120.3 Å²	120.3	90%	0.897	82%	0.824	S	S	*	*			trans	-141.5	149.5	150.8	-179.1	0	0	0	0	110.2
66	R	32.4	Very low	30.2	Very low	229 Å²	229	118.9 Å²	118.9	86%	0.864	82%	0.819	S	S	*	*			trans	-57.5	156.2	-168.6	-70.8	171.8	160.1	-177.4	-7.9	117.4
67	P	33.4	Very low	30.3	Very low	116 Å²	116	120.2 Å²	120.2	75%	0.753	82%	0.822	S	S	*	*			trans	-80.1	164.9	162.7	36.6	-36.1	0	0	0	112.5
68	V	28.3	Very low	30.2	Very low	132 Å²	132	121 Å²	121	80%	0.8	83%	0.83	S	S	*	*			trans	-108.2	119.4	165.1	176.1	0	0	0	0	109	V70	V68-V70 HydrophobicContact CG1-CG2 4.27Å
69	L	28.9	Very low	30	Very low	167 Å²	167	118.4 Å²	118.4	87%	0.874	83%	0.825	S	S	*	*			trans	-91.7	139.3	163.8	-81.2	163.2	0	0	0	108.8
70	V	29.7	Very low	29.9	Very low	136 Å²	136	118.4 Å²	118.4	82%	0.824	83%	0.825	S	S	*	*			trans	-115.7	120.4	167.4	179.7	0	0	0	0	107.9	V68	V68-V70 HydrophobicContact CG1-CG2 4.27Å
71	A	29.2	Very low	29.7	Very low	84 Å²	84	119.4 Å²	119.4	69%	0.694	83%	0.826	S	S	*	*			trans	-114	142.4	169.7	0	0	0	0	0	109
72	P	31.9	Very low	29.5	Very low	132 Å²	132	116.9 Å²	116.9	86%	0.857	82%	0.818	S	S	*	*			trans	-74.7	144	169	32.2	-33.2	0	0	0	110.3
73	A	26.8	Very low	29.2	Very low	101 Å²	101	117.7 Å²	117.7	84%	0.835	81%	0.811	S	S	*	*			trans	-134.8	156.7	175.7	0	0	0	0	0	110.8
74	V	29.7	Very low	29	Very low	146 Å²	146	121 Å²	121	89%	0.885	82%	0.817	S	S	*	*			trans	-120.7	146	-160.2	-173	0	0	0	0	112.1
75	S	27	Very low	28	Very low	115 Å²	115	119 Å²	119	80%	0.804	82%	0.818	S	S	*	*			trans	-149.4	140.2	150.3	49.7	0	0	0	0	107.4
76	G	28.6	Very low	27.9	Very low	66 Å²	66	120.2 Å²	120.2	68%	0.68	82%	0.819	S	S	*	*			cis	98.2	124.8	18.9	0	0	0	0	0	109.1
77	S	29.4	Very low	27.5	Very low	134 Å²	134	114.2 Å²	114.2	94%	0.937	81%	0.812	S	S	*	*			cis	-146.6	-174.9	11	-58.8	0	0	0	0	108.1
78	G	25.7	Very low	27.2	Very low	80 Å²	80	120 Å²	120	83%	0.825	82%	0.819	S	S	*	*			cis	154.9	167	8.6	0	0	0	0	0	107.3
79	G	25.5	Very low	27.1	Very low	81 Å²	81	122.8 Å²	122.8	84%	0.835	82%	0.823	S	S	*	*			cis	171.7	153.6	-7	0	0	0	0	0	111.2
80	G	24.9	Very low	26.9	Very low	83 Å²	83	119.4 Å²	119.4	86%	0.856	81%	0.813	S	S	*	*			trans	85.3	160.6	172	0	0	0	0	0	117
81	A	25.6	Very low	26.7	Very low	88 Å²	88	118.7 Å²	118.7	73%	0.727	81%	0.813	S	S	*	*			cis	-162.8	153.4	-14.4	0	0	0	0	0	112.8
82	V	25.8	Very low	26.5	Very low	136 Å²	136	119.8 Å²	119.8	82%	0.824	82%	0.822	S	S	*	*			trans	56.4	139.8	156.1	-65.1	0	0	0	0	123.9
83	S	24.6	Very low	26.2	Very low	101 Å²	101	118.1 Å²	118.1	71%	0.706	82%	0.819	S	S	*	*			trans	93.8	115.3	141.4	72.8	0	0	0	0	121.8
84	T	26	Very low	26.2	Very low	142 Å²	142	124.9 Å²	124.9	87%	0.871	82%	0.823	S	S	*	*			trans	36	122.7	136.3	57.8	0	0	0	0	121.3
85	G	24.7	Very low	26.7	Very low	81 Å²	81	123.9 Å²	123.9	84%	0.835	82%	0.819	S	S	*	*			trans	-168.8	110.7	161.2	0	0	0	0	0	114.4
86	L	26.7	Very low	26.8	Very low	175 Å²	175	124.3 Å²	124.3	92%	0.916	82%	0.823	S	S	*	*			trans	-86	137.5	163.3	-77.5	163.4	0	0	0	109.6
87	S	25	Very low	26.9	Very low	102 Å²	102	126.3 Å²	126.3	71%	0.713	83%	0.833	S	S	*	*			trans	161.2	127.3	146.4	-76.5	0	0	0	0	109.2
88	R	27.9	Very low	26.8	Very low	238 Å²	238	123.6 Å²	123.6	90%	0.898	83%	0.826	S	S	*	*				47.7	97.7	72.7	-80.2	-169.4	171.2	-173.7	-1.2	113.3
89	H	26	Very low	27	Very low	190 Å²	190	127 Å²	127	88%	0.88	83%	0.83	S	S	*	*			trans	-135.5	120.4	149.8	-97.9	-71.9	0	0	0	111.4
90	S	24.5	Very low	27	Very low	96 Å²	96	126.5 Å²	126.5	67%	0.671	83%	0.825	S	S	*	*			trans	-96.3	165.3	170.2	53.2	0	0	0	0	110.8
91	C	25	Very low	27.1	Very low	122 Å²	122	126.1 Å²	126.1	82%	0.824	82%	0.821	S	S	*	*			trans	50.9	116.8	154.6	61.4	0	0	0	0	120.4
92	A	25	Very low	27.2	Very low	107 Å²	107	128.1 Å²	128.1	88%	0.884	83%	0.83	S	S	*	*			trans	-132.7	140.1	143	0	0	0	0	0	108.4
93	A	26.1	Very low	27.3	Very low	96 Å²	96	127.1 Å²	127.1	79%	0.793	83%	0.828	S	S	*	*			trans	-150.9	161	-176.6	0	0	0	0	0	111
94	R	27.4	Very low	27.5	Very low	244 Å²	244	128.2 Å²	128.2	92%	0.921	84%	0.836	S	S	*	*			trans	119.2	162.5	172.9	-74.9	173.3	165.9	-130.3	-4	113.5
95	P	40.1	Very low	27.6	Very low	124 Å²	124	126.5 Å²	126.5	81%	0.805	83%	0.83	S	S	*	*			cis	-119.9	171.4	-6	17.4	6.1	0	0	0	114.5
96	S	28.7	Very low	27.7	Very low	125 Å²	125	131.6 Å²	131.6	87%	0.874	84%	0.837	S	S	*	*			trans	-86.8	157.8	174	-37.7	0	0	0	0	113
97	A	29.8	Very low	27.6	Very low	108 Å²	108	126.5 Å²	126.5	89%	0.893	83%	0.827	S	S	*	*			trans	-142.4	151.6	153.2	0	0	0	0	0	108.7
98	G	26.8	Very low	27.7	Very low	76 Å²	76	127.9 Å²	127.9	78%	0.784	84%	0.837	S	S	*	*			trans	-172.4	154.3	-178.3	0	0	0	0	0	115.4
99	V	30.1	Very low	27.5	Very low	153 Å²	153	120.2 Å²	120.2	93%	0.927	83%	0.832	S	S	*	*			trans	-154.6	145.9	176	-169.6	0	0	0	0	106.1
100	G	26.1	Very low	27.6	Very low	69 Å²	69	116 Å²	116	71%	0.711	82%	0.824	S	S	*	*			cis	154.4	116.8	-8.5	0	0	0	0	0	112
101	G	27	Very low	27.7	Very low	75 Å²	75	123.2 Å²	123.2	77%	0.773	84%	0.836	S	S	*	*			trans	86.3	156.4	175.6	0	0	0	0	0	115.6
102	S	28.9	Very low	27.8	Very low	131 Å²	131	127 Å²	127	92%	0.916	84%	0.839	S	S	*	*			cis	-154.2	167	-5.1	-84.3	0	0	0	0	111.9
103	S	27.5	Very low	27.8	Very low	114 Å²	114	133.4 Å²	133.4	80%	0.797	84%	0.84	S	S	*	*			trans	-93.6	157.8	-166.3	56.4	0	0	0	0	116.6
104	S	28.6	Very low	27.8	Very low	124 Å²	124	134.1 Å²	134.1	87%	0.867	84%	0.836	S	S	*	*			trans	-145.5	131.1	145.2	63.3	0	0	0	0	111.1
105	S	26.8	Very low	27.8	Very low	107 Å²	107	131.1 Å²	131.1	75%	0.748	84%	0.838	S	S	*	*			trans	-138.5	134.7	-173.4	58.7	0	0	0	0	112.6
106	L	26.8	Very low	27.1	Very low	187 Å²	187	133 Å²	133	98%	0.979	84%	0.841	S	S	*	*			trans	-178.6	145.4	163.3	-98	157	0	0	0	106.5
107	G	25.8	Very low	27.1	Very low	69 Å²	69	131.1 Å²	131.1	71%	0.711	83%	0.832	S	S	*	*			cis	-159.2	172.5	-5.4	0	0	0	0	0	110.2
108	S	26.3	Very low	27	Very low	131 Å²	131	132.1 Å²	132.1	92%	0.916	83%	0.83	S	S	*	*			trans	-80.5	153.2	-166.2	-170.6	0	0	0	0	115.7
109	G	24	Very low	26.9	Very low	77 Å²	77	136.4 Å²	136.4	79%	0.794	83%	0.834	S	S	*	*			trans	-163.4	58	-179.3	0	0	0	0	0	115.1
110	S	28	Very low	26.7	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	83%	0.827	S	S	*	*			trans	-72.2	128.5	-178.5	143.3	0	0	0	0	113.9
111	R	26.1	Very low	26.7	Very low	247 Å²	247	139.3 Å²	139.3	93%	0.932	84%	0.835	S	S	*	*			trans	-147.1	130.4	148.7	-103.5	168.9	-160.9	-163.5	3.4	111.3
112	K	27.5	Very low	26.6	Very low	201 Å²	201	138.6 Å²	138.6	87%	0.874	83%	0.828	S	S	*	*			trans	-72.3	146.9	-177.8	-59.1	174.3	-179.6	178.4	0	111.1
113	R	25.1	Very low	26.9	Very low	241 Å²	241	140.6 Å²	140.6	91%	0.909	83%	0.828	S	S	*	*			trans	-107.2	143.9	155.2	-79.6	-172.5	173	-171	-1.6	109.1
114	P	26.8	Very low	26.9	Very low	111 Å²	111	143 Å²	143	72%	0.721	83%	0.83	S	S	*	*			trans	-78.6	149	-178	32.3	-34.7	0	0	0	111.8
115	L	26.9	Very low	26.9	Very low	182 Å²	182	144.5 Å²	144.5	95%	0.953	83%	0.829	S	S	*	*			trans	-85.1	126.3	159.1	-71.1	169.2	0	0	0	108.2
116	L	25.6	Very low	26.9	Very low	164 Å²	164	144.4 Å²	144.4	86%	0.859	83%	0.828	S	S	*	*			trans	-135.2	139.2	169.8	-109.8	165.1	0	0	0	107.5
117	A	29.1	Very low	27.2	Very low	85 Å²	85	146.8 Å²	146.8	70%	0.702	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-83.6	151.8	-164.1	0	0	0	0	0	113.6
118	P	27.6	Very low	27.6	Very low	129 Å²	129	151.8 Å²	151.8	84%	0.838	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-75.3	127	151.2	-6.3	24.7	0	0	0	109.6
119	L	24	Very low	28.3	Very low	166 Å²	166	151.3 Å²	151.3	87%	0.869	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-80.5	169.8	166	-81.9	159.5	0	0	0	110.9
120	C	26.8	Very low	29.3	Very low	115 Å²	115	155.4 Å²	155.4	78%	0.777	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-59.7	131.1	-177.2	-53.9	0	0	0	0	113.9
121	N	25.8	Very low	30.5	Very low	167 Å²	167	152.7 Å²	152.7	89%	0.893	79%	0.794	S	S	*	*			trans	165.1	146.8	139.9	-86	-9.6	0	0	0	108.9
122	G	25	Very low	31.9	Very low	61 Å²	61	146.4 Å²	146.4	63%	0.629	78%	0.779	S	S	*	*			cis	164.2	134.7	-7.2	0	0	0	0	0	111.4
123	L	35.2	Very low	33.6	Very low	173 Å²	173	142.8 Å²	142.8	91%	0.906	77%	0.769	S	S	*	*			trans	38.1	86.1	161.4	-67.5	168.1	0	0	0	118.9
124	I	27.2	Very low	36	Very low	165 Å²	165	132.6 Å²	132.6	85%	0.846	73%	0.732	S	S	*	*				-136	114.9	128.5	-73.8	99.3	0	0	0	107.8
125	N	27.8	Very low	38.6	Very low	155 Å²	155	129.4 Å²	129.4	83%	0.829	71%	0.71	S	S	*	*			trans	-150.3	130.4	152.1	-121.3	14.6	0	0	0	107	Y127	N125-Y127 PolarHBondContact O-N 2.98Å
126	S	27.1	Very low	41.2	Very low	105 Å²	105	120.8 Å²	120.8	73%	0.734	67%	0.665	S	S	*	*			trans	-88.3	88.6	-163.4	50.9	0	0	0	0	113.1	E128	S126-E128 VanDerWaalsContact C-N 3.31Å; S126-E128 PolarHBondContact O-N 3.48Å; S126-E128 VanDerWaalsContact O-N 3.15Å
127	Y	34.3	Very low	43.7	Very low	237 Å²	237	115.2 Å²	115.2	93%	0.929	64%	0.639	S	S	*	*	S	Bend	trans	55.2	33.9	161.1	-132.7	-81.2	0	0	0	116.9	N125	N125-Y127 PolarHBondContact O-N 2.98Å
128	E	34.6	Very low	46.1	Very low	174 Å²	174	113.8 Å²	113.8	81%	0.813	62%	0.619	S	S	*	*			trans	-92.6	169.2	164.5	-67.7	-169.8	148.7	0	0	111.8	S126	S126-E128 VanDerWaalsContact C-N 3.31Å; S126-E128 PolarHBondContact O-N 3.48Å; S126-E128 VanDerWaalsContact O-N 3.15Å
129	D	39.9	Very low	48.6	Very low	120 Å²	120	109.8 Å²	109.8	64%	0.642	59%	0.593	S	S	*	*			trans	-76.8	134	-150.3	-166.5	16.9	0	0	0	115.2	S131	D129-S131 PolarHBondContact O-N 3.1Å; D129-S131 VanDerWaalsContact OD2-CB 3.23Å; D129-S131 WeakPolarHBondContact OD2-CB 3.18Å; D129-S131 PolarHBondContact OD2-OG 2.67Å
130	K	46.1	Very low	51.2	Low	164 Å²	164	109.4 Å²	109.4	71%	0.713	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	27.3	179.4	-61.6	-175	178.4	-177.7	0	112.7	Q196	K130-Q196 PolarHBondContact O-NE2 3.32Å
131	S	53.1	Low	53.7	Low	44 Å²	44	108.8 Å²	108.8	31%	0.308	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86	-39.9	175.1	50.3	0	0	0	0	111.6	D129 D133	D129-S131 PolarHBondContact O-N 3.1Å; D129-S131 VanDerWaalsContact OD2-CB 3.23Å; D129-S131 WeakPolarHBondContact OD2-CB 3.18Å; D129-S131 PolarHBondContact OD2-OG 2.67Å; S131-D133 VanDerWaalsContact C-N 3.32Å; S131-D133 PolarHBondContact O-N 2.95Å
132	N	53.9	Low	56.4	Low	116 Å²	116	104.3 Å²	104.3	62%	0.62	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-70.8	-18.2	-170.4	-66.7	-40	0	0	0	115.2	F134 V135	N132-F134 PolarHBondContact O-N 2.94Å; N132-F134 VanDerWaalsContact O-N 3.11Å; N132-V135 PolarHBondContact O-N 3.15Å
133	D	63.4	Low	59.1	Low	125 Å²	125	101.7 Å²	101.7	67%	0.668	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-65	-13.8	-179.8	-69.7	-37.5	0	0	0	113.9	S131	S131-D133 VanDerWaalsContact C-N 3.32Å; S131-D133 PolarHBondContact O-N 2.95Å
134	F	76.9	Confident	61.1	Low	26 Å²	26	99.8 Å²	99.8	11%	0.114	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-116.5	6.5	-175.2	-59	-63.8	0	0	0	114.1	N132 I143 L192 I193 Q196	N132-F134 PolarHBondContact O-N 2.94Å; N132-F134 VanDerWaalsContact O-N 3.11Å; F134-I143 PolarHBondContact O-N 2.81Å; F134-L192 HydrophobicContact CE1-CB 3.68Å; F134-L192 HydrophobicContact CZ-CB 4.1Å; F134-I193 HydrophobicContact CB-CD1 4.38Å; F134-I193 HydrophobicContact CB-CG1 3.99Å; F134-I193 HydrophobicContact CD1-CD1 4.19Å; F134-I193 HydrophobicContact CD1-CG1 3.44Å; F134-I193 VanDerWaalsContact CD1-CG1 3.44Å; F134-I193 HydrophobicContact CE1-CG1 4.25Å; F134-I193 HydrophobicContact CG-CG1 3.98Å; F134-Q196 HydrophobicContact CD2-CG 4.03Å; F134-Q196 HydrophobicContact CE2-CG 4.28Å
135	V	80.9	Confident	63.8	Low	45 Å²	45	96.3 Å²	96.3	27%	0.273	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-91.3	138.5	-178.4	174.7	0	0	0	0	110.4	N132 P137 F140 D141	N132-V135 PolarHBondContact O-N 3.15Å; V135-P137 WeakPolarHBondContact O-CD 3.46Å; V135-F140 WeakPolarHBondContact CG1-O 3.23Å; V135-D141 CarbonylContact C-O 3.55Å; V135-D141 WeakPolarHBondContact CA-O 3.44Å
136	C	80.9	Confident	66.5	Low	0 Å²	0	88.9 Å²	88.9	0%	0	45%	0.447	C	S	.	.			trans	-76	122	177.8	-173.1	0	0	0	0	110.5	I138 F140 D141 I143 C156	C136-I138 PolarHBondContact O-N 2.83Å; C136-F140 VanDerWaalsContact O-CA 3.31Å; C136-F140 WeakPolarHBondContact O-CA 3.47Å; C136-F140 PolarHBondContact O-N 2.79Å; C136-D141 PolarHBondContact N-O 2.92Å; C136-I143 HydrophobicContact CB-CG1 3.68Å; C136-C156 PolarHBondContact SG-N 2.89Å; C136-C156 VanDerWaalsContact SG-N 3.38Å
137	P	78.3	Confident	69.4	Low	48 Å²	48	86.7 Å²	86.7	31%	0.312	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	16.3	178.3	-19.8	32.8	0	0	0	116.1	V135 F155 K172	V135-P137 WeakPolarHBondContact O-CD 3.46Å; P137-F155 HydrophobicContact CB-CD1 4.46Å; P137-F155 HydrophobicContact CB-CE1 4.07Å; P137-F155 HydrophobicContact CG-CD1 4.27Å; P137-F155 HydrophobicContact CG-CE1 4.04Å; P137-K172 HydrophobicContact CG-CD 4.12Å
138	I	79.3	Confident	71.9	Confident	55 Å²	55	78.2 Å²	78.2	28%	0.282	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-51.3	-178.1	-58.2	169.7	0	0	0	110.7	C136 F155 C159 I160 P171	C136-I138 PolarHBondContact O-N 2.83Å; I138-F155 HydrophobicContact CD1-CB 4.38Å; I138-F155 HydrophobicContact CD1-CD1 3.5Å; I138-F155 HydrophobicContact CD1-CE1 4.03Å; I138-F155 HydrophobicContact CD1-CG 4.13Å; I138-F155 HydrophobicContact CG1-CD1 3.78Å; I138-F155 HydrophobicContact CG1-CE1 4.11Å; I138-C159 HydrophobicContact CB-CB 3.96Å; I138-C159 HydrophobicContact CD1-CB 3.96Å; I138-C159 HydrophobicContact CG2-CB 3.91Å; I138-I160 HydrophobicContact CD1-CB 4.44Å; I138-I160 HydrophobicContact CD1-CD1 4.3Å; I138-P171 HydrophobicContact CD1-CG 4.09Å; I138-P171 HydrophobicContact CG1-CB 4.49Å; I138-P171 HydrophobicContact CG1-CG 4.32Å
139	C	79.4	Confident	74.2	Confident	45 Å²	45	70 Å²	70	30%	0.304	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-10.4	176.5	66.4	0	0	0	0	114.3	D141	C139-D141 PolarHBondContact O-N 2.83Å; C139-D141 PolarHBondContact SG-OD2 3.21Å; C139-D141 VanDerWaalsContact SG-OD2 3.34Å
140	F	80.1	Confident	76.1	Confident	158 Å²	158	68.9 Å²	68.9	69%	0.693	34%	0.344	S	S	*	.			trans	65	5.9	-177.3	-50.8	-82.9	0	0	0	115.9	V135 C136	V135-F140 WeakPolarHBondContact CG1-O 3.23Å; C136-F140 VanDerWaalsContact O-CA 3.31Å; C136-F140 WeakPolarHBondContact O-CA 3.47Å; C136-F140 PolarHBondContact O-N 2.79Å
141	D	79.2	Confident	77.8	Confident	102 Å²	102	63 Å²	63	55%	0.545	32%	0.322	S	S	.	.	S	Bend	trans	-84	167.2	168.5	-54.8	-67.2	0	0	0	113.3	V135 C136 C139 I143	V135-D141 CarbonylContact C-O 3.55Å; V135-D141 WeakPolarHBondContact CA-O 3.44Å; C136-D141 PolarHBondContact N-O 2.92Å; C139-D141 PolarHBondContact O-N 2.83Å; C139-D141 PolarHBondContact SG-OD2 3.21Å; C139-D141 VanDerWaalsContact SG-OD2 3.34Å; D141-I143 PolarHBondContact O-N 3.32Å
142	M	81.4	Confident	79	Confident	73 Å²	73	62.9 Å²	62.9	36%	0.36	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-64.8	131.5	169.9	-170.7	-177	-56	0	0	110.8	E144 I193 K197	M142-E144 PolarHBondContact O-N 2.62Å; M142-I193 HydrophobicContact CG-CG2 4.24Å; M142-I193 HydrophobicContact SD-CG2 4.06Å; M142-K197 HydrophobicContact SD-CD 4.18Å; M142-K197 WeakPolarHBondContact SD-CE 3.28Å; M142-K197 HydrophobicContact SD-CG 3.68Å
143	I	83	Confident	80.5	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.026	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-61.7	120.5	-173.1	-65.6	163.9	0	0	0	111.4	F134 C136 D141 A146 C156 I193	F134-I143 PolarHBondContact O-N 2.81Å; C136-I143 HydrophobicContact CB-CG1 3.68Å; D141-I143 PolarHBondContact O-N 3.32Å; I143-A146 VanDerWaalsContact CG2-CA 3.43Å; I143-A146 HydrophobicContact CG2-CB 3.63Å; I143-C156 VanDerWaalsContact CA-SG 3.58Å; I143-I193 HydrophobicContact CB-CD1 3.66Å; I143-I193 HydrophobicContact CG2-CD1 4.12Å; I143-I193 WeakPolarHBondContact O-CD1 3.41Å
144	E	76.2	Confident	81.6	Confident	133 Å²	133	55.1 Å²	55.1	62%	0.621	29%	0.287	S	S	*	.	S	Bend	trans	-83.5	-40.1	-179.6	-60	-157.3	117.1	0	0	113.2	M142	M142-E144 PolarHBondContact O-N 2.62Å
145	E	83.4	Confident	82.1	Confident	92 Å²	92	53.9 Å²	53.9	43%	0.43	28%	0.282	S	S	.	.	S	Bend	trans	-135.3	94.1	178.9	-66.4	178.6	142.6	0	0	108.2	Y147 C156 Y157	E145-Y147 PolarHBondContact O-N 2.88Å; E145-C156 CarbonylContact O-C 3.55Å; E145-C156 WeakPolarHBondContact O-CA 3.48Å; E145-Y157 PolarHBondContact O-N 2.87Å
146	A	86.2	Confident	82.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	116.6	-175	0	0	0	0	0	111.6	I143 F155 N186 V189 N190	I143-A146 VanDerWaalsContact CG2-CA 3.43Å; I143-A146 HydrophobicContact CG2-CB 3.63Å; A146-F155 WeakPolarHBondContact CA-O 3.49Å; A146-N186 HydrophobicContact CB-CB 4.15Å; A146-N186 PolarHBondContact O-N 2.85Å; A146-V189 HydrophobicContact CB-CB 3.98Å; A146-V189 HydrophobicContact CB-CG1 3.66Å; A146-N190 WeakPolarHBondContact CA-OD1 3.23Å; A146-N190 WeakPolarHBondContact CB-OD1 3.46Å; A146-N190 PolarHBondContact N-OD1 2.93Å; A146-N190 PolarHBondContact O-ND2 2.93Å
147	Y	87.3	Confident	82.8	Confident	59 Å²	59	56.1 Å²	56.1	23%	0.231	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.8	167.7	-84.1	-114	0	0	0	109.7	E145 S154 F155 Y157 L183 Y184 P185	E145-Y147 PolarHBondContact O-N 2.88Å; Y147-S154 CarbonylContact O-C 3.52Å; Y147-S154 VanDerWaalsContact O-CA 3.3Å; Y147-S154 WeakPolarHBondContact O-CA 3.45Å; Y147-F155 PolarHBondContact N-O 2.88Å; Y147-F155 PolarHBondContact O-N 3.46Å; Y147-Y157 AromaticContact CD1-CD2 3.8Å; Y147-Y157 HydrophobicContact CD1-CD2 3.8Å; Y147-Y157 HydrophobicContact CD1-CE2 4.33Å; Y147-Y157 AromaticContact CD2-CD2 3.77Å; Y147-Y157 HydrophobicContact CD2-CD2 3.77Å; Y147-Y157 AromaticContact CD2-CG 3.96Å; Y147-Y157 HydrophobicContact CD2-CG 3.96Å; Y147-Y157 AromaticContact CE1-CD2 3.77Å; Y147-Y157 HydrophobicContact CE1-CD2 3.77Å; Y147-Y157 HydrophobicContact CE1-CE2 4.02Å; Y147-Y157 AromaticContact CE2-CD2 3.76Å; Y147-Y157 HydrophobicContact CE2-CD2 3.76Å; Y147-Y157 AromaticContact CE2-CG 3.86Å; Y147-Y157 HydrophobicContact CE2-CG 3.86Å; Y147-Y157 AromaticContact CG-CD2 3.77Å; Y147-Y157 HydrophobicContact CG-CD2 3.77Å; Y147-Y157 HydrophobicContact CG-CG 4.4Å; Y147-Y157 AromaticContact CZ-CD2 3.74Å; Y147-L183 HydrophobicContact CD1-CB 4.07Å; Y147-Y184 CarbonylContact C-O 3.49Å; Y147-Y184 WeakPolarHBondContact CA-O 3.21Å; Y147-P185 HydrophobicContact CD1-CG 4.32Å; Y147-P185 HydrophobicContact CE1-CB 4.14Å; Y147-P185 HydrophobicContact CE1-CG 3.67Å; Y147-P185 HydrophobicContact CE2-CB 4.24Å
148	M	85.8	Confident	83.2	Confident	59 Å²	59	60.3 Å²	60.3	29%	0.291	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.9	178.9	67.6	-173.8	-61.7	0	0	112	H153 Y184 N186	M148-H153 WeakPolarHBondContact CA-O 3.47Å; M148-Y184 PolarHBondContact N-O 3.48Å; M148-Y184 PolarHBondContact O-N 3.12Å; M148-N186 HydrophobicContact CB-CB 4.23Å; M148-N186 HydrophobicContact CG-CB 4.23Å; M148-N186 HydrophobicContact SD-CB 4.22Å
149	T	84	Confident	83.5	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	160.9	169.2	56.4	0	0	0	0	110.5	C151 G152 H153 F155 I160 C170 V177 L183	T149-C151 PolarHBondContact O-N 3.49Å; T149-C151 PolarHBondContact OG1-SG 2.85Å; T149-G152 PolarHBondContact O-N 3.25Å; T149-H153 PolarHBondContact N-O 3.48Å; T149-H153 PolarHBondContact OG1-O 3.46Å; T149-F155 HydrophobicContact CG2-CD2 4.44Å; T149-F155 HydrophobicContact CG2-CE2 4.15Å; T149-I160 HydrophobicContact CG2-CD1 4.13Å; T149-I160 HydrophobicContact CG2-CG1 4Å; T149-C170 HydrophobicContact CG2-CB 4.46Å; T149-V177 HydrophobicContact CG2-CG2 4.33Å; T149-L183 HydrophobicContact CG2-CD2 3.79Å
150	K	78.4	Confident	83.7	Confident	97 Å²	97	57 Å²	57	42%	0.422	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-21.4	175.4	-78	179.8	172.7	171.2	0	115.4	G152 Y175 H182 Y184	K150-G152 VanDerWaalsContact C-N 3.33Å; K150-Y175 HydrophobicContact CB-CE1 4.24Å; K150-H182 HydrophobicContact CD-CB 4Å; K150-H182 VanDerWaalsContact CE-CD2 3.46Å; K150-H182 WeakPolarHBondContact CE-CD2 3.5Å; K150-H182 VanDerWaalsContact CE-CG 3.46Å; K150-H182 HydrophobicContact CG-CB 4.26Å; K150-H182 PolarHBondContact NZ-CD2 2.79Å; K150-H182 PolarHBondContact NZ-CE1 3.05Å; K150-H182 PolarHBondContact NZ-ND1 3.5Å; K150-H182 PolarHBondContact NZ-NE2 3.41Å; K150-Y184 WeakPolarHBondContact CE-OH 3.27Å; K150-Y184 HydrophobicContact CG-CE2 3.88Å
151	C	82	Confident	83.9	Confident	39 Å²	39	51.6 Å²	51.6	26%	0.264	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	4.4	176.3	74.8	0	0	0	0	114.8	T149 H153 C170 C173 Y175	T149-C151 PolarHBondContact O-N 3.49Å; T149-C151 PolarHBondContact OG1-SG 2.85Å; C151-H153 PolarHBondContact SG-ND1 2.66Å; C151-H153 VanDerWaalsContact SG-ND1 3.39Å; C151-C170 PolarHBondContact SG-SG 3.46Å; C151-C173 PolarHBondContact SG-SG 3.37Å; C151-Y175 HydrophobicContact CB-CD1 3.98Å; C151-Y175 HydrophobicContact CB-CD2 4.5Å; C151-Y175 HydrophobicContact CB-CG 3.92Å
152	G	78.6	Confident	84.2	Confident	42 Å²	42	51.5 Å²	51.5	43%	0.433	26%	0.256	S	S	.	.	S	Bend	trans	91	-15.2	176.7	0	0	0	0	0	115.4	T149 K150	T149-G152 PolarHBondContact O-N 3.25Å; K150-G152 VanDerWaalsContact C-N 3.33Å
153	H	85.4	Confident	84.3	Confident	54 Å²	54	49.3 Å²	49.3	25%	0.25	25%	0.248	C	C	.	.			trans	-74	133.9	179.1	-65.5	125.2	0	0	0	112.3	M148 T149 C151 F155 K172 C173	M148-H153 WeakPolarHBondContact CA-O 3.47Å; T149-H153 PolarHBondContact N-O 3.48Å; T149-H153 PolarHBondContact OG1-O 3.46Å; C151-H153 PolarHBondContact SG-ND1 2.66Å; C151-H153 VanDerWaalsContact SG-ND1 3.39Å; H153-F155 HydrophobicContact CB-CE2 3.69Å; H153-F155 HydrophobicContact CB-CZ 3.92Å; H153-F155 WeakPolarHBondContact O-CE2 3.4Å; H153-K172 HydrophobicContact CB-CB 4.36Å; H153-C173 PolarHBondContact ND1-SG 2.9Å; H153-C173 VanDerWaalsContact ND1-SG 3.41Å
154	S	87.4	Confident	84.1	Confident	25 Å²	25	49.4 Å²	49.4	18%	0.175	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.5	-176.3	-56.7	0	0	0	0	112.2	Y147 N186	Y147-S154 CarbonylContact O-C 3.52Å; Y147-S154 VanDerWaalsContact O-CA 3.3Å; Y147-S154 WeakPolarHBondContact O-CA 3.45Å; S154-N186 PolarHBondContact OG-ND2 3.4Å
155	F	87.6	Confident	84.4	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	168.5	-172.9	-55.1	-91.4	0	0	0	110.1	P137 I138 A146 Y147 T149 H153 I160 P171 K172	P137-F155 HydrophobicContact CB-CD1 4.46Å; P137-F155 HydrophobicContact CB-CE1 4.07Å; P137-F155 HydrophobicContact CG-CD1 4.27Å; P137-F155 HydrophobicContact CG-CE1 4.04Å; I138-F155 HydrophobicContact CD1-CB 4.38Å; I138-F155 HydrophobicContact CD1-CD1 3.5Å; I138-F155 HydrophobicContact CD1-CE1 4.03Å; I138-F155 HydrophobicContact CD1-CG 4.13Å; I138-F155 HydrophobicContact CG1-CD1 3.78Å; I138-F155 HydrophobicContact CG1-CE1 4.11Å; A146-F155 WeakPolarHBondContact CA-O 3.49Å; Y147-F155 PolarHBondContact N-O 2.88Å; Y147-F155 PolarHBondContact O-N 3.46Å; T149-F155 HydrophobicContact CG2-CD2 4.44Å; T149-F155 HydrophobicContact CG2-CE2 4.15Å; H153-F155 HydrophobicContact CB-CE2 3.69Å; H153-F155 HydrophobicContact CB-CZ 3.92Å; H153-F155 WeakPolarHBondContact O-CE2 3.4Å; F155-I160 HydrophobicContact CB-CB 3.77Å; F155-I160 HydrophobicContact CB-CG1 4.45Å; F155-I160 HydrophobicContact CB-CG2 4.13Å; F155-I160 HydrophobicContact CD2-CB 4.17Å; F155-I160 HydrophobicContact CD2-CD1 3.82Å; F155-I160 HydrophobicContact CD2-CG1 3.9Å; F155-I160 HydrophobicContact CE2-CD1 3.94Å; F155-I160 HydrophobicContact CE2-CG1 4.44Å; F155-I160 HydrophobicContact CG-CB 4.08Å; F155-I160 HydrophobicContact CG-CD1 4.16Å; F155-I160 HydrophobicContact CG-CG1 4.28Å; F155-I160 HydrophobicContact CZ-CD1 4.38Å; F155-P171 HydrophobicContact CE1-CB 4.4Å; F155-K172 HydrophobicContact CE1-CB 4.45Å; F155-K172 HydrophobicContact CZ-CB 4.03Å
156	C	88.6	Confident	84.1	Confident	12 Å²	12	49.5 Å²	49.5	8%	0.081	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	135.8	162	-62.3	0	0	0	0	110.3	C136 I143 E145 K158 C159 I160	C136-C156 PolarHBondContact SG-N 2.89Å; C136-C156 VanDerWaalsContact SG-N 3.38Å; I143-C156 VanDerWaalsContact CA-SG 3.58Å; E145-C156 CarbonylContact O-C 3.55Å; E145-C156 WeakPolarHBondContact O-CA 3.48Å; C156-K158 PolarHBondContact O-N 3.04Å; C156-C159 HydrophobicContact CB-CB 4.04Å; C156-C159 PolarHBondContact O-N 2.6Å; C156-C159 VanDerWaalsContact O-N 3.13Å; C156-I160 WeakPolarHBondContact O-CG2 3.19Å; C156-I160 PolarHBondContact O-N 2.82Å
157	Y	86.8	Confident	83.8	Confident	80 Å²	80	54.4 Å²	54.4	31%	0.314	28%	0.279	S	S	.	.	H	α-helix	trans	-47	-58.5	177.3	178.5	-121.1	0	0	0	112.5	E145 Y147 C159 I160 H161	E145-Y157 PolarHBondContact O-N 2.87Å; Y147-Y157 AromaticContact CD1-CD2 3.8Å; Y147-Y157 HydrophobicContact CD1-CD2 3.8Å; Y147-Y157 HydrophobicContact CD1-CE2 4.33Å; Y147-Y157 AromaticContact CD2-CD2 3.77Å; Y147-Y157 HydrophobicContact CD2-CD2 3.77Å; Y147-Y157 AromaticContact CD2-CG 3.96Å; Y147-Y157 HydrophobicContact CD2-CG 3.96Å; Y147-Y157 AromaticContact CE1-CD2 3.77Å; Y147-Y157 HydrophobicContact CE1-CD2 3.77Å; Y147-Y157 HydrophobicContact CE1-CE2 4.02Å; Y147-Y157 AromaticContact CE2-CD2 3.76Å; Y147-Y157 HydrophobicContact CE2-CD2 3.76Å; Y147-Y157 AromaticContact CE2-CG 3.86Å; Y147-Y157 HydrophobicContact CE2-CG 3.86Å; Y147-Y157 AromaticContact CG-CD2 3.77Å; Y147-Y157 HydrophobicContact CG-CD2 3.77Å; Y147-Y157 HydrophobicContact CG-CG 4.4Å; Y147-Y157 AromaticContact CZ-CD2 3.74Å; Y157-C159 VanDerWaalsContact C-N 3.3Å; Y157-C159 PolarHBondContact O-N 2.76Å; Y157-I160 WeakPolarHBondContact O-CG2 3.32Å; Y157-I160 PolarHBondContact O-N 2.84Å; Y157-H161 AromaticContact CE2-CD2 3.83Å; Y157-H161 AromaticContact CZ-CD2 3.71Å; Y157-H161 VanDerWaalsContact O-CB 3.3Å; Y157-H161 WeakPolarHBondContact O-CB 3.49Å; Y157-H161 PolarHBondContact O-N 2.89Å; Y157-H161 PolarHBondContact OH-CD2 3.29Å
158	K	86.9	Confident	83.5	Confident	136 Å²	136	55.8 Å²	55.8	59%	0.591	29%	0.29	S	S	*	.	H	α-helix	trans	-52.2	-46.2	179	-59.7	171.4	-171.4	163.6	0	112.3	C156 H161 Q162	C156-K158 PolarHBondContact O-N 3.04Å; K158-H161 PolarHBondContact O-N 3.15Å; K158-Q162 WeakPolarHBondContact O-CB 3.21Å; K158-Q162 PolarHBondContact O-N 3.14Å
159	C	86.1	Confident	83.3	Confident	30 Å²	30	58.1 Å²	58.1	20%	0.203	30%	0.296	C	S	.	.	H	α-helix	trans	-70.5	-40.2	-175.2	-54.8	0	0	0	0	112.8	I138 C156 Y157 S163	I138-C159 HydrophobicContact CB-CB 3.96Å; I138-C159 HydrophobicContact CD1-CB 3.96Å; I138-C159 HydrophobicContact CG2-CB 3.91Å; C156-C159 HydrophobicContact CB-CB 4.04Å; C156-C159 PolarHBondContact O-N 2.6Å; C156-C159 VanDerWaalsContact O-N 3.13Å; Y157-C159 VanDerWaalsContact C-N 3.3Å; Y157-C159 PolarHBondContact O-N 2.76Å; C159-S163 VanDerWaalsContact O-CB 3.24Å; C159-S163 WeakPolarHBondContact O-CB 3.34Å; C159-S163 PolarHBondContact O-N 2.81Å
160	I	84.1	Confident	83.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-78.7	-28.1	176.7	-166.8	61.3	0	0	0	112.5	I138 T149 F155 C156 Y157 L164 P171 L183	I138-I160 HydrophobicContact CD1-CB 4.44Å; I138-I160 HydrophobicContact CD1-CD1 4.3Å; T149-I160 HydrophobicContact CG2-CD1 4.13Å; T149-I160 HydrophobicContact CG2-CG1 4Å; F155-I160 HydrophobicContact CB-CB 3.77Å; F155-I160 HydrophobicContact CB-CG1 4.45Å; F155-I160 HydrophobicContact CB-CG2 4.13Å; F155-I160 HydrophobicContact CD2-CB 4.17Å; F155-I160 HydrophobicContact CD2-CD1 3.82Å; F155-I160 HydrophobicContact CD2-CG1 3.9Å; F155-I160 HydrophobicContact CE2-CD1 3.94Å; F155-I160 HydrophobicContact CE2-CG1 4.44Å; F155-I160 HydrophobicContact CG-CB 4.08Å; F155-I160 HydrophobicContact CG-CD1 4.16Å; F155-I160 HydrophobicContact CG-CG1 4.28Å; F155-I160 HydrophobicContact CZ-CD1 4.38Å; C156-I160 WeakPolarHBondContact O-CG2 3.19Å; C156-I160 PolarHBondContact O-N 2.82Å; Y157-I160 WeakPolarHBondContact O-CG2 3.32Å; Y157-I160 PolarHBondContact O-N 2.84Å; I160-L164 HydrophobicContact CD1-CD1 4.39Å; I160-L164 HydrophobicContact CD1-CG 4.2Å; I160-L164 HydrophobicContact CG1-CD1 4.06Å; I160-L164 HydrophobicContact CG1-CG 4.29Å; I160-L164 WeakPolarHBondContact O-CB 3.43Å; I160-L164 VanDerWaalsContact O-CG 3.23Å; I160-L164 WeakPolarHBondContact O-CG 3.15Å; I160-L164 PolarHBondContact O-N 2.92Å; I160-P171 HydrophobicContact CD1-CG 4.29Å; I160-L183 HydrophobicContact CG1-CD2 3.81Å; I160-L183 HydrophobicContact CG2-CD1 3.95Å; I160-L183 HydrophobicContact CG2-CD2 3.95Å
161	H	84.6	Confident	83.3	Confident	45 Å²	45	56.6 Å²	56.6	21%	0.208	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-54.8	171.4	-158.7	-75.8	0	0	0	110.2	Y157 K158 S163 L164 E165	Y157-H161 AromaticContact CE2-CD2 3.83Å; Y157-H161 AromaticContact CZ-CD2 3.71Å; Y157-H161 VanDerWaalsContact O-CB 3.3Å; Y157-H161 WeakPolarHBondContact O-CB 3.49Å; Y157-H161 PolarHBondContact O-N 2.89Å; Y157-H161 PolarHBondContact OH-CD2 3.29Å; K158-H161 PolarHBondContact O-N 3.15Å; H161-S163 PolarHBondContact O-N 2.67Å; H161-L164 PolarHBondContact O-N 2.91Å; H161-L164 VanDerWaalsContact O-N 3.09Å; H161-E165 IonicContact CE1-OE1 3.14Å; H161-E165 PolarHBondContact CE1-OE1 2.91Å; H161-E165 IonicContact ND1-OE1 2.71Å; H161-E165 PolarHBondContact ND1-OE1 3.14Å; H161-E165 PolarHBondContact O-N 3.26Å
162	Q	84.5	Confident	83.1	Confident	100 Å²	100	61 Å²	61	47%	0.467	31%	0.31	S	S	.	.	H	α-helix	trans	-59.2	-46.2	177.9	-164.8	63.7	73.7	0	0	111.8	K158 L164 E165 D166	K158-Q162 WeakPolarHBondContact O-CB 3.21Å; K158-Q162 PolarHBondContact O-N 3.14Å; Q162-L164 PolarHBondContact O-N 2.92Å; Q162-E165 PolarHBondContact NE2-OE2 3Å; Q162-E165 WeakPolarHBondContact O-CB 3.46Å; Q162-E165 PolarHBondContact O-N 2.91Å; Q162-E165 VanDerWaalsContact O-N 3.15Å; Q162-D166 PolarHBondContact O-N 2.87Å; Q162-D166 VanDerWaalsContact O-N 3.12Å
163	S	82.5	Confident	83.2	Confident	27 Å²	27	61.9 Å²	61.9	19%	0.189	31%	0.309	C	S	.	.	H	α-helix	trans	-61.6	-26.6	178.2	-178.9	0	0	0	0	113.8	C159 H161 N167 P171	C159-S163 VanDerWaalsContact O-CB 3.24Å; C159-S163 WeakPolarHBondContact O-CB 3.34Å; C159-S163 PolarHBondContact O-N 2.81Å; H161-S163 PolarHBondContact O-N 2.67Å; S163-N167 CarbonylContact O-C 3.53Å; S163-N167 PolarHBondContact O-N 3.22Å; S163-P171 VanDerWaalsContact OG-CG 3.25Å; S163-P171 WeakPolarHBondContact OG-CG 3.29Å
164	L	80.8	Confident	83	Confident	7 Å²	7	64.4 Å²	64.4	4%	0.037	32%	0.324	C	S	.	.	H	α-helix	trans	-90.1	-18.8	177.7	-71.6	178.5	0	0	0	113.6	I160 H161 Q162 N167 V177 L183	I160-L164 HydrophobicContact CD1-CD1 4.39Å; I160-L164 HydrophobicContact CD1-CG 4.2Å; I160-L164 HydrophobicContact CG1-CD1 4.06Å; I160-L164 HydrophobicContact CG1-CG 4.29Å; I160-L164 WeakPolarHBondContact O-CB 3.43Å; I160-L164 VanDerWaalsContact O-CG 3.23Å; I160-L164 WeakPolarHBondContact O-CG 3.15Å; I160-L164 PolarHBondContact O-N 2.92Å; H161-L164 PolarHBondContact O-N 2.91Å; H161-L164 VanDerWaalsContact O-N 3.09Å; Q162-L164 PolarHBondContact O-N 2.92Å; L164-N167 WeakPolarHBondContact CA-O 3.45Å; L164-V177 HydrophobicContact CD1-CB 4.23Å; L164-V177 HydrophobicContact CD1-CG1 3.87Å; L164-V177 HydrophobicContact CD2-CB 3.88Å; L164-V177 HydrophobicContact CD2-CG1 4.42Å; L164-V177 HydrophobicContact CD2-CG2 4.25Å; L164-L183 HydrophobicContact CD1-CD1 4.19Å; L164-L183 HydrophobicContact CD1-CD2 3.88Å; L164-L183 HydrophobicContact CD1-CG 4.12Å
165	E	80.9	Confident	82.7	Confident	103 Å²	103	69 Å²	69	48%	0.481	34%	0.339	S	S	.	.	H	α-helix	trans	-68.9	-42.8	164.7	-70.2	169.1	-159.9	0	0	111.1	H161 Q162 I180	H161-E165 IonicContact CE1-OE1 3.14Å; H161-E165 PolarHBondContact CE1-OE1 2.91Å; H161-E165 IonicContact ND1-OE1 2.71Å; H161-E165 PolarHBondContact ND1-OE1 3.14Å; H161-E165 PolarHBondContact O-N 3.26Å; Q162-E165 PolarHBondContact NE2-OE2 3Å; Q162-E165 WeakPolarHBondContact O-CB 3.46Å; Q162-E165 PolarHBondContact O-N 2.91Å; Q162-E165 VanDerWaalsContact O-N 3.15Å; E165-I180 HydrophobicContact CG-CD1 4.36Å
166	D	77.6	Confident	82.4	Confident	123 Å²	123	71.5 Å²	71.5	66%	0.658	35%	0.354	S	S	*	.	H	α-helix	trans	-78.6	-30.2	179.3	-69.5	-48.8	0	0	0	113.3	Q162	Q162-D166 PolarHBondContact O-N 2.87Å; Q162-D166 VanDerWaalsContact O-N 3.12Å
167	N	79	Confident	82	Confident	103 Å²	103	71.1 Å²	71.1	55%	0.551	35%	0.351	S	S	*	.			trans	-160	117.4	-177.2	-134.7	-46	0	0	0	112.3	S163 L164 R169	S163-N167 CarbonylContact O-C 3.53Å; S163-N167 PolarHBondContact O-N 3.22Å; L164-N167 WeakPolarHBondContact CA-O 3.45Å; N167-R169 PolarHBondContact O-N 3.18Å
168	N	82.3	Confident	81.1	Confident	88 Å²	88	73 Å²	73	47%	0.471	37%	0.367	S	S	.	.	S	Bend	trans	-70.2	42.8	-175.7	-56.8	70.3	0	0	0	115.2	V176 V177	N168-V176 WeakPolarHBondContact O-CA 3.25Å; N168-V177 PolarHBondContact O-N 2.79Å
169	R	81.8	Confident	80.4	Confident	109 Å²	109	70 Å²	70	41%	0.411	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-140.5	139.9	-176.9	-62.3	-172.1	175.1	-100.8	-0	111.8	N167 P171 N174 Y175 V176	N167-R169 PolarHBondContact O-N 3.18Å; R169-P171 WeakPolarHBondContact O-CD 3.35Å; R169-N174 WeakPolarHBondContact CD-OD1 3.47Å; R169-N174 PolarHBondContact NH1-O 3.46Å; R169-Y175 CarbonylContact C-O 3.59Å; R169-Y175 VanDerWaalsContact CA-O 3.31Å; R169-Y175 WeakPolarHBondContact CA-O 3.49Å; R169-V176 HydrophobicContact CG-CG2 4.47Å
170	C	81.5	Confident	79.6	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.361	C	S	.	.			trans	-64.8	119.9	176.6	176.2	0	0	0	0	111.4	T149 C151 K172 C173 N174 Y175	T149-C170 HydrophobicContact CG2-CB 4.46Å; C151-C170 PolarHBondContact SG-SG 3.46Å; C170-K172 PolarHBondContact O-N 3.32Å; C170-C173 PolarHBondContact O-N 2.86Å; C170-N174 WeakPolarHBondContact O-CA 3.32Å; C170-N174 PolarHBondContact O-N 2.9Å; C170-Y175 PolarHBondContact N-O 3.38Å
171	P	80.6	Confident	79	Confident	65 Å²	65	77 Å²	77	42%	0.422	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.1	-175	-31.1	38.7	0	0	0	115.5	I138 F155 I160 S163 R169	I138-P171 HydrophobicContact CD1-CG 4.09Å; I138-P171 HydrophobicContact CG1-CB 4.49Å; I138-P171 HydrophobicContact CG1-CG 4.32Å; F155-P171 HydrophobicContact CE1-CB 4.4Å; I160-P171 HydrophobicContact CD1-CG 4.29Å; S163-P171 VanDerWaalsContact OG-CG 3.25Å; S163-P171 WeakPolarHBondContact OG-CG 3.29Å; R169-P171 WeakPolarHBondContact O-CD 3.35Å
172	K	78.1	Confident	78.4	Confident	132 Å²	132	77 Å²	77	57%	0.574	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-16.7	-175.4	-173.2	160.6	173.2	172	0	114.8	P137 H153 F155 C170	P137-K172 HydrophobicContact CG-CD 4.12Å; H153-K172 HydrophobicContact CB-CB 4.36Å; F155-K172 HydrophobicContact CE1-CB 4.45Å; F155-K172 HydrophobicContact CZ-CB 4.03Å; C170-K172 PolarHBondContact O-N 3.32Å
173	C	80.3	Confident	78.2	Confident	60 Å²	60	73 Å²	73	41%	0.405	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.4	8.5	-179.8	66.6	0	0	0	0	115.8	C151 H153 C170 Y175	C151-C173 PolarHBondContact SG-SG 3.37Å; H153-C173 PolarHBondContact ND1-SG 2.9Å; H153-C173 VanDerWaalsContact ND1-SG 3.41Å; C170-C173 PolarHBondContact O-N 2.86Å; C173-Y175 PolarHBondContact O-N 3.2Å
174	N	80	Confident	78.3	Confident	107 Å²	107	76.8 Å²	76.8	57%	0.572	39%	0.385	S	S	*	.			trans	61.7	11.7	175.6	-145	18.3	0	0	0	115.9	R169 C170	R169-N174 WeakPolarHBondContact CD-OD1 3.47Å; R169-N174 PolarHBondContact NH1-O 3.46Å; C170-N174 WeakPolarHBondContact O-CA 3.32Å; C170-N174 PolarHBondContact O-N 2.9Å
175	Y	81.3	Confident	78.5	Confident	123 Å²	123	78.8 Å²	78.8	48%	0.482	40%	0.398	S	S	.	.			trans	-65.1	133.3	175.2	-177.6	-90	0	0	0	110.7	K150 C151 R169 C170 C173	K150-Y175 HydrophobicContact CB-CE1 4.24Å; C151-Y175 HydrophobicContact CB-CD1 3.98Å; C151-Y175 HydrophobicContact CB-CD2 4.5Å; C151-Y175 HydrophobicContact CB-CG 3.92Å; R169-Y175 CarbonylContact C-O 3.59Å; R169-Y175 VanDerWaalsContact CA-O 3.31Å; R169-Y175 WeakPolarHBondContact CA-O 3.49Å; C170-Y175 PolarHBondContact N-O 3.38Å; C173-Y175 PolarHBondContact O-N 3.2Å
176	V	81.3	Confident	78.7	Confident	52 Å²	52	75 Å²	75	32%	0.315	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-71.2	136.2	-176.2	-173.6	0	0	0	0	110.8	N168 R169 D178	N168-V176 WeakPolarHBondContact O-CA 3.25Å; R169-V176 HydrophobicContact CG-CG2 4.47Å; V176-D178 WeakPolarHBondContact CG1-OD1 3.25Å
177	V	80.7	Confident	79.1	Confident	4 Å²	4	76.1 Å²	76.1	2%	0.024	38%	0.38	C	S	.	.			trans	-123.1	94.1	176.6	-175.2	0	0	0	0	107.6	T149 L164 N168 N179 H182	T149-V177 HydrophobicContact CG2-CG2 4.33Å; L164-V177 HydrophobicContact CD1-CB 4.23Å; L164-V177 HydrophobicContact CD1-CG1 3.87Å; L164-V177 HydrophobicContact CD2-CB 3.88Å; L164-V177 HydrophobicContact CD2-CG1 4.42Å; L164-V177 HydrophobicContact CD2-CG2 4.25Å; N168-V177 PolarHBondContact O-N 2.79Å; V177-N179 PolarHBondContact O-N 3.07Å; V177-N179 VanDerWaalsContact O-N 3.14Å; V177-H182 HydrophobicContact CG1-CB 4.05Å
178	D	67.9	Low	79.1	Confident	119 Å²	119	77 Å²	77	64%	0.636	38%	0.384	S	S	*	.			trans	-69.4	-13.3	-165.3	-44.9	-78	0	0	0	115	V176	V176-D178 WeakPolarHBondContact CG1-OD1 3.25Å
179	N	72.4	Confident	79.1	Confident	73 Å²	73	74.1 Å²	74.1	39%	0.39	37%	0.37	S	S	.	.			trans	-158	149.1	-179.5	-172.2	10.8	0	0	0	110.3	V177 D181 H182	V177-N179 PolarHBondContact O-N 3.07Å; V177-N179 VanDerWaalsContact O-N 3.14Å; N179-D181 VanDerWaalsContact C-N 3.28Å; N179-D181 PolarHBondContact ND2-OD2 3.43Å; N179-D181 PolarHBondContact O-N 3.29Å; N179-H182 VanDerWaalsContact O-CB 3.3Å; N179-H182 WeakPolarHBondContact O-CB 3.33Å; N179-H182 PolarHBondContact O-N 3.12Å; N179-H182 VanDerWaalsContact O-N 3.16Å
180	I	69.8	Low	79.1	Confident	56 Å²	56	70.5 Å²	70.5	29%	0.287	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-66.2	-29.7	179.5	-63.3	177.2	0	0	0	111.3	E165 H182 L183	E165-I180 HydrophobicContact CG-CD1 4.36Å; I180-H182 PolarHBondContact O-N 3.18Å; I180-L183 HydrophobicContact CG2-CD1 4.19Å; I180-L183 WeakPolarHBondContact O-CB 3.45Å; I180-L183 PolarHBondContact O-N 2.92Å
181	D	70.6	Confident	79.1	Confident	122 Å²	122	77.1 Å²	77.1	65%	0.652	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-60.4	-3.2	171.9	-58.8	-43.6	0	0	0	114.3	N179	N179-D181 VanDerWaalsContact C-N 3.28Å; N179-D181 PolarHBondContact ND2-OD2 3.43Å; N179-D181 PolarHBondContact O-N 3.29Å
182	H	71.4	Confident	79.1	Confident	44 Å²	44	77.3 Å²	77.3	20%	0.204	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-96.1	11	173.4	-59	154.3	0	0	0	113.9	K150 V177 N179 I180 Y184	K150-H182 HydrophobicContact CD-CB 4Å; K150-H182 VanDerWaalsContact CE-CD2 3.46Å; K150-H182 WeakPolarHBondContact CE-CD2 3.5Å; K150-H182 VanDerWaalsContact CE-CG 3.46Å; K150-H182 HydrophobicContact CG-CB 4.26Å; K150-H182 PolarHBondContact NZ-CD2 2.79Å; K150-H182 PolarHBondContact NZ-CE1 3.05Å; K150-H182 PolarHBondContact NZ-ND1 3.5Å; K150-H182 PolarHBondContact NZ-NE2 3.41Å; V177-H182 HydrophobicContact CG1-CB 4.05Å; N179-H182 VanDerWaalsContact O-CB 3.3Å; N179-H182 WeakPolarHBondContact O-CB 3.33Å; N179-H182 PolarHBondContact O-N 3.12Å; N179-H182 VanDerWaalsContact O-N 3.16Å; I180-H182 PolarHBondContact O-N 3.18Å; H182-Y184 VanDerWaalsContact O-CE2 3.3Å; H182-Y184 WeakPolarHBondContact O-CE2 3.34Å
183	L	82.3	Confident	79.2	Confident	16 Å²	16	71.2 Å²	71.2	8%	0.084	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.3	165.6	-66.8	177.5	0	0	0	110.4	Y147 T149 I160 L164 I180	Y147-L183 HydrophobicContact CD1-CB 4.07Å; T149-L183 HydrophobicContact CG2-CD2 3.79Å; I160-L183 HydrophobicContact CG1-CD2 3.81Å; I160-L183 HydrophobicContact CG2-CD1 3.95Å; I160-L183 HydrophobicContact CG2-CD2 3.95Å; L164-L183 HydrophobicContact CD1-CD1 4.19Å; L164-L183 HydrophobicContact CD1-CD2 3.88Å; L164-L183 HydrophobicContact CD1-CG 4.12Å; I180-L183 HydrophobicContact CG2-CD1 4.19Å; I180-L183 WeakPolarHBondContact O-CB 3.45Å; I180-L183 PolarHBondContact O-N 2.92Å
184	Y	84.4	Confident	79.1	Confident	107 Å²	107	73.3 Å²	73.3	42%	0.42	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.5	-180	-55.4	-76.7	0	0	0	110.5	Y147 M148 K150 H182 N186	Y147-Y184 CarbonylContact C-O 3.49Å; Y147-Y184 WeakPolarHBondContact CA-O 3.21Å; M148-Y184 PolarHBondContact N-O 3.48Å; M148-Y184 PolarHBondContact O-N 3.12Å; K150-Y184 WeakPolarHBondContact CE-OH 3.27Å; K150-Y184 HydrophobicContact CG-CE2 3.88Å; H182-Y184 VanDerWaalsContact O-CE2 3.3Å; H182-Y184 WeakPolarHBondContact O-CE2 3.34Å; Y184-N186 PolarHBondContact O-N 3.22Å
185	P	85.1	Confident	79	Confident	48 Å²	48	74.2 Å²	74.2	31%	0.312	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	124.2	174.5	-13.4	24.5	0	0	0	110.4	Y147 F187	Y147-P185 HydrophobicContact CD1-CG 4.32Å; Y147-P185 HydrophobicContact CE1-CB 4.14Å; Y147-P185 HydrophobicContact CE1-CG 3.67Å; Y147-P185 HydrophobicContact CE2-CB 4.24Å; P185-F187 HydrophobicContact CB-CD2 4.34Å; P185-F187 HydrophobicContact CB-CE1 4.19Å; P185-F187 HydrophobicContact CB-CE2 3.79Å; P185-F187 HydrophobicContact CB-CZ 3.7Å; P185-F187 HydrophobicContact CG-CE2 4.23Å; P185-F187 HydrophobicContact CG-CZ 4.1Å; P185-F187 WeakPolarHBondContact O-CD2 3.43Å; P185-F187 PolarHBondContact O-N 3.37Å
186	N	84.9	Confident	78.6	Confident	23 Å²	23	70.5 Å²	70.5	12%	0.123	35%	0.353	C	S	.	.			trans	-91.9	75.5	-179.6	-168.7	-17.5	0	0	0	110.4	A146 M148 S154 Y184 L188 V189 N190	A146-N186 HydrophobicContact CB-CB 4.15Å; A146-N186 PolarHBondContact O-N 2.85Å; M148-N186 HydrophobicContact CB-CB 4.23Å; M148-N186 HydrophobicContact CG-CB 4.23Å; M148-N186 HydrophobicContact SD-CB 4.22Å; S154-N186 PolarHBondContact OG-ND2 3.4Å; Y184-N186 PolarHBondContact O-N 3.22Å; N186-L188 PolarHBondContact O-N 3.11Å; N186-V189 HydrophobicContact CB-CB 4.26Å; N186-V189 WeakPolarHBondContact ND2-CG2 3.48Å; N186-V189 PolarHBondContact O-N 2.78Å; N186-V189 VanDerWaalsContact O-N 3.1Å; N186-V189 PolarHBondContact OD1-N 3.15Å; N186-V189 VanDerWaalsContact OD1-N 3.11Å; N186-N190 PolarHBondContact O-N 3.3Å; N186-N190 PolarHBondContact O-ND2 3.44Å
187	F	85.3	Confident	78.1	Confident	148 Å²	148	71.1 Å²	71.1	65%	0.649	35%	0.351	S	S	*	.	H	α-helix	trans	-54.7	-32.8	-179.5	-60.5	-75.6	0	0	0	113.7	P185 N190 E191	P185-F187 HydrophobicContact CB-CD2 4.34Å; P185-F187 HydrophobicContact CB-CE1 4.19Å; P185-F187 HydrophobicContact CB-CE2 3.79Å; P185-F187 HydrophobicContact CB-CZ 3.7Å; P185-F187 HydrophobicContact CG-CE2 4.23Å; P185-F187 HydrophobicContact CG-CZ 4.1Å; P185-F187 WeakPolarHBondContact O-CD2 3.43Å; P185-F187 PolarHBondContact O-N 3.37Å; F187-N190 PolarHBondContact O-N 3.45Å; F187-E191 PolarHBondContact O-N 3.26Å
188	L	79.8	Confident	77.6	Confident	120 Å²	120	76.3 Å²	76.3	63%	0.628	38%	0.375	S	S	*	.	H	α-helix	trans	-68.9	-42.7	177.8	-179.7	62.7	0	0	0	111.9	N186 E191 L192	N186-L188 PolarHBondContact O-N 3.11Å; L188-E191 PolarHBondContact O-N 2.98Å; L188-L192 HydrophobicContact CD1-CD1 4.44Å; L188-L192 HydrophobicContact CG-CD1 4.26Å; L188-L192 WeakPolarHBondContact O-CB 3.41Å; L188-L192 VanDerWaalsContact O-CG 3.26Å; L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 3Å
189	V	81	Confident	77.5	Confident	28 Å²	28	76.4 Å²	76.4	17%	0.17	37%	0.367	C	S	.	.	H	α-helix	trans	-68.4	-37.7	174	170.6	0	0	0	0	110.5	A146 N186 L192 I193	A146-V189 HydrophobicContact CB-CB 3.98Å; A146-V189 HydrophobicContact CB-CG1 3.66Å; N186-V189 HydrophobicContact CB-CB 4.26Å; N186-V189 WeakPolarHBondContact ND2-CG2 3.48Å; N186-V189 PolarHBondContact O-N 2.78Å; N186-V189 VanDerWaalsContact O-N 3.1Å; N186-V189 PolarHBondContact OD1-N 3.15Å; N186-V189 VanDerWaalsContact OD1-N 3.11Å; V189-L192 PolarHBondContact O-N 3.24Å; V189-I193 HydrophobicContact CG1-CD1 3.6Å; V189-I193 HydrophobicContact CG1-CG1 4.17Å; V189-I193 WeakPolarHBondContact O-CB 3.48Å; V189-I193 WeakPolarHBondContact O-CG1 3.24Å; V189-I193 PolarHBondContact O-N 3.22Å
190	N	81.8	Confident	77	Confident	34 Å²	34	79.4 Å²	79.4	18%	0.182	38%	0.377	C	S	.	.	H	α-helix	trans	-60.3	-46.4	173.1	-71.8	-35.1	0	0	0	112.5	A146 N186 F187 L192 I193 L194	A146-N190 WeakPolarHBondContact CA-OD1 3.23Å; A146-N190 WeakPolarHBondContact CB-OD1 3.46Å; A146-N190 PolarHBondContact N-OD1 2.93Å; A146-N190 PolarHBondContact O-ND2 2.93Å; N186-N190 PolarHBondContact O-N 3.3Å; N186-N190 PolarHBondContact O-ND2 3.44Å; F187-N190 PolarHBondContact O-N 3.45Å; N190-L192 PolarHBondContact O-N 3.28Å; N190-I193 PolarHBondContact O-N 3.42Å; N190-L194 WeakPolarHBondContact O-CB 3.28Å; N190-L194 VanDerWaalsContact O-CG 3.29Å; N190-L194 WeakPolarHBondContact O-CG 3.27Å; N190-L194 PolarHBondContact O-N 3.04Å
191	E	82.1	Confident	76.3	Confident	138 Å²	138	81.9 Å²	81.9	65%	0.645	39%	0.387	S	S	*	.	H	α-helix	trans	-59.3	-44.8	172.8	-86.8	-126	140.2	0	0	112.3	F187 L188 I193 L194 K195	F187-E191 PolarHBondContact O-N 3.26Å; L188-E191 PolarHBondContact O-N 2.98Å; E191-I193 VanDerWaalsContact C-N 3.33Å; E191-I193 PolarHBondContact O-N 3.46Å; E191-L194 PolarHBondContact O-N 2.88Å; E191-K195 VanDerWaalsContact O-CB 3.22Å; E191-K195 WeakPolarHBondContact O-CB 3.34Å; E191-K195 PolarHBondContact O-N 3.02Å
192	L	80.9	Confident	75.4	Confident	69 Å²	69	80.6 Å²	80.6	36%	0.361	38%	0.377	S	S	.	.	H	α-helix	trans	-65.7	-36.1	179.6	-72	170.9	0	0	0	112.1	F134 L188 V189 N190 K195 Q196	F134-L192 HydrophobicContact CE1-CB 3.68Å; F134-L192 HydrophobicContact CZ-CB 4.1Å; L188-L192 HydrophobicContact CD1-CD1 4.44Å; L188-L192 HydrophobicContact CG-CD1 4.26Å; L188-L192 WeakPolarHBondContact O-CB 3.41Å; L188-L192 VanDerWaalsContact O-CG 3.26Å; L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 3Å; V189-L192 PolarHBondContact O-N 3.24Å; N190-L192 PolarHBondContact O-N 3.28Å; L192-K195 CarbonylContact O-C 3.55Å; L192-K195 PolarHBondContact O-N 3.3Å; L192-Q196 VanDerWaalsContact O-CB 3.31Å; L192-Q196 WeakPolarHBondContact O-CB 3.29Å; L192-Q196 PolarHBondContact O-N 3Å
193	I	79.4	Confident	74.4	Confident	5 Å²	5	85.6 Å²	85.6	3%	0.026	40%	0.398	C	S	.	.	H	α-helix	trans	-69.5	-45.1	174	-70.4	172.8	0	0	0	111	F134 M142 I143 V189 N190 E191 K195 Q196 K197	F134-I193 HydrophobicContact CB-CD1 4.38Å; F134-I193 HydrophobicContact CB-CG1 3.99Å; F134-I193 HydrophobicContact CD1-CD1 4.19Å; F134-I193 HydrophobicContact CD1-CG1 3.44Å; F134-I193 VanDerWaalsContact CD1-CG1 3.44Å; F134-I193 HydrophobicContact CE1-CG1 4.25Å; F134-I193 HydrophobicContact CG-CG1 3.98Å; M142-I193 HydrophobicContact CG-CG2 4.24Å; M142-I193 HydrophobicContact SD-CG2 4.06Å; I143-I193 HydrophobicContact CB-CD1 3.66Å; I143-I193 HydrophobicContact CG2-CD1 4.12Å; I143-I193 WeakPolarHBondContact O-CD1 3.41Å; V189-I193 HydrophobicContact CG1-CD1 3.6Å; V189-I193 HydrophobicContact CG1-CG1 4.17Å; V189-I193 WeakPolarHBondContact O-CB 3.48Å; V189-I193 WeakPolarHBondContact O-CG1 3.24Å; V189-I193 PolarHBondContact O-N 3.22Å; N190-I193 PolarHBondContact O-N 3.42Å; E191-I193 VanDerWaalsContact C-N 3.33Å; E191-I193 PolarHBondContact O-N 3.46Å; I193-K195 PolarHBondContact O-N 2.66Å; I193-Q196 CarbonylContact O-C 3.58Å; I193-Q196 WeakPolarHBondContact O-CA 3.38Å; I193-Q196 WeakPolarHBondContact O-CB 3.42Å; I193-Q196 PolarHBondContact O-N 3.22Å; I193-K197 HydrophobicContact CG2-CD 4.21Å; I193-K197 HydrophobicContact CG2-CG 4.34Å; I193-K197 WeakPolarHBondContact O-CB 3.45Å; I193-K197 WeakPolarHBondContact O-CG 3.21Å; I193-K197 PolarHBondContact O-N 2.9Å
194	L	78.2	Confident	72.8	Confident	104 Å²	104	91 Å²	91	55%	0.545	42%	0.418	S	S	.	.	H	α-helix	trans	-58.8	-40.2	173.5	-72.5	167.7	0	0	0	110.8	N190 E191 Q196 K197 Q198	N190-L194 WeakPolarHBondContact O-CB 3.28Å; N190-L194 VanDerWaalsContact O-CG 3.29Å; N190-L194 WeakPolarHBondContact O-CG 3.27Å; N190-L194 PolarHBondContact O-N 3.04Å; E191-L194 PolarHBondContact O-N 2.88Å; L194-Q196 VanDerWaalsContact C-N 3.31Å; L194-Q196 PolarHBondContact O-N 3.32Å; L194-K197 PolarHBondContact O-N 3.14Å; L194-Q198 VanDerWaalsContact O-CB 3.31Å; L194-Q198 WeakPolarHBondContact O-CB 3.34Å; L194-Q198 VanDerWaalsContact O-CG 3.28Å; L194-Q198 WeakPolarHBondContact O-CG 3.26Å; L194-Q198 PolarHBondContact O-N 2.83Å
195	K	78.5	Confident	70.7	Confident	125 Å²	125	92.2 Å²	92.2	54%	0.543	43%	0.425	S	S	.	.	H	α-helix	trans	-75.8	-14.6	175	-159	166.3	-168.5	163.7	0	113.7	E191 L192 I193 R199	E191-K195 VanDerWaalsContact O-CB 3.22Å; E191-K195 WeakPolarHBondContact O-CB 3.34Å; E191-K195 PolarHBondContact O-N 3.02Å; L192-K195 CarbonylContact O-C 3.55Å; L192-K195 PolarHBondContact O-N 3.3Å; I193-K195 PolarHBondContact O-N 2.66Å; K195-R199 WeakPolarHBondContact O-CB 3.46Å; K195-R199 WeakPolarHBondContact O-CG 3.39Å; K195-R199 PolarHBondContact O-N 2.87Å; K195-R199 PolarHBondContact O-NE 3.14Å; K195-R199 PolarHBondContact O-NH2 3.04Å
196	Q	73.1	Confident	68.6	Low	46 Å²	46	97.1 Å²	97.1	22%	0.215	44%	0.441	C	S	.	.	H	α-helix	trans	-82.5	-49.2	169.5	-169.4	85.8	-27.2	0	0	109.3	K130 F134 L192 I193 L194 R199 F200	K130-Q196 PolarHBondContact O-NE2 3.32Å; F134-Q196 HydrophobicContact CD2-CG 4.03Å; F134-Q196 HydrophobicContact CE2-CG 4.28Å; L192-Q196 VanDerWaalsContact O-CB 3.31Å; L192-Q196 WeakPolarHBondContact O-CB 3.29Å; L192-Q196 PolarHBondContact O-N 3Å; I193-Q196 CarbonylContact O-C 3.58Å; I193-Q196 WeakPolarHBondContact O-CA 3.38Å; I193-Q196 WeakPolarHBondContact O-CB 3.42Å; I193-Q196 PolarHBondContact O-N 3.22Å; L194-Q196 VanDerWaalsContact C-N 3.31Å; L194-Q196 PolarHBondContact O-N 3.32Å; Q196-R199 CarbonylContact O-C 3.5Å; Q196-R199 PolarHBondContact O-N 2.84Å; Q196-R199 VanDerWaalsContact O-N 3.12Å; Q196-F200 PolarHBondContact O-N 3.15Å
197	K	71.4	Confident	66.6	Low	65 Å²	65	101.1 Å²	101.1	28%	0.283	46%	0.462	S	S	.	.	H	α-helix	trans	-56	-51.9	173.2	-71.2	-176.4	177.6	-175.4	0	110.7	M142 I193 L194 R199 F200 E201	M142-K197 HydrophobicContact SD-CD 4.18Å; M142-K197 WeakPolarHBondContact SD-CE 3.28Å; M142-K197 HydrophobicContact SD-CG 3.68Å; I193-K197 HydrophobicContact CG2-CD 4.21Å; I193-K197 HydrophobicContact CG2-CG 4.34Å; I193-K197 WeakPolarHBondContact O-CB 3.45Å; I193-K197 WeakPolarHBondContact O-CG 3.21Å; I193-K197 PolarHBondContact O-N 2.9Å; L194-K197 PolarHBondContact O-N 3.14Å; K197-R199 VanDerWaalsContact C-N 3.31Å; K197-R199 PolarHBondContact O-N 3.29Å; K197-F200 CarbonylContact O-C 3.58Å; K197-F200 WeakPolarHBondContact O-CA 3.27Å; K197-F200 VanDerWaalsContact O-CB 3.28Å; K197-F200 WeakPolarHBondContact O-CB 3.35Å; K197-F200 PolarHBondContact O-N 2.96Å; K197-E201 WeakPolarHBondContact O-CG 3.17Å; K197-E201 PolarHBondContact O-N 2.82Å
198	Q	69.8	Low	64.2	Low	112 Å²	112	96.6 Å²	96.6	52%	0.523	45%	0.445	S	S	.	.	H	α-helix	trans	-57.7	-36.7	173.6	-75.9	175.6	-5.6	0	0	113.4	L194 F200 E201 E202	L194-Q198 VanDerWaalsContact O-CB 3.31Å; L194-Q198 WeakPolarHBondContact O-CB 3.34Å; L194-Q198 VanDerWaalsContact O-CG 3.28Å; L194-Q198 WeakPolarHBondContact O-CG 3.26Å; L194-Q198 PolarHBondContact O-N 2.83Å; Q198-F200 VanDerWaalsContact C-N 3.29Å; Q198-F200 PolarHBondContact O-N 3.34Å; Q198-E201 WeakPolarHBondContact CA-OE2 3.24Å; Q198-E202 VanDerWaalsContact O-CB 3.26Å; Q198-E202 WeakPolarHBondContact O-CB 3.36Å; Q198-E202 WeakPolarHBondContact O-CG 3.33Å; Q198-E202 PolarHBondContact O-N 2.9Å
199	R	66.3	Low	62.1	Low	122 Å²	122	98.7 Å²	98.7	46%	0.46	45%	0.451	S	S	.	.	H	α-helix	trans	-76.3	-14.7	174.1	-80.4	-179	-67.2	164.4	6.1	113.6	K195 Q196 K197 K203	K195-R199 WeakPolarHBondContact O-CB 3.46Å; K195-R199 WeakPolarHBondContact O-CG 3.39Å; K195-R199 PolarHBondContact O-N 2.87Å; K195-R199 PolarHBondContact O-NE 3.14Å; K195-R199 PolarHBondContact O-NH2 3.04Å; Q196-R199 CarbonylContact O-C 3.5Å; Q196-R199 PolarHBondContact O-N 2.84Å; Q196-R199 VanDerWaalsContact O-N 3.12Å; K197-R199 VanDerWaalsContact C-N 3.31Å; K197-R199 PolarHBondContact O-N 3.29Å; R199-K203 WeakPolarHBondContact O-CD 3.39Å; R199-K203 WeakPolarHBondContact O-CG 3.25Å; R199-K203 PolarHBondContact O-N 3.28Å
200	F	61.2	Low	60.2	Low	136 Å²	136	101.4 Å²	101.4	60%	0.596	47%	0.471	S	S	*	.	H	α-helix	trans	-87.2	-39.9	171.4	-145.1	-85.5	0	0	0	110.9	Q196 K197 Q198 K203 R204	Q196-F200 PolarHBondContact O-N 3.15Å; K197-F200 CarbonylContact O-C 3.58Å; K197-F200 WeakPolarHBondContact O-CA 3.27Å; K197-F200 VanDerWaalsContact O-CB 3.28Å; K197-F200 WeakPolarHBondContact O-CB 3.35Å; K197-F200 PolarHBondContact O-N 2.96Å; Q198-F200 VanDerWaalsContact C-N 3.29Å; Q198-F200 PolarHBondContact O-N 3.34Å; F200-K203 CarbonylContact O-C 3.54Å; F200-K203 WeakPolarHBondContact O-CA 3.5Å; F200-K203 WeakPolarHBondContact O-CB 3.45Å; F200-K203 PolarHBondContact O-N 3.04Å; F200-K203 VanDerWaalsContact O-N 3.17Å; F200-R204 PolarHBondContact O-N 2.87Å
201	E	54.9	Low	58.2	Low	108 Å²	108	102.8 Å²	102.8	51%	0.505	48%	0.481	S	S	.	.	H	α-helix	trans	-66.9	-42.8	172.3	-69.1	164.3	164.4	0	0	111.4	K197 Q198 K203 R204 F205	K197-E201 WeakPolarHBondContact O-CG 3.17Å; K197-E201 PolarHBondContact O-N 2.82Å; Q198-E201 WeakPolarHBondContact CA-OE2 3.24Å; E201-K203 PolarHBondContact O-N 2.81Å; E201-R204 CarbonylContact O-C 3.47Å; E201-R204 WeakPolarHBondContact O-CB 3.4Å; E201-R204 PolarHBondContact O-N 2.96Å; E201-R204 VanDerWaalsContact O-N 3.16Å; E201-F205 WeakPolarHBondContact O-CB 3.2Å; E201-F205 PolarHBondContact O-N 3.2Å
202	E	51.2	Low	56.2	Low	95 Å²	95	102.6 Å²	102.6	44%	0.444	49%	0.494	S	S	.	.	H	α-helix	trans	-59.9	-34.5	168.8	-84.9	-169.6	-156.9	0	0	111.8	Q198 K206	Q198-E202 VanDerWaalsContact O-CB 3.26Å; Q198-E202 WeakPolarHBondContact O-CB 3.36Å; Q198-E202 WeakPolarHBondContact O-CG 3.33Å; Q198-E202 PolarHBondContact O-N 2.9Å; E202-K206 WeakPolarHBondContact O-CB 3.41Å; E202-K206 WeakPolarHBondContact O-CD 3.25Å; E202-K206 WeakPolarHBondContact O-CG 3.47Å; E202-K206 PolarHBondContact O-N 2.79Å; E202-K206 IonicContact OE2-NZ 3.3Å; E202-K206 PolarHBondContact OE2-NZ 3.47Å
203	K	52.1	Low	54.5	Low	149 Å²	149	102.4 Å²	102.4	65%	0.648	50%	0.499	S	S	*	.	H	α-helix	trans	-70.5	-37.2	174.9	-80.5	171.3	-178	-179.5	0	111.7	R199 F200 E201 L207	R199-K203 WeakPolarHBondContact O-CD 3.39Å; R199-K203 WeakPolarHBondContact O-CG 3.25Å; R199-K203 PolarHBondContact O-N 3.28Å; F200-K203 CarbonylContact O-C 3.54Å; F200-K203 WeakPolarHBondContact O-CA 3.5Å; F200-K203 WeakPolarHBondContact O-CB 3.45Å; F200-K203 PolarHBondContact O-N 3.04Å; F200-K203 VanDerWaalsContact O-N 3.17Å; E201-K203 PolarHBondContact O-N 2.81Å; K203-L207 WeakPolarHBondContact O-CB 3.47Å; K203-L207 PolarHBondContact O-N 2.95Å
204	R	47.4	Very low	53.1	Low	130 Å²	130	107.8 Å²	107.8	49%	0.491	53%	0.532	S	S	.	.	H	α-helix	trans	-60.8	-59.6	167.4	-80.1	177.1	66.7	148.2	-3.4	110.1	F200 E201 K206 L207 D208	F200-R204 PolarHBondContact O-N 2.87Å; E201-R204 CarbonylContact O-C 3.47Å; E201-R204 WeakPolarHBondContact O-CB 3.4Å; E201-R204 PolarHBondContact O-N 2.96Å; E201-R204 VanDerWaalsContact O-N 3.16Å; R204-K206 VanDerWaalsContact C-N 3.3Å; R204-K206 PolarHBondContact O-N 3.28Å; R204-K206 VanDerWaalsContact O-N 3.16Å; R204-L207 CarbonylContact O-C 3.53Å; R204-L207 WeakPolarHBondContact O-CA 3.38Å; R204-L207 WeakPolarHBondContact O-CB 3.43Å; R204-L207 PolarHBondContact O-N 2.83Å; R204-D208 PolarHBondContact O-N 2.83Å; R204-D208 VanDerWaalsContact O-OD2 3.08Å
205	F	40.8	Very low	51.6	Low	132 Å²	132	106.4 Å²	106.4	58%	0.579	53%	0.526	S	S	*	.	H	α-helix	trans	-56.4	-36.8	-178.4	-101.2	-90.6	0	0	0	114.4	E201 L207 D208 H209	E201-F205 WeakPolarHBondContact O-CB 3.2Å; E201-F205 PolarHBondContact O-N 3.2Å; F205-L207 VanDerWaalsContact C-N 3.3Å; F205-D208 PolarHBondContact O-N 2.82Å; F205-H209 WeakPolarHBondContact O-CB 3.18Å; F205-H209 PolarHBondContact O-N 2.99Å
206	K	40	Very low	50.4	Low	150 Å²	150	101.2 Å²	101.2	65%	0.652	51%	0.508	S	S	*	.	H	α-helix	trans	-76.1	-14.8	176.1	-71	165.7	-178.1	169.8	0	113.4	E202 R204	E202-K206 WeakPolarHBondContact O-CB 3.41Å; E202-K206 WeakPolarHBondContact O-CD 3.25Å; E202-K206 WeakPolarHBondContact O-CG 3.47Å; E202-K206 PolarHBondContact O-N 2.79Å; E202-K206 IonicContact OE2-NZ 3.3Å; E202-K206 PolarHBondContact OE2-NZ 3.47Å; R204-K206 VanDerWaalsContact C-N 3.3Å; R204-K206 PolarHBondContact O-N 3.28Å; R204-K206 VanDerWaalsContact O-N 3.16Å
207	L	42.6	Very low	49.6	Very low	108 Å²	108	105.6 Å²	105.6	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-83.8	-48.3	165.7	-150.5	71.3	0	0	0	110	K203 R204 F205 H209 S210	K203-L207 WeakPolarHBondContact O-CB 3.47Å; K203-L207 PolarHBondContact O-N 2.95Å; R204-L207 CarbonylContact O-C 3.53Å; R204-L207 WeakPolarHBondContact O-CA 3.38Å; R204-L207 WeakPolarHBondContact O-CB 3.43Å; R204-L207 PolarHBondContact O-N 2.83Å; F205-L207 VanDerWaalsContact C-N 3.3Å; L207-H209 PolarHBondContact O-N 3.06Å; L207-S210 PolarHBondContact O-N 3.33Å; L207-S210 PolarHBondContact O-OG 3.06Å
208	D	36.1	Very low	48.9	Very low	53 Å²	53	106.8 Å²	106.8	28%	0.283	53%	0.53	S	S	.	.	H	α-helix	trans	-62.7	-39.6	-175.5	-60.3	-35.8	0	0	0	112.6	R204 F205 S210 V211 Q220	R204-D208 PolarHBondContact O-N 2.83Å; R204-D208 VanDerWaalsContact O-OD2 3.08Å; F205-D208 PolarHBondContact O-N 2.82Å; D208-S210 PolarHBondContact O-N 3.35Å; D208-V211 PolarHBondContact O-N 3.21Å; D208-Q220 PolarHBondContact OD1-NE2 2.73Å
209	H	36.4	Very low	48.5	Very low	164 Å²	164	104.7 Å²	104.7	76%	0.759	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	3.8	177.8	-102.1	62.2	0	0	0	115.4	F205 L207	F205-H209 WeakPolarHBondContact O-CB 3.18Å; F205-H209 PolarHBondContact O-N 2.99Å; L207-H209 PolarHBondContact O-N 3.06Å
210	S	40.1	Very low	48.2	Very low	84 Å²	84	101.5 Å²	101.5	59%	0.587	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-10.1	171.7	70.9	0	0	0	0	114.5	L207 D208	L207-S210 PolarHBondContact O-N 3.33Å; L207-S210 PolarHBondContact O-OG 3.06Å; D208-S210 PolarHBondContact O-N 3.35Å
211	V	40.8	Very low	48.3	Very low	64 Å²	64	98.6 Å²	98.6	39%	0.388	50%	0.498	S	S	.	.			trans	-113.7	56.9	-167.5	-160.1	0	0	0	0	112.9	D208 S213	D208-V211 PolarHBondContact O-N 3.21Å; V211-S213 PolarHBondContact O-N 2.84Å
212	S	38.2	Very low	48.7	Very low	133 Å²	133	94.1 Å²	94.1	93%	0.93	48%	0.477	S	S	*	.			trans	-76.3	75.6	162	-166.4	0	0	0	0	110
213	S	46.7	Very low	49.2	Very low	65 Å²	65	94.2 Å²	94.2	46%	0.455	48%	0.477	S	S	.	.	S	Bend	trans	-152.7	139.4	172.4	-175.7	0	0	0	0	108.1	V211 N215 G216	V211-S213 PolarHBondContact O-N 2.84Å; S213-N215 PolarHBondContact O-N 3.29Å; S213-G216 PolarHBondContact O-N 3.41Å
214	T	49.1	Very low	49.7	Very low	118 Å²	118	91.1 Å²	91.1	72%	0.724	47%	0.468	S	S	*	.	H	α-helix	trans	-58.2	-22.2	-170.5	48.3	0	0	0	0	114.7
215	N	47.3	Very low	50.5	Low	76 Å²	76	87.5 Å²	87.5	41%	0.406	45%	0.454	S	S	.	.	H	α-helix	trans	-71.3	-25.4	174.6	-64.6	-43.7	0	0	0	113.8	S213 R218 W219 Q247	S213-N215 PolarHBondContact O-N 3.29Å; N215-R218 PolarHBondContact O-N 3.04Å; N215-W219 PolarHBondContact O-N 2.85Å; N215-Q247 VanDerWaalsContact CG-NE2 3.27Å; N215-Q247 PolarHBondContact ND2-NE2 2.94Å; N215-Q247 PolarHBondContact OD1-NE2 2.99Å
216	G	53.6	Low	51.5	Low	16 Å²	16	86.9 Å²	86.9	17%	0.165	46%	0.456	C	S	.	.	H	α-helix	trans	-62.7	-50.6	-178.4	0	0	0	0	0	112.2	S213 R218 W219 Q220	S213-G216 PolarHBondContact O-N 3.41Å; G216-R218 VanDerWaalsContact C-N 3.3Å; G216-R218 PolarHBondContact O-N 3.41Å; G216-W219 PolarHBondContact O-N 2.91Å; G216-Q220 PolarHBondContact O-N 3.04Å
217	H	55.3	Low	52.4	Low	138 Å²	138	83 Å²	83	64%	0.639	46%	0.459	S	S	*	.	H	α-helix	trans	-59.7	-37	178.2	-65.8	-73.9	0	0	0	113.2	W219 Q220 I221	H217-W219 VanDerWaalsContact C-N 3.32Å; H217-W219 PolarHBondContact O-N 3.25Å; H217-Q220 PolarHBondContact O-N 2.77Å; H217-I221 WeakPolarHBondContact O-CG1 3.24Å; H217-I221 PolarHBondContact O-N 2.98Å
218	R	57.8	Low	53.1	Low	89 Å²	89	81.7 Å²	81.7	34%	0.336	46%	0.456	S	S	.	.	H	α-helix	trans	-65.9	-34.8	175.8	-58.2	-179	91.6	-156.4	9.7	111.9	N215 G216 F222 E243 L244	N215-R218 PolarHBondContact O-N 3.04Å; G216-R218 VanDerWaalsContact C-N 3.3Å; G216-R218 PolarHBondContact O-N 3.41Å; R218-F222 PolarHBondContact O-N 2.83Å; R218-E243 IonicContact CZ-OE2 3.72Å; R218-E243 IonicContact NH1-OE2 2.74Å; R218-E243 PolarHBondContact NH1-OE2 3.43Å; R218-E243 IonicContact NH2-OE2 2.82Å; R218-E243 PolarHBondContact NH2-OE2 2.88Å; R218-L244 HydrophobicContact CB-CD1 4.13Å; R218-L244 HydrophobicContact CB-CD2 3.63Å; R218-L244 WeakPolarHBondContact O-CD1 3.28Å
219	W	60.5	Low	53.9	Low	68 Å²	68	85.5 Å²	85.5	26%	0.258	48%	0.476	S	S	.	.	H	α-helix	trans	-75.9	-28.9	177.1	-164.7	-101	0	0	0	113.1	N215 G216 H217 F222 Q223 L244 L245 K248	N215-W219 PolarHBondContact O-N 2.85Å; G216-W219 PolarHBondContact O-N 2.91Å; H217-W219 VanDerWaalsContact C-N 3.32Å; H217-W219 PolarHBondContact O-N 3.25Å; W219-F222 HydrophobicContact CD2-CD1 4.37Å; W219-F222 HydrophobicContact CE3-CB 4.35Å; W219-F222 HydrophobicContact CE3-CD1 4.24Å; W219-F222 HydrophobicContact CE3-CG 4.25Å; W219-F222 AromaticContact CH2-CD1 3.75Å; W219-F222 HydrophobicContact CH2-CD1 3.75Å; W219-F222 AromaticContact CH2-CE1 3.64Å; W219-F222 HydrophobicContact CH2-CE1 3.64Å; W219-F222 HydrophobicContact CH2-CG 4.35Å; W219-F222 HydrophobicContact CH2-CZ 4.16Å; W219-F222 AromaticContact CZ2-CD1 3.9Å; W219-F222 HydrophobicContact CZ2-CD1 3.9Å; W219-F222 AromaticContact CZ2-CE1 3.94Å; W219-F222 HydrophobicContact CZ2-CE1 3.94Å; W219-F222 AromaticContact CZ3-CD1 3.93Å; W219-F222 HydrophobicContact CZ3-CD1 3.93Å; W219-F222 HydrophobicContact CZ3-CD2 4.39Å; W219-F222 HydrophobicContact CZ3-CE1 4.17Å; W219-F222 HydrophobicContact CZ3-CG 4.07Å; W219-F222 WeakPolarHBondContact O-CB 3.23Å; W219-F222 PolarHBondContact O-N 3.49Å; W219-Q223 PolarHBondContact O-N 2.96Å; W219-L244 HydrophobicContact CE3-CB 4.17Å; W219-L244 HydrophobicContact CZ3-CB 4.09Å; W219-L245 HydrophobicContact CH2-CD2 4.19Å; W219-K248 HydrophobicContact CH2-CB 4.04Å; W219-K248 HydrophobicContact CH2-CD 4.45Å; W219-K248 HydrophobicContact CH2-CG 3.92Å; W219-K248 HydrophobicContact CZ2-CD 4.44Å; W219-K248 HydrophobicContact CZ2-CG 4.24Å; W219-K248 HydrophobicContact CZ3-CB 3.89Å; W219-K248 HydrophobicContact CZ3-CG 4.18Å
220	Q	60	Low	54.8	Low	56 Å²	56	86 Å²	86	26%	0.262	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-49.2	170.2	-140.3	80	-7.9	0	0	110.5	D208 G216 H217 F222 Q223 D224	D208-Q220 PolarHBondContact OD1-NE2 2.73Å; G216-Q220 PolarHBondContact O-N 3.04Å; H217-Q220 PolarHBondContact O-N 2.77Å; Q220-F222 VanDerWaalsContact C-N 3.27Å; Q220-F222 PolarHBondContact O-N 2.86Å; Q220-Q223 WeakPolarHBondContact O-CA 3.29Å; Q220-Q223 WeakPolarHBondContact O-CB 3.32Å; Q220-Q223 PolarHBondContact O-N 2.78Å; Q220-D224 PolarHBondContact O-N 2.63Å
221	I	64.1	Low	55.6	Low	74 Å²	74	89.4 Å²	89.4	38%	0.379	49%	0.49	S	S	.	.	H	α-helix	trans	-56.8	-40.2	177.2	-65.9	163.7	0	0	0	111.5	H217 Q223 D224 W225	H217-I221 WeakPolarHBondContact O-CG1 3.24Å; H217-I221 PolarHBondContact O-N 2.98Å; I221-Q223 VanDerWaalsContact C-N 3.33Å; I221-Q223 PolarHBondContact O-N 2.97Å; I221-D224 PolarHBondContact O-N 2.95Å; I221-W225 HydrophobicContact CG2-CD2 3.89Å; I221-W225 HydrophobicContact CG2-CE3 4.28Å; I221-W225 HydrophobicContact CG2-CG 4.47Å; I221-W225 HydrophobicContact CG2-CH2 4.2Å; I221-W225 HydrophobicContact CG2-CZ2 3.74Å; I221-W225 HydrophobicContact CG2-CZ3 4.43Å; I221-W225 WeakPolarHBondContact O-CB 3.26Å; I221-W225 VanDerWaalsContact O-CG 3.29Å; I221-W225 PolarHBondContact O-N 2.87Å
222	F	62.7	Low	56.4	Low	15 Å²	15	92.9 Å²	92.9	7%	0.066	51%	0.507	C	S	.	.	H	α-helix	trans	-61.4	-37.2	174.2	176.9	-86.6	0	0	0	113.1	R218 W219 Q220 L226 M241 L244 L245	R218-F222 PolarHBondContact O-N 2.83Å; W219-F222 HydrophobicContact CD2-CD1 4.37Å; W219-F222 HydrophobicContact CE3-CB 4.35Å; W219-F222 HydrophobicContact CE3-CD1 4.24Å; W219-F222 HydrophobicContact CE3-CG 4.25Å; W219-F222 AromaticContact CH2-CD1 3.75Å; W219-F222 HydrophobicContact CH2-CD1 3.75Å; W219-F222 AromaticContact CH2-CE1 3.64Å; W219-F222 HydrophobicContact CH2-CE1 3.64Å; W219-F222 HydrophobicContact CH2-CG 4.35Å; W219-F222 HydrophobicContact CH2-CZ 4.16Å; W219-F222 AromaticContact CZ2-CD1 3.9Å; W219-F222 HydrophobicContact CZ2-CD1 3.9Å; W219-F222 AromaticContact CZ2-CE1 3.94Å; W219-F222 HydrophobicContact CZ2-CE1 3.94Å; W219-F222 AromaticContact CZ3-CD1 3.93Å; W219-F222 HydrophobicContact CZ3-CD1 3.93Å; W219-F222 HydrophobicContact CZ3-CD2 4.39Å; W219-F222 HydrophobicContact CZ3-CE1 4.17Å; W219-F222 HydrophobicContact CZ3-CG 4.07Å; W219-F222 WeakPolarHBondContact O-CB 3.23Å; W219-F222 PolarHBondContact O-N 3.49Å; Q220-F222 VanDerWaalsContact C-N 3.27Å; Q220-F222 PolarHBondContact O-N 2.86Å; F222-L226 HydrophobicContact CD1-CD1 4.03Å; F222-L226 HydrophobicContact CE1-CD1 3.46Å; F222-L226 VanDerWaalsContact CE1-CD1 3.46Å; F222-L226 HydrophobicContact CE1-CG 4.45Å; F222-L226 HydrophobicContact CZ-CD1 3.94Å; F222-L226 WeakPolarHBondContact O-CG 3.25Å; F222-L226 PolarHBondContact O-N 2.97Å; F222-M241 HydrophobicContact CD2-CB 3.98Å; F222-M241 HydrophobicContact CD2-CE 4.16Å; F222-M241 HydrophobicContact CD2-CG 3.78Å; F222-M241 HydrophobicContact CE2-CB 3.81Å; F222-M241 HydrophobicContact CE2-CE 3.75Å; F222-M241 HydrophobicContact CE2-CG 3.95Å; F222-M241 HydrophobicContact CZ-CE 4.27Å; F222-L244 HydrophobicContact CB-CD1 4.12Å; F222-L245 HydrophobicContact CE2-CD1 3.93Å; F222-L245 HydrophobicContact CE2-CD2 4.22Å; F222-L245 HydrophobicContact CE2-CG 3.76Å; F222-L245 HydrophobicContact CZ-CD1 4.05Å; F222-L245 HydrophobicContact CZ-CD2 3.78Å; F222-L245 HydrophobicContact CZ-CG 3.85Å
223	Q	61	Low	57.9	Low	97 Å²	97	89.8 Å²	89.8	45%	0.453	48%	0.479	S	S	.	.	H	α-helix	trans	-74.2	-38.3	176.3	-69.5	-173.4	-26.5	0	0	112.2	W219 Q220 I221 L226 G227	W219-Q223 PolarHBondContact O-N 2.96Å; Q220-Q223 WeakPolarHBondContact O-CA 3.29Å; Q220-Q223 WeakPolarHBondContact O-CB 3.32Å; Q220-Q223 PolarHBondContact O-N 2.78Å; I221-Q223 VanDerWaalsContact C-N 3.33Å; I221-Q223 PolarHBondContact O-N 2.97Å; Q223-L226 PolarHBondContact O-N 2.89Å; Q223-G227 PolarHBondContact O-N 2.85Å
224	D	63.6	Low	59.4	Low	83 Å²	83	90.7 Å²	90.7	44%	0.444	48%	0.479	S	S	.	.	H	α-helix	trans	-66	-39.3	177.6	-61.7	-33.6	0	0	0	110.9	Q220 I221 L226 G227 T228	Q220-D224 PolarHBondContact O-N 2.63Å; I221-D224 PolarHBondContact O-N 2.95Å; D224-L226 VanDerWaalsContact C-N 3.31Å; D224-L226 PolarHBondContact O-N 2.86Å; D224-G227 PolarHBondContact O-N 3.18Å; D224-T228 PolarHBondContact O-N 2.86Å
225	W	64.2	Low	60.8	Low	54 Å²	54	91.4 Å²	91.4	21%	0.205	48%	0.478	C	S	.	.	H	α-helix	trans	-64.2	-28	173.6	-72.8	-15.6	0	0	0	114.8	I221 G227 T228 N237 L240 M241	I221-W225 HydrophobicContact CG2-CD2 3.89Å; I221-W225 HydrophobicContact CG2-CE3 4.28Å; I221-W225 HydrophobicContact CG2-CG 4.47Å; I221-W225 HydrophobicContact CG2-CH2 4.2Å; I221-W225 HydrophobicContact CG2-CZ2 3.74Å; I221-W225 HydrophobicContact CG2-CZ3 4.43Å; I221-W225 WeakPolarHBondContact O-CB 3.26Å; I221-W225 VanDerWaalsContact O-CG 3.29Å; I221-W225 PolarHBondContact O-N 2.87Å; W225-G227 PolarHBondContact O-N 3.48Å; W225-T228 PolarHBondContact O-OG1 2.8Å; W225-N237 HydrophobicContact CE3-CB 4.29Å; W225-N237 HydrophobicContact CH2-CB 3.58Å; W225-N237 WeakPolarHBondContact CH2-OD1 3.5Å; W225-N237 HydrophobicContact CZ2-CB 3.94Å; W225-N237 VanDerWaalsContact CZ2-CG 3.45Å; W225-N237 WeakPolarHBondContact CZ2-OD1 3.29Å; W225-N237 HydrophobicContact CZ3-CB 3.8Å; W225-N237 WeakPolarHBondContact CZ3-O 3.39Å; W225-L240 HydrophobicContact CH2-CB 4.25Å; W225-L240 HydrophobicContact CH2-CD2 3.68Å; W225-L240 HydrophobicContact CH2-CG 4.29Å; W225-L240 HydrophobicContact CZ3-CB 4.11Å; W225-L240 HydrophobicContact CZ3-CD2 3.99Å; W225-L240 HydrophobicContact CZ3-CG 4.16Å; W225-M241 HydrophobicContact CE3-CG 3.63Å; W225-M241 HydrophobicContact CE3-SD 4.12Å; W225-M241 HydrophobicContact CZ3-CG 3.9Å
226	L	62.2	Low	62.3	Low	119 Å²	119	90.9 Å²	90.9	62%	0.623	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-8.6	172.6	-73.7	171.1	0	0	0	113	F222 Q223 D224 M241	F222-L226 HydrophobicContact CD1-CD1 4.03Å; F222-L226 HydrophobicContact CE1-CD1 3.46Å; F222-L226 VanDerWaalsContact CE1-CD1 3.46Å; F222-L226 HydrophobicContact CE1-CG 4.45Å; F222-L226 HydrophobicContact CZ-CD1 3.94Å; F222-L226 WeakPolarHBondContact O-CG 3.25Å; F222-L226 PolarHBondContact O-N 2.97Å; Q223-L226 PolarHBondContact O-N 2.89Å; D224-L226 VanDerWaalsContact C-N 3.31Å; D224-L226 PolarHBondContact O-N 2.86Å; L226-M241 HydrophobicContact CD2-CE 3.87Å; L226-M241 HydrophobicContact CG-CE 4.15Å
227	G	58.1	Low	63.5	Low	70 Å²	70	92 Å²	92	72%	0.722	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-1.9	177.7	0	0	0	0	0	115.2	Q223 D224 W225	Q223-G227 PolarHBondContact O-N 2.85Å; D224-G227 PolarHBondContact O-N 3.18Å; W225-G227 PolarHBondContact O-N 3.48Å
228	T	56.6	Low	64.6	Low	80 Å²	80	88.1 Å²	88.1	49%	0.491	47%	0.472	S	S	.	.	S	Bend	trans	-100.7	153.2	177.6	48.7	0	0	0	0	112.3	D224 W225 Q230	D224-T228 PolarHBondContact O-N 2.86Å; W225-T228 PolarHBondContact O-OG1 2.8Å; T228-Q230 PolarHBondContact O-N 2.65Å
229	D	53.1	Low	65.8	Low	132 Å²	132	88.3 Å²	88.3	71%	0.706	48%	0.48	S	S	*	.			trans	-51.6	133.6	177.3	-65.8	-54.1	0	0	0	112.5	D231	D229-D231 PolarHBondContact O-N 3.35Å; D229-D231 VanDerWaalsContact O-N 3.12Å
230	Q	56.3	Low	66.9	Low	174 Å²	174	87.1 Å²	87.1	81%	0.813	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-64.7	-21.2	-168.6	-64.6	-178.3	-5	0	0	113.8	T228 N232 L233	T228-Q230 PolarHBondContact O-N 2.65Å; Q230-N232 PolarHBondContact O-N 3.47Å; Q230-N232 VanDerWaalsContact O-N 3.07Å; Q230-L233 PolarHBondContact O-N 3.1Å
231	D	56.4	Low	67.7	Low	156 Å²	156	85.7 Å²	85.7	83%	0.834	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-65.4	-10.1	-174.3	-64.3	-32	0	0	0	114.9	D229	D229-D231 PolarHBondContact O-N 3.35Å; D229-D231 VanDerWaalsContact O-N 3.12Å
232	N	57.8	Low	68.6	Low	137 Å²	137	86.7 Å²	86.7	73%	0.733	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-110.1	11	-178	-75.4	-64.4	0	0	0	115.1	Q230 D234	Q230-N232 PolarHBondContact O-N 3.47Å; Q230-N232 VanDerWaalsContact O-N 3.07Å; N232-D234 PolarHBondContact O-N 3.43Å
233	L	69.6	Low	69.7	Low	68 Å²	68	90.8 Å²	90.8	36%	0.356	50%	0.497	S	S	.	.			trans	-79.3	104.6	175.6	-92.2	71.4	0	0	0	111.9	Q230 V238 M241	Q230-L233 PolarHBondContact O-N 3.1Å; L233-V238 HydrophobicContact CB-CG2 4.46Å; L233-V238 HydrophobicContact CD2-CG2 4.36Å; L233-M241 HydrophobicContact CD2-SD 3.98Å
234	D	78.1	Confident	70.7	Confident	85 Å²	85	86.4 Å²	86.4	46%	0.455	48%	0.477	S	S	.	.			trans	-78.2	167.7	168.5	80.9	27.5	0	0	0	113.2	N232 A236 N237 V238	N232-D234 PolarHBondContact O-N 3.43Å; D234-A236 VanDerWaalsContact C-N 3.27Å; D234-A236 PolarHBondContact O-N 3.33Å; D234-A236 VanDerWaalsContact OD1-CA 3.32Å; D234-A236 WeakPolarHBondContact OD1-CA 3.32Å; D234-A236 VanDerWaalsContact OD1-CB 3.3Å; D234-A236 WeakPolarHBondContact OD1-CB 3.17Å; D234-A236 PolarHBondContact OD1-N 3.27Å; D234-N237 PolarHBondContact O-N 3.1Å; D234-N237 PolarHBondContact OD1-N 3.45Å; D234-V238 WeakPolarHBondContact O-CG2 3.5Å; D234-V238 PolarHBondContact O-N 3.18Å; D234-V238 VanDerWaalsContact O-N 3.08Å
235	L	78.5	Confident	71.5	Confident	132 Å²	132	86.2 Å²	86.2	69%	0.691	48%	0.475	S	S	*	.	H	α-helix	trans	-66.4	-24.4	-179	-176.8	59.3	0	0	0	113.4	N239	L235-N239 WeakPolarHBondContact O-CB 3.4Å; L235-N239 PolarHBondContact O-N 3.07Å; L235-N239 VanDerWaalsContact O-N 3.1Å; L235-N239 PolarHBondContact O-ND2 3.26Å
236	A	79.3	Confident	72.5	Confident	65 Å²	65	87.2 Å²	87.2	54%	0.537	49%	0.487	S	S	.	.	H	α-helix	trans	-74.4	-39.7	175.5	0	0	0	0	0	110.8	D234 N239 L240	D234-A236 VanDerWaalsContact C-N 3.27Å; D234-A236 PolarHBondContact O-N 3.33Å; D234-A236 VanDerWaalsContact OD1-CA 3.32Å; D234-A236 WeakPolarHBondContact OD1-CA 3.32Å; D234-A236 VanDerWaalsContact OD1-CB 3.3Å; D234-A236 WeakPolarHBondContact OD1-CB 3.17Å; D234-A236 PolarHBondContact OD1-N 3.27Å; A236-N239 PolarHBondContact O-N 3.19Å; A236-L240 WeakPolarHBondContact O-CB 3.32Å; A236-L240 PolarHBondContact O-N 2.95Å
237	N	78.5	Confident	73.6	Confident	40 Å²	40	84.8 Å²	84.8	21%	0.214	47%	0.473	C	S	.	.	H	α-helix	trans	-62.7	-47.1	174.2	-63.1	-20	0	0	0	110.7	W225 D234 N239 L240 M241	W225-N237 HydrophobicContact CE3-CB 4.29Å; W225-N237 HydrophobicContact CH2-CB 3.58Å; W225-N237 WeakPolarHBondContact CH2-OD1 3.5Å; W225-N237 HydrophobicContact CZ2-CB 3.94Å; W225-N237 VanDerWaalsContact CZ2-CG 3.45Å; W225-N237 WeakPolarHBondContact CZ2-OD1 3.29Å; W225-N237 HydrophobicContact CZ3-CB 3.8Å; W225-N237 WeakPolarHBondContact CZ3-O 3.39Å; D234-N237 PolarHBondContact O-N 3.1Å; D234-N237 PolarHBondContact OD1-N 3.45Å; N237-N239 PolarHBondContact O-N 3.23Å; N237-L240 PolarHBondContact O-N 3.03Å; N237-L240 VanDerWaalsContact O-N 3.16Å; N237-M241 WeakPolarHBondContact O-CG 3.44Å; N237-M241 PolarHBondContact O-N 3.33Å
238	V	78.6	Confident	74.7	Confident	57 Å²	57	84.4 Å²	84.4	35%	0.345	45%	0.451	S	S	.	.	H	α-helix	trans	-59.4	-43.3	175	174.6	0	0	0	0	111.9	L233 D234 L240 M241 L242	L233-V238 HydrophobicContact CB-CG2 4.46Å; L233-V238 HydrophobicContact CD2-CG2 4.36Å; D234-V238 WeakPolarHBondContact O-CG2 3.5Å; D234-V238 PolarHBondContact O-N 3.18Å; D234-V238 VanDerWaalsContact O-N 3.08Å; V238-L240 PolarHBondContact O-N 2.91Å; V238-M241 WeakPolarHBondContact O-CB 3.45Å; V238-M241 PolarHBondContact O-N 2.92Å; V238-L242 HydrophobicContact CG1-CD1 4.34Å; V238-L242 WeakPolarHBondContact O-CG 3.41Å; V238-L242 PolarHBondContact O-N 2.92Å
239	N	82.6	Confident	75.9	Confident	92 Å²	92	86.7 Å²	86.7	49%	0.492	45%	0.454	S	S	.	.	H	α-helix	trans	-66.3	-35.9	176	-80.6	-60.7	0	0	0	112.8	L235 A236 N237 L242 E243	L235-N239 WeakPolarHBondContact O-CB 3.4Å; L235-N239 PolarHBondContact O-N 3.07Å; L235-N239 VanDerWaalsContact O-N 3.1Å; L235-N239 PolarHBondContact O-ND2 3.26Å; A236-N239 PolarHBondContact O-N 3.19Å; N237-N239 PolarHBondContact O-N 3.23Å; N239-L242 PolarHBondContact O-N 2.72Å; N239-E243 PolarHBondContact O-N 2.67Å
240	L	82.9	Confident	77.3	Confident	44 Å²	44	86.8 Å²	86.8	23%	0.23	45%	0.448	C	S	.	.	H	α-helix	trans	-67.5	-39.7	173.3	179.5	57.5	0	0	0	111.7	W225 A236 N237 V238 L242 E243 L244	W225-L240 HydrophobicContact CH2-CB 4.25Å; W225-L240 HydrophobicContact CH2-CD2 3.68Å; W225-L240 HydrophobicContact CH2-CG 4.29Å; W225-L240 HydrophobicContact CZ3-CB 4.11Å; W225-L240 HydrophobicContact CZ3-CD2 3.99Å; W225-L240 HydrophobicContact CZ3-CG 4.16Å; A236-L240 WeakPolarHBondContact O-CB 3.32Å; A236-L240 PolarHBondContact O-N 2.95Å; N237-L240 PolarHBondContact O-N 3.03Å; N237-L240 VanDerWaalsContact O-N 3.16Å; V238-L240 PolarHBondContact O-N 2.91Å; L240-L242 VanDerWaalsContact C-N 3.31Å; L240-L242 PolarHBondContact O-N 3.4Å; L240-E243 PolarHBondContact O-N 3.03Å; L240-L244 HydrophobicContact CD1-CD1 3.99Å; L240-L244 HydrophobicContact CD1-CG 3.96Å; L240-L244 HydrophobicContact CG-CD1 3.9Å; L240-L244 HydrophobicContact CG-CG 4.34Å; L240-L244 WeakPolarHBondContact O-CB 3.46Å; L240-L244 VanDerWaalsContact O-CG 3.27Å; L240-L244 WeakPolarHBondContact O-CG 3.41Å; L240-L244 PolarHBondContact O-N 2.69Å
241	M	77.9	Confident	78.5	Confident	25 Å²	25	82.5 Å²	82.5	12%	0.123	43%	0.428	C	S	.	.	H	α-helix	trans	-58.7	-44.2	173.1	-71.2	178.6	80.9	0	0	111.2	F222 W225 L226 L233 N237 V238 L244 L245	F222-M241 HydrophobicContact CD2-CB 3.98Å; F222-M241 HydrophobicContact CD2-CE 4.16Å; F222-M241 HydrophobicContact CD2-CG 3.78Å; F222-M241 HydrophobicContact CE2-CB 3.81Å; F222-M241 HydrophobicContact CE2-CE 3.75Å; F222-M241 HydrophobicContact CE2-CG 3.95Å; F222-M241 HydrophobicContact CZ-CE 4.27Å; W225-M241 HydrophobicContact CE3-CG 3.63Å; W225-M241 HydrophobicContact CE3-SD 4.12Å; W225-M241 HydrophobicContact CZ3-CG 3.9Å; L226-M241 HydrophobicContact CD2-CE 3.87Å; L226-M241 HydrophobicContact CG-CE 4.15Å; L233-M241 HydrophobicContact CD2-SD 3.98Å; N237-M241 WeakPolarHBondContact O-CG 3.44Å; N237-M241 PolarHBondContact O-N 3.33Å; V238-M241 WeakPolarHBondContact O-CB 3.45Å; V238-M241 PolarHBondContact O-N 2.92Å; M241-L244 PolarHBondContact O-N 2.71Å; M241-L245 WeakPolarHBondContact O-CB 3.34Å; M241-L245 VanDerWaalsContact O-CG 3.26Å; M241-L245 WeakPolarHBondContact O-CG 3.43Å; M241-L245 PolarHBondContact O-N 3.47Å
242	L	83.2	Confident	79.4	Confident	96 Å²	96	79 Å²	79	50%	0.503	41%	0.409	S	S	.	.	H	α-helix	trans	-64.6	-42.7	175	-70.4	170.8	0	0	0	112.6	V238 N239 L240 L244 L245 V246	V238-L242 HydrophobicContact CG1-CD1 4.34Å; V238-L242 WeakPolarHBondContact O-CG 3.41Å; V238-L242 PolarHBondContact O-N 2.92Å; N239-L242 PolarHBondContact O-N 2.72Å; L240-L242 VanDerWaalsContact C-N 3.31Å; L240-L242 PolarHBondContact O-N 3.4Å; L242-L244 PolarHBondContact O-N 3.07Å; L242-L245 PolarHBondContact O-N 2.89Å; L242-V246 WeakPolarHBondContact O-CB 3.2Å; L242-V246 VanDerWaalsContact O-CG2 3.32Å; L242-V246 WeakPolarHBondContact O-CG2 3.3Å; L242-V246 PolarHBondContact O-N 3.37Å
243	E	85.5	Confident	80.5	Confident	101 Å²	101	77.1 Å²	77.1	47%	0.472	40%	0.396	S	S	.	.	H	α-helix	trans	-59.2	-47.9	174.8	-173.3	-172.6	-129.1	0	0	111.1	R218 N239 L240 V246 Q247	R218-E243 IonicContact CZ-OE2 3.72Å; R218-E243 IonicContact NH1-OE2 2.74Å; R218-E243 PolarHBondContact NH1-OE2 3.43Å; R218-E243 IonicContact NH2-OE2 2.82Å; R218-E243 PolarHBondContact NH2-OE2 2.88Å; N239-E243 PolarHBondContact O-N 2.67Å; L240-E243 PolarHBondContact O-N 3.03Å; E243-V246 PolarHBondContact O-N 3.45Å; E243-Q247 WeakPolarHBondContact O-CB 3.43Å; E243-Q247 PolarHBondContact O-N 3.39Å
244	L	82.5	Confident	81	Confident	5 Å²	5	76.8 Å²	76.8	3%	0.026	40%	0.403	C	S	.	.	H	α-helix	trans	-67	-37.7	-179.1	-67.5	171.2	0	0	0	112.1	R218 W219 F222 L240 M241 L242 Q247 K248	R218-L244 HydrophobicContact CB-CD1 4.13Å; R218-L244 HydrophobicContact CB-CD2 3.63Å; R218-L244 WeakPolarHBondContact O-CD1 3.28Å; W219-L244 HydrophobicContact CE3-CB 4.17Å; W219-L244 HydrophobicContact CZ3-CB 4.09Å; F222-L244 HydrophobicContact CB-CD1 4.12Å; L240-L244 HydrophobicContact CD1-CD1 3.99Å; L240-L244 HydrophobicContact CD1-CG 3.96Å; L240-L244 HydrophobicContact CG-CD1 3.9Å; L240-L244 HydrophobicContact CG-CG 4.34Å; L240-L244 WeakPolarHBondContact O-CB 3.46Å; L240-L244 VanDerWaalsContact O-CG 3.27Å; L240-L244 WeakPolarHBondContact O-CG 3.41Å; L240-L244 PolarHBondContact O-N 2.69Å; M241-L244 PolarHBondContact O-N 2.71Å; L242-L244 PolarHBondContact O-N 3.07Å; L244-Q247 PolarHBondContact O-N 3.05Å; L244-K248 VanDerWaalsContact O-CB 3.23Å; L244-K248 WeakPolarHBondContact O-CB 3.35Å; L244-K248 PolarHBondContact O-N 3.18Å
245	L	80.2	Confident	81	Confident	79 Å²	79	75.3 Å²	75.3	41%	0.414	39%	0.394	S	S	.	.	H	α-helix	trans	-64.8	-41.7	172.7	-77.3	166.5	0	0	0	111.9	W219 F222 M241 L242 K248 K249	W219-L245 HydrophobicContact CH2-CD2 4.19Å; F222-L245 HydrophobicContact CE2-CD1 3.93Å; F222-L245 HydrophobicContact CE2-CD2 4.22Å; F222-L245 HydrophobicContact CE2-CG 3.76Å; F222-L245 HydrophobicContact CZ-CD1 4.05Å; F222-L245 HydrophobicContact CZ-CD2 3.78Å; F222-L245 HydrophobicContact CZ-CG 3.85Å; M241-L245 WeakPolarHBondContact O-CB 3.34Å; M241-L245 VanDerWaalsContact O-CG 3.26Å; M241-L245 WeakPolarHBondContact O-CG 3.43Å; M241-L245 PolarHBondContact O-N 3.47Å; L242-L245 PolarHBondContact O-N 2.89Å; L245-K248 PolarHBondContact O-N 3.36Å; L245-K249 VanDerWaalsContact O-CB 3.29Å; L245-K249 WeakPolarHBondContact O-CB 3.18Å; L245-K249 PolarHBondContact O-N 2.87Å
246	V	85.2	Confident	81	Confident	74 Å²	74	71 Å²	71	45%	0.448	37%	0.374	S	S	.	.	H	α-helix	trans	-66	-39.9	174.4	168.6	0	0	0	0	111.4	L242 E243 K250	L242-V246 WeakPolarHBondContact O-CB 3.2Å; L242-V246 VanDerWaalsContact O-CG2 3.32Å; L242-V246 WeakPolarHBondContact O-CG2 3.3Å; L242-V246 PolarHBondContact O-N 3.37Å; E243-V246 PolarHBondContact O-N 3.45Å; V246-K250 HydrophobicContact CG1-CD 4.28Å; V246-K250 WeakPolarHBondContact O-CG 3.33Å; V246-K250 PolarHBondContact O-N 3.42Å
247	Q	84.6	Confident	81	Confident	69 Å²	69	72 Å²	72	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-64.7	-42.1	174.5	-171.3	-180	3.2	0	0	111.2	N215 E243 L244 K250 Q251	N215-Q247 VanDerWaalsContact CG-NE2 3.27Å; N215-Q247 PolarHBondContact ND2-NE2 2.94Å; N215-Q247 PolarHBondContact OD1-NE2 2.99Å; E243-Q247 WeakPolarHBondContact O-CB 3.43Å; E243-Q247 PolarHBondContact O-N 3.39Å; L244-Q247 PolarHBondContact O-N 3.05Å; Q247-K250 PolarHBondContact O-N 2.85Å; Q247-Q251 PolarHBondContact O-N 3.3Å
248	K	80.7	Confident	81.1	Confident	61 Å²	61	72 Å²	72	27%	0.265	37%	0.373	S	S	.	.	H	α-helix	trans	-68.6	-40.3	178.3	-169.3	71.6	-161.4	169.1	0	112.1	W219 L244 L245 Q251 L252	W219-K248 HydrophobicContact CH2-CB 4.04Å; W219-K248 HydrophobicContact CH2-CD 4.45Å; W219-K248 HydrophobicContact CH2-CG 3.92Å; W219-K248 HydrophobicContact CZ2-CD 4.44Å; W219-K248 HydrophobicContact CZ2-CG 4.24Å; W219-K248 HydrophobicContact CZ3-CB 3.89Å; W219-K248 HydrophobicContact CZ3-CG 4.18Å; L244-K248 VanDerWaalsContact O-CB 3.23Å; L244-K248 WeakPolarHBondContact O-CB 3.35Å; L244-K248 PolarHBondContact O-N 3.18Å; L245-K248 PolarHBondContact O-N 3.36Å; K248-Q251 WeakPolarHBondContact O-CB 3.35Å; K248-Q251 PolarHBondContact O-N 3.01Å; K248-L252 HydrophobicContact CG-CD1 4.28Å; K248-L252 WeakPolarHBondContact O-CG 3.48Å; K248-L252 PolarHBondContact O-N 2.97Å
249	K	82.8	Confident	81.1	Confident	129 Å²	129	69.5 Å²	69.5	56%	0.561	36%	0.358	S	S	*	.	H	α-helix	trans	-56.2	-53.3	170.9	172.8	169.3	174.8	172.4	0	110.7	L245 Q251 L252 E253	L245-K249 VanDerWaalsContact O-CB 3.29Å; L245-K249 WeakPolarHBondContact O-CB 3.18Å; L245-K249 PolarHBondContact O-N 2.87Å; K249-Q251 VanDerWaalsContact C-N 3.28Å; K249-Q251 PolarHBondContact O-N 2.59Å; K249-L252 PolarHBondContact O-N 3.32Å; K249-E253 WeakPolarHBondContact CE-OE1 3.38Å; K249-E253 HydrophobicContact CG-CG 4.3Å; K249-E253 WeakPolarHBondContact CG-OE1 3.2Å; K249-E253 IonicContact NZ-OE1 3.88Å; K249-E253 WeakPolarHBondContact O-CB 3.24Å; K249-E253 VanDerWaalsContact O-CG 3.31Å; K249-E253 WeakPolarHBondContact O-CG 3.4Å; K249-E253 PolarHBondContact O-N 2.92Å
250	K	82.9	Confident	80.9	Confident	134 Å²	134	67 Å²	67	58%	0.583	34%	0.344	S	S	*	.	H	α-helix	trans	-58.1	-37.1	176.7	-72.9	173	-179.4	176.6	0	113.2	V246 Q247 E253 A254	V246-K250 HydrophobicContact CG1-CD 4.28Å; V246-K250 WeakPolarHBondContact O-CG 3.33Å; V246-K250 PolarHBondContact O-N 3.42Å; Q247-K250 PolarHBondContact O-N 2.85Å; K250-E253 WeakPolarHBondContact CA-OE2 3.41Å; K250-A254 WeakPolarHBondContact O-CB 3.33Å; K250-A254 PolarHBondContact O-N 3.37Å
251	Q	81.3	Confident	80.9	Confident	83 Å²	83	68.7 Å²	68.7	39%	0.388	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-49.5	173.1	-176.4	-172.3	1.8	0	0	111.4	Q247 K248 K249 E253 A254 E255	Q247-Q251 PolarHBondContact O-N 3.3Å; K248-Q251 WeakPolarHBondContact O-CB 3.35Å; K248-Q251 PolarHBondContact O-N 3.01Å; K249-Q251 VanDerWaalsContact C-N 3.28Å; K249-Q251 PolarHBondContact O-N 2.59Å; Q251-E253 PolarHBondContact O-N 2.93Å; Q251-A254 PolarHBondContact O-N 3.04Å; Q251-E255 HydrophobicContact CG-CG 4.48Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.38Å; Q251-E255 PolarHBondContact NE2-OE1 3.49Å; Q251-E255 WeakPolarHBondContact O-CB 3.5Å; Q251-E255 WeakPolarHBondContact O-CG 3.5Å; Q251-E255 PolarHBondContact O-N 2.81Å
252	L	75.8	Confident	81.2	Confident	84 Å²	84	69.6 Å²	69.6	44%	0.44	36%	0.357	S	S	.	.	H	α-helix	trans	-67.1	-35.7	-178	-68.5	170	0	0	0	112.3	K248 K249 S256	K248-L252 HydrophobicContact CG-CD1 4.28Å; K248-L252 WeakPolarHBondContact O-CG 3.48Å; K248-L252 PolarHBondContact O-N 2.97Å; K249-L252 PolarHBondContact O-N 3.32Å; L252-S256 VanDerWaalsContact O-CB 3.31Å; L252-S256 WeakPolarHBondContact O-CB 3.45Å; L252-S256 PolarHBondContact O-N 3.34Å
253	E	80.6	Confident	81.3	Confident	97 Å²	97	65.2 Å²	65.2	45%	0.453	33%	0.333	S	S	.	.	H	α-helix	trans	-60.5	-49.5	171.1	-72.2	168	158.3	0	0	110.9	K249 K250 Q251 S256 H257	K249-E253 WeakPolarHBondContact CE-OE1 3.38Å; K249-E253 HydrophobicContact CG-CG 4.3Å; K249-E253 WeakPolarHBondContact CG-OE1 3.2Å; K249-E253 IonicContact NZ-OE1 3.88Å; K249-E253 WeakPolarHBondContact O-CB 3.24Å; K249-E253 VanDerWaalsContact O-CG 3.31Å; K249-E253 WeakPolarHBondContact O-CG 3.4Å; K249-E253 PolarHBondContact O-N 2.92Å; K250-E253 WeakPolarHBondContact CA-OE2 3.41Å; Q251-E253 PolarHBondContact O-N 2.93Å; E253-S256 PolarHBondContact O-N 2.85Å; E253-H257 WeakPolarHBondContact O-CB 3.33Å; E253-H257 PolarHBondContact O-N 3.39Å
254	A	78.5	Confident	81.2	Confident	61 Å²	61	61 Å²	61	50%	0.504	31%	0.314	S	S	.	.	H	α-helix	trans	-64.6	-39.4	177.7	0	0	0	0	0	113	K250 Q251 A258	K250-A254 WeakPolarHBondContact O-CB 3.33Å; K250-A254 PolarHBondContact O-N 3.37Å; Q251-A254 PolarHBondContact O-N 3.04Å; A254-A258 WeakPolarHBondContact O-CB 3.44Å; A254-A258 PolarHBondContact O-N 2.85Å
255	E	79.9	Confident	81.4	Confident	54 Å²	54	65.2 Å²	65.2	25%	0.252	34%	0.335	S	S	.	.	H	α-helix	trans	-66.5	-41.2	175	-75.6	179.1	-164.2	0	0	111.8	Q251 A258 A259 Y329	Q251-E255 HydrophobicContact CG-CG 4.48Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.38Å; Q251-E255 PolarHBondContact NE2-OE1 3.49Å; Q251-E255 WeakPolarHBondContact O-CB 3.5Å; Q251-E255 WeakPolarHBondContact O-CG 3.5Å; Q251-E255 PolarHBondContact O-N 2.81Å; E255-A258 PolarHBondContact O-N 3.46Å; E255-A259 PolarHBondContact O-N 2.88Å; E255-Y329 HydrophobicContact CB-CD2 4.45Å
256	S	77.8	Confident	81.6	Confident	40 Å²	40	63.5 Å²	63.5	28%	0.28	33%	0.325	S	S	.	.	H	α-helix	trans	-66	-41	176	-167	0	0	0	0	111.8	L252 E253 A259 Q260 R336	L252-S256 VanDerWaalsContact O-CB 3.31Å; L252-S256 WeakPolarHBondContact O-CB 3.45Å; L252-S256 PolarHBondContact O-N 3.34Å; E253-S256 PolarHBondContact O-N 2.85Å; S256-A259 PolarHBondContact O-N 2.99Å; S256-Q260 WeakPolarHBondContact O-CG 3.22Å; S256-Q260 PolarHBondContact O-N 3.25Å; S256-R336 PolarHBondContact OG-NH2 3.32Å
257	H	78.4	Confident	81.7	Confident	88 Å²	88	60 Å²	60	41%	0.407	30%	0.303	S	S	.	.	H	α-helix	trans	-65.6	-41.6	175.5	-174.4	-115.5	0	0	0	112.2	E253 A259 Q260 L261 Q373	E253-H257 WeakPolarHBondContact O-CB 3.33Å; E253-H257 PolarHBondContact O-N 3.39Å; H257-A259 VanDerWaalsContact C-N 3.29Å; H257-A259 PolarHBondContact O-N 2.91Å; H257-Q260 WeakPolarHBondContact O-CB 3.37Å; H257-Q260 PolarHBondContact O-N 2.85Å; H257-L261 PolarHBondContact O-N 2.9Å; H257-Q373 PolarHBondContact NE2-NE2 3.2Å
258	A	82.1	Confident	81.8	Confident	40 Å²	40	59 Å²	59	33%	0.331	30%	0.3	S	S	.	.	H	α-helix	trans	-60.8	-38.9	173.1	0	0	0	0	0	112.1	A254 E255 Q262	A254-A258 WeakPolarHBondContact O-CB 3.44Å; A254-A258 PolarHBondContact O-N 2.85Å; E255-A258 PolarHBondContact O-N 3.46Å; A258-Q262 WeakPolarHBondContact O-CB 3.47Å; A258-Q262 PolarHBondContact O-N 3.38Å
259	A	77.5	Confident	82.2	Confident	4 Å²	4	61.3 Å²	61.3	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-67.6	-39.8	174	0	0	0	0	0	112.6	E255 S256 H257 Q262 I263 Y329 L333	E255-A259 PolarHBondContact O-N 2.88Å; S256-A259 PolarHBondContact O-N 2.99Å; H257-A259 VanDerWaalsContact C-N 3.29Å; H257-A259 PolarHBondContact O-N 2.91Å; A259-Q262 PolarHBondContact O-N 2.93Å; A259-I263 VanDerWaalsContact O-CD1 3.28Å; A259-I263 WeakPolarHBondContact O-CD1 3.36Å; A259-I263 VanDerWaalsContact O-CG1 3.25Å; A259-I263 WeakPolarHBondContact O-CG1 3.49Å; A259-I263 PolarHBondContact O-N 2.98Å; A259-Y329 HydrophobicContact CB-CE2 4.02Å; A259-L333 HydrophobicContact CB-CD1 4.02Å
260	Q	78.3	Confident	82.4	Confident	40 Å²	40	58.3 Å²	58.3	19%	0.187	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-51.2	174.2	-72.7	162.9	-5.1	0	0	111.5	S256 H257 Q262 I263 L264 S377	S256-Q260 WeakPolarHBondContact O-CG 3.22Å; S256-Q260 PolarHBondContact O-N 3.25Å; H257-Q260 WeakPolarHBondContact O-CB 3.37Å; H257-Q260 PolarHBondContact O-N 2.85Å; Q260-Q262 VanDerWaalsContact C-N 3.29Å; Q260-Q262 PolarHBondContact O-N 3.39Å; Q260-I263 PolarHBondContact O-N 2.83Å; Q260-L264 PolarHBondContact O-N 3.46Å; Q260-S377 PolarHBondContact NE2-OG 3.32Å
261	L	82.9	Confident	82.4	Confident	78 Å²	78	52.1 Å²	52.1	41%	0.408	28%	0.276	S	S	.	.	H	α-helix	trans	-59.8	-38.5	177.1	-72.6	174.4	0	0	0	112.3	H257 M265	H257-L261 PolarHBondContact O-N 2.9Å; L261-M265 WeakPolarHBondContact O-CB 2.94Å; L261-M265 PolarHBondContact O-N 2.92Å
262	Q	85	Confident	82.7	Confident	45 Å²	45	56.6 Å²	56.6	21%	0.21	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-44.1	175.8	-174.6	178.2	-21.9	0	0	111.7	A258 A259 Q260 M265 E266 Y329 L333	A258-Q262 WeakPolarHBondContact O-CB 3.47Å; A258-Q262 PolarHBondContact O-N 3.38Å; A259-Q262 PolarHBondContact O-N 2.93Å; Q260-Q262 VanDerWaalsContact C-N 3.29Å; Q260-Q262 PolarHBondContact O-N 3.39Å; Q262-M265 PolarHBondContact O-N 2.69Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.29Å; Q262-E266 PolarHBondContact NE2-OE1 3.02Å; Q262-E266 WeakPolarHBondContact O-CG 3.38Å; Q262-E266 PolarHBondContact O-N 3.25Å; Q262-Y329 PolarHBondContact OE1-OH 3.13Å; Q262-Y329 VanDerWaalsContact OE1-OH 3.11Å; Q262-L333 HydrophobicContact CB-CD1 4.39Å; Q262-L333 HydrophobicContact CG-CD1 4.32Å
263	I	84.2	Confident	83.2	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.015	30%	0.297	C	S	.	.	H	α-helix	trans	-66.2	-42.2	177.9	-68.1	157.7	0	0	0	111.2	A259 Q260 M265 E266 F267 R336 L340	A259-I263 VanDerWaalsContact O-CD1 3.28Å; A259-I263 WeakPolarHBondContact O-CD1 3.36Å; A259-I263 VanDerWaalsContact O-CG1 3.25Å; A259-I263 WeakPolarHBondContact O-CG1 3.49Å; A259-I263 PolarHBondContact O-N 2.98Å; Q260-I263 PolarHBondContact O-N 2.83Å; I263-M265 PolarHBondContact O-N 2.89Å; I263-E266 PolarHBondContact O-N 2.95Å; I263-F267 WeakPolarHBondContact O-CB 3.44Å; I263-F267 PolarHBondContact O-N 3.41Å; I263-R336 HydrophobicContact CD1-CB 3.51Å; I263-R336 HydrophobicContact CD1-CG 4.05Å; I263-R336 HydrophobicContact CG1-CB 4.46Å; I263-L340 HydrophobicContact CG2-CD1 3.9Å; I263-L340 HydrophobicContact CG2-CD2 4.38Å
264	L	84.9	Confident	83.4	Confident	14 Å²	14	57.7 Å²	57.7	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-45.7	174.1	175.8	62.9	0	0	0	111.3	Q260 E266 F267 L268 F372 Q373 L376	Q260-L264 PolarHBondContact O-N 3.46Å; L264-E266 VanDerWaalsContact C-N 3.35Å; L264-E266 PolarHBondContact O-N 3.19Å; L264-F267 PolarHBondContact O-N 3.35Å; L264-L268 HydrophobicContact CD1-CD1 3.89Å; L264-L268 HydrophobicContact CD1-CG 4.06Å; L264-L268 HydrophobicContact CG-CD1 3.94Å; L264-L268 HydrophobicContact CG-CG 4.48Å; L264-L268 WeakPolarHBondContact O-CB 3.46Å; L264-L268 VanDerWaalsContact O-CG 3.27Å; L264-L268 WeakPolarHBondContact O-CG 3.27Å; L264-L268 PolarHBondContact O-N 3.23Å; L264-F372 HydrophobicContact CD1-CD1 3.71Å; L264-F372 HydrophobicContact CD1-CE1 3.92Å; L264-Q373 HydrophobicContact CD2-CB 4.21Å; L264-Q373 HydrophobicContact CD2-CG 4.44Å; L264-L376 HydrophobicContact CB-CD1 4.18Å; L264-L376 HydrophobicContact CD1-CD1 3.9Å
265	M	85.6	Confident	83.7	Confident	93 Å²	93	58.2 Å²	58.2	46%	0.458	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-37.6	176.2	176.9	176.1	48.9	0	0	112.4	L261 Q262 I263 K269	L261-M265 WeakPolarHBondContact O-CB 2.94Å; L261-M265 PolarHBondContact O-N 2.92Å; Q262-M265 PolarHBondContact O-N 2.69Å; I263-M265 PolarHBondContact O-N 2.89Å; M265-K269 HydrophobicContact CG-CD 4.12Å; M265-K269 WeakPolarHBondContact O-CB 3.44Å; M265-K269 WeakPolarHBondContact O-CD 3.4Å; M265-K269 VanDerWaalsContact O-CG 3.22Å; M265-K269 WeakPolarHBondContact O-CG 3.44Å; M265-K269 PolarHBondContact O-N 2.72Å; M265-K269 VanDerWaalsContact O-N 3.09Å; M265-K269 PolarHBondContact SD-NZ 2.65Å; M265-K269 VanDerWaalsContact SD-NZ 3.36Å
266	E	85.5	Confident	84	Confident	43 Å²	43	64.4 Å²	64.4	20%	0.201	30%	0.299	C	S	.	.	H	α-helix	trans	-67.1	-45	176.1	-74	172.5	-162.4	0	0	111.1	Q262 I263 L264 K269 V270 R337	Q262-E266 WeakPolarHBondContact CG-OE1 3.29Å; Q262-E266 PolarHBondContact NE2-OE1 3.02Å; Q262-E266 WeakPolarHBondContact O-CG 3.38Å; Q262-E266 PolarHBondContact O-N 3.25Å; I263-E266 PolarHBondContact O-N 2.95Å; L264-E266 VanDerWaalsContact C-N 3.35Å; L264-E266 PolarHBondContact O-N 3.19Å; E266-K269 PolarHBondContact O-N 2.96Å; E266-V270 PolarHBondContact O-N 3.35Å; E266-R337 IonicContact OE1-CZ 2.74Å; E266-R337 IonicContact OE1-NE 2.68Å; E266-R337 IonicContact OE1-NH2 2.96Å; E266-R337 PolarHBondContact OE1-NH2 3.29Å; E266-R337 IonicContact OE2-CZ 3.28Å; E266-R337 IonicContact OE2-NE 2.66Å; E266-R337 PolarHBondContact OE2-NE 3.3Å; E266-R337 IonicContact OE2-NH2 3.5Å; E266-R337 PolarHBondContact OE2-NH2 2.98Å
267	F	87.3	Confident	84.3	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.9	-52.7	172.2	173.2	-94.6	0	0	0	112.2	I263 L264 K269 V270 A271 L340 F344 L347 E348 Y351 F372	I263-F267 WeakPolarHBondContact O-CB 3.44Å; I263-F267 PolarHBondContact O-N 3.41Å; L264-F267 PolarHBondContact O-N 3.35Å; F267-K269 VanDerWaalsContact C-N 3.25Å; F267-K269 PolarHBondContact O-N 3.4Å; F267-V270 PolarHBondContact O-N 2.75Å; F267-A271 HydrophobicContact CE1-CB 4.27Å; F267-A271 HydrophobicContact CZ-CB 4.34Å; F267-A271 PolarHBondContact O-N 2.62Å; F267-L340 HydrophobicContact CB-CD1 4.19Å; F267-L340 HydrophobicContact CB-CD2 4.12Å; F267-L340 HydrophobicContact CD2-CD1 4.2Å; F267-F344 AromaticContact CD2-CD2 3.95Å; F267-F344 HydrophobicContact CD2-CD2 3.95Å; F267-F344 AromaticContact CD2-CE2 3.44Å; F267-F344 HydrophobicContact CD2-CE2 3.44Å; F267-F344 VanDerWaalsContact CD2-CE2 3.44Å; F267-F344 HydrophobicContact CD2-CZ 4.04Å; F267-F344 HydrophobicContact CE2-CD2 4.17Å; F267-F344 AromaticContact CE2-CE2 3.73Å; F267-F344 HydrophobicContact CE2-CE2 3.73Å; F267-F344 AromaticContact CE2-CZ 3.94Å; F267-F344 HydrophobicContact CE2-CZ 3.94Å; F267-F344 HydrophobicContact CG-CE2 4.37Å; F267-L347 HydrophobicContact CE2-CB 3.88Å; F267-L347 HydrophobicContact CZ-CB 4.49Å; F267-E348 HydrophobicContact CZ-CB 4.5Å; F267-Y351 HydrophobicContact CE1-CD1 4.25Å; F267-Y351 HydrophobicContact CE1-CD2 4.3Å; F267-Y351 AromaticContact CE1-CG 3.93Å; F267-Y351 HydrophobicContact CE1-CG 3.93Å; F267-Y351 HydrophobicContact CZ-CG 4.3Å; F267-F372 AromaticContact CD1-CE1 3.45Å; F267-F372 HydrophobicContact CD1-CE1 3.45Å; F267-F372 VanDerWaalsContact CD1-CE1 3.45Å; F267-F372 AromaticContact CD1-CZ 3.81Å; F267-F372 HydrophobicContact CD1-CZ 3.81Å; F267-F372 HydrophobicContact CD2-CZ 4.46Å; F267-F372 HydrophobicContact CE1-CD1 4.43Å; F267-F372 AromaticContact CE1-CE1 3.36Å; F267-F372 HydrophobicContact CE1-CE1 3.36Å; F267-F372 HydrophobicContact CE1-CE2 4.48Å; F267-F372 AromaticContact CE1-CZ 3.4Å; F267-F372 HydrophobicContact CE1-CZ 3.4Å; F267-F372 HydrophobicContact CE2-CZ 4.12Å; F267-F372 HydrophobicContact CG-CE1 4.2Å; F267-F372 HydrophobicContact CG-CZ 4.33Å; F267-F372 HydrophobicContact CZ-CE1 4.04Å; F267-F372 HydrophobicContact CZ-CE2 4.47Å; F267-F372 AromaticContact CZ-CZ 3.57Å; F267-F372 HydrophobicContact CZ-CZ 3.57Å
268	L	86.6	Confident	84.4	Confident	49 Å²	49	67 Å²	67	26%	0.257	31%	0.307	S	S	.	.	H	α-helix	trans	-63.2	-30.4	-177.8	-71	172.6	0	0	0	112.6	L264 R272 Y351 L369	L264-L268 HydrophobicContact CD1-CD1 3.89Å; L264-L268 HydrophobicContact CD1-CG 4.06Å; L264-L268 HydrophobicContact CG-CD1 3.94Å; L264-L268 HydrophobicContact CG-CG 4.48Å; L264-L268 WeakPolarHBondContact O-CB 3.46Å; L264-L268 VanDerWaalsContact O-CG 3.27Å; L264-L268 WeakPolarHBondContact O-CG 3.27Å; L264-L268 PolarHBondContact O-N 3.23Å; L268-R272 WeakPolarHBondContact O-CB 3.36Å; L268-R272 PolarHBondContact O-N 2.83Å; L268-R272 VanDerWaalsContact O-N 3.08Å; L268-Y351 HydrophobicContact CD2-CE1 4.42Å; L268-Y351 HydrophobicContact CD2-CE2 3.97Å; L268-L369 HydrophobicContact CD1-CD2 4.11Å; L268-L369 HydrophobicContact CD2-CD2 4.45Å
269	K	87.5	Confident	84.1	Confident	109 Å²	109	70.9 Å²	70.9	47%	0.474	32%	0.32	S	S	.	.	H	α-helix	trans	-66.1	-41.9	172.9	-78.7	167.8	-178.5	172.4	0	112	M265 E266 F267 R273	M265-K269 HydrophobicContact CG-CD 4.12Å; M265-K269 WeakPolarHBondContact O-CB 3.44Å; M265-K269 WeakPolarHBondContact O-CD 3.4Å; M265-K269 VanDerWaalsContact O-CG 3.22Å; M265-K269 WeakPolarHBondContact O-CG 3.44Å; M265-K269 PolarHBondContact O-N 2.72Å; M265-K269 VanDerWaalsContact O-N 3.09Å; M265-K269 PolarHBondContact SD-NZ 2.65Å; M265-K269 VanDerWaalsContact SD-NZ 3.36Å; E266-K269 PolarHBondContact O-N 2.96Å; F267-K269 VanDerWaalsContact C-N 3.25Å; F267-K269 PolarHBondContact O-N 3.4Å; K269-R273 PolarHBondContact O-N 3.43Å
270	V	86.9	Confident	84.1	Confident	66 Å²	66	74.2 Å²	74.2	40%	0.4	34%	0.342	S	S	.	.	H	α-helix	trans	-72.4	-49.2	177.7	-179.3	0	0	0	0	110.9	E266 F267 R272 R273 N274 F344	E266-V270 PolarHBondContact O-N 3.35Å; F267-V270 PolarHBondContact O-N 2.75Å; V270-R272 VanDerWaalsContact C-N 3.28Å; V270-R272 PolarHBondContact O-N 3.21Å; V270-R273 CarbonylContact O-C 3.5Å; V270-R273 WeakPolarHBondContact O-CA 3.33Å; V270-R273 VanDerWaalsContact O-CB 3.28Å; V270-R273 WeakPolarHBondContact O-CB 3.39Å; V270-R273 PolarHBondContact O-N 3.4Å; V270-N274 PolarHBondContact O-N 3.12Å; V270-N274 PolarHBondContact O-OD1 2.83Å; V270-N274 VanDerWaalsContact O-OD1 3.14Å; V270-F344 HydrophobicContact CB-CE2 3.79Å; V270-F344 HydrophobicContact CB-CZ 3.76Å; V270-F344 HydrophobicContact CG1-CE1 4.09Å; V270-F344 HydrophobicContact CG1-CE2 3.7Å; V270-F344 HydrophobicContact CG1-CZ 3.45Å; V270-F344 VanDerWaalsContact CG1-CZ 3.45Å
271	A	85	Confident	83.4	Confident	3 Å²	3	74.7 Å²	74.7	3%	0.025	36%	0.358	C	S	.	.	H	α-helix	trans	-59.1	-38.9	179.3	0	0	0	0	0	112.2	F267 R273 K275 F344	F267-A271 HydrophobicContact CE1-CB 4.27Å; F267-A271 HydrophobicContact CZ-CB 4.34Å; F267-A271 PolarHBondContact O-N 2.62Å; A271-R273 VanDerWaalsContact C-N 3.31Å; A271-R273 PolarHBondContact O-N 2.85Å; A271-K275 WeakPolarHBondContact O-CG 3.39Å; A271-K275 PolarHBondContact O-N 3.42Å; A271-F344 HydrophobicContact CB-CZ 4.19Å
272	R	85.9	Confident	82.2	Confident	178 Å²	178	78.1 Å²	78.1	67%	0.672	38%	0.376	S	S	*	.	H	α-helix	trans	-68.1	-28.3	173.1	-170.8	-175.9	69.6	172.6	1.9	113	L268 V270 R276	L268-R272 WeakPolarHBondContact O-CB 3.36Å; L268-R272 PolarHBondContact O-N 2.83Å; L268-R272 VanDerWaalsContact O-N 3.08Å; V270-R272 VanDerWaalsContact C-N 3.28Å; V270-R272 PolarHBondContact O-N 3.21Å; R272-R276 WeakPolarHBondContact O-CB 3.41Å; R272-R276 PolarHBondContact O-N 2.91Å
273	R	86.8	Confident	80.7	Confident	159 Å²	159	85.3 Å²	85.3	60%	0.6	40%	0.403	S	S	*	.	H	α-helix	trans	-70.6	-54.2	172.9	179.7	179.4	175	146.2	12	109.9	K269 V270 A271 K275 R276 E277	K269-R273 PolarHBondContact O-N 3.43Å; V270-R273 CarbonylContact O-C 3.5Å; V270-R273 WeakPolarHBondContact O-CA 3.33Å; V270-R273 VanDerWaalsContact O-CB 3.28Å; V270-R273 WeakPolarHBondContact O-CB 3.39Å; V270-R273 PolarHBondContact O-N 3.4Å; A271-R273 VanDerWaalsContact C-N 3.31Å; A271-R273 PolarHBondContact O-N 2.85Å; R273-K275 VanDerWaalsContact C-N 3.31Å; R273-K275 PolarHBondContact O-N 3.23Å; R273-R276 WeakPolarHBondContact O-CA 3.33Å; R273-R276 WeakPolarHBondContact O-CB 3.17Å; R273-R276 PolarHBondContact O-N 2.79Å; R273-E277 HydrophobicContact CG-CG 4.44Å; R273-E277 IonicContact CZ-OE1 3.09Å; R273-E277 IonicContact NE-OE1 3.58Å; R273-E277 PolarHBondContact NE-OE1 2.94Å; R273-E277 IonicContact NE-OE2 2.76Å; R273-E277 IonicContact NH2-OE1 2.72Å; R273-E277 PolarHBondContact NH2-OE1 3.24Å; R273-E277 PolarHBondContact O-N 3.09Å
274	N	85.7	Confident	78.8	Confident	45 Å²	45	89.1 Å²	89.1	24%	0.241	43%	0.43	C	S	.	.	H	α-helix	trans	-51.5	-49.7	177.7	-63.2	12.5	0	0	0	111.2	V270 R276 E277 E278 F344	V270-N274 PolarHBondContact O-N 3.12Å; V270-N274 PolarHBondContact O-OD1 2.83Å; V270-N274 VanDerWaalsContact O-OD1 3.14Å; N274-R276 VanDerWaalsContact C-N 3.32Å; N274-R276 PolarHBondContact O-N 3.43Å; N274-E277 PolarHBondContact O-N 2.88Å; N274-E277 VanDerWaalsContact O-N 3.12Å; N274-E278 PolarHBondContact O-N 2.85Å; N274-F344 WeakPolarHBondContact ND2-CE1 3.41Å
275	K	84.1	Confident	76.9	Confident	71 Å²	71	94.2 Å²	94.2	31%	0.309	46%	0.463	S	S	.	.	H	α-helix	trans	-67.8	-24.7	178.4	-65.6	-62.5	167	-148.9	0	114.9	A271 R273 E278 M279 F352	A271-K275 WeakPolarHBondContact O-CG 3.39Å; A271-K275 PolarHBondContact O-N 3.42Å; R273-K275 VanDerWaalsContact C-N 3.31Å; R273-K275 PolarHBondContact O-N 3.23Å; K275-E278 VanDerWaalsContact CD-OE2 3.29Å; K275-E278 WeakPolarHBondContact CD-OE2 3.18Å; K275-E278 IonicContact NZ-OE1 3.32Å; K275-E278 PolarHBondContact NZ-OE1 3.19Å; K275-E278 IonicContact NZ-OE2 3.86Å; K275-E278 PolarHBondContact NZ-OE2 3.18Å; K275-M279 VanDerWaalsContact O-CB 3.24Å; K275-M279 WeakPolarHBondContact O-CB 3.49Å; K275-M279 PolarHBondContact O-N 2.79Å; K275-F352 HydrophobicContact CD-CE2 4.29Å; K275-F352 HydrophobicContact CD-CZ 4.1Å; K275-F352 HydrophobicContact CG-CE2 4.22Å; K275-F352 HydrophobicContact CG-CZ 3.73Å
276	R	85.1	Confident	74.7	Confident	184 Å²	184	96.3 Å²	96.3	69%	0.694	48%	0.481	S	S	*	.	H	α-helix	trans	-74	-40.4	169.6	179.3	179.8	-72.3	-166.2	-6.2	110.9	R272 R273 N274 M279 S280	R272-R276 WeakPolarHBondContact O-CB 3.41Å; R272-R276 PolarHBondContact O-N 2.91Å; R273-R276 WeakPolarHBondContact O-CA 3.33Å; R273-R276 WeakPolarHBondContact O-CB 3.17Å; R273-R276 PolarHBondContact O-N 2.79Å; N274-R276 VanDerWaalsContact C-N 3.32Å; N274-R276 PolarHBondContact O-N 3.43Å; R276-M279 PolarHBondContact O-N 2.96Å; R276-S280 PolarHBondContact O-N 2.99Å; R276-S280 PolarHBondContact O-OG 2.72Å
277	E	84.3	Confident	72.5	Confident	86 Å²	86	99.6 Å²	99.6	40%	0.402	51%	0.509	S	S	.	.	H	α-helix	trans	-67.5	-46.3	179.9	-71.9	170.9	163.9	0	0	110.8	R273 N274 M279 S280 G281	R273-E277 HydrophobicContact CG-CG 4.44Å; R273-E277 IonicContact CZ-OE1 3.09Å; R273-E277 IonicContact NE-OE1 3.58Å; R273-E277 PolarHBondContact NE-OE1 2.94Å; R273-E277 IonicContact NE-OE2 2.76Å; R273-E277 IonicContact NH2-OE1 2.72Å; R273-E277 PolarHBondContact NH2-OE1 3.24Å; R273-E277 PolarHBondContact O-N 3.09Å; N274-E277 PolarHBondContact O-N 2.88Å; N274-E277 VanDerWaalsContact O-N 3.12Å; E277-M279 PolarHBondContact O-N 3.45Å; E277-S280 WeakPolarHBondContact CA-OG 3.45Å; E277-S280 PolarHBondContact O-N 2.84Å; E277-S280 PolarHBondContact O-OG 2.88Å; E277-G281 PolarHBondContact O-N 3.24Å
278	E	81.4	Confident	70.3	Confident	98 Å²	98	108.3 Å²	108.3	46%	0.458	55%	0.55	S	S	.	.	H	α-helix	trans	-52	-51.4	168.3	-77.1	175.9	-152	0	0	112.1	N274 K275 S280 G281 L282	N274-E278 PolarHBondContact O-N 2.85Å; K275-E278 VanDerWaalsContact CD-OE2 3.29Å; K275-E278 WeakPolarHBondContact CD-OE2 3.18Å; K275-E278 IonicContact NZ-OE1 3.32Å; K275-E278 PolarHBondContact NZ-OE1 3.19Å; K275-E278 IonicContact NZ-OE2 3.86Å; K275-E278 PolarHBondContact NZ-OE2 3.18Å; E278-S280 VanDerWaalsContact C-N 3.33Å; E278-S280 PolarHBondContact O-N 2.67Å; E278-G281 PolarHBondContact O-N 2.86Å; E278-L282 PolarHBondContact O-N 3.47Å; E278-L282 VanDerWaalsContact O-N 3.1Å
279	M	75.6	Confident	67.7	Low	121 Å²	121	113.6 Å²	113.6	60%	0.596	58%	0.578	S	S	*	*	H	α-helix	trans	-62.6	-40	-179.3	-172.7	179	-72.2	0	0	111.5	K275 R276 E277 L282 Y283	K275-M279 VanDerWaalsContact O-CB 3.24Å; K275-M279 WeakPolarHBondContact O-CB 3.49Å; K275-M279 PolarHBondContact O-N 2.79Å; R276-M279 PolarHBondContact O-N 2.96Å; E277-M279 PolarHBondContact O-N 3.45Å; M279-L282 PolarHBondContact O-N 2.9Å; M279-Y283 HydrophobicContact CG-CD2 4.45Å; M279-Y283 WeakPolarHBondContact O-CD2 3.26Å; M279-Y283 PolarHBondContact O-N 2.89Å
280	S	77.1	Confident	65.1	Low	73 Å²	73	113.4 Å²	113.4	51%	0.51	59%	0.59	S	S	.	*	H	α-helix	trans	-68.1	-34	175	59.1	0	0	0	0	113.3	R276 E277 E278 L282 Y283 S284	R276-S280 PolarHBondContact O-N 2.99Å; R276-S280 PolarHBondContact O-OG 2.72Å; E277-S280 WeakPolarHBondContact CA-OG 3.45Å; E277-S280 PolarHBondContact O-N 2.84Å; E277-S280 PolarHBondContact O-OG 2.88Å; E278-S280 VanDerWaalsContact C-N 3.33Å; E278-S280 PolarHBondContact O-N 2.67Å; S280-L282 VanDerWaalsContact C-N 3.28Å; S280-L282 PolarHBondContact O-N 3.11Å; S280-Y283 PolarHBondContact O-N 2.66Å; S280-Y283 VanDerWaalsContact O-N 3.1Å; S280-S284 PolarHBondContact O-N 2.64Å
281	G	64.4	Low	62.5	Low	50 Å²	50	117 Å²	117	52%	0.515	61%	0.613	S	S	.	*	H	α-helix	trans	-67.1	-27.4	174.8	0	0	0	0	0	113.4	E277 E278 Y283 S284	E277-G281 PolarHBondContact O-N 3.24Å; E278-G281 PolarHBondContact O-N 2.86Å; G281-Y283 VanDerWaalsContact C-N 3.29Å; G281-S284 PolarHBondContact O-OG 2.87Å
282	L	58.1	Low	60	Low	151 Å²	151	123 Å²	123	79%	0.791	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-9.6	172.2	-69.6	167.3	0	0	0	113.6	E278 M279 S280	E278-L282 PolarHBondContact O-N 3.47Å; E278-L282 VanDerWaalsContact O-N 3.1Å; M279-L282 PolarHBondContact O-N 2.9Å; S280-L282 VanDerWaalsContact C-N 3.28Å; S280-L282 PolarHBondContact O-N 3.11Å
283	Y	53.6	Low	58.2	Low	196 Å²	196	120.1 Å²	120.1	77%	0.769	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	11.9	-179	-88	-75.2	0	0	0	113.9	M279 S280 G281	M279-Y283 HydrophobicContact CG-CD2 4.45Å; M279-Y283 WeakPolarHBondContact O-CD2 3.26Å; M279-Y283 PolarHBondContact O-N 2.89Å; S280-Y283 PolarHBondContact O-N 2.66Å; S280-Y283 VanDerWaalsContact O-N 3.1Å; G281-Y283 VanDerWaalsContact C-N 3.29Å
284	S	42.5	Very low	55.3	Low	83 Å²	83	122.3 Å²	122.3	58%	0.58	67%	0.67	S	S	*	*	S	Bend	trans	-69.6	124.6	167	58.2	0	0	0	0	110.1	S280 G281	S280-S284 PolarHBondContact O-N 2.64Å; G281-S284 PolarHBondContact O-OG 2.87Å
285	P	44.9	Very low	52.9	Low	120 Å²	120	129.9 Å²	129.9	78%	0.779	70%	0.702	S	S	*	*			trans	-68	135.1	179.6	28.2	-34.1	0	0	0	110.8	S287	P285-S287 PolarHBondContact O-N 3.15Å
286	V	40.4	Very low	50.1	Low	137 Å²	137	135.9 Å²	135.9	83%	0.83	73%	0.731	S	S	*	*			trans	-71.9	107.6	171.3	179.8	0	0	0	0	108.2
287	S	38.8	Very low	47.7	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	73%	0.734	S	S	*	*			trans	-89.3	104.5	166.4	56.4	0	0	0	0	109.3	P285 D289	P285-S287 PolarHBondContact O-N 3.15Å; S287-D289 PolarHBondContact O-N 3.01Å
288	E	40.6	Very low	45.1	Very low	183 Å²	183	133.3 Å²	133.3	86%	0.855	75%	0.753	S	S	*	*			trans	-69.8	120.2	165	-62.6	-179.8	127.6	0	0	109.5
289	D	33.1	Very low	42.4	Very low	160 Å²	160	133.8 Å²	133.8	86%	0.856	77%	0.767	S	S	*	*				-157.4	165.6	127.8	-145.3	-21.4	0	0	0	110.6	S287	S287-D289 PolarHBondContact O-N 3.01Å
290	S	33.4	Very low	40.2	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	78%	0.78	S	S	*	*			trans	-111.8	145	-167.7	-60.3	0	0	0	0	113.6
291	T	32.1	Very low	37.7	Very low	142 Å²	142	136.1 Å²	136.1	87%	0.871	79%	0.792	S	S	*	*			trans	-178.2	155.5	131.9	-76	0	0	0	0	109.7
292	V	32.6	Very low	36.3	Very low	128 Å²	128	143 Å²	143	78%	0.776	81%	0.811	S	S	*	*			trans	-114	176.8	-167.9	-141.7	0	0	0	0	111.1
293	P	47.3	Very low	34.8	Very low	119 Å²	119	141.1 Å²	141.1	77%	0.773	81%	0.81	S	S	*	*				-105.7	172.1	-96.9	39.8	-27.7	0	0	0	114.3
294	Q	26.6	Very low	33.7	Very low	204 Å²	204	137.4 Å²	137.4	95%	0.953	81%	0.813	S	S	*	*			trans	-138.1	154.7	153.5	-159	156.7	-3.3	0	0	111.2
295	F	35	Very low	33	Very low	205 Å²	205	140.7 Å²	140.7	90%	0.899	82%	0.822	S	S	*	*			trans	-122.4	109.7	-155.7	-168.9	-77	0	0	0	110.9
296	E	24.7	Very low	32.5	Very low	196 Å²	196	142.4 Å²	142.4	92%	0.916	82%	0.823	S	S	*	*			trans	-154.8	149.9	169.1	-128.3	168.6	-158.3	0	0	110.2
297	A	35.7	Very low	31.7	Very low	92 Å²	92	142.4 Å²	142.4	76%	0.76	82%	0.819	S	S	*	*			trans	-130.7	141.3	-173	0	0	0	0	0	111.6
298	P	28.1	Very low	31.4	Very low	124 Å²	124	141.8 Å²	141.8	81%	0.805	81%	0.814	S	S	*	*			trans	-134.9	138.6	147.4	32.7	-17.5	0	0	0	115
299	S	25.5	Very low	30.8	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	81%	0.808	S	S	*	*			trans	4	145.7	149.9	-50.2	0	0	0	0	121.7
300	P	29.4	Very low	30.6	Very low	132 Å²	132	140.2 Å²	140.2	86%	0.857	81%	0.81	S	S	*	*			trans	-72.8	130.1	169.8	31.9	-34	0	0	0	111.8
301	S	25.4	Very low	30.3	Very low	110 Å²	110	146 Å²	146	77%	0.769	82%	0.818	S	S	*	*			trans	-109.3	128.7	172.7	50.8	0	0	0	0	111.4
302	H	34.3	Very low	30	Very low	196 Å²	196	144.7 Å²	144.7	91%	0.907	81%	0.814	S	S	*	*			trans	-72.7	132.7	166.2	-77.4	-118.1	0	0	0	109.4
303	S	25.9	Very low	29.9	Very low	110 Å²	110	147.1 Å²	147.1	77%	0.769	82%	0.817	S	S	*	*			trans	-123.9	73.2	174.3	49.7	0	0	0	0	111.8	I305	S303-I305 PolarHBondContact O-N 2.73Å
304	S	31.1	Very low	29	Very low	119 Å²	119	147.1 Å²	147.1	83%	0.832	82%	0.817	S	S	*	*			trans	-77	98.2	164.6	54.8	0	0	0	0	110
305	I	28	Very low	29.2	Very low	152 Å²	152	143.7 Å²	143.7	78%	0.779	81%	0.812	S	S	*	*			trans	-123.5	120.3	166.8	-64.2	-177.1	0	0	0	108.9	S303	S303-I305 PolarHBondContact O-N 2.73Å
306	I	34.2	Very low	28.7	Very low	155 Å²	155	137.3 Å²	137.3	80%	0.795	80%	0.804	S	S	*	*			trans	-83.1	133.8	161.3	-61.4	162.8	0	0	0	106
307	D	23.6	Very low	28.7	Very low	138 Å²	138	138.2 Å²	138.2	74%	0.738	81%	0.805	S	S	*	*			trans	-135.5	144.5	151.4	-162.3	6.7	0	0	0	110
308	S	33.6	Very low	28.4	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	81%	0.807	S	S	*	*			trans	-116.9	88.2	-170.7	-59.1	0	0	0	0	109.6
309	T	27	Very low	28.4	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.724	81%	0.81	S	S	*	*			trans	-96.4	110.3	175.4	35.6	0	0	0	0	111
310	E	29.8	Very low	28.4	Very low	191 Å²	191	137.4 Å²	137.4	89%	0.893	81%	0.81	S	S	*	*			trans	-61.9	137	168.4	-61.7	178.8	107.4	0	0	110
311	Y	26.5	Very low	28.4	Very low	227 Å²	227	136.2 Å²	136.2	89%	0.89	81%	0.805	S	S	*	*			trans	-135.9	118.3	163.1	-116.6	-87.2	0	0	0	111.8
312	S	25.7	Very low	28.6	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-50.3	140.2	-170.6	-47.1	0	0	0	0	115.4
313	Q	29.4	Very low	28.5	Very low	180 Å²	180	136.1 Å²	136.1	84%	0.841	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72.9	143.2	161.7	-68.7	-174.6	-15.4	0	0	110.9
314	P	29.2	Very low	29	Very low	118 Å²	118	140.6 Å²	140.6	77%	0.766	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-72.2	143.7	161.9	31.8	-33.2	0	0	0	110.2
315	P	30.5	Very low	29.4	Very low	133 Å²	133	140.3 Å²	140.3	86%	0.864	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-84.1	148.5	-173.3	32.9	-35.6	0	0	0	113.6
316	G	26.1	Very low	30.1	Very low	71 Å²	71	137.2 Å²	137.2	73%	0.732	77%	0.773	S	S	*	*			trans	105.6	77	146.9	0	0	0	0	0	118.6
317	F	23.7	Very low	30.3	Very low	214 Å²	214	134.3 Å²	134.3	94%	0.939	76%	0.764	S	S	*	*				-152.9	140	113.3	-134.1	-97.9	0	0	0	110.8
318	S	28.6	Very low	30.7	Very low	115 Å²	115	136.4 Å²	136.4	80%	0.804	76%	0.762	S	S	*	*			trans	-96.2	142	-172.8	45.5	0	0	0	0	112.3
319	G	29.2	Very low	31.2	Very low	83 Å²	83	132.4 Å²	132.4	86%	0.856	73%	0.731	S	S	*	*			trans	136.7	57.3	170.5	0	0	0	0	0	116.4
320	S	25.7	Very low	32.3	Very low	110 Å²	110	131 Å²	131	77%	0.769	72%	0.719	S	S	*	*			trans	-147.5	112.2	166.2	-177	0	0	0	0	111	Q322	S320-Q322 PolarHBondContact O-N 2.98Å
321	S	28.5	Very low	33.4	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	70%	0.7	S	S	*	*			trans	-71.9	107	176	31.6	0	0	0	0	110.2	T323	S321-T323 PolarHBondContact O-N 2.84Å
322	Q	30.6	Very low	35.4	Very low	187 Å²	187	116.5 Å²	116.5	87%	0.874	67%	0.67	S	S	*	*			trans	-66.9	93.5	170.7	-74.5	-167	0.4	0	0	110.5	S320 K324	S320-Q322 PolarHBondContact O-N 2.98Å; Q322-K324 PolarHBondContact O-N 3.11Å
323	T	32.2	Very low	37.6	Very low	116 Å²	116	111.3 Å²	111.3	71%	0.712	63%	0.634	S	S	*	*			trans	-61.6	115.8	164.4	45.1	0	0	0	0	108.8	S321 K325	S321-T323 PolarHBondContact O-N 2.84Å; T323-K325 PolarHBondContact O-N 3.34Å
324	K	35.9	Very low	39.8	Very low	204 Å²	204	105.2 Å²	105.2	89%	0.887	61%	0.614	S	S	*	*			trans	-63.5	102.2	178	-68.7	-179.2	179.7	177.1	0	108.8	Q322	Q322-K324 PolarHBondContact O-N 3.11Å
325	K	38.7	Very low	41.9	Very low	114 Å²	114	102.3 Å²	102.3	50%	0.496	60%	0.597	S	S	.	*			trans	-62.4	137.4	-176.9	-72	-166.9	173.7	-170	0	111.4	T323 Y329 N330	T323-K325 PolarHBondContact O-N 3.34Å; K325-Y329 HydrophobicContact CB-CD1 4.49Å; K325-Y329 HydrophobicContact CD-CD1 4.14Å; K325-Y329 HydrophobicContact CD-CE1 3.89Å; K325-Y329 PolarHBondContact NZ-OH 3.23Å; K325-N330 PolarHBondContact O-ND2 3.03Å
326	Q	43.5	Very low	44	Very low	87 Å²	87	97.9 Å²	97.9	41%	0.407	56%	0.563	S	S	.	*			trans	-56.5	145	-170.4	-72.5	-69	-8.1	0	0	113.5	W328 Y329 N330	Q326-W328 PolarHBondContact O-N 3.47Å; Q326-Y329 WeakPolarHBondContact O-CB 3.31Å; Q326-Y329 PolarHBondContact O-N 2.73Å; Q326-Y329 VanDerWaalsContact O-N 3.13Å; Q326-N330 PolarHBondContact O-N 2.88Å; Q326-N330 PolarHBondContact O-ND2 3.17Å
327	P	38.4	Very low	46.6	Very low	93 Å²	93	99.7 Å²	99.7	60%	0.604	55%	0.547	S	S	*	.	H	α-helix	trans	-55.8	-37.7	178.2	-26.3	35.3	0	0	0	113.6	Y329 N330 S331	P327-Y329 PolarHBondContact O-N 2.91Å; P327-N330 PolarHBondContact O-N 2.72Å; P327-S331 PolarHBondContact O-N 2.94Å
328	W	32.1	Very low	49.4	Very low	183 Å²	183	97.6 Å²	97.6	69%	0.693	54%	0.538	S	S	*	.	H	α-helix	trans	-60.6	-42.7	177.1	177	-106.9	0	0	0	113.3	Q326 N330 S331 T332	Q326-W328 PolarHBondContact O-N 3.47Å; W328-N330 VanDerWaalsContact C-N 3.31Å; W328-N330 PolarHBondContact O-N 2.87Å; W328-S331 PolarHBondContact O-N 3.18Å; W328-T332 HydrophobicContact CD2-CG2 4.08Å; W328-T332 HydrophobicContact CE3-CG2 4.49Å; W328-T332 HydrophobicContact CH2-CG2 4.22Å; W328-T332 HydrophobicContact CZ2-CG2 3.76Å; W328-T332 PolarHBondContact O-N 2.79Å; W328-T332 PolarHBondContact O-OG1 2.98Å
329	Y	43.4	Very low	51.8	Low	16 Å²	16	94 Å²	94	6%	0.063	51%	0.507	C	S	.	.	H	α-helix	trans	-60.8	-41.4	176	177.5	-81.1	0	0	0	110.9	E255 A259 Q262 K325 Q326 P327 T332 L333	E255-Y329 HydrophobicContact CB-CD2 4.45Å; A259-Y329 HydrophobicContact CB-CE2 4.02Å; Q262-Y329 PolarHBondContact OE1-OH 3.13Å; Q262-Y329 VanDerWaalsContact OE1-OH 3.11Å; K325-Y329 HydrophobicContact CB-CD1 4.49Å; K325-Y329 HydrophobicContact CD-CD1 4.14Å; K325-Y329 HydrophobicContact CD-CE1 3.89Å; K325-Y329 PolarHBondContact NZ-OH 3.23Å; Q326-Y329 WeakPolarHBondContact O-CB 3.31Å; Q326-Y329 PolarHBondContact O-N 2.73Å; Q326-Y329 VanDerWaalsContact O-N 3.13Å; P327-Y329 PolarHBondContact O-N 2.91Å; Y329-T332 PolarHBondContact O-OG1 2.96Å; Y329-L333 HydrophobicContact CE1-CD1 3.72Å; Y329-L333 WeakPolarHBondContact O-CB 3.18Å; Y329-L333 PolarHBondContact O-N 2.93Å
330	N	49.8	Very low	54.3	Low	87 Å²	87	90.6 Å²	90.6	47%	0.465	47%	0.469	S	S	.	.	H	α-helix	trans	-71	-38.9	-179.6	-61.7	-39.2	0	0	0	112.2	K325 Q326 P327 W328 A334	K325-N330 PolarHBondContact O-ND2 3.03Å; Q326-N330 PolarHBondContact O-N 2.88Å; Q326-N330 PolarHBondContact O-ND2 3.17Å; P327-N330 PolarHBondContact O-N 2.72Å; W328-N330 VanDerWaalsContact C-N 3.31Å; W328-N330 PolarHBondContact O-N 2.87Å; N330-A334 WeakPolarHBondContact O-CB 3.23Å; N330-A334 PolarHBondContact O-N 3.34Å
331	S	54.5	Low	57.1	Low	72 Å²	72	90.5 Å²	90.5	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-64.7	-51.9	176.5	-175.2	0	0	0	0	112.1	P327 W328 L333 A334 S335	P327-S331 PolarHBondContact O-N 2.94Å; W328-S331 PolarHBondContact O-N 3.18Å; S331-L333 VanDerWaalsContact C-N 3.34Å; S331-L333 PolarHBondContact O-N 2.98Å; S331-A334 PolarHBondContact O-N 3.44Å; S331-S335 PolarHBondContact O-N 2.82Å; S331-S335 VanDerWaalsContact O-N 3.08Å
332	T	68	Low	59.6	Low	42 Å²	42	88.2 Å²	88.2	26%	0.258	45%	0.451	S	S	.	.	H	α-helix	trans	-61.7	-40.1	178.8	49.3	0	0	0	0	112	W328 Y329 S335 R336	W328-T332 HydrophobicContact CD2-CG2 4.08Å; W328-T332 HydrophobicContact CE3-CG2 4.49Å; W328-T332 HydrophobicContact CH2-CG2 4.22Å; W328-T332 HydrophobicContact CZ2-CG2 3.76Å; W328-T332 PolarHBondContact O-N 2.79Å; W328-T332 PolarHBondContact O-OG1 2.98Å; Y329-T332 PolarHBondContact O-OG1 2.96Å; T332-S335 PolarHBondContact O-N 2.89Å; T332-R336 WeakPolarHBondContact O-CG 3.48Å; T332-R336 PolarHBondContact O-N 2.75Å
333	L	71.6	Confident	62.2	Low	5 Å²	5	80.1 Å²	80.1	3%	0.026	41%	0.414	C	S	.	.	H	α-helix	trans	-68.8	-35.7	177.3	-163.2	148.8	0	0	0	112.6	A259 Q262 Y329 S331 R336 R337	A259-L333 HydrophobicContact CB-CD1 4.02Å; Q262-L333 HydrophobicContact CB-CD1 4.39Å; Q262-L333 HydrophobicContact CG-CD1 4.32Å; Y329-L333 HydrophobicContact CE1-CD1 3.72Å; Y329-L333 WeakPolarHBondContact O-CB 3.18Å; Y329-L333 PolarHBondContact O-N 2.93Å; S331-L333 VanDerWaalsContact C-N 3.34Å; S331-L333 PolarHBondContact O-N 2.98Å; L333-R336 PolarHBondContact O-N 3.14Å; L333-R337 HydrophobicContact CD2-CG 4.11Å; L333-R337 WeakPolarHBondContact O-CG 3.28Å; L333-R337 PolarHBondContact O-N 3.15Å
334	A	74.7	Confident	64.8	Low	52 Å²	52	75.9 Å²	75.9	43%	0.43	39%	0.386	S	S	.	.	H	α-helix	trans	-63.1	-43.4	172.6	0	0	0	0	0	112.2	N330 S331 R337 K338	N330-A334 WeakPolarHBondContact O-CB 3.23Å; N330-A334 PolarHBondContact O-N 3.34Å; S331-A334 PolarHBondContact O-N 3.44Å; A334-R337 WeakPolarHBondContact O-CB 3.28Å; A334-R337 PolarHBondContact O-N 2.89Å; A334-K338 PolarHBondContact O-N 3.46Å
335	S	73.8	Confident	67.1	Low	57 Å²	57	71.9 Å²	71.9	40%	0.399	37%	0.37	S	S	.	.	H	α-helix	trans	-65.2	-36.7	174.8	-67.3	0	0	0	0	112.8	S331 T332 R339	S331-S335 PolarHBondContact O-N 2.82Å; S331-S335 VanDerWaalsContact O-N 3.08Å; T332-S335 PolarHBondContact O-N 2.89Å; S335-R339 PolarHBondContact O-N 2.77Å
336	R	75.8	Confident	69.3	Low	40 Å²	40	66.8 Å²	66.8	15%	0.151	35%	0.348	C	S	.	.	H	α-helix	trans	-65.4	-42.2	172	-69.7	-176.5	-179.3	175.3	1.5	111.8	S256 I263 T332 L333 R339 L340 T380	S256-R336 PolarHBondContact OG-NH2 3.32Å; I263-R336 HydrophobicContact CD1-CB 3.51Å; I263-R336 HydrophobicContact CD1-CG 4.05Å; I263-R336 HydrophobicContact CG1-CB 4.46Å; T332-R336 WeakPolarHBondContact O-CG 3.48Å; T332-R336 PolarHBondContact O-N 2.75Å; L333-R336 PolarHBondContact O-N 3.14Å; R336-R339 PolarHBondContact O-N 3.08Å; R336-L340 PolarHBondContact O-N 2.89Å; R336-T380 HydrophobicContact CB-CG2 4.4Å; R336-T380 HydrophobicContact CG-CG2 4.29Å
337	R	80.1	Confident	71.3	Confident	108 Å²	108	62.7 Å²	62.7	41%	0.408	33%	0.329	S	S	.	.	H	α-helix	trans	-58.3	-48.4	174.3	-78.6	172.9	171.1	164.1	-3.1	112.8	E266 L333 A334 R339 L340 T341	E266-R337 IonicContact OE1-CZ 2.74Å; E266-R337 IonicContact OE1-NE 2.68Å; E266-R337 IonicContact OE1-NH2 2.96Å; E266-R337 PolarHBondContact OE1-NH2 3.29Å; E266-R337 IonicContact OE2-CZ 3.28Å; E266-R337 IonicContact OE2-NE 2.66Å; E266-R337 PolarHBondContact OE2-NE 3.3Å; E266-R337 IonicContact OE2-NH2 3.5Å; E266-R337 PolarHBondContact OE2-NH2 2.98Å; L333-R337 HydrophobicContact CD2-CG 4.11Å; L333-R337 WeakPolarHBondContact O-CG 3.28Å; L333-R337 PolarHBondContact O-N 3.15Å; A334-R337 WeakPolarHBondContact O-CB 3.28Å; A334-R337 PolarHBondContact O-N 2.89Å; R337-R339 PolarHBondContact O-N 3Å; R337-L340 WeakPolarHBondContact O-CB 3.43Å; R337-L340 PolarHBondContact O-N 3.37Å; R337-L340 VanDerWaalsContact O-N 3.11Å; R337-T341 PolarHBondContact O-N 2.94Å; R337-T341 PolarHBondContact O-OG1 3.39Å
338	K	81.9	Confident	73.6	Confident	170 Å²	170	59.4 Å²	59.4	74%	0.739	31%	0.306	S	S	*	.	H	α-helix	trans	-56.9	-39.6	179.7	-174.1	179.3	177.6	-176.6	0	111.8	A334 A342	A334-K338 PolarHBondContact O-N 3.46Å; K338-A342 PolarHBondContact O-N 3.06Å
339	R	78.9	Confident	76.1	Confident	39 Å²	39	56.7 Å²	56.7	15%	0.147	30%	0.301	C	S	.	.	H	α-helix	trans	-71.8	-39	175.8	-69.2	-169.1	-68	149.9	-12.6	113	S335 R336 R337 T341 A342 H343 F379 T380 Y382	S335-R339 PolarHBondContact O-N 2.77Å; R336-R339 PolarHBondContact O-N 3.08Å; R337-R339 PolarHBondContact O-N 3Å; R339-T341 VanDerWaalsContact C-N 3.3Å; R339-T341 PolarHBondContact O-N 2.81Å; R339-A342 PolarHBondContact O-N 3.08Å; R339-H343 PolarHBondContact O-CD2 3.46Å; R339-H343 PolarHBondContact O-N 3.43Å; R339-F379 HydrophobicContact CB-CE1 4.25Å; R339-F379 HydrophobicContact CB-CZ 4.02Å; R339-F379 PolarHBondContact NH1-O 3.3Å; R339-F379 VanDerWaalsContact NH1-O 3.13Å; R339-T380 PolarHBondContact NH2-O 2.87Å; R339-Y382 VanDerWaalsContact CZ-O 3.25Å; R339-Y382 PolarHBondContact NH1-O 2.87Å; R339-Y382 PolarHBondContact NH2-O 2.8Å
340	L	83.1	Confident	78	Confident	12 Å²	12	56.5 Å²	56.5	6%	0.063	30%	0.302	C	S	.	.	H	α-helix	trans	-54	-47.4	172.4	-171.1	84.4	0	0	0	111.1	I263 F267 R336 R337 H343 F344 L347 L376	I263-L340 HydrophobicContact CG2-CD1 3.9Å; I263-L340 HydrophobicContact CG2-CD2 4.38Å; F267-L340 HydrophobicContact CB-CD1 4.19Å; F267-L340 HydrophobicContact CB-CD2 4.12Å; F267-L340 HydrophobicContact CD2-CD1 4.2Å; R336-L340 PolarHBondContact O-N 2.89Å; R337-L340 WeakPolarHBondContact O-CB 3.43Å; R337-L340 PolarHBondContact O-N 3.37Å; R337-L340 VanDerWaalsContact O-N 3.11Å; L340-H343 CarbonylContact O-C 3.54Å; L340-H343 PolarHBondContact O-N 3.39Å; L340-F344 WeakPolarHBondContact O-CA 3.29Å; L340-F344 PolarHBondContact O-N 2.87Å; L340-L347 HydrophobicContact CD1-CD1 3.75Å; L340-L347 HydrophobicContact CG-CD1 4.49Å; L340-L376 HydrophobicContact CD1-CD2 3.7Å
341	T	82.7	Confident	79.6	Confident	108 Å²	108	53.5 Å²	53.5	66%	0.663	28%	0.284	S	S	*	.	H	α-helix	trans	-63.4	-45.3	179	-51.2	0	0	0	0	112.3	R337 R339 H343 F344	R337-T341 PolarHBondContact O-N 2.94Å; R337-T341 PolarHBondContact O-OG1 3.39Å; R339-T341 VanDerWaalsContact C-N 3.3Å; R339-T341 PolarHBondContact O-N 2.81Å; T341-H343 VanDerWaalsContact C-N 3.26Å; T341-H343 PolarHBondContact O-N 3.23Å; T341-F344 WeakPolarHBondContact O-CB 3.41Å; T341-F344 PolarHBondContact O-N 3.19Å
342	A	82.9	Confident	81	Confident	60 Å²	60	52.9 Å²	52.9	50%	0.496	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-27.9	-180	0	0	0	0	0	113.7	K338 R339 K653	K338-A342 PolarHBondContact O-N 3.06Å; R339-A342 PolarHBondContact O-N 3.08Å; A342-K653 PolarHBondContact O-NZ 3.26Å; A342-K653 VanDerWaalsContact O-NZ 3.1Å
343	H	84.4	Confident	81.5	Confident	17 Å²	17	54.3 Å²	54.3	8%	0.079	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	8.1	179.8	-70.7	-109.3	0	0	0	113.7	R339 L340 T341 E345 D346 L347 F379 T654	R339-H343 PolarHBondContact O-CD2 3.46Å; R339-H343 PolarHBondContact O-N 3.43Å; L340-H343 CarbonylContact O-C 3.54Å; L340-H343 PolarHBondContact O-N 3.39Å; T341-H343 VanDerWaalsContact C-N 3.26Å; T341-H343 PolarHBondContact O-N 3.23Å; H343-E345 PolarHBondContact O-N 2.88Å; H343-D346 PolarHBondContact O-N 3.25Å; H343-L347 HydrophobicContact CB-CD1 3.95Å; H343-L347 HydrophobicContact CB-CG 4.31Å; H343-L347 PolarHBondContact O-N 2.75Å; H343-F379 HydrophobicContact CB-CE1 4.16Å; H343-F379 HydrophobicContact CB-CE2 4.38Å; H343-F379 HydrophobicContact CB-CZ 3.73Å; H343-F379 AromaticContact CD2-CE2 3.93Å; H343-F379 AromaticContact CD2-CZ 3.47Å; H343-F379 VanDerWaalsContact CD2-CZ 3.47Å; H343-F379 WeakPolarHBondContact CD2-CZ 3.48Å; H343-F379 AromaticContact CE1-CE2 3.69Å; H343-F379 AromaticContact CG-CE2 3.72Å; H343-F379 AromaticContact CG-CZ 3.36Å; H343-F379 AromaticContact ND1-CE2 3.57Å; H343-F379 AromaticContact ND1-CZ 3.74Å; H343-F379 AromaticContact NE2-CE2 3.92Å; H343-F379 AromaticContact NE2-CZ 3.91Å; H343-T654 PolarHBondContact CE1-O 3.46Å; H343-T654 PolarHBondContact NE2-O 2.81Å
344	F	86	Confident	81.7	Confident	28 Å²	28	55.1 Å²	55.1	12%	0.123	29%	0.289	C	S	.	.	H	α-helix	trans	-56.3	-45.8	-166.2	-167.6	-87.1	0	0	0	113.3	F267 V270 A271 N274 L340 T341 D346 L347 E348	F267-F344 AromaticContact CD2-CD2 3.95Å; F267-F344 HydrophobicContact CD2-CD2 3.95Å; F267-F344 AromaticContact CD2-CE2 3.44Å; F267-F344 HydrophobicContact CD2-CE2 3.44Å; F267-F344 VanDerWaalsContact CD2-CE2 3.44Å; F267-F344 HydrophobicContact CD2-CZ 4.04Å; F267-F344 HydrophobicContact CE2-CD2 4.17Å; F267-F344 AromaticContact CE2-CE2 3.73Å; F267-F344 HydrophobicContact CE2-CE2 3.73Å; F267-F344 AromaticContact CE2-CZ 3.94Å; F267-F344 HydrophobicContact CE2-CZ 3.94Å; F267-F344 HydrophobicContact CG-CE2 4.37Å; V270-F344 HydrophobicContact CB-CE2 3.79Å; V270-F344 HydrophobicContact CB-CZ 3.76Å; V270-F344 HydrophobicContact CG1-CE1 4.09Å; V270-F344 HydrophobicContact CG1-CE2 3.7Å; V270-F344 HydrophobicContact CG1-CZ 3.45Å; V270-F344 VanDerWaalsContact CG1-CZ 3.45Å; A271-F344 HydrophobicContact CB-CZ 4.19Å; N274-F344 WeakPolarHBondContact ND2-CE1 3.41Å; L340-F344 WeakPolarHBondContact O-CA 3.29Å; L340-F344 PolarHBondContact O-N 2.87Å; T341-F344 WeakPolarHBondContact O-CB 3.41Å; T341-F344 PolarHBondContact O-N 3.19Å; F344-D346 VanDerWaalsContact C-N 3.34Å; F344-D346 PolarHBondContact O-N 3.14Å; F344-L347 PolarHBondContact O-N 2.76Å; F344-E348 HydrophobicContact CD1-CB 4.47Å; F344-E348 HydrophobicContact CE1-CB 4.27Å; F344-E348 WeakPolarHBondContact CE1-OE2 3.24Å; F344-E348 VanDerWaalsContact O-CB 3.23Å; F344-E348 WeakPolarHBondContact O-CB 2.89Å; F344-E348 PolarHBondContact O-N 2.62Å
345	E	85.5	Confident	81.6	Confident	119 Å²	119	58.3 Å²	58.3	56%	0.556	29%	0.29	S	S	*	.	H	α-helix	trans	-60.3	-40.1	179.2	-53.4	159.4	131.3	0	0	113	H343 E348 Q349 K653	H343-E345 PolarHBondContact O-N 2.88Å; E345-E348 PolarHBondContact O-N 3.31Å; E345-Q349 WeakPolarHBondContact O-CB 3.47Å; E345-Q349 VanDerWaalsContact O-CG 3.28Å; E345-Q349 WeakPolarHBondContact O-CG 3.1Å; E345-Q349 PolarHBondContact O-N 3Å; E345-K653 IonicContact OE2-NZ 3.82Å; E345-K653 PolarHBondContact OE2-NZ 3.12Å
346	D	84.8	Confident	81.2	Confident	8 Å²	8	62 Å²	62	4%	0.043	30%	0.302	C	S	.	.	H	α-helix	trans	-78	-35.7	-175.5	-164	21	0	0	0	109.8	H343 F344 C350 L651 S652 K653	H343-D346 PolarHBondContact O-N 3.25Å; F344-D346 VanDerWaalsContact C-N 3.34Å; F344-D346 PolarHBondContact O-N 3.14Å; D346-C350 VanDerWaalsContact O-CB 3.26Å; D346-C350 WeakPolarHBondContact O-CB 3.43Å; D346-C350 PolarHBondContact O-N 2.91Å; D346-L651 HydrophobicContact CB-CD2 4.17Å; D346-L651 WeakPolarHBondContact O-CD2 3.4Å; D346-S652 VanDerWaalsContact CG-N 3.34Å; D346-S652 VanDerWaalsContact OD1-CB 3.24Å; D346-S652 WeakPolarHBondContact OD1-CB 3.49Å; D346-S652 PolarHBondContact OD1-N 3.35Å; D346-S652 VanDerWaalsContact OD1-N 3.14Å; D346-S652 PolarHBondContact OD1-OG 3Å; D346-S652 WeakPolarHBondContact OD2-CA 3.37Å; D346-S652 PolarHBondContact OD2-N 2.76Å; D346-K653 HydrophobicContact CB-CD 4.39Å; D346-K653 HydrophobicContact CB-CG 4.48Å; D346-K653 PolarHBondContact OD2-N 3.01Å
347	L	85.8	Confident	80.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-68.3	-38.2	168.2	-75.9	165.1	0	0	0	112.6	F267 L340 H343 F344 C350 Y351 F372 L376 F379 L651	F267-L347 HydrophobicContact CE2-CB 3.88Å; F267-L347 HydrophobicContact CZ-CB 4.49Å; L340-L347 HydrophobicContact CD1-CD1 3.75Å; L340-L347 HydrophobicContact CG-CD1 4.49Å; H343-L347 HydrophobicContact CB-CD1 3.95Å; H343-L347 HydrophobicContact CB-CG 4.31Å; H343-L347 PolarHBondContact O-N 2.75Å; F344-L347 PolarHBondContact O-N 2.76Å; L347-C350 PolarHBondContact O-N 2.75Å; L347-Y351 VanDerWaalsContact O-CB 3.31Å; L347-Y351 WeakPolarHBondContact O-CB 3.38Å; L347-Y351 PolarHBondContact O-N 2.75Å; L347-F372 HydrophobicContact CD2-CE2 4.22Å; L347-F372 HydrophobicContact CD2-CZ 4.32Å; L347-F372 WeakPolarHBondContact O-CE2 3.44Å; L347-L376 HydrophobicContact CD1-CD2 4.08Å; L347-L376 HydrophobicContact CD2-CD2 3.69Å; L347-L376 HydrophobicContact CD2-CG 4.48Å; L347-F379 HydrophobicContact CD1-CD1 4.33Å; L347-F379 HydrophobicContact CD1-CE1 4.14Å; L347-F379 HydrophobicContact CD2-CD1 4.48Å; L347-L651 HydrophobicContact CD2-CD1 3.86Å; L347-L651 HydrophobicContact CD2-CD2 4Å; L347-L651 HydrophobicContact CD2-CG 4.5Å; L347-L651 HydrophobicContact CG-CD1 4.21Å; L347-L651 HydrophobicContact CG-CD2 4.11Å
348	E	85.7	Confident	79.4	Confident	25 Å²	25	65.1 Å²	65.1	12%	0.117	33%	0.328	C	S	.	.	H	α-helix	trans	-68.1	-45	176.5	-174.5	166.2	-155.9	0	0	110.9	F267 F344 E345 C350 Y351 F352	F267-E348 HydrophobicContact CZ-CB 4.5Å; F344-E348 HydrophobicContact CD1-CB 4.47Å; F344-E348 HydrophobicContact CE1-CB 4.27Å; F344-E348 WeakPolarHBondContact CE1-OE2 3.24Å; F344-E348 VanDerWaalsContact O-CB 3.23Å; F344-E348 WeakPolarHBondContact O-CB 2.89Å; F344-E348 PolarHBondContact O-N 2.62Å; E345-E348 PolarHBondContact O-N 3.31Å; E348-C350 VanDerWaalsContact C-N 3.33Å; E348-C350 PolarHBondContact O-N 2.79Å; E348-Y351 PolarHBondContact O-N 2.88Å; E348-F352 HydrophobicContact CG-CD2 3.67Å; E348-F352 HydrophobicContact CG-CE2 3.52Å; E348-F352 VanDerWaalsContact O-CD2 3.23Å; E348-F352 WeakPolarHBondContact O-CD2 3.26Å; E348-F352 PolarHBondContact O-N 3.48Å
349	Q	84.6	Confident	78	Confident	126 Å²	126	63.3 Å²	63.3	59%	0.589	33%	0.325	S	S	*	.	H	α-helix	trans	-59.3	-42.7	169.4	-73.4	176.2	21.5	0	0	111.5	E345 S353	E345-Q349 WeakPolarHBondContact O-CB 3.47Å; E345-Q349 VanDerWaalsContact O-CG 3.28Å; E345-Q349 WeakPolarHBondContact O-CG 3.1Å; E345-Q349 PolarHBondContact O-N 3Å; Q349-S353 WeakPolarHBondContact O-CB 3.31Å; Q349-S353 PolarHBondContact O-N 3.14Å; Q349-S353 PolarHBondContact O-OG 3.27Å
350	C	83.5	Confident	76.7	Confident	12 Å²	12	66.3 Å²	66.3	8%	0.081	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-45.9	177.5	-171.6	0	0	0	0	112.4	D346 L347 E348 S353 T354 L651	D346-C350 VanDerWaalsContact O-CB 3.26Å; D346-C350 WeakPolarHBondContact O-CB 3.43Å; D346-C350 PolarHBondContact O-N 2.91Å; L347-C350 PolarHBondContact O-N 2.75Å; E348-C350 VanDerWaalsContact C-N 3.33Å; E348-C350 PolarHBondContact O-N 2.79Å; C350-S353 PolarHBondContact O-N 3.17Å; C350-T354 WeakPolarHBondContact O-CB 3.19Å; C350-T354 PolarHBondContact O-N 2.89Å; C350-T354 PolarHBondContact O-OG1 3.44Å; C350-L651 HydrophobicContact CB-CD2 4.16Å
351	Y	84.2	Confident	75	Confident	24 Å²	24	71 Å²	71	9%	0.094	38%	0.377	C	S	.	.	H	α-helix	trans	-58.7	-51.8	177.8	175.2	-110.1	0	0	0	111.9	F267 L268 L347 E348 R355 L369 F372	F267-Y351 HydrophobicContact CE1-CD1 4.25Å; F267-Y351 HydrophobicContact CE1-CD2 4.3Å; F267-Y351 AromaticContact CE1-CG 3.93Å; F267-Y351 HydrophobicContact CE1-CG 3.93Å; F267-Y351 HydrophobicContact CZ-CG 4.3Å; L268-Y351 HydrophobicContact CD2-CE1 4.42Å; L268-Y351 HydrophobicContact CD2-CE2 3.97Å; L347-Y351 VanDerWaalsContact O-CB 3.31Å; L347-Y351 WeakPolarHBondContact O-CB 3.38Å; L347-Y351 PolarHBondContact O-N 2.75Å; E348-Y351 PolarHBondContact O-N 2.88Å; Y351-R355 VanDerWaalsContact O-CB 3.29Å; Y351-R355 WeakPolarHBondContact O-CB 3.22Å; Y351-R355 PolarHBondContact O-N 3.26Å; Y351-R355 PolarHBondContact OH-NH1 3.22Å; Y351-L369 HydrophobicContact CE2-CD2 4.23Å; Y351-F372 HydrophobicContact CD2-CB 4.31Å; Y351-F372 AromaticContact CD2-CD1 3.77Å; Y351-F372 HydrophobicContact CD2-CD1 3.77Å; Y351-F372 HydrophobicContact CD2-CD2 4.14Å; Y351-F372 HydrophobicContact CD2-CE1 4.12Å; Y351-F372 HydrophobicContact CD2-CE2 4.47Å; Y351-F372 AromaticContact CD2-CG 3.79Å; Y351-F372 HydrophobicContact CD2-CG 3.79Å; Y351-F372 HydrophobicContact CD2-CZ 4.45Å; Y351-F372 HydrophobicContact CE2-CD1 4.46Å
352	F	83.3	Confident	73.2	Confident	59 Å²	59	74.4 Å²	74.4	26%	0.259	39%	0.391	S	S	.	.	H	α-helix	trans	-69.6	-33.7	178	-71.7	-60.6	0	0	0	112.7	K275 E348 R355 M356	K275-F352 HydrophobicContact CD-CE2 4.29Å; K275-F352 HydrophobicContact CD-CZ 4.1Å; K275-F352 HydrophobicContact CG-CE2 4.22Å; K275-F352 HydrophobicContact CG-CZ 3.73Å; E348-F352 HydrophobicContact CG-CD2 3.67Å; E348-F352 HydrophobicContact CG-CE2 3.52Å; E348-F352 VanDerWaalsContact O-CD2 3.23Å; E348-F352 WeakPolarHBondContact O-CD2 3.26Å; E348-F352 PolarHBondContact O-N 3.48Å; F352-R355 PolarHBondContact O-N 2.78Å; F352-M356 WeakPolarHBondContact O-CB 3.05Å; F352-M356 PolarHBondContact O-N 3.18Å
353	S	78.3	Confident	71.5	Confident	72 Å²	72	75.3 Å²	75.3	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-63.8	-48.3	175.2	-57.9	0	0	0	0	111.6	Q349 C350 R355 M356 S357	Q349-S353 WeakPolarHBondContact O-CB 3.31Å; Q349-S353 PolarHBondContact O-N 3.14Å; Q349-S353 PolarHBondContact O-OG 3.27Å; C350-S353 PolarHBondContact O-N 3.17Å; S353-R355 VanDerWaalsContact C-N 3.3Å; S353-R355 PolarHBondContact O-N 3.11Å; S353-M356 PolarHBondContact O-N 2.85Å; S353-S357 VanDerWaalsContact O-CB 3.28Å; S353-S357 WeakPolarHBondContact O-CB 3.41Å; S353-S357 PolarHBondContact O-N 2.88Å
354	T	75.3	Confident	70	Confident	21 Å²	21	83.8 Å²	83.8	13%	0.129	43%	0.425	C	S	.	.	H	α-helix	trans	-57.6	-44.9	176.1	-58.9	0	0	0	0	110.9	C350 S357 E371	C350-T354 WeakPolarHBondContact O-CB 3.19Å; C350-T354 PolarHBondContact O-N 2.89Å; C350-T354 PolarHBondContact O-OG1 3.44Å; T354-S357 WeakPolarHBondContact O-CB 3.3Å; T354-E371 HydrophobicContact CG2-CB 4.31Å; T354-E371 HydrophobicContact CG2-CG 4.15Å; T354-E371 WeakPolarHBondContact CG2-OE1 3.22Å
355	R	73.6	Confident	68.5	Low	120 Å²	120	87.6 Å²	87.6	45%	0.453	45%	0.451	S	S	.	.	H	α-helix	trans	-68.6	-36	179.6	-170.7	169.5	-177.3	174.5	-2.9	113.6	Y351 F352 S353	Y351-R355 VanDerWaalsContact O-CB 3.29Å; Y351-R355 WeakPolarHBondContact O-CB 3.22Å; Y351-R355 PolarHBondContact O-N 3.26Å; Y351-R355 PolarHBondContact OH-NH1 3.22Å; F352-R355 PolarHBondContact O-N 2.78Å; S353-R355 VanDerWaalsContact C-N 3.3Å; S353-R355 PolarHBondContact O-N 3.11Å
356	M	64.6	Low	67	Low	133 Å²	133	84.9 Å²	84.9	66%	0.655	45%	0.449	S	S	*	.	H	α-helix	trans	-78.3	-31.8	180	-161.5	115.8	68.3	0	0	112.4	F352 S353 R358 I359	F352-M356 WeakPolarHBondContact O-CB 3.05Å; F352-M356 PolarHBondContact O-N 3.18Å; S353-M356 PolarHBondContact O-N 2.85Å; M356-R358 PolarHBondContact O-N 2.96Å; M356-R358 VanDerWaalsContact O-N 3.07Å; M356-I359 HydrophobicContact CB-CD1 4.47Å; M356-I359 HydrophobicContact CG-CD1 4.17Å; M356-I359 PolarHBondContact O-N 2.85Å; M356-I359 HydrophobicContact SD-CD1 4.31Å
357	S	61.5	Low	65.9	Low	89 Å²	89	87 Å²	87	62%	0.622	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-27.9	-179.4	-171.7	0	0	0	0	114.5	S353 T354	S353-S357 VanDerWaalsContact O-CB 3.28Å; S353-S357 WeakPolarHBondContact O-CB 3.41Å; S353-S357 PolarHBondContact O-N 2.88Å; T354-S357 WeakPolarHBondContact O-CB 3.3Å
358	R	57.3	Low	65.1	Low	125 Å²	125	88.7 Å²	88.7	47%	0.472	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	25	-176.2	-50.3	-164.9	-154.6	-159.9	10.9	114.6	M356 S360 D361 E371	M356-R358 PolarHBondContact O-N 2.96Å; M356-R358 VanDerWaalsContact O-N 3.07Å; R358-S360 PolarHBondContact O-N 2.93Å; R358-D361 PolarHBondContact O-N 3.02Å; R358-E371 IonicContact CZ-OE2 2.66Å; R358-E371 IonicContact NH2-OE2 3.53Å; R358-E371 PolarHBondContact NH2-OE2 2.82Å
359	I	53	Low	64.7	Low	132 Å²	132	90.7 Å²	90.7	68%	0.677	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-13	170.6	-65	177.7	0	0	0	111.5	M356	M356-I359 HydrophobicContact CB-CD1 4.47Å; M356-I359 HydrophobicContact CG-CD1 4.17Å; M356-I359 PolarHBondContact O-N 2.85Å; M356-I359 HydrophobicContact SD-CD1 4.31Å
360	S	51.4	Low	64.4	Low	102 Å²	102	89.3 Å²	89.3	71%	0.713	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-13.7	172.9	54.2	0	0	0	0	115.6	R358	R358-S360 PolarHBondContact O-N 2.93Å
361	D	46.2	Very low	64.2	Low	110 Å²	110	92.3 Å²	92.3	59%	0.588	49%	0.493	S	S	*	.	S	Bend	trans	-119.4	113	-178.1	-85.2	-55.5	0	0	0	110.2	R358 S363	R358-D361 PolarHBondContact O-N 3.02Å; D361-S363 PolarHBondContact O-N 3.12Å
362	D	45.7	Very low	64.2	Low	180 Å²	180	91.2 Å²	91.2	96%	0.963	49%	0.489	S	S	*	.			trans	-78.9	43	-168.5	-155	12.7	0	0	0	113.4
363	S	46.4	Very low	64.2	Low	80 Å²	80	90 Å²	90	56%	0.559	48%	0.484	S	S	*	.	S	Bend	trans	-136	109.9	-169.1	-169.8	0	0	0	0	113.1	D361	D361-S363 PolarHBondContact O-N 3.12Å
364	R	53.4	Low	64.5	Low	194 Å²	194	91.4 Å²	91.4	73%	0.732	48%	0.482	S	S	*	.			trans	66.1	92.9	160.1	-56.5	176	-173.5	-163.7	0.2	116.4	A366 S367	R364-A366 VanDerWaalsContact C-N 3.26Å; R364-A366 PolarHBondContact O-N 2.98Å; R364-S367 PolarHBondContact O-OG 3.41Å
365	T	53.3	Low	65	Low	109 Å²	109	90.7 Å²	90.7	67%	0.669	48%	0.478	S	S	*	.	S	Bend	trans	-61.7	-26	166.5	47.7	0	0	0	0	114.3	Q368	T365-Q368 WeakPolarHBondContact O-CB 3.41Å; T365-Q368 PolarHBondContact O-N 2.72Å
366	A	54.3	Low	65.5	Low	62 Å²	62	85.3 Å²	85.3	51%	0.512	46%	0.459	S	S	.	.	H	α-helix	trans	-58.4	-51.9	-179.8	0	0	0	0	0	112.2	R364 Q368 L369 D370	R364-A366 VanDerWaalsContact C-N 3.26Å; R364-A366 PolarHBondContact O-N 2.98Å; A366-Q368 PolarHBondContact O-N 2.96Å; A366-L369 PolarHBondContact O-N 2.98Å; A366-D370 PolarHBondContact O-N 2.67Å
367	S	62.8	Low	66.4	Low	52 Å²	52	80.7 Å²	80.7	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-59.7	-20.3	-179.5	30.5	0	0	0	0	114.6	R364 D370 E371	R364-S367 PolarHBondContact O-OG 3.41Å; S367-D370 WeakPolarHBondContact CA-OD2 3.26Å; S367-E371 WeakPolarHBondContact O-CB 3.15Å; S367-E371 PolarHBondContact O-N 3.27Å
368	Q	69.3	Low	67.7	Low	35 Å²	35	78.7 Å²	78.7	16%	0.164	42%	0.419	C	S	.	.	H	α-helix	trans	-73.8	-31.1	176	-56.3	177.4	-2.4	0	0	112.1	T365 A366 F372	T365-Q368 WeakPolarHBondContact O-CB 3.41Å; T365-Q368 PolarHBondContact O-N 2.72Å; A366-Q368 PolarHBondContact O-N 2.96Å; Q368-F372 PolarHBondContact O-N 2.81Å
369	L	77.1	Confident	69.1	Low	67 Å²	67	72.8 Å²	72.8	35%	0.351	40%	0.397	S	S	.	.	H	α-helix	trans	-78.5	-35	172.9	-75.3	169.8	0	0	0	111.1	L268 Y351 A366 F372 Q373	L268-L369 HydrophobicContact CD1-CD2 4.11Å; L268-L369 HydrophobicContact CD2-CD2 4.45Å; Y351-L369 HydrophobicContact CE2-CD2 4.23Å; A366-L369 PolarHBondContact O-N 2.98Å; L369-F372 PolarHBondContact O-N 2.85Å; L369-Q373 VanDerWaalsContact O-CB 3.3Å; L369-Q373 WeakPolarHBondContact O-CB 3.46Å; L369-Q373 PolarHBondContact O-N 3.25Å
370	D	78.9	Confident	70.5	Confident	98 Å²	98	66.7 Å²	66.7	52%	0.524	37%	0.366	S	S	.	.	H	α-helix	trans	-63.3	-47.6	175.9	-56.2	-38.6	0	0	0	111.2	A366 S367 F372 Q373 E374	A366-D370 PolarHBondContact O-N 2.67Å; S367-D370 WeakPolarHBondContact CA-OD2 3.26Å; D370-F372 VanDerWaalsContact C-N 3.31Å; D370-F372 PolarHBondContact O-N 3Å; D370-Q373 PolarHBondContact O-N 2.82Å; D370-E374 PolarHBondContact O-N 2.72Å
371	E	78.4	Confident	72.1	Confident	75 Å²	75	65.9 Å²	65.9	35%	0.35	35%	0.347	S	S	.	.	H	α-helix	trans	-58.7	-40.1	176	-168	-179.2	140.7	0	0	111.7	T354 R358 S367 C375	T354-E371 HydrophobicContact CG2-CB 4.31Å; T354-E371 HydrophobicContact CG2-CG 4.15Å; T354-E371 WeakPolarHBondContact CG2-OE1 3.22Å; R358-E371 IonicContact CZ-OE2 2.66Å; R358-E371 IonicContact NH2-OE2 3.53Å; R358-E371 PolarHBondContact NH2-OE2 2.82Å; S367-E371 WeakPolarHBondContact O-CB 3.15Å; S367-E371 PolarHBondContact O-N 3.27Å; E371-C375 WeakPolarHBondContact O-CB 3.46Å; E371-C375 PolarHBondContact O-N 3.43Å
372	F	83.6	Confident	74	Confident	1 Å²	1	61 Å²	61	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-76.5	-31.4	176.6	-175.5	-106.8	0	0	0	113.5	L264 F267 L347 Y351 Q368 L369 D370 C375 L376	L264-F372 HydrophobicContact CD1-CD1 3.71Å; L264-F372 HydrophobicContact CD1-CE1 3.92Å; F267-F372 AromaticContact CD1-CE1 3.45Å; F267-F372 HydrophobicContact CD1-CE1 3.45Å; F267-F372 VanDerWaalsContact CD1-CE1 3.45Å; F267-F372 AromaticContact CD1-CZ 3.81Å; F267-F372 HydrophobicContact CD1-CZ 3.81Å; F267-F372 HydrophobicContact CD2-CZ 4.46Å; F267-F372 HydrophobicContact CE1-CD1 4.43Å; F267-F372 AromaticContact CE1-CE1 3.36Å; F267-F372 HydrophobicContact CE1-CE1 3.36Å; F267-F372 HydrophobicContact CE1-CE2 4.48Å; F267-F372 AromaticContact CE1-CZ 3.4Å; F267-F372 HydrophobicContact CE1-CZ 3.4Å; F267-F372 HydrophobicContact CE2-CZ 4.12Å; F267-F372 HydrophobicContact CG-CE1 4.2Å; F267-F372 HydrophobicContact CG-CZ 4.33Å; F267-F372 HydrophobicContact CZ-CE1 4.04Å; F267-F372 HydrophobicContact CZ-CE2 4.47Å; F267-F372 AromaticContact CZ-CZ 3.57Å; F267-F372 HydrophobicContact CZ-CZ 3.57Å; L347-F372 HydrophobicContact CD2-CE2 4.22Å; L347-F372 HydrophobicContact CD2-CZ 4.32Å; L347-F372 WeakPolarHBondContact O-CE2 3.44Å; Y351-F372 HydrophobicContact CD2-CB 4.31Å; Y351-F372 AromaticContact CD2-CD1 3.77Å; Y351-F372 HydrophobicContact CD2-CD1 3.77Å; Y351-F372 HydrophobicContact CD2-CD2 4.14Å; Y351-F372 HydrophobicContact CD2-CE1 4.12Å; Y351-F372 HydrophobicContact CD2-CE2 4.47Å; Y351-F372 AromaticContact CD2-CG 3.79Å; Y351-F372 HydrophobicContact CD2-CG 3.79Å; Y351-F372 HydrophobicContact CD2-CZ 4.45Å; Y351-F372 HydrophobicContact CE2-CD1 4.46Å; Q368-F372 PolarHBondContact O-N 2.81Å; L369-F372 PolarHBondContact O-N 2.85Å; D370-F372 VanDerWaalsContact C-N 3.31Å; D370-F372 PolarHBondContact O-N 3Å; F372-C375 HydrophobicContact CD2-CB 4.46Å; F372-C375 WeakPolarHBondContact O-CB 3.38Å; F372-C375 PolarHBondContact O-N 3.2Å; F372-L376 HydrophobicContact CD1-CD1 4.04Å; F372-L376 HydrophobicContact CD1-CG 4.45Å; F372-L376 HydrophobicContact CE1-CD1 3.5Å; F372-L376 HydrophobicContact CE1-CG 3.91Å; F372-L376 HydrophobicContact CZ-CD1 4.04Å; F372-L376 HydrophobicContact CZ-CD2 4.31Å; F372-L376 HydrophobicContact CZ-CG 3.98Å; F372-L376 PolarHBondContact O-N 3.4Å
373	Q	83.4	Confident	75.9	Confident	33 Å²	33	56.5 Å²	56.5	15%	0.154	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-39.7	171.8	-178.2	170.6	-44.5	0	0	111	H257 L264 L369 D370 L376 S377	H257-Q373 PolarHBondContact NE2-NE2 3.2Å; L264-Q373 HydrophobicContact CD2-CB 4.21Å; L264-Q373 HydrophobicContact CD2-CG 4.44Å; L369-Q373 VanDerWaalsContact O-CB 3.3Å; L369-Q373 WeakPolarHBondContact O-CB 3.46Å; L369-Q373 PolarHBondContact O-N 3.25Å; D370-Q373 PolarHBondContact O-N 2.82Å; Q373-L376 PolarHBondContact O-N 2.89Å; Q373-S377 VanDerWaalsContact O-CB 3.31Å; Q373-S377 WeakPolarHBondContact O-CB 3.36Å; Q373-S377 PolarHBondContact O-N 3.36Å
374	E	84.8	Confident	77.7	Confident	101 Å²	101	55.5 Å²	55.5	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-62.1	-44	171.6	-172.2	-178.5	-170.4	0	0	111	D370 L376 S377 K378	D370-E374 PolarHBondContact O-N 2.72Å; E374-L376 PolarHBondContact O-N 3.44Å; E374-S377 WeakPolarHBondContact O-CB 3.31Å; E374-S377 PolarHBondContact O-N 3.42Å; E374-K378 HydrophobicContact CG-CD 4.13Å; E374-K378 WeakPolarHBondContact O-CG 3.44Å; E374-K378 PolarHBondContact O-N 2.87Å; E374-K378 WeakPolarHBondContact OE1-CE 3.46Å; E374-K378 IonicContact OE1-NZ 2.66Å; E374-K378 PolarHBondContact OE1-NZ 3.19Å
375	C	86	Confident	79.6	Confident	7 Å²	7	47.5 Å²	47.5	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-57.5	-47.4	174	179.6	0	0	0	0	112.6	E371 F372 F379	E371-C375 WeakPolarHBondContact O-CB 3.46Å; E371-C375 PolarHBondContact O-N 3.43Å; F372-C375 HydrophobicContact CD2-CB 4.46Å; F372-C375 WeakPolarHBondContact O-CB 3.38Å; F372-C375 PolarHBondContact O-N 3.2Å; C375-F379 VanDerWaalsContact O-CB 3.3Å; C375-F379 WeakPolarHBondContact O-CB 3.3Å; C375-F379 PolarHBondContact O-N 2.85Å
376	L	84.1	Confident	81.5	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-63.4	-38.9	174	-79.8	173.6	0	0	0	112.5	L264 L340 L347 F372 Q373 E374 T380	L264-L376 HydrophobicContact CB-CD1 4.18Å; L264-L376 HydrophobicContact CD1-CD1 3.9Å; L340-L376 HydrophobicContact CD1-CD2 3.7Å; L347-L376 HydrophobicContact CD1-CD2 4.08Å; L347-L376 HydrophobicContact CD2-CD2 3.69Å; L347-L376 HydrophobicContact CD2-CG 4.48Å; F372-L376 HydrophobicContact CD1-CD1 4.04Å; F372-L376 HydrophobicContact CD1-CG 4.45Å; F372-L376 HydrophobicContact CE1-CD1 3.5Å; F372-L376 HydrophobicContact CE1-CG 3.91Å; F372-L376 HydrophobicContact CZ-CD1 4.04Å; F372-L376 HydrophobicContact CZ-CD2 4.31Å; F372-L376 HydrophobicContact CZ-CG 3.98Å; F372-L376 PolarHBondContact O-N 3.4Å; Q373-L376 PolarHBondContact O-N 2.89Å; E374-L376 PolarHBondContact O-N 3.44Å; L376-T380 WeakPolarHBondContact O-CB 3.48Å; L376-T380 WeakPolarHBondContact O-CG2 3.39Å; L376-T380 PolarHBondContact O-N 3.42Å; L376-T380 PolarHBondContact O-OG1 2.95Å
377	S	84.4	Confident	83.3	Confident	35 Å²	35	49.2 Å²	49.2	25%	0.245	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-52.8	177	-178	0	0	0	0	111.1	Q260 Q373 E374 T380 R381	Q260-S377 PolarHBondContact NE2-OG 3.32Å; Q373-S377 VanDerWaalsContact O-CB 3.31Å; Q373-S377 WeakPolarHBondContact O-CB 3.36Å; Q373-S377 PolarHBondContact O-N 3.36Å; E374-S377 WeakPolarHBondContact O-CB 3.31Å; E374-S377 PolarHBondContact O-N 3.42Å; S377-T380 CarbonylContact O-C 3.55Å; S377-T380 PolarHBondContact O-N 3.17Å; S377-T380 PolarHBondContact O-OG1 2.9Å; S377-R381 PolarHBondContact O-N 3.29Å
378	K	87.2	Confident	84.7	Confident	47 Å²	47	49.3 Å²	49.3	20%	0.204	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-43	179.4	-68.6	176.2	-179	175.6	0	112.4	E374 T380 R381 D633 Y634 Y648	E374-K378 HydrophobicContact CG-CD 4.13Å; E374-K378 WeakPolarHBondContact O-CG 3.44Å; E374-K378 PolarHBondContact O-N 2.87Å; E374-K378 WeakPolarHBondContact OE1-CE 3.46Å; E374-K378 IonicContact OE1-NZ 2.66Å; E374-K378 PolarHBondContact OE1-NZ 3.19Å; K378-T380 VanDerWaalsContact C-N 3.31Å; K378-T380 PolarHBondContact O-N 3.41Å; K378-R381 PolarHBondContact O-N 3.28Å; K378-D633 HydrophobicContact CD-CB 4.36Å; K378-D633 VanDerWaalsContact CD-OD2 3.31Å; K378-D633 WeakPolarHBondContact CD-OD2 3.5Å; K378-D633 WeakPolarHBondContact CE-OD2 3.36Å; K378-D633 IonicContact NZ-OD2 3.92Å; K378-D633 PolarHBondContact NZ-OD2 3.02Å; K378-Y634 WeakPolarHBondContact CA-OH 3.19Å; K378-Y634 PolarHBondContact O-OH 3.43Å; K378-Y648 HydrophobicContact CB-CD2 3.95Å; K378-Y648 HydrophobicContact CB-CE2 3.51Å; K378-Y648 HydrophobicContact CD-CE2 3.8Å; K378-Y648 HydrophobicContact CG-CE2 4.29Å
379	F	86.4	Confident	85.8	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-38.3	173.9	168.5	-116.3	0	0	0	112.6	R339 H343 L347 C375 Y648 L651 L655	R339-F379 HydrophobicContact CB-CE1 4.25Å; R339-F379 HydrophobicContact CB-CZ 4.02Å; R339-F379 PolarHBondContact NH1-O 3.3Å; R339-F379 VanDerWaalsContact NH1-O 3.13Å; H343-F379 HydrophobicContact CB-CE1 4.16Å; H343-F379 HydrophobicContact CB-CE2 4.38Å; H343-F379 HydrophobicContact CB-CZ 3.73Å; H343-F379 AromaticContact CD2-CE2 3.93Å; H343-F379 AromaticContact CD2-CZ 3.47Å; H343-F379 VanDerWaalsContact CD2-CZ 3.47Å; H343-F379 WeakPolarHBondContact CD2-CZ 3.48Å; H343-F379 AromaticContact CE1-CE2 3.69Å; H343-F379 AromaticContact CG-CE2 3.72Å; H343-F379 AromaticContact CG-CZ 3.36Å; H343-F379 AromaticContact ND1-CE2 3.57Å; H343-F379 AromaticContact ND1-CZ 3.74Å; H343-F379 AromaticContact NE2-CE2 3.92Å; H343-F379 AromaticContact NE2-CZ 3.91Å; L347-F379 HydrophobicContact CD1-CD1 4.33Å; L347-F379 HydrophobicContact CD1-CE1 4.14Å; L347-F379 HydrophobicContact CD2-CD1 4.48Å; C375-F379 VanDerWaalsContact O-CB 3.3Å; C375-F379 WeakPolarHBondContact O-CB 3.3Å; C375-F379 PolarHBondContact O-N 2.85Å; F379-Y648 HydrophobicContact CB-CD1 4.3Å; F379-L651 HydrophobicContact CB-CD1 3.84Å; F379-L651 HydrophobicContact CD1-CD1 4.18Å; F379-L651 HydrophobicContact CD2-CD1 3.49Å; F379-L651 VanDerWaalsContact CD2-CD1 3.49Å; F379-L651 HydrophobicContact CE2-CD1 4.11Å; F379-L651 HydrophobicContact CG-CD1 3.54Å; F379-L655 HydrophobicContact CD2-CD1 4.17Å; F379-L655 HydrophobicContact CD2-CG 4.18Å; F379-L655 HydrophobicContact CE2-CG 4.33Å
380	T	84.4	Confident	86.5	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-90.6	-7.5	-178.3	60	0	0	0	0	115.2	R336 R339 L376 S377 K378	R336-T380 HydrophobicContact CB-CG2 4.4Å; R336-T380 HydrophobicContact CG-CG2 4.29Å; R339-T380 PolarHBondContact NH2-O 2.87Å; L376-T380 WeakPolarHBondContact O-CB 3.48Å; L376-T380 WeakPolarHBondContact O-CG2 3.39Å; L376-T380 PolarHBondContact O-N 3.42Å; L376-T380 PolarHBondContact O-OG1 2.95Å; S377-T380 CarbonylContact O-C 3.55Å; S377-T380 PolarHBondContact O-N 3.17Å; S377-T380 PolarHBondContact O-OG1 2.9Å; K378-T380 VanDerWaalsContact C-N 3.31Å; K378-T380 PolarHBondContact O-N 3.41Å
381	R	84.9	Confident	87.1	Confident	85 Å²	85	43.6 Å²	43.6	32%	0.321	22%	0.222	S	C	.	.	H	α-helix	trans	-50.1	-64.6	-177.6	179.7	174.5	168	133.8	-2.5	112.2	S377 K378 E692 N694	S377-R381 PolarHBondContact O-N 3.29Å; K378-R381 PolarHBondContact O-N 3.28Å; R381-E692 IonicContact CZ-OE1 3.35Å; R381-E692 IonicContact CZ-OE2 3.6Å; R381-E692 VanDerWaalsContact NH1-CD 3.29Å; R381-E692 IonicContact NH1-OE1 3.92Å; R381-E692 PolarHBondContact NH1-OE1 2.89Å; R381-E692 IonicContact NH1-OE2 3.37Å; R381-E692 PolarHBondContact NH1-OE2 2.99Å; R381-E692 VanDerWaalsContact NH1-OE2 3.09Å; R381-E692 IonicContact NH2-OE1 2.71Å; R381-E692 IonicContact NH2-OE2 3.48Å; R381-E692 PolarHBondContact NH2-OE2 3.04Å; R381-N694 PolarHBondContact NH2-OD1 3.39Å
382	Y	86.3	Confident	87.7	Confident	7 Å²	7	43.2 Å²	43.2	3%	0.027	23%	0.227	C	C	.	.			trans	-90.9	152.3	176.2	-49.3	-58	0	0	0	111	R339 Y634 N694 L710 V711	R339-Y382 VanDerWaalsContact CZ-O 3.25Å; R339-Y382 PolarHBondContact NH1-O 2.87Å; R339-Y382 PolarHBondContact NH2-O 2.8Å; Y382-Y634 HydrophobicContact CD2-CD1 4.43Å; Y382-Y634 AromaticContact CD2-CE1 3.94Å; Y382-Y634 HydrophobicContact CD2-CE1 3.94Å; Y382-Y634 HydrophobicContact CD2-CE2 4.46Å; Y382-Y634 AromaticContact CD2-CZ 3.97Å; Y382-Y634 HydrophobicContact CE2-CD1 4.36Å; Y382-Y634 HydrophobicContact CE2-CD2 4.09Å; Y382-Y634 AromaticContact CE2-CE1 3.96Å; Y382-Y634 HydrophobicContact CE2-CE1 3.96Å; Y382-Y634 AromaticContact CE2-CE2 3.67Å; Y382-Y634 HydrophobicContact CE2-CE2 3.67Å; Y382-Y634 HydrophobicContact CE2-CG 4.42Å; Y382-Y634 AromaticContact CE2-CZ 3.6Å; Y382-N694 HydrophobicContact CE1-CB 4.18Å; Y382-N694 PolarHBondContact OH-OD1 3.14Å; Y382-L710 HydrophobicContact CD1-CB 3.47Å; Y382-L710 VanDerWaalsContact CD1-CB 3.47Å; Y382-L710 HydrophobicContact CD2-CB 4.03Å; Y382-L710 HydrophobicContact CD2-CD1 3.67Å; Y382-L710 HydrophobicContact CD2-CG 4.5Å; Y382-L710 HydrophobicContact CE1-CB 3.77Å; Y382-L710 HydrophobicContact CE2-CB 4.27Å; Y382-L710 HydrophobicContact CE2-CD1 3.72Å; Y382-L710 HydrophobicContact CG-CB 3.61Å; Y382-L710 HydrophobicContact CG-CD1 4.13Å; Y382-L710 HydrophobicContact CG-CG 4.49Å; Y382-V711 CarbonylContact C-O 3.59Å
383	N	84	Confident	88	Confident	87 Å²	87	43.2 Å²	43.2	47%	0.465	23%	0.227	S	C	.	.			trans	-140.8	-19.2	-178.6	80.6	106.9	0	0	0	113.9	V711	N383-V711 CarbonylContact C-O 2.88Å; N383-V711 WeakPolarHBondContact CA-O 3.3Å; N383-V711 PolarHBondContact N-O 2.72Å; N383-V711 PolarHBondContact ND2-O 2.94Å; N383-V711 PolarHBondContact ND2-OXT 3.01Å
384	S	85.5	Confident	87.9	Confident	59 Å²	59	43.1 Å²	43.1	41%	0.413	23%	0.232	S	C	.	.			trans	-142.3	175.7	-179.4	-162.9	0	0	0	0	111.8	V711	S384-V711 PolarHBondContact N-O 3.23Å; S384-V711 PolarHBondContact O-N 3.34Å; S384-V711 VanDerWaalsContact O-N 3.17Å
385	V	92.5	Very high	86.9	Confident	26 Å²	26	41.1 Å²	41.1	16%	0.158	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	120	-178.8	-101.7	0	0	0	0	108.1	L656 F658 E709 L710	V385-L656 HydrophobicContact CG1-CD1 3.64Å; V385-L656 HydrophobicContact CG2-CD1 4.4Å; V385-F658 HydrophobicContact CB-CB 4.32Å; V385-F658 HydrophobicContact CB-CD2 4.08Å; V385-F658 HydrophobicContact CG1-CB 4.35Å; V385-F658 HydrophobicContact CG2-CB 4.01Å; V385-F658 HydrophobicContact CG2-CD2 4.01Å; V385-E709 CarbonylContact C-O 3.48Å; V385-E709 WeakPolarHBondContact CA-O 3.44Å; V385-L710 HydrophobicContact CG1-CD2 3.47Å; V385-L710 VanDerWaalsContact CG1-CD2 3.47Å
386	R	92.9	Very high	85.7	Confident	148 Å²	148	44.5 Å²	44.5	56%	0.558	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.5	-178.8	-180	-173.8	-179.5	-171.8	0.9	110.1	L388 L708 E709 V711	R386-L388 HydrophobicContact CG-CD2 4.43Å; R386-L388 PolarHBondContact O-N 3.13Å; R386-L708 WeakPolarHBondContact O-CA 3.46Å; R386-E709 HydrophobicContact CB-CB 4.36Å; R386-E709 WeakPolarHBondContact CD-OE2 3.19Å; R386-E709 PolarHBondContact N-O 2.96Å; R386-E709 IonicContact NH1-OE2 3.57Å; R386-E709 PolarHBondContact O-N 2.98Å; R386-V711 HydrophobicContact CB-CG2 4.09Å
387	P	92.7	Very high	84.4	Confident	59 Å²	59	52.6 Å²	52.6	38%	0.383	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	131.9	165	-20.7	33.8	0	0	0	111.2	F658 V707 L708	P387-F658 HydrophobicContact CG-CE2 3.79Å; P387-F658 HydrophobicContact CG-CZ 4.11Å; P387-V707 WeakPolarHBondContact CA-O 3.39Å; P387-L708 HydrophobicContact CB-CD2 4.22Å; P387-L708 HydrophobicContact CG-CD2 4.12Å
388	L	92.5	Very high	83.1	Confident	54 Å²	54	61.6 Å²	61.6	28%	0.283	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-47.1	170.7	-58.2	-174.4	0	0	0	110.8	R386 I434 V695 V707 E709	R386-L388 HydrophobicContact CG-CD2 4.43Å; R386-L388 PolarHBondContact O-N 3.13Å; L388-I434 HydrophobicContact CB-CG2 4.2Å; L388-I434 HydrophobicContact CD1-CG2 4.38Å; L388-V695 HydrophobicContact CD1-CG2 4.37Å; L388-V707 HydrophobicContact CB-CB 4.27Å; L388-V707 HydrophobicContact CB-CG1 4.17Å; L388-V707 HydrophobicContact CD1-CG1 4.18Å; L388-V707 PolarHBondContact N-O 3.42Å; L388-E709 HydrophobicContact CD1-CB 4.13Å; L388-E709 HydrophobicContact CD2-CB 3.99Å; L388-E709 HydrophobicContact CG-CB 4.03Å
389	A	92.3	Very high	81.7	Confident	11 Å²	11	62.9 Å²	62.9	9%	0.091	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.3	-179.5	0	0	0	0	0	111.6	V433 K706 V707	A389-V433 HydrophobicContact CB-CG1 3.84Å; A389-V433 WeakPolarHBondContact CB-O 3.42Å; A389-K706 WeakPolarHBondContact O-CA 3.43Å; A389-V707 HydrophobicContact CB-CB 4.26Å; A389-V707 HydrophobicContact CB-CG2 4.05Å; A389-V707 PolarHBondContact O-N 3.16Å
390	T	92.1	Very high	80.8	Confident	61 Å²	61	66.9 Å²	66.9	37%	0.374	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.6	173.9	-58.9	0	0	0	0	109.5	T704 I705 K706	T390-T704 HydrophobicContact CG2-CG2 4.08Å; T390-I705 CarbonylContact C-O 3.53Å; T390-I705 VanDerWaalsContact CA-O 3.32Å; T390-I705 WeakPolarHBondContact CA-O 3.42Å; T390-K706 HydrophobicContact CG2-CG 4.06Å; T390-K706 PolarHBondContact OG1-NZ 2.96Å; T390-K706 VanDerWaalsContact OG1-NZ 3.16Å
391	L	91.5	Very high	80.9	Confident	8 Å²	8	69 Å²	69	4%	0.042	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	154.8	-179	-43	84.4	0	0	0	111	F416 Y428 V433 H441 I705 V707	L391-F416 HydrophobicContact CD2-CE2 4.47Å; L391-F416 HydrophobicContact CD2-CZ 4.1Å; L391-Y428 HydrophobicContact CD2-CD1 3.98Å; L391-Y428 HydrophobicContact CD2-CE1 3.92Å; L391-Y428 HydrophobicContact CD2-CG 4.32Å; L391-V433 HydrophobicContact CD1-CG1 3.94Å; L391-V433 HydrophobicContact CD2-CG1 3.91Å; L391-V433 HydrophobicContact CD2-CG2 3.88Å; L391-V433 HydrophobicContact CG-CG1 4.21Å; L391-H441 HydrophobicContact CD2-CB 3.95Å; L391-H441 HydrophobicContact CG-CB 4.4Å; L391-I705 HydrophobicContact CB-CB 4.12Å; L391-I705 HydrophobicContact CB-CD1 3.96Å; L391-I705 HydrophobicContact CD1-CB 4.14Å; L391-I705 HydrophobicContact CD1-CG2 3.85Å; L391-I705 PolarHBondContact N-O 3.14Å; L391-I705 PolarHBondContact O-N 2.71Å; L391-V707 HydrophobicContact CD1-CG2 4.28Å
392	S	90.4	Very high	81.3	Confident	67 Å²	67	65.8 Å²	65.8	47%	0.469	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.6	168.8	176.4	0	0	0	0	111.2	A394	S392-A394 VanDerWaalsContact C-N 3.34Å; S392-A394 PolarHBondContact OG-N 3.5Å; S392-A394 PolarHBondContact OG-O 3.37Å
393	Y	88.8	Confident	81.7	Confident	1 Å²	1	67.5 Å²	67.5	0%	0.004	39%	0.385	C	S	.	.	S	Bend	trans	-71.1	-31.3	170.1	-171.9	-119.6	0	0	0	112.2	S395 S402 V404 I418 G420 T422 K424 K426 G703	Y393-S395 PolarHBondContact O-N 2.9Å; Y393-S402 WeakPolarHBondContact CD1-O 3.38Å; Y393-V404 HydrophobicContact CD1-CG2 3.71Å; Y393-V404 HydrophobicContact CD2-CG2 4.01Å; Y393-V404 HydrophobicContact CE1-CG2 4.33Å; Y393-V404 HydrophobicContact CG-CG2 3.52Å; Y393-I418 HydrophobicContact CD2-CB 4.28Å; Y393-I418 HydrophobicContact CD2-CG2 3.47Å; Y393-I418 VanDerWaalsContact CD2-CG2 3.47Å; Y393-I418 HydrophobicContact CE2-CB 4.24Å; Y393-I418 HydrophobicContact CE2-CG2 3.61Å; Y393-I418 HydrophobicContact CG-CG2 4.33Å; Y393-G420 PolarHBondContact OH-N 3.27Å; Y393-T422 HydrophobicContact CD1-CG2 4.04Å; Y393-T422 HydrophobicContact CE1-CG2 3.66Å; Y393-T422 WeakPolarHBondContact CE1-OG1 3.14Å; Y393-T422 PolarHBondContact OH-OG1 2.85Å; Y393-K424 PolarHBondContact OH-O 3.42Å; Y393-K426 HydrophobicContact CD2-CD 4.24Å; Y393-K426 HydrophobicContact CE2-CD 4.31Å; Y393-K426 PolarHBondContact O-NZ 3.23Å; Y393-G703 WeakPolarHBondContact CB-O 3.3Å; Y393-G703 PolarHBondContact N-O 2.89Å
394	A	81.9	Confident	82.3	Confident	31 Å²	31	63.4 Å²	63.4	26%	0.256	36%	0.363	S	S	.	.			trans	-75	119.4	176.9	0	0	0	0	0	111.4	S392	S392-A394 VanDerWaalsContact C-N 3.34Å; S392-A394 PolarHBondContact OG-N 3.5Å; S392-A394 PolarHBondContact OG-O 3.37Å
395	S	63.7	Low	82.9	Confident	59 Å²	59	61.7 Å²	61.7	41%	0.413	35%	0.351	S	S	.	.			trans	-85.2	-22.9	168.6	39.1	0	0	0	0	113.4	Y393 K424	Y393-S395 PolarHBondContact O-N 2.9Å; S395-K424 PolarHBondContact OG-NZ 3.19Å
396	D	61.8	Low	83.2	Confident	78 Å²	78	60.8 Å²	60.8	42%	0.417	35%	0.346	S	S	.	.			trans	-131.2	123.1	-163.4	-53.9	-89.2	0	0	0	111.2	Y398 N399	D396-Y398 PolarHBondContact O-N 3.41Å; D396-N399 PolarHBondContact O-N 3.48Å; D396-N399 VanDerWaalsContact O-N 3.14Å
397	L	55.6	Low	83.4	Confident	176 Å²	176	53.9 Å²	53.9	92%	0.921	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.1	179.5	-68.2	86.8	0	0	0	113.7
398	Y	57	Low	83.7	Confident	224 Å²	224	53 Å²	53	88%	0.878	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-6.8	-179.5	-61.3	-76.2	0	0	0	113.9	D396 G400	D396-Y398 PolarHBondContact O-N 3.41Å; Y398-G400 PolarHBondContact O-N 2.87Å
399	N	57.7	Low	83.9	Confident	74 Å²	74	51.3 Å²	51.3	40%	0.396	30%	0.301	S	S	.	.			trans	-81.1	102.1	179.7	-110.4	-20.1	0	0	0	110.9	D396 S401	D396-N399 PolarHBondContact O-N 3.48Å; D396-N399 VanDerWaalsContact O-N 3.14Å; N399-S401 PolarHBondContact O-N 3.25Å
400	G	68.8	Low	84.2	Confident	87 Å²	87	51 Å²	51	90%	0.897	30%	0.298	S	S	*	.	S	Bend	trans	-66.4	5.2	-176.2	0	0	0	0	0	116.9	Y398	Y398-G400 PolarHBondContact O-N 2.87Å
401	S	86.5	Confident	84.2	Confident	47 Å²	47	53.4 Å²	53.4	33%	0.329	30%	0.301	S	S	.	.			trans	-160.9	134.2	168.6	-169.1	0	0	0	0	111.2	N399 V421	N399-S401 PolarHBondContact O-N 3.25Å; S401-V421 WeakPolarHBondContact O-CG2 3.11Å
402	S	92	Very high	84.3	Confident	18 Å²	18	55.4 Å²	55.4	13%	0.126	31%	0.311	C	S	.	.			trans	-130	20.1	-170.9	42.1	0	0	0	0	112.6	Y393 V404 Q702 G703	Y393-S402 WeakPolarHBondContact CD1-O 3.38Å; S402-V404 PolarHBondContact O-N 2.94Å; S402-V404 VanDerWaalsContact O-N 3.15Å; S402-Q702 WeakPolarHBondContact CB-O 3.37Å; S402-Q702 PolarHBondContact OG-O 3.07Å; S402-G703 WeakPolarHBondContact O-CA 3.22Å; S402-G703 PolarHBondContact O-N 3.09Å
403	I	94.8	Very high	84.6	Confident	43 Å²	43	52.4 Å²	52.4	22%	0.221	29%	0.291	C	S	.	.			trans	-56.3	117.5	179.2	-54.9	165.4	0	0	0	110.5	V421 F679 S701	I403-V421 HydrophobicContact CB-CG1 4.02Å; I403-V421 HydrophobicContact CB-CG2 3.94Å; I403-V421 HydrophobicContact CG1-CG2 4.49Å; I403-V421 PolarHBondContact O-N 3.36Å; I403-F679 HydrophobicContact CD1-CZ 4.27Å; I403-F679 HydrophobicContact CG2-CE2 4.48Å; I403-F679 HydrophobicContact CG2-CZ 4.27Å; I403-S701 WeakPolarHBondContact CG1-O 3.42Å
404	V	97.2	Very high	84.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	125.3	166.1	175.2	0	0	0	0	108.1	Y393 S402 I407 I418 S681 A682 A699 I705	Y393-V404 HydrophobicContact CD1-CG2 3.71Å; Y393-V404 HydrophobicContact CD2-CG2 4.01Å; Y393-V404 HydrophobicContact CE1-CG2 4.33Å; Y393-V404 HydrophobicContact CG-CG2 3.52Å; S402-V404 PolarHBondContact O-N 2.94Å; S402-V404 VanDerWaalsContact O-N 3.15Å; V404-I407 HydrophobicContact CG1-CD1 4.26Å; V404-I407 HydrophobicContact CG1-CG1 3.78Å; V404-I418 HydrophobicContact CB-CG2 4.31Å; V404-I418 HydrophobicContact CG1-CG2 3.54Å; V404-I418 HydrophobicContact CG2-CG2 3.75Å; V404-S681 VanDerWaalsContact O-CB 3.23Å; V404-S681 WeakPolarHBondContact O-CB 3.5Å; V404-S681 PolarHBondContact O-OG 3.41Å; V404-A682 HydrophobicContact CG1-CB 3.74Å; V404-A699 HydrophobicContact CB-CB 3.85Å; V404-A699 HydrophobicContact CG1-CB 4.02Å; V404-A699 HydrophobicContact CG2-CB 3.95Å; V404-I705 HydrophobicContact CG2-CG1 4.38Å
405	S	97.8	Very high	85.6	Confident	23 Å²	23	55.7 Å²	55.7	16%	0.161	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-25.4	179.2	71.8	0	0	0	0	112.9	A419 I453 S454	S405-A419 PolarHBondContact N-O 3.35Å; S405-A419 PolarHBondContact OG-O 2.86Å; S405-I453 PolarHBondContact OG-O 3.44Å; S405-I453 VanDerWaalsContact OG-O 3.13Å; S405-S454 WeakPolarHBondContact CB-O 3.49Å; S405-S454 VanDerWaalsContact OG-C 3.27Å; S405-S454 PolarHBondContact OG-O 2.92Å
406	S	98.4	Very high	87.2	Confident	8 Å²	8	52.9 Å²	52.9	6%	0.056	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	137.8	-172	-172.5	0	0	0	0	111	A419 I456	S406-A419 PolarHBondContact N-O 3.07Å; S406-A419 PolarHBondContact O-N 3.13Å; S406-I456 VanDerWaalsContact OG-CG1 3.26Å; S406-I456 WeakPolarHBondContact OG-CG1 3.3Å; S406-I456 PolarHBondContact OG-N 2.9Å; S406-I456 VanDerWaalsContact OG-N 3.11Å
407	I	98.5	Very high	89	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.2	171.6	-55.4	167.2	0	0	0	104.6	V404 A417 I418 A682 C684 I697 A699	V404-I407 HydrophobicContact CG1-CD1 4.26Å; V404-I407 HydrophobicContact CG1-CG1 3.78Å; I407-A417 WeakPolarHBondContact CA-O 3.35Å; I407-I418 HydrophobicContact CG1-CG1 4.24Å; I407-I418 HydrophobicContact CG1-CG2 4.41Å; I407-I418 HydrophobicContact CG2-CG1 4.32Å; I407-A682 HydrophobicContact CD1-CB 3.96Å; I407-A682 HydrophobicContact CG1-CB 3.88Å; I407-C684 HydrophobicContact CB-CB 4.18Å; I407-C684 HydrophobicContact CG2-CB 4.1Å; I407-C684 VanDerWaalsContact O-CB 3.3Å; I407-C684 WeakPolarHBondContact O-CB 3.44Å; I407-I697 HydrophobicContact CD1-CG2 4Å; I407-I697 HydrophobicContact CG2-CB 4.34Å; I407-I697 HydrophobicContact CG2-CG2 4.34Å; I407-A699 HydrophobicContact CD1-CB 3.79Å
408	E	98.3	Very high	91	Very high	41 Å²	41	40.8 Å²	40.8	19%	0.192	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	143.4	168.6	-62.3	-67	-178.8	0	0	109.3	A417 I456 W458 K586 C684	E408-A417 PolarHBondContact N-O 3.42Å; E408-A417 PolarHBondContact O-N 2.65Å; E408-I456 WeakPolarHBondContact CG-O 3.36Å; E408-W458 PolarHBondContact O-NE1 2.97Å; E408-W458 VanDerWaalsContact O-NE1 3.12Å; E408-K586 IonicContact OE1-NZ 3.78Å; E408-K586 PolarHBondContact OE1-NZ 2.89Å; E408-C684 PolarHBondContact OE2-SG 3.42Å
409	F	97.6	Very high	93	Very high	18 Å²	18	30.1 Å²	30.1	8%	0.079	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	153.4	173.1	-82.5	-88.4	0	0	0	111.7	C413 Y415 F416 Y430 R686 I697	F409-C413 HydrophobicContact CD1-CB 4.13Å; F409-Y415 WeakPolarHBondContact CA-O 3.4Å; F409-Y415 WeakPolarHBondContact CD1-O 3.44Å; F409-F416 HydrophobicContact CD1-CB 3.89Å; F409-F416 HydrophobicContact CE1-CB 3.97Å; F409-F416 HydrophobicContact CE1-CD1 4.08Å; F409-F416 HydrophobicContact CE1-CG 4.45Å; F409-F416 HydrophobicContact CG-CB 4.2Å; F409-F416 HydrophobicContact CZ-CB 4.35Å; F409-F416 HydrophobicContact CZ-CD1 4.41Å; F409-Y430 AromaticContact CE1-CD2 3.71Å; F409-Y430 HydrophobicContact CE1-CD2 3.71Å; F409-Y430 HydrophobicContact CE1-CE2 4.47Å; F409-Y430 HydrophobicContact CE1-CG 4.19Å; F409-Y430 AromaticContact CZ-CD2 3.86Å; F409-Y430 HydrophobicContact CZ-CD2 3.86Å; F409-Y430 HydrophobicContact CZ-CE2 4.26Å; F409-R686 HydrophobicContact CD1-CG 4.11Å; F409-R686 HydrophobicContact CD2-CB 4.2Å; F409-R686 HydrophobicContact CD2-CG 4.45Å; F409-R686 HydrophobicContact CE1-CB 4.13Å; F409-R686 HydrophobicContact CE1-CG 3.66Å; F409-R686 HydrophobicContact CE2-CB 3.59Å; F409-R686 HydrophobicContact CE2-CG 4.04Å; F409-R686 HydrophobicContact CG-CG 4.48Å; F409-R686 HydrophobicContact CZ-CB 3.54Å; F409-R686 HydrophobicContact CZ-CG 3.62Å; F409-I697 HydrophobicContact CE1-CD1 4.31Å; F409-I697 HydrophobicContact CE2-CD1 3.82Å; F409-I697 HydrophobicContact CE2-CG1 3.93Å; F409-I697 HydrophobicContact CZ-CD1 3.45Å; F409-I697 VanDerWaalsContact CZ-CD1 3.45Å; F409-I697 HydrophobicContact CZ-CG1 3.86Å
410	D	97.2	Very high	94.8	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.027	16%	0.157	C	C	.	.			trans	-66.6	171.3	165.6	95	-77.6	0	0	0	111.4	D412 C413 D414 Y415 W458 K463	D410-D412 PolarHBondContact O-N 3.48Å; D410-D412 PolarHBondContact OD2-N 3.01Å; D410-C413 PolarHBondContact O-N 2.84Å; D410-C413 WeakPolarHBondContact OD1-CA 3.42Å; D410-C413 PolarHBondContact OD1-N 3.5Å; D410-C413 VanDerWaalsContact OD1-N 3.11Å; D410-D414 PolarHBondContact OD1-N 3.21Å; D410-Y415 PolarHBondContact N-O 3.4Å; D410-Y415 PolarHBondContact OD1-N 2.85Å; D410-W458 HydrophobicContact CB-CD2 4Å; D410-W458 HydrophobicContact CB-CE3 4.24Å; D410-W458 HydrophobicContact CB-CG 4.33Å; D410-W458 HydrophobicContact CB-CZ2 4.42Å; D410-K463 VanDerWaalsContact OD2-CE 3.27Å; D410-K463 WeakPolarHBondContact OD2-CE 3.3Å; D410-K463 WeakPolarHBondContact OD2-CG 3.34Å
411	R	93.4	Very high	96.1	Very high	111 Å²	111	23.2 Å²	23.2	42%	0.419	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.9	-179	-173.3	-163.4	70.4	-164.3	-1.8	113.3	S460 Y461	R411-S460 WeakPolarHBondContact CD-O 3.34Å; R411-S460 WeakPolarHBondContact CG-O 3.4Å; R411-Y461 PolarHBondContact NH1-O 3.28Å
412	D	93.8	Very high	96.5	Very high	50 Å²	50	22 Å²	22	27%	0.267	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-8.2	-173.5	-59.5	-20	0	0	0	112.4	D410 D414 K463	D410-D412 PolarHBondContact O-N 3.48Å; D410-D412 PolarHBondContact OD2-N 3.01Å; D412-D414 VanDerWaalsContact C-N 3.26Å; D412-D414 PolarHBondContact O-N 2.93Å; D412-K463 WeakPolarHBondContact OD2-CD 3.36Å; D412-K463 VanDerWaalsContact OD2-CE 3.3Å; D412-K463 WeakPolarHBondContact OD2-CE 3.28Å; D412-K463 IonicContact OD2-NZ 2.62Å; D412-K463 PolarHBondContact OD2-NZ 3.01Å
413	C	95	Very high	96.6	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.034	12%	0.122	C	C	.	.	S	Bend	trans	62.7	25.2	-173.1	-70.1	0	0	0	0	114.7	F409 D410 R686 L688	F409-C413 HydrophobicContact CD1-CB 4.13Å; D410-C413 PolarHBondContact O-N 2.84Å; D410-C413 WeakPolarHBondContact OD1-CA 3.42Å; D410-C413 PolarHBondContact OD1-N 3.5Å; D410-C413 VanDerWaalsContact OD1-N 3.11Å; C413-R686 HydrophobicContact CB-CG 3.72Å; C413-R686 VanDerWaalsContact O-CZ 3.28Å; C413-R686 PolarHBondContact O-NE 3.44Å; C413-R686 PolarHBondContact O-NH2 2.95Å; C413-L688 HydrophobicContact CB-CD2 4.01Å
414	D	95	Very high	96.7	Very high	58 Å²	58	25.3 Å²	25.3	31%	0.31	12%	0.12	S	C	.	.	S	Bend	trans	-84.4	-32.3	173.3	-62.7	-25.3	0	0	0	111.1	D410 D412 Y430 K463	D410-D414 PolarHBondContact OD1-N 3.21Å; D412-D414 VanDerWaalsContact C-N 3.26Å; D412-D414 PolarHBondContact O-N 2.93Å; D414-Y430 WeakPolarHBondContact O-CB 3.48Å; D414-Y430 PolarHBondContact O-N 2.81Å; D414-K463 IonicContact OD2-NZ 2.83Å; D414-K463 PolarHBondContact OD2-NZ 3.02Å
415	Y	97.5	Very high	96.7	Very high	42 Å²	42	25.3 Å²	25.3	17%	0.165	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.1	179.8	-60.9	-88.2	0	0	0	111.3	F409 D410 V427 Y428 E429 E444 F481	F409-Y415 WeakPolarHBondContact CA-O 3.4Å; F409-Y415 WeakPolarHBondContact CD1-O 3.44Å; D410-Y415 PolarHBondContact N-O 3.4Å; D410-Y415 PolarHBondContact OD1-N 2.85Å; Y415-V427 HydrophobicContact CD1-CG1 4.18Å; Y415-V427 HydrophobicContact CG-CG1 4.47Å; Y415-Y428 CarbonylContact C-O 3.54Å; Y415-Y428 VanDerWaalsContact CA-O 3.23Å; Y415-Y428 WeakPolarHBondContact CA-O 3.27Å; Y415-E429 HydrophobicContact CD1-CB 3.95Å; Y415-E429 HydrophobicContact CD1-CG 4.41Å; Y415-E429 HydrophobicContact CE1-CB 3.7Å; Y415-E429 HydrophobicContact CE1-CG 3.96Å; Y415-E444 HydrophobicContact CE1-CG 4.35Å; Y415-F481 AromaticContact CD1-CE1 3.9Å; Y415-F481 HydrophobicContact CD1-CE1 3.9Å; Y415-F481 AromaticContact CD2-CE1 3.79Å; Y415-F481 HydrophobicContact CD2-CE1 3.79Å; Y415-F481 AromaticContact CD2-CZ 3.68Å; Y415-F481 HydrophobicContact CD2-CZ 3.68Å; Y415-F481 AromaticContact CE1-CE1 3.97Å; Y415-F481 HydrophobicContact CE1-CE1 3.97Å; Y415-F481 AromaticContact CE2-CE1 3.83Å; Y415-F481 HydrophobicContact CE2-CE1 3.83Å; Y415-F481 AromaticContact CE2-CZ 3.91Å; Y415-F481 HydrophobicContact CE2-CZ 3.91Å; Y415-F481 AromaticContact CG-CE1 3.84Å; Y415-F481 HydrophobicContact CG-CE1 3.84Å; Y415-F481 HydrophobicContact CG-CZ 4.05Å; Y415-F481 AromaticContact CZ-CE1 3.95Å
416	F	98	Very high	96.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.1	166	61.4	-91.2	0	0	0	110.8	L391 F409 I418 Y428 Y430 V433 I697	L391-F416 HydrophobicContact CD2-CE2 4.47Å; L391-F416 HydrophobicContact CD2-CZ 4.1Å; F409-F416 HydrophobicContact CD1-CB 3.89Å; F409-F416 HydrophobicContact CE1-CB 3.97Å; F409-F416 HydrophobicContact CE1-CD1 4.08Å; F409-F416 HydrophobicContact CE1-CG 4.45Å; F409-F416 HydrophobicContact CG-CB 4.2Å; F409-F416 HydrophobicContact CZ-CB 4.35Å; F409-F416 HydrophobicContact CZ-CD1 4.41Å; F416-I418 HydrophobicContact CD2-CD1 3.9Å; F416-I418 HydrophobicContact CD2-CG1 3.82Å; F416-I418 HydrophobicContact CE2-CD1 3.63Å; F416-I418 HydrophobicContact CE2-CG1 4.04Å; F416-Y428 HydrophobicContact CD2-CD2 4.38Å; F416-Y428 AromaticContact CE2-CD2 3.75Å; F416-Y428 HydrophobicContact CE2-CD2 3.75Å; F416-Y428 AromaticContact CE2-CG 3.91Å; F416-Y428 HydrophobicContact CE2-CG 3.91Å; F416-Y428 VanDerWaalsContact CZ-CB 3.48Å; F416-Y428 HydrophobicContact CZ-CD2 4.33Å; F416-Y428 HydrophobicContact CZ-CG 4.02Å; F416-Y428 PolarHBondContact N-O 3.1Å; F416-Y428 PolarHBondContact O-N 3.36Å; F416-Y430 HydrophobicContact CD1-CD2 4.36Å; F416-Y430 HydrophobicContact CE1-CD2 4.41Å; F416-V433 HydrophobicContact CE1-CB 4.32Å; F416-V433 HydrophobicContact CE1-CG1 4.28Å; F416-V433 HydrophobicContact CE1-CG2 4.3Å; F416-V433 HydrophobicContact CZ-CB 4.39Å; F416-V433 HydrophobicContact CZ-CG1 4.09Å; F416-V433 HydrophobicContact CZ-CG2 4.08Å; F416-I697 HydrophobicContact CB-CD1 4.18Å; F416-I697 HydrophobicContact CD1-CD1 3.52Å; F416-I697 HydrophobicContact CD2-CD1 3.85Å; F416-I697 HydrophobicContact CE1-CD1 3.74Å; F416-I697 HydrophobicContact CE2-CD1 4.07Å; F416-I697 HydrophobicContact CG-CD1 3.58Å; F416-I697 HydrophobicContact CZ-CD1 4.01Å
417	A	98.5	Very high	96.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	145	173.7	0	0	0	0	0	110.2	I407 E408 I425 K426 V427 I456 W458 L466	I407-A417 WeakPolarHBondContact CA-O 3.35Å; E408-A417 PolarHBondContact N-O 3.42Å; E408-A417 PolarHBondContact O-N 2.65Å; A417-I425 HydrophobicContact CB-CG2 4.25Å; A417-K426 CarbonylContact C-O 3.56Å; A417-K426 WeakPolarHBondContact CA-O 3.46Å; A417-V427 HydrophobicContact CB-CG2 4.3Å; A417-I456 HydrophobicContact CB-CD1 3.56Å; A417-I456 WeakPolarHBondContact O-CD1 2.97Å; A417-W458 HydrophobicContact CB-CZ2 3.79Å; A417-L466 HydrophobicContact CB-CD2 3.96Å
418	I	98.3	Very high	96.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.9	177.5	-56.2	-167.7	0	0	0	109.3	Y393 V404 I407 F416 I425 K426 Y428 I705	Y393-I418 HydrophobicContact CD2-CB 4.28Å; Y393-I418 HydrophobicContact CD2-CG2 3.47Å; Y393-I418 VanDerWaalsContact CD2-CG2 3.47Å; Y393-I418 HydrophobicContact CE2-CB 4.24Å; Y393-I418 HydrophobicContact CE2-CG2 3.61Å; Y393-I418 HydrophobicContact CG-CG2 4.33Å; V404-I418 HydrophobicContact CB-CG2 4.31Å; V404-I418 HydrophobicContact CG1-CG2 3.54Å; V404-I418 HydrophobicContact CG2-CG2 3.75Å; I407-I418 HydrophobicContact CG1-CG1 4.24Å; I407-I418 HydrophobicContact CG1-CG2 4.41Å; I407-I418 HydrophobicContact CG2-CG1 4.32Å; F416-I418 HydrophobicContact CD2-CD1 3.9Å; F416-I418 HydrophobicContact CD2-CG1 3.82Å; F416-I418 HydrophobicContact CE2-CD1 3.63Å; F416-I418 HydrophobicContact CE2-CG1 4.04Å; I418-I425 WeakPolarHBondContact O-CA 3.14Å; I418-K426 PolarHBondContact N-O 2.99Å; I418-K426 PolarHBondContact O-N 3.18Å; I418-Y428 HydrophobicContact CD1-CD2 4.46Å; I418-Y428 HydrophobicContact CD1-CE2 4.44Å; I418-I705 HydrophobicContact CD1-CD1 3.48Å; I418-I705 VanDerWaalsContact CD1-CD1 3.48Å; I418-I705 HydrophobicContact CD1-CG1 3.91Å; I418-I705 HydrophobicContact CD1-CG2 3.92Å; I418-I705 HydrophobicContact CG2-CD1 4.46Å
419	A	98.2	Very high	96.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	160.2	-179	0	0	0	0	0	112.5	S405 S406 I425 I453 I456	S405-A419 PolarHBondContact N-O 3.35Å; S405-A419 PolarHBondContact OG-O 2.86Å; S406-A419 PolarHBondContact N-O 3.07Å; S406-A419 PolarHBondContact O-N 3.13Å; A419-I425 HydrophobicContact CB-CG1 4.3Å; A419-I453 HydrophobicContact CB-CB 4.12Å; A419-I453 HydrophobicContact CB-CD1 4.09Å; A419-I453 HydrophobicContact CB-CG2 3.82Å; A419-I456 HydrophobicContact CB-CD1 4.14Å; A419-I456 HydrophobicContact CB-CG1 4.2Å; A419-I456 HydrophobicContact CB-CG2 3.7Å
420	G	96.7	Very high	96.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.6	-149.4	178.7	0	0	0	0	0	115.5	Y393 T422 K423 I453	Y393-G420 PolarHBondContact OH-N 3.27Å; G420-T422 VanDerWaalsContact C-N 3.26Å; G420-T422 PolarHBondContact O-N 3.24Å; G420-K423 PolarHBondContact O-N 3.28Å; G420-I453 PolarHBondContact O-N 3.35Å
421	V	95.6	Very high	96.2	Very high	17 Å²	17	28.3 Å²	28.3	10%	0.103	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.1	-165.4	-56.7	0	0	0	0	115.4	S401 I403 K423 K452	S401-V421 WeakPolarHBondContact O-CG2 3.11Å; I403-V421 HydrophobicContact CB-CG1 4.02Å; I403-V421 HydrophobicContact CB-CG2 3.94Å; I403-V421 HydrophobicContact CG1-CG2 4.49Å; I403-V421 PolarHBondContact O-N 3.36Å; V421-K423 PolarHBondContact O-N 2.63Å; V421-K452 HydrophobicContact CB-CD 3.99Å; V421-K452 HydrophobicContact CB-CG 4.44Å; V421-K452 HydrophobicContact CG1-CD 4.23Å
422	T	94.1	Very high	96.2	Very high	21 Å²	21	25.9 Å²	25.9	13%	0.129	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-3.4	175	58.9	0	0	0	0	113.5	Y393 G420 K424	Y393-T422 HydrophobicContact CD1-CG2 4.04Å; Y393-T422 HydrophobicContact CE1-CG2 3.66Å; Y393-T422 WeakPolarHBondContact CE1-OG1 3.14Å; Y393-T422 PolarHBondContact OH-OG1 2.85Å; G420-T422 VanDerWaalsContact C-N 3.26Å; G420-T422 PolarHBondContact O-N 3.24Å; T422-K424 PolarHBondContact O-N 2.9Å
423	K	95.8	Very high	96.2	Very high	91 Å²	91	23.6 Å²	23.6	40%	0.396	12%	0.118	S	C	.	.	S	Bend	trans	65.9	9.6	-175.4	-41.5	-174.1	174.5	-172.1	0	115.7	G420 V421 C449 N450 S451	G420-K423 PolarHBondContact O-N 3.28Å; V421-K423 PolarHBondContact O-N 2.63Å; K423-C449 WeakPolarHBondContact CB-O 3.4Å; K423-C449 WeakPolarHBondContact O-CB 3.32Å; K423-C449 PolarHBondContact O-N 2.92Å; K423-N450 WeakPolarHBondContact CD-O 3.49Å; K423-N450 WeakPolarHBondContact CE-O 3.42Å; K423-N450 PolarHBondContact NZ-O 3.41Å; K423-S451 WeakPolarHBondContact CB-O 3.33Å; K423-S451 WeakPolarHBondContact CG-O 3.44Å
424	K	95.8	Very high	96	Very high	39 Å²	39	26.2 Å²	26.2	17%	0.17	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	153.6	176.6	-67.8	170.4	160.7	-151.2	0	110.7	Y393 S395 T422 E446 M447 I453	Y393-K424 PolarHBondContact OH-O 3.42Å; S395-K424 PolarHBondContact OG-NZ 3.19Å; T422-K424 PolarHBondContact O-N 2.9Å; K424-E446 HydrophobicContact CB-CG 4.3Å; K424-E446 HydrophobicContact CD-CG 4.29Å; K424-E446 WeakPolarHBondContact CD-OE2 3.47Å; K424-E446 WeakPolarHBondContact CE-OE1 3.47Å; K424-E446 HydrophobicContact CG-CG 4.32Å; K424-E446 IonicContact NZ-OE1 3.22Å; K424-E446 PolarHBondContact NZ-OE1 3.32Å; K424-E446 IonicContact NZ-OE2 2.71Å; K424-E446 PolarHBondContact NZ-OE2 2.91Å; K424-M447 CarbonylContact C-O 3.59Å; K424-M447 WeakPolarHBondContact CA-O 3.49Å; K424-I453 VanDerWaalsContact O-CD1 3.31Å; K424-I453 WeakPolarHBondContact O-CD1 3.2Å
425	I	98.1	Very high	95.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.2	159.2	-51.3	173.4	0	0	0	105.8	A417 I418 A419 E446 M447 I453 I456 L466 W478	A417-I425 HydrophobicContact CB-CG2 4.25Å; I418-I425 WeakPolarHBondContact O-CA 3.14Å; A419-I425 HydrophobicContact CB-CG1 4.3Å; I425-E446 CarbonylContact O-C 3.55Å; I425-E446 WeakPolarHBondContact O-CA 3.43Å; I425-M447 HydrophobicContact CB-CB 4.26Å; I425-M447 HydrophobicContact CB-CE 4.2Å; I425-M447 HydrophobicContact CG2-CE 4.01Å; I425-M447 PolarHBondContact N-O 2.99Å; I425-M447 PolarHBondContact O-N 3.06Å; I425-I453 HydrophobicContact CD1-CD1 4.06Å; I425-I453 HydrophobicContact CG1-CD1 3.3Å; I425-I456 HydrophobicContact CD1-CG2 4.29Å; I425-L466 HydrophobicContact CG2-CD2 3.93Å; I425-W478 HydrophobicContact CD1-CZ2 4.49Å
426	K	97.4	Very high	94.4	Very high	10 Å²	10	32.3 Å²	32.3	4%	0.043	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.8	177.2	-72	179.2	169	-179.3	0	109.2	Y393 A417 I418 Y428 P443 E446	Y393-K426 HydrophobicContact CD2-CD 4.24Å; Y393-K426 HydrophobicContact CE2-CD 4.31Å; Y393-K426 PolarHBondContact O-NZ 3.23Å; A417-K426 CarbonylContact C-O 3.56Å; A417-K426 WeakPolarHBondContact CA-O 3.46Å; I418-K426 PolarHBondContact N-O 2.99Å; I418-K426 PolarHBondContact O-N 3.18Å; K426-Y428 HydrophobicContact CB-CD2 4.26Å; K426-Y428 HydrophobicContact CB-CE2 3.62Å; K426-Y428 HydrophobicContact CD-CE2 4.23Å; K426-P443 HydrophobicContact CB-CB 4Å; K426-P443 HydrophobicContact CD-CG 4.41Å; K426-P443 HydrophobicContact CG-CB 4.28Å; K426-P443 HydrophobicContact CG-CG 4.25Å; K426-E446 WeakPolarHBondContact CE-OE2 3.45Å; K426-E446 HydrophobicContact CG-CG 4.06Å
427	V	98.2	Very high	92.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.3	174	-177.2	0	0	0	0	108.5	Y415 A417 P443 E444 N445 M447 W458 F481	Y415-V427 HydrophobicContact CD1-CG1 4.18Å; Y415-V427 HydrophobicContact CG-CG1 4.47Å; A417-V427 HydrophobicContact CB-CG2 4.3Å; V427-P443 CarbonylContact O-C 3.55Å; V427-P443 VanDerWaalsContact O-CA 3.26Å; V427-P443 WeakPolarHBondContact O-CA 3.45Å; V427-P443 VanDerWaalsContact O-CB 3.25Å; V427-P443 WeakPolarHBondContact O-CB 3.28Å; V427-E444 PolarHBondContact O-N 2.91Å; V427-N445 HydrophobicContact CB-CB 4.46Å; V427-N445 PolarHBondContact N-O 2.91Å; V427-M447 HydrophobicContact CG2-CE 3.69Å; V427-W458 HydrophobicContact CG1-CH2 4.31Å; V427-W458 HydrophobicContact CG1-CZ2 4.2Å; V427-W458 HydrophobicContact CG2-CH2 4.38Å; V427-W458 HydrophobicContact CG2-CZ2 4.27Å; V427-F481 HydrophobicContact CG1-CE1 4.38Å
428	Y	97.1	Very high	91.2	Very high	4 Å²	4	41 Å²	41	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141	179.4	-70.2	-88.4	0	0	0	109.9	L391 Y415 F416 I418 K426 V433 H441 P443	L391-Y428 HydrophobicContact CD2-CD1 3.98Å; L391-Y428 HydrophobicContact CD2-CE1 3.92Å; L391-Y428 HydrophobicContact CD2-CG 4.32Å; Y415-Y428 CarbonylContact C-O 3.54Å; Y415-Y428 VanDerWaalsContact CA-O 3.23Å; Y415-Y428 WeakPolarHBondContact CA-O 3.27Å; F416-Y428 HydrophobicContact CD2-CD2 4.38Å; F416-Y428 AromaticContact CE2-CD2 3.75Å; F416-Y428 HydrophobicContact CE2-CD2 3.75Å; F416-Y428 AromaticContact CE2-CG 3.91Å; F416-Y428 HydrophobicContact CE2-CG 3.91Å; F416-Y428 VanDerWaalsContact CZ-CB 3.48Å; F416-Y428 HydrophobicContact CZ-CD2 4.33Å; F416-Y428 HydrophobicContact CZ-CG 4.02Å; F416-Y428 PolarHBondContact N-O 3.1Å; F416-Y428 PolarHBondContact O-N 3.36Å; I418-Y428 HydrophobicContact CD1-CD2 4.46Å; I418-Y428 HydrophobicContact CD1-CE2 4.44Å; K426-Y428 HydrophobicContact CB-CD2 4.26Å; K426-Y428 HydrophobicContact CB-CE2 3.62Å; K426-Y428 HydrophobicContact CD-CE2 4.23Å; Y428-V433 HydrophobicContact CD1-CG2 4.12Å; Y428-H441 HydrophobicContact CE1-CB 4.17Å; Y428-P443 HydrophobicContact CD1-CB 4.28Å; Y428-P443 HydrophobicContact CE1-CB 3.97Å; Y428-P443 HydrophobicContact CE2-CB 4.23Å
429	E	96.4	Very high	89.5	Confident	71 Å²	71	49 Å²	49	33%	0.332	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.2	167	-172.2	174.8	-123.1	0	0	109.7	Y415 T432 V433	Y415-E429 HydrophobicContact CD1-CB 3.95Å; Y415-E429 HydrophobicContact CD1-CG 4.41Å; Y415-E429 HydrophobicContact CE1-CB 3.7Å; Y415-E429 HydrophobicContact CE1-CG 3.96Å; E429-T432 WeakPolarHBondContact OE2-CB 3.43Å; E429-T432 PolarHBondContact OE2-OG1 3.31Å; E429-V433 WeakPolarHBondContact O-CB 3.35Å; E429-V433 VanDerWaalsContact O-CG2 3.26Å; E429-V433 WeakPolarHBondContact O-CG2 3.35Å; E429-V433 PolarHBondContact O-N 2.66Å
430	Y	95	Very high	88.2	Confident	7 Å²	7	54.2 Å²	54.2	3%	0.027	30%	0.296	C	S	.	.	H	α-helix	trans	-69.5	-46.4	-173.4	172.7	-90.5	0	0	0	112.5	F409 D414 F416 V433 I434 R686 V695 V707	F409-Y430 AromaticContact CE1-CD2 3.71Å; F409-Y430 HydrophobicContact CE1-CD2 3.71Å; F409-Y430 HydrophobicContact CE1-CE2 4.47Å; F409-Y430 HydrophobicContact CE1-CG 4.19Å; F409-Y430 AromaticContact CZ-CD2 3.86Å; F409-Y430 HydrophobicContact CZ-CD2 3.86Å; F409-Y430 HydrophobicContact CZ-CE2 4.26Å; D414-Y430 WeakPolarHBondContact O-CB 3.48Å; D414-Y430 PolarHBondContact O-N 2.81Å; F416-Y430 HydrophobicContact CD1-CD2 4.36Å; F416-Y430 HydrophobicContact CE1-CD2 4.41Å; Y430-V433 PolarHBondContact O-N 3.38Å; Y430-I434 HydrophobicContact CD1-CD1 4.42Å; Y430-I434 HydrophobicContact CE1-CD1 3.6Å; Y430-I434 HydrophobicContact CE1-CG1 4.13Å; Y430-I434 HydrophobicContact CE1-CG2 4.33Å; Y430-I434 HydrophobicContact CE2-CG2 4.11Å; Y430-I434 PolarHBondContact O-N 3.31Å; Y430-R686 VanDerWaalsContact CE1-CZ 3.41Å; Y430-R686 VanDerWaalsContact CE1-NH1 3.3Å; Y430-V695 HydrophobicContact CE2-CG1 4.27Å; Y430-V707 HydrophobicContact CE2-CG1 3.95Å
431	D	92.9	Very high	87.6	Confident	69 Å²	69	55.4 Å²	55.4	37%	0.369	30%	0.301	S	S	.	.	H	α-helix	trans	-69.7	-40.8	-173.5	-76.6	-25.6	0	0	0	111.9	V433 I434 Q435	D431-V433 VanDerWaalsContact C-N 3.32Å; D431-V433 PolarHBondContact O-N 2.98Å; D431-I434 WeakPolarHBondContact O-CG1 3.49Å; D431-I434 PolarHBondContact O-N 2.73Å; D431-Q435 WeakPolarHBondContact O-CB 3.46Å; D431-Q435 VanDerWaalsContact O-CG 3.27Å; D431-Q435 WeakPolarHBondContact O-CG 3.24Å; D431-Q435 PolarHBondContact O-N 2.76Å; D431-Q435 PolarHBondContact O-NE2 2.62Å
432	T	92.6	Very high	87.3	Confident	59 Å²	59	63.6 Å²	63.6	36%	0.362	33%	0.331	S	S	.	.	H	α-helix	trans	-58.9	-41.7	171.4	-68	0	0	0	0	111.7	E429 I434 Q435 D436	E429-T432 WeakPolarHBondContact OE2-CB 3.43Å; E429-T432 PolarHBondContact OE2-OG1 3.31Å; T432-I434 VanDerWaalsContact C-N 3.33Å; T432-I434 PolarHBondContact O-N 2.81Å; T432-Q435 PolarHBondContact O-N 3.3Å; T432-D436 WeakPolarHBondContact O-CB 3.23Å; T432-D436 PolarHBondContact O-N 2.82Å; T432-D436 VanDerWaalsContact O-N 3.09Å
433	V	93.2	Very high	87.3	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-64.7	-30.3	177.3	162.8	0	0	0	0	113.8	A389 L391 F416 Y428 E429 Y430 D431 H441 V707	A389-V433 HydrophobicContact CB-CG1 3.84Å; A389-V433 WeakPolarHBondContact CB-O 3.42Å; L391-V433 HydrophobicContact CD1-CG1 3.94Å; L391-V433 HydrophobicContact CD2-CG1 3.91Å; L391-V433 HydrophobicContact CD2-CG2 3.88Å; L391-V433 HydrophobicContact CG-CG1 4.21Å; F416-V433 HydrophobicContact CE1-CB 4.32Å; F416-V433 HydrophobicContact CE1-CG1 4.28Å; F416-V433 HydrophobicContact CE1-CG2 4.3Å; F416-V433 HydrophobicContact CZ-CB 4.39Å; F416-V433 HydrophobicContact CZ-CG1 4.09Å; F416-V433 HydrophobicContact CZ-CG2 4.08Å; Y428-V433 HydrophobicContact CD1-CG2 4.12Å; E429-V433 WeakPolarHBondContact O-CB 3.35Å; E429-V433 VanDerWaalsContact O-CG2 3.26Å; E429-V433 WeakPolarHBondContact O-CG2 3.35Å; E429-V433 PolarHBondContact O-N 2.66Å; Y430-V433 PolarHBondContact O-N 3.38Å; D431-V433 VanDerWaalsContact C-N 3.32Å; D431-V433 PolarHBondContact O-N 2.98Å; V433-H441 HydrophobicContact CG2-CB 4.48Å; V433-H441 PolarHBondContact O-CE1 2.79Å; V433-V707 HydrophobicContact CG1-CG2 4.08Å
434	I	90.8	Very high	87.3	Confident	60 Å²	60	66.1 Å²	66.1	31%	0.308	35%	0.346	S	S	.	.	H	α-helix	trans	-94	-13.1	178.3	63.4	159.6	0	0	0	114.4	L388 Y430 D431 T432 V707	L388-I434 HydrophobicContact CB-CG2 4.2Å; L388-I434 HydrophobicContact CD1-CG2 4.38Å; Y430-I434 HydrophobicContact CD1-CD1 4.42Å; Y430-I434 HydrophobicContact CE1-CD1 3.6Å; Y430-I434 HydrophobicContact CE1-CG1 4.13Å; Y430-I434 HydrophobicContact CE1-CG2 4.33Å; Y430-I434 HydrophobicContact CE2-CG2 4.11Å; Y430-I434 PolarHBondContact O-N 3.31Å; D431-I434 WeakPolarHBondContact O-CG1 3.49Å; D431-I434 PolarHBondContact O-N 2.73Å; T432-I434 VanDerWaalsContact C-N 3.33Å; T432-I434 PolarHBondContact O-N 2.81Å; I434-V707 HydrophobicContact CG2-CG1 4.11Å
435	Q	85.8	Confident	87.3	Confident	146 Å²	146	65.7 Å²	65.7	68%	0.682	35%	0.346	S	S	*	.	H	α-helix	trans	-90.8	-40.6	176.8	-72.7	175.6	54.2	0	0	112.3	D431 T432 A437	D431-Q435 WeakPolarHBondContact O-CB 3.46Å; D431-Q435 VanDerWaalsContact O-CG 3.27Å; D431-Q435 WeakPolarHBondContact O-CG 3.24Å; D431-Q435 PolarHBondContact O-N 2.76Å; D431-Q435 PolarHBondContact O-NE2 2.62Å; T432-Q435 PolarHBondContact O-N 3.3Å; Q435-A437 PolarHBondContact O-N 3.09Å
436	D	73.4	Confident	87.2	Confident	82 Å²	82	69.1 Å²	69.1	44%	0.439	36%	0.362	S	S	.	.			trans	-74.3	107.8	-176.7	-76.9	-19.2	0	0	0	112	T432 V438 H441	T432-D436 WeakPolarHBondContact O-CB 3.23Å; T432-D436 PolarHBondContact O-N 2.82Å; T432-D436 VanDerWaalsContact O-N 3.09Å; D436-V438 HydrophobicContact CB-CG1 4.22Å; D436-V438 HydrophobicContact CB-CG2 3.8Å; D436-V438 PolarHBondContact O-N 2.89Å; D436-H441 PolarHBondContact O-CE1 2.71Å
437	A	61.7	Low	87.2	Confident	113 Å²	113	68.9 Å²	68.9	93%	0.934	36%	0.361	S	S	*	.			trans	-76	52.3	171.3	0	0	0	0	0	112.2	Q435	Q435-A437 PolarHBondContact O-N 3.09Å
438	V	67.8	Low	87.1	Confident	68 Å²	68	72.9 Å²	72.9	41%	0.412	39%	0.385	S	S	.	.			trans	-118.5	144.1	-174.6	-55.7	0	0	0	0	111.7	D436 I440	D436-V438 HydrophobicContact CB-CG1 4.22Å; D436-V438 HydrophobicContact CB-CG2 3.8Å; D436-V438 PolarHBondContact O-N 2.89Å; V438-I440 PolarHBondContact O-N 2.87Å
439	D	62.8	Low	87	Confident	170 Å²	170	72.9 Å²	72.9	91%	0.909	39%	0.386	S	S	*	.	S	Bend	trans	-71.5	-7.6	177.3	-63.8	-52.9	0	0	0	113.8
440	I	71.9	Confident	87	Confident	109 Å²	109	74.3 Å²	74.3	56%	0.559	40%	0.396	S	S	*	.			trans	-136.6	95.1	-170.2	-50.6	178.7	0	0	0	110.9	V438 Y442	V438-I440 PolarHBondContact O-N 2.87Å; I440-Y442 HydrophobicContact CG2-CD2 4.43Å; I440-Y442 HydrophobicContact CG2-CE1 4.46Å; I440-Y442 HydrophobicContact CG2-CE2 3.79Å
441	H	84.3	Confident	87.1	Confident	25 Å²	25	74.7 Å²	74.7	12%	0.116	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-87.9	125.2	170.5	-56.9	-83	0	0	0	111.2	L391 Y428 V433 D436	L391-H441 HydrophobicContact CD2-CB 3.95Å; L391-H441 HydrophobicContact CG-CB 4.4Å; Y428-H441 HydrophobicContact CE1-CB 4.17Å; V433-H441 HydrophobicContact CG2-CB 4.48Å; V433-H441 PolarHBondContact O-CE1 2.79Å; D436-H441 PolarHBondContact O-CE1 2.71Å
442	Y	89	Confident	87.3	Confident	189 Å²	189	75.5 Å²	75.5	74%	0.741	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-87.6	142.9	172.6	-65.5	-88.9	0	0	0	110.6	I440	I440-Y442 HydrophobicContact CG2-CD2 4.43Å; I440-Y442 HydrophobicContact CG2-CE1 4.46Å; I440-Y442 HydrophobicContact CG2-CE2 3.79Å
443	P	93.8	Very high	87.6	Confident	38 Å²	38	72.7 Å²	72.7	25%	0.247	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-76.9	144.7	171.7	32.8	-33.7	0	0	0	110.8	K426 V427 Y428 N445 E446	K426-P443 HydrophobicContact CB-CB 4Å; K426-P443 HydrophobicContact CD-CG 4.41Å; K426-P443 HydrophobicContact CG-CB 4.28Å; K426-P443 HydrophobicContact CG-CG 4.25Å; V427-P443 CarbonylContact O-C 3.55Å; V427-P443 VanDerWaalsContact O-CA 3.26Å; V427-P443 WeakPolarHBondContact O-CA 3.45Å; V427-P443 VanDerWaalsContact O-CB 3.25Å; V427-P443 WeakPolarHBondContact O-CB 3.28Å; Y428-P443 HydrophobicContact CD1-CB 4.28Å; Y428-P443 HydrophobicContact CE1-CB 3.97Å; Y428-P443 HydrophobicContact CE2-CB 4.23Å; P443-N445 VanDerWaalsContact C-N 3.28Å; P443-N445 PolarHBondContact O-N 2.84Å; P443-E446 HydrophobicContact CG-CB 4.47Å
444	E	94.5	Very high	87.8	Confident	126 Å²	126	73 Å²	73	59%	0.589	39%	0.385	S	S	*	.	S	Bend	trans	-63.6	-35.8	172.8	179.2	61.3	-168.2	0	0	111.1	Y415 V427	Y415-E444 HydrophobicContact CE1-CG 4.35Å; V427-E444 PolarHBondContact O-N 2.91Å
445	N	96.5	Very high	88.2	Confident	31 Å²	31	71 Å²	71	17%	0.166	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	146.3	172.7	-171.7	20.8	0	0	0	111.7	V427 P443 G480 F481 G483	V427-N445 HydrophobicContact CB-CB 4.46Å; V427-N445 PolarHBondContact N-O 2.91Å; P443-N445 VanDerWaalsContact C-N 3.28Å; P443-N445 PolarHBondContact O-N 2.84Å; N445-G480 PolarHBondContact ND2-O 2.9Å; N445-F481 PolarHBondContact ND2-O 3.44Å; N445-G483 PolarHBondContact ND2-N 3.05Å
446	E	96.4	Very high	88.8	Confident	71 Å²	71	64.1 Å²	64.1	33%	0.332	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	111.7	174.6	-169.8	-178.3	90.6	0	0	111.2	K424 I425 K426 P443	K424-E446 HydrophobicContact CB-CG 4.3Å; K424-E446 HydrophobicContact CD-CG 4.29Å; K424-E446 WeakPolarHBondContact CD-OE2 3.47Å; K424-E446 WeakPolarHBondContact CE-OE1 3.47Å; K424-E446 HydrophobicContact CG-CG 4.32Å; K424-E446 IonicContact NZ-OE1 3.22Å; K424-E446 PolarHBondContact NZ-OE1 3.32Å; K424-E446 IonicContact NZ-OE2 2.71Å; K424-E446 PolarHBondContact NZ-OE2 2.91Å; I425-E446 CarbonylContact O-C 3.55Å; I425-E446 WeakPolarHBondContact O-CA 3.43Å; K426-E446 WeakPolarHBondContact CE-OE2 3.45Å; K426-E446 HydrophobicContact CG-CG 4.06Å; P443-E446 HydrophobicContact CG-CB 4.47Å
447	M	96.7	Very high	90.1	Very high	6 Å²	6	60.7 Å²	60.7	3%	0.03	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	141.1	177	-66.7	162.6	-84.6	0	0	110.6	K424 I425 V427 L466 W478 G480	K424-M447 CarbonylContact C-O 3.59Å; K424-M447 WeakPolarHBondContact CA-O 3.49Å; I425-M447 HydrophobicContact CB-CB 4.26Å; I425-M447 HydrophobicContact CB-CE 4.2Å; I425-M447 HydrophobicContact CG2-CE 4.01Å; I425-M447 PolarHBondContact N-O 2.99Å; I425-M447 PolarHBondContact O-N 3.06Å; V427-M447 HydrophobicContact CG2-CE 3.69Å; M447-L466 HydrophobicContact CE-CD2 4.14Å; M447-W478 HydrophobicContact CB-CE3 4.1Å; M447-W478 HydrophobicContact CB-CH2 4.21Å; M447-W478 HydrophobicContact CB-CZ3 3.88Å; M447-W478 HydrophobicContact CG-CE3 3.96Å; M447-W478 HydrophobicContact CG-CZ3 4.11Å; M447-W478 HydrophobicContact SD-CB 3.89Å; M447-W478 HydrophobicContact SD-CD2 3.87Å; M447-W478 HydrophobicContact SD-CE3 3.66Å; M447-W478 HydrophobicContact SD-CG 4Å; M447-W478 HydrophobicContact SD-CZ3 4.39Å; M447-G480 WeakPolarHBondContact CE-O 3.45Å
448	T	96.3	Very high	91.8	Very high	83 Å²	83	56.1 Å²	56.1	51%	0.509	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.3	179.9	-64	0	0	0	0	112.5	R485	T448-R485 PolarHBondContact O-NH2 3.09Å
449	C	95.9	Very high	93.2	Very high	4 Å²	4	53 Å²	53	3%	0.027	27%	0.266	C	S	.	.			trans	-102.2	158.7	176.4	-63.1	0	0	0	0	111.9	K423 I453 W478	K423-C449 WeakPolarHBondContact CB-O 3.4Å; K423-C449 WeakPolarHBondContact O-CB 3.32Å; K423-C449 PolarHBondContact O-N 2.92Å; C449-I453 HydrophobicContact CB-CD1 4.07Å; C449-I453 HydrophobicContact CB-CG1 4.12Å; C449-I453 WeakPolarHBondContact SG-CD1 3.27Å; C449-W478 VanDerWaalsContact SG-CZ2 3.53Å
450	N	95.3	Very high	94.8	Very high	102 Å²	102	46.6 Å²	46.6	55%	0.545	24%	0.235	S	C	.	.	S	Bend	trans	-74.3	-31.6	177.7	-67	11.6	0	0	0	112.1	K423	K423-N450 WeakPolarHBondContact CD-O 3.49Å; K423-N450 WeakPolarHBondContact CE-O 3.42Å; K423-N450 PolarHBondContact NZ-O 3.41Å
451	S	97.3	Very high	96	Very high	15 Å²	15	45.6 Å²	45.6	11%	0.105	23%	0.225	C	C	.	.	S	Bend	trans	-123.8	175.8	-175.6	-160.8	0	0	0	0	113	K423 Y471	K423-S451 WeakPolarHBondContact CB-O 3.33Å; K423-S451 WeakPolarHBondContact CG-O 3.44Å; S451-Y471 WeakPolarHBondContact OG-CB 3.3Å
452	K	97.8	Very high	96.5	Very high	85 Å²	85	48.9 Å²	48.9	37%	0.37	24%	0.24	S	C	.	.			trans	-67.7	134.6	174.7	-64.6	-172.1	172	-173.6	0	109.2	V421 D470 Y471	V421-K452 HydrophobicContact CB-CD 3.99Å; V421-K452 HydrophobicContact CB-CG 4.44Å; V421-K452 HydrophobicContact CG1-CD 4.23Å; K452-D470 CarbonylContact O-C 3.58Å; K452-D470 WeakPolarHBondContact O-CA 3.49Å; K452-D470 WeakPolarHBondContact O-CB 3.39Å; K452-Y471 HydrophobicContact CB-CD1 3.96Å; K452-Y471 HydrophobicContact CB-CD2 3.96Å; K452-Y471 HydrophobicContact CB-CE1 4.31Å; K452-Y471 HydrophobicContact CB-CE2 4.34Å; K452-Y471 HydrophobicContact CB-CG 3.77Å; K452-Y471 HydrophobicContact CD-CD2 4.31Å; K452-Y471 HydrophobicContact CD-CE2 4.32Å; K452-Y471 WeakPolarHBondContact O-CB 3.27Å; K452-Y471 WeakPolarHBondContact O-CD1 3.29Å; K452-Y471 PolarHBondContact O-N 3.26Å
453	I	98.6	Very high	96.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	141.7	-178.5	-45.5	-178	0	0	0	108.4	S405 A419 G420 K424 I425 C449 I456 S469	S405-I453 PolarHBondContact OG-O 3.44Å; S405-I453 VanDerWaalsContact OG-O 3.13Å; A419-I453 HydrophobicContact CB-CB 4.12Å; A419-I453 HydrophobicContact CB-CD1 4.09Å; A419-I453 HydrophobicContact CB-CG2 3.82Å; G420-I453 PolarHBondContact O-N 3.35Å; K424-I453 VanDerWaalsContact O-CD1 3.31Å; K424-I453 WeakPolarHBondContact O-CD1 3.2Å; I425-I453 HydrophobicContact CD1-CD1 4.06Å; I425-I453 HydrophobicContact CG1-CD1 3.3Å; C449-I453 HydrophobicContact CB-CD1 4.07Å; C449-I453 HydrophobicContact CB-CG1 4.12Å; C449-I453 WeakPolarHBondContact SG-CD1 3.27Å; I453-I456 HydrophobicContact CG2-CG2 4.3Å; I453-S469 VanDerWaalsContact CG2-O 3.3Å; I453-S469 WeakPolarHBondContact CG2-O 3.36Å
454	S	98.5	Very high	97	Very high	10 Å²	10	43.9 Å²	43.9	7%	0.07	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-47.8	177.5	54.2	0	0	0	0	111.5	S405 S469 C496 W497	S405-S454 WeakPolarHBondContact CB-O 3.49Å; S405-S454 VanDerWaalsContact OG-C 3.27Å; S405-S454 PolarHBondContact OG-O 2.92Å; S454-S469 PolarHBondContact N-O 3.46Å; S454-S469 PolarHBondContact OG-O 2.96Å; S454-S469 PolarHBondContact OG-OG 3.15Å; S454-C496 VanDerWaalsContact CB-O 3.29Å; S454-C496 WeakPolarHBondContact CB-O 3.05Å; S454-C496 PolarHBondContact OG-O 3.5Å; S454-W497 WeakPolarHBondContact CB-O 3.45Å; S454-W497 PolarHBondContact OG-O 3.2Å
455	C	98.8	Very high	97.2	Very high	18 Å²	18	38.8 Å²	38.8	12%	0.122	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.9	-174.1	-176	0	0	0	0	110.7	S468 S469 W497	C455-S468 WeakPolarHBondContact O-CA 3.5Å; C455-S469 WeakPolarHBondContact CB-OG 3.41Å; C455-S469 PolarHBondContact N-OG 2.83Å; C455-S469 PolarHBondContact O-N 3.36Å; C455-S469 PolarHBondContact O-OG 3.39Å; C455-W497 WeakPolarHBondContact CB-O 3.34Å
456	I	98.8	Very high	97.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	156	169.3	48.2	164.4	0	0	0	109.9	S406 E408 A417 A419 I425 I453 L466 A467	S406-I456 VanDerWaalsContact OG-CG1 3.26Å; S406-I456 WeakPolarHBondContact OG-CG1 3.3Å; S406-I456 PolarHBondContact OG-N 2.9Å; S406-I456 VanDerWaalsContact OG-N 3.11Å; E408-I456 WeakPolarHBondContact CG-O 3.36Å; A417-I456 HydrophobicContact CB-CD1 3.56Å; A417-I456 WeakPolarHBondContact O-CD1 2.97Å; A419-I456 HydrophobicContact CB-CD1 4.14Å; A419-I456 HydrophobicContact CB-CG1 4.2Å; A419-I456 HydrophobicContact CB-CG2 3.7Å; I425-I456 HydrophobicContact CD1-CG2 4.29Å; I453-I456 HydrophobicContact CG2-CG2 4.3Å; I456-L466 HydrophobicContact CB-CD1 4.1Å; I456-A467 CarbonylContact C-O 3.56Å; I456-A467 WeakPolarHBondContact CA-O 3.29Å
457	S	98.7	Very high	97.4	Very high	10 Å²	10	34 Å²	34	7%	0.07	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	125.2	177.3	-178.2	0	0	0	0	109.8	A467 V499 D500 F501	S457-A467 PolarHBondContact N-O 2.72Å; S457-A467 PolarHBondContact O-N 2.93Å; S457-V499 WeakPolarHBondContact CB-O 3.44Å; S457-D500 PolarHBondContact OG-OD1 2.83Å; S457-F501 WeakPolarHBondContact O-CD2 3.39Å; S457-F501 WeakPolarHBondContact O-CE2 3.23Å; S457-F501 PolarHBondContact OG-N 2.97Å
458	W	98.5	Very high	97.5	Very high	18 Å²	18	33.7 Å²	33.7	7%	0.068	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	150.9	174.3	-70.7	96.4	0	0	0	111.4	E408 D410 A417 V427 K463 L466 F481 F501	E408-W458 PolarHBondContact O-NE1 2.97Å; E408-W458 VanDerWaalsContact O-NE1 3.12Å; D410-W458 HydrophobicContact CB-CD2 4Å; D410-W458 HydrophobicContact CB-CE3 4.24Å; D410-W458 HydrophobicContact CB-CG 4.33Å; D410-W458 HydrophobicContact CB-CZ2 4.42Å; A417-W458 HydrophobicContact CB-CZ2 3.79Å; V427-W458 HydrophobicContact CG1-CH2 4.31Å; V427-W458 HydrophobicContact CG1-CZ2 4.2Å; V427-W458 HydrophobicContact CG2-CH2 4.38Å; V427-W458 HydrophobicContact CG2-CZ2 4.27Å; W458-K463 WeakPolarHBondContact CZ3-O 3.42Å; W458-L466 HydrophobicContact CD2-CB 4.22Å; W458-L466 HydrophobicContact CD2-CD1 3.76Å; W458-L466 HydrophobicContact CD2-CG 4.42Å; W458-L466 HydrophobicContact CE3-CB 3.87Å; W458-L466 HydrophobicContact CE3-CD1 4.3Å; W458-L466 HydrophobicContact CG-CD1 3.83Å; W458-L466 HydrophobicContact CH2-CB 4.49Å; W458-L466 HydrophobicContact CH2-CD2 4.34Å; W458-L466 HydrophobicContact CZ2-CD2 4.15Å; W458-L466 HydrophobicContact CZ3-CB 4.01Å; W458-F481 HydrophobicContact CH2-CZ 4.35Å; W458-F481 HydrophobicContact CZ3-CE2 4.46Å; W458-F501 VanDerWaalsContact C-CD2 3.47Å; W458-F501 WeakPolarHBondContact O-CD2 3.45Å
459	S	98	Very high	97.6	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.014	15%	0.149	C	C	.	.			trans	-74.1	129.1	173	-177.8	0	0	0	0	111.3	Y461 H462 L465	S459-Y461 PolarHBondContact O-N 2.83Å; S459-Y461 PolarHBondContact OG-N 2.91Å; S459-H462 PolarHBondContact OG-N 3.01Å; S459-L465 PolarHBondContact N-O 3.17Å
460	S	95.4	Very high	97.7	Very high	36 Å²	36	29.7 Å²	29.7	25%	0.252	15%	0.148	S	C	.	.	S	Bend	trans	-69.5	2.5	171.2	60.8	0	0	0	0	114	R411 L503	R411-S460 WeakPolarHBondContact CD-O 3.34Å; R411-S460 WeakPolarHBondContact CG-O 3.4Å; S460-L503 WeakPolarHBondContact OG-CA 3.49Å
461	Y	96.2	Very high	97.9	Very high	87 Å²	87	28.2 Å²	28.2	34%	0.341	14%	0.136	S	C	.	.	S	Bend	trans	-120.4	-50.7	-178.6	-68.6	-89.5	0	0	0	112.2	R411 S459 L503 M504 D505 P506	R411-Y461 PolarHBondContact NH1-O 3.28Å; S459-Y461 PolarHBondContact O-N 2.83Å; S459-Y461 PolarHBondContact OG-N 2.91Å; Y461-L503 PolarHBondContact OH-O 3.38Å; Y461-M504 VanDerWaalsContact OH-CA 3.27Å; Y461-M504 WeakPolarHBondContact OH-CA 3.31Å; Y461-D505 PolarHBondContact OH-N 3.03Å; Y461-P506 HydrophobicContact CD1-CB 3.99Å; Y461-P506 HydrophobicContact CD1-CG 4.44Å; Y461-P506 VanDerWaalsContact CD2-CA 3.46Å; Y461-P506 HydrophobicContact CD2-CB 3.72Å; Y461-P506 HydrophobicContact CE1-CB 4.45Å; Y461-P506 HydrophobicContact CE2-CB 4.2Å; Y461-P506 HydrophobicContact CG-CB 3.59Å; Y461-P506 HydrophobicContact CG-CG 4.47Å
462	H	96.4	Very high	97.9	Very high	95 Å²	95	32.8 Å²	32.8	44%	0.44	16%	0.155	S	C	.	.			trans	-105	104.7	-175.2	-61.4	-69.2	0	0	0	110.2	S459 N464 L465	S459-H462 PolarHBondContact OG-N 3.01Å; H462-N464 PolarHBondContact O-N 2.88Å; H462-N464 VanDerWaalsContact O-N 3.09Å; H462-L465 HydrophobicContact CB-CB 3.68Å; H462-L465 HydrophobicContact CB-CD2 4.34Å; H462-L465 PolarHBondContact O-N 2.83Å
463	K	95.2	Very high	97.9	Very high	57 Å²	57	28.9 Å²	28.9	25%	0.248	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-36.3	-173.7	-172	173	-164.7	152.3	0	114.1	D410 D412 D414 W458 F481	D410-K463 VanDerWaalsContact OD2-CE 3.27Å; D410-K463 WeakPolarHBondContact OD2-CE 3.3Å; D410-K463 WeakPolarHBondContact OD2-CG 3.34Å; D412-K463 WeakPolarHBondContact OD2-CD 3.36Å; D412-K463 VanDerWaalsContact OD2-CE 3.3Å; D412-K463 WeakPolarHBondContact OD2-CE 3.28Å; D412-K463 IonicContact OD2-NZ 2.62Å; D412-K463 PolarHBondContact OD2-NZ 3.01Å; D414-K463 IonicContact OD2-NZ 2.83Å; D414-K463 PolarHBondContact OD2-NZ 3.02Å; W458-K463 WeakPolarHBondContact CZ3-O 3.42Å; K463-F481 HydrophobicContact CG-CE2 4.47Å
464	N	96.8	Very high	97.9	Very high	64 Å²	64	29.2 Å²	29.2	34%	0.342	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.2	179.2	61.3	-35.4	0	0	0	114.5	H462 L466 D479 G480 F481	H462-N464 PolarHBondContact O-N 2.88Å; H462-N464 VanDerWaalsContact O-N 3.09Å; N464-L466 PolarHBondContact O-N 2.89Å; N464-D479 PolarHBondContact ND2-OD2 2.7Å; N464-D479 CarbonylContact O-C 3.56Å; N464-D479 WeakPolarHBondContact O-CA 3.22Å; N464-G480 PolarHBondContact O-N 2.92Å; N464-F481 HydrophobicContact CB-CD2 3.84Å; N464-F481 HydrophobicContact CB-CE2 4.16Å
465	L	98.4	Very high	97.9	Very high	20 Å²	20	28.8 Å²	28.8	11%	0.105	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.8	-170.6	-177.4	63	0	0	0	111.7	S459 H462 L477 F501 T523	S459-L465 PolarHBondContact N-O 3.17Å; H462-L465 HydrophobicContact CB-CB 3.68Å; H462-L465 HydrophobicContact CB-CD2 4.34Å; H462-L465 PolarHBondContact O-N 2.83Å; L465-L477 HydrophobicContact CD1-CB 4.25Å; L465-F501 HydrophobicContact CD1-CZ 4.4Å; L465-F501 HydrophobicContact CD2-CE1 3.88Å; L465-F501 HydrophobicContact CD2-CZ 3.69Å; L465-F501 HydrophobicContact CG-CE1 4.36Å; L465-F501 HydrophobicContact CG-CE2 4.28Å; L465-F501 HydrophobicContact CG-CZ 3.65Å; L465-T523 HydrophobicContact CD2-CG2 4.24Å
466	L	98.6	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.4	-179.7	178.7	57.9	0	0	0	110.4	A417 I425 M447 I456 W458 N464 W478	A417-L466 HydrophobicContact CB-CD2 3.96Å; I425-L466 HydrophobicContact CG2-CD2 3.93Å; M447-L466 HydrophobicContact CE-CD2 4.14Å; I456-L466 HydrophobicContact CB-CD1 4.1Å; W458-L466 HydrophobicContact CD2-CB 4.22Å; W458-L466 HydrophobicContact CD2-CD1 3.76Å; W458-L466 HydrophobicContact CD2-CG 4.42Å; W458-L466 HydrophobicContact CE3-CB 3.87Å; W458-L466 HydrophobicContact CE3-CD1 4.3Å; W458-L466 HydrophobicContact CG-CD1 3.83Å; W458-L466 HydrophobicContact CH2-CB 4.49Å; W458-L466 HydrophobicContact CH2-CD2 4.34Å; W458-L466 HydrophobicContact CZ2-CD2 4.15Å; W458-L466 HydrophobicContact CZ3-CB 4.01Å; N464-L466 PolarHBondContact O-N 2.89Å; L466-W478 HydrophobicContact CB-CB 4.43Å; L466-W478 PolarHBondContact N-O 2.97Å; L466-W478 PolarHBondContact O-N 3.11Å
467	A	98.8	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	147.3	171.3	0	0	0	0	0	110.7	I456 S457 I476 L477 V499 F501 L509	I456-A467 CarbonylContact C-O 3.56Å; I456-A467 WeakPolarHBondContact CA-O 3.29Å; S457-A467 PolarHBondContact N-O 2.72Å; S457-A467 PolarHBondContact O-N 2.93Å; A467-I476 CarbonylContact C-O 3.53Å; A467-I476 WeakPolarHBondContact CA-O 3.44Å; A467-L477 HydrophobicContact CB-CD2 3.67Å; A467-V499 HydrophobicContact CB-CG1 4.2Å; A467-V499 HydrophobicContact CB-CG2 3.83Å; A467-F501 HydrophobicContact CB-CD2 4.2Å; A467-F501 HydrophobicContact CB-CE2 3.53Å; A467-F501 HydrophobicContact CB-CZ 4.01Å; A467-L509 HydrophobicContact CB-CD1 4.22Å
468	S	98.8	Very high	97.9	Very high	1 Å²	1	28 Å²	28	1%	0.007	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	137.4	171.6	69.9	0	0	0	0	111.8	C455 V475 I476 W478	C455-S468 WeakPolarHBondContact O-CA 3.5Å; S468-V475 WeakPolarHBondContact O-CA 3.47Å; S468-I476 PolarHBondContact N-O 3.33Å; S468-I476 PolarHBondContact O-N 3.26Å; S468-W478 PolarHBondContact OG-NE1 3.29Å
469	S	98.8	Very high	97.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.4	169.2	57.9	0	0	0	0	112.3	I453 S454 C455 T474 C496	I453-S469 VanDerWaalsContact CG2-O 3.3Å; I453-S469 WeakPolarHBondContact CG2-O 3.36Å; S454-S469 PolarHBondContact N-O 3.46Å; S454-S469 PolarHBondContact OG-O 2.96Å; S454-S469 PolarHBondContact OG-OG 3.15Å; C455-S469 WeakPolarHBondContact CB-OG 3.41Å; C455-S469 PolarHBondContact N-OG 2.83Å; C455-S469 PolarHBondContact O-N 3.36Å; C455-S469 PolarHBondContact O-OG 3.39Å; S469-T474 WeakPolarHBondContact CA-O 3.37Å; S469-C496 WeakPolarHBondContact CB-SG 3.31Å
470	D	98.5	Very high	97.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.011	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	173.9	-176.2	80.3	20.9	0	0	0	116	K452 E472 G473 T474 C496	K452-D470 CarbonylContact O-C 3.58Å; K452-D470 WeakPolarHBondContact O-CA 3.49Å; K452-D470 WeakPolarHBondContact O-CB 3.39Å; D470-E472 VanDerWaalsContact C-N 3.28Å; D470-E472 PolarHBondContact O-N 3Å; D470-E472 WeakPolarHBondContact OD1-CA 3.4Å; D470-E472 WeakPolarHBondContact OD1-CB 3.38Å; D470-E472 PolarHBondContact OD1-N 2.77Å; D470-G473 PolarHBondContact O-N 2.9Å; D470-G473 PolarHBondContact OD1-N 3.29Å; D470-T474 PolarHBondContact N-O 3.39Å; D470-T474 PolarHBondContact OD1-N 3.06Å; D470-T474 WeakPolarHBondContact OD2-CB 3.39Å; D470-T474 PolarHBondContact OD2-OG1 3.37Å; D470-C496 PolarHBondContact O-N 2.91Å
471	Y	98.4	Very high	97.9	Very high	71 Å²	71	30.1 Å²	30.1	28%	0.278	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-9.1	-177.8	-84.4	41	0	0	0	114.6	S451 K452 R495	S451-Y471 WeakPolarHBondContact OG-CB 3.3Å; K452-Y471 HydrophobicContact CB-CD1 3.96Å; K452-Y471 HydrophobicContact CB-CD2 3.96Å; K452-Y471 HydrophobicContact CB-CE1 4.31Å; K452-Y471 HydrophobicContact CB-CE2 4.34Å; K452-Y471 HydrophobicContact CB-CG 3.77Å; K452-Y471 HydrophobicContact CD-CD2 4.31Å; K452-Y471 HydrophobicContact CD-CE2 4.32Å; K452-Y471 WeakPolarHBondContact O-CB 3.27Å; K452-Y471 WeakPolarHBondContact O-CD1 3.29Å; K452-Y471 PolarHBondContact O-N 3.26Å; Y471-R495 HydrophobicContact CD1-CG 4.01Å; Y471-R495 VanDerWaalsContact CD2-NE 3.26Å; Y471-R495 HydrophobicContact CE1-CG 4.46Å; Y471-R495 HydrophobicContact CG-CG 4.19Å
472	E	98.2	Very high	97.9	Very high	112 Å²	112	29.9 Å²	29.9	52%	0.523	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-18.3	168.5	-75.6	169.5	158.3	0	0	111.5	D470	D470-E472 VanDerWaalsContact C-N 3.28Å; D470-E472 PolarHBondContact O-N 3Å; D470-E472 WeakPolarHBondContact OD1-CA 3.4Å; D470-E472 WeakPolarHBondContact OD1-CB 3.38Å; D470-E472 PolarHBondContact OD1-N 2.77Å
473	G	97.9	Very high	97.9	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	105.9	-2.1	-176.2	0	0	0	0	0	113.2	D470 H492 K494	D470-G473 PolarHBondContact O-N 2.9Å; D470-G473 PolarHBondContact OD1-N 3.29Å; G473-H492 WeakPolarHBondContact O-CB 3.2Å; G473-K494 VanDerWaalsContact CA-O 3.25Å; G473-K494 WeakPolarHBondContact CA-O 3.34Å
474	T	98.4	Very high	98	Very high	8 Å²	8	30.2 Å²	30.2	5%	0.049	16%	0.155	C	C	.	.			trans	-68.9	138.8	-179.8	-43.2	0	0	0	0	110.2	S469 D470 I476 V488 Y489 Q490	S469-T474 WeakPolarHBondContact CA-O 3.37Å; D470-T474 PolarHBondContact N-O 3.39Å; D470-T474 PolarHBondContact OD1-N 3.06Å; D470-T474 WeakPolarHBondContact OD2-CB 3.39Å; D470-T474 PolarHBondContact OD2-OG1 3.37Å; T474-I476 HydrophobicContact CG2-CD1 4.09Å; T474-I476 HydrophobicContact CG2-CG1 3.5Å; T474-V488 HydrophobicContact CG2-CG1 3.67Å; T474-Y489 WeakPolarHBondContact CA-O 3.49Å; T474-Q490 HydrophobicContact CG2-CG 3.81Å; T474-Q490 PolarHBondContact OG1-NE2 3.49Å
475	V	98.8	Very high	98	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.6	162.3	-178.2	0	0	0	0	107.8	S468 Y489 V499 L509	S468-V475 WeakPolarHBondContact O-CA 3.47Å; V475-Y489 HydrophobicContact CB-CD2 4.08Å; V475-Y489 HydrophobicContact CG1-CD2 4.09Å; V475-Y489 PolarHBondContact N-O 3.02Å; V475-Y489 WeakPolarHBondContact O-CB 3.47Å; V475-Y489 WeakPolarHBondContact O-CD2 3.47Å; V475-Y489 PolarHBondContact O-N 2.94Å; V475-V499 HydrophobicContact CG1-CB 4.45Å; V475-V499 HydrophobicContact CG1-CG2 3.77Å; V475-L509 HydrophobicContact CG1-CD1 4.07Å
476	I	98.7	Very high	97.9	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.036	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.6	-177	-53.3	176.6	0	0	0	108.8	A467 S468 T474 W478 R485 V488	A467-I476 CarbonylContact C-O 3.53Å; A467-I476 WeakPolarHBondContact CA-O 3.44Å; S468-I476 PolarHBondContact N-O 3.33Å; S468-I476 PolarHBondContact O-N 3.26Å; T474-I476 HydrophobicContact CG2-CD1 4.09Å; T474-I476 HydrophobicContact CG2-CG1 3.5Å; I476-W478 HydrophobicContact CB-CZ2 4.33Å; I476-W478 HydrophobicContact CD1-CZ2 3.92Å; I476-W478 HydrophobicContact CG2-CD2 3.98Å; I476-W478 VanDerWaalsContact CG2-CE2 3.46Å; I476-W478 HydrophobicContact CG2-CG 4.24Å; I476-W478 HydrophobicContact CG2-CZ2 3.85Å; I476-R485 HydrophobicContact CG2-CB 4.22Å; I476-R485 HydrophobicContact CG2-CG 3.88Å; I476-V488 HydrophobicContact CG2-CG2 4.32Å
477	L	98.7	Very high	97.8	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.4	166.1	-60.6	-171.5	0	0	0	109.7	L465 A467 R485 S486 K487 Y489 F501 L509 T523	L465-L477 HydrophobicContact CD1-CB 4.25Å; A467-L477 HydrophobicContact CB-CD2 3.67Å; L477-R485 CarbonylContact O-C 3.59Å; L477-R485 WeakPolarHBondContact O-CA 3.3Å; L477-S486 WeakPolarHBondContact CB-OG 3.5Å; L477-S486 PolarHBondContact O-N 3.26Å; L477-S486 PolarHBondContact O-OG 2.89Å; L477-K487 HydrophobicContact CB-CB 4.09Å; L477-K487 HydrophobicContact CD1-CB 3.98Å; L477-K487 HydrophobicContact CD1-CG 4.11Å; L477-K487 HydrophobicContact CG-CB 4.05Å; L477-K487 PolarHBondContact N-O 2.85Å; L477-Y489 HydrophobicContact CD1-CE2 3.97Å; L477-Y489 HydrophobicContact CD2-CE2 4.45Å; L477-Y489 HydrophobicContact CG-CE2 3.88Å; L477-F501 HydrophobicContact CD2-CZ 3.85Å; L477-L509 HydrophobicContact CD1-CD2 4.37Å; L477-L509 HydrophobicContact CD2-CD1 3.79Å; L477-L509 HydrophobicContact CD2-CD2 4.37Å; L477-T523 HydrophobicContact CD1-CG2 3.79Å
478	W	98.6	Very high	97.8	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.1	-177.9	-55.4	87.3	0	0	0	110.6	I425 M447 C449 L466 S468 I476 Q484 R485	I425-W478 HydrophobicContact CD1-CZ2 4.49Å; M447-W478 HydrophobicContact CB-CE3 4.1Å; M447-W478 HydrophobicContact CB-CH2 4.21Å; M447-W478 HydrophobicContact CB-CZ3 3.88Å; M447-W478 HydrophobicContact CG-CE3 3.96Å; M447-W478 HydrophobicContact CG-CZ3 4.11Å; M447-W478 HydrophobicContact SD-CB 3.89Å; M447-W478 HydrophobicContact SD-CD2 3.87Å; M447-W478 HydrophobicContact SD-CE3 3.66Å; M447-W478 HydrophobicContact SD-CG 4Å; M447-W478 HydrophobicContact SD-CZ3 4.39Å; C449-W478 VanDerWaalsContact SG-CZ2 3.53Å; L466-W478 HydrophobicContact CB-CB 4.43Å; L466-W478 PolarHBondContact N-O 2.97Å; L466-W478 PolarHBondContact O-N 3.11Å; S468-W478 PolarHBondContact OG-NE1 3.29Å; I476-W478 HydrophobicContact CB-CZ2 4.33Å; I476-W478 HydrophobicContact CD1-CZ2 3.92Å; I476-W478 HydrophobicContact CG2-CD2 3.98Å; I476-W478 VanDerWaalsContact CG2-CE2 3.46Å; I476-W478 HydrophobicContact CG2-CG 4.24Å; I476-W478 HydrophobicContact CG2-CZ2 3.85Å; W478-Q484 CarbonylContact C-O 3.58Å; W478-Q484 VanDerWaalsContact CA-O 3.31Å; W478-Q484 WeakPolarHBondContact CA-O 3.14Å; W478-R485 HydrophobicContact CD2-CG 4.17Å; W478-R485 HydrophobicContact CE3-CG 3.62Å; W478-R485 HydrophobicContact CH2-CG 3.9Å; W478-R485 HydrophobicContact CZ2-CG 4.35Å; W478-R485 HydrophobicContact CZ3-CG 3.48Å; W478-R485 VanDerWaalsContact CZ3-CG 3.48Å
479	D	98.2	Very high	97.8	Very high	34 Å²	34	40.6 Å²	40.6	18%	0.182	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113.1	147.9	-179.6	-67.6	0	0	0	107.9	N464 F481 T482 G483 Q484	N464-D479 PolarHBondContact ND2-OD2 2.7Å; N464-D479 CarbonylContact O-C 3.56Å; N464-D479 WeakPolarHBondContact O-CA 3.22Å; D479-F481 PolarHBondContact O-N 3.06Å; D479-F481 PolarHBondContact OD1-N 3.37Å; D479-F481 VanDerWaalsContact OD1-N 3.17Å; D479-T482 VanDerWaalsContact CB-OG1 3.27Å; D479-T482 WeakPolarHBondContact CB-OG1 3.13Å; D479-T482 WeakPolarHBondContact OD1-CB 3.5Å; D479-T482 WeakPolarHBondContact OD1-CG2 3.23Å; D479-T482 PolarHBondContact OD1-N 2.74Å; D479-T482 PolarHBondContact OD1-OG1 3.09Å; D479-G483 VanDerWaalsContact O-CA 3.29Å; D479-G483 WeakPolarHBondContact O-CA 3.29Å; D479-G483 PolarHBondContact O-N 3.12Å; D479-Q484 PolarHBondContact N-O 3.05Å
480	G	96.7	Very high	97.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.2	-170.8	0	0	0	0	0	115.1	N445 M447 N464	N445-G480 PolarHBondContact ND2-O 2.9Å; M447-G480 WeakPolarHBondContact CE-O 3.45Å; N464-G480 PolarHBondContact O-N 2.92Å
481	F	96.8	Very high	97.7	Very high	67 Å²	67	49.9 Å²	49.9	29%	0.294	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-35.6	-177.6	-59.1	-72.3	0	0	0	112.3	Y415 V427 N445 W458 K463 N464 D479	Y415-F481 AromaticContact CD1-CE1 3.9Å; Y415-F481 HydrophobicContact CD1-CE1 3.9Å; Y415-F481 AromaticContact CD2-CE1 3.79Å; Y415-F481 HydrophobicContact CD2-CE1 3.79Å; Y415-F481 AromaticContact CD2-CZ 3.68Å; Y415-F481 HydrophobicContact CD2-CZ 3.68Å; Y415-F481 AromaticContact CE1-CE1 3.97Å; Y415-F481 HydrophobicContact CE1-CE1 3.97Å; Y415-F481 AromaticContact CE2-CE1 3.83Å; Y415-F481 HydrophobicContact CE2-CE1 3.83Å; Y415-F481 AromaticContact CE2-CZ 3.91Å; Y415-F481 HydrophobicContact CE2-CZ 3.91Å; Y415-F481 AromaticContact CG-CE1 3.84Å; Y415-F481 HydrophobicContact CG-CE1 3.84Å; Y415-F481 HydrophobicContact CG-CZ 4.05Å; Y415-F481 AromaticContact CZ-CE1 3.95Å; V427-F481 HydrophobicContact CG1-CE1 4.38Å; N445-F481 PolarHBondContact ND2-O 3.44Å; W458-F481 HydrophobicContact CH2-CZ 4.35Å; W458-F481 HydrophobicContact CZ3-CE2 4.46Å; K463-F481 HydrophobicContact CG-CE2 4.47Å; N464-F481 HydrophobicContact CB-CD2 3.84Å; N464-F481 HydrophobicContact CB-CE2 4.16Å; D479-F481 PolarHBondContact O-N 3.06Å; D479-F481 PolarHBondContact OD1-N 3.37Å; D479-F481 VanDerWaalsContact OD1-N 3.17Å
482	T	97.1	Very high	97.8	Very high	83 Å²	83	47.2 Å²	47.2	51%	0.509	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-12.4	175.6	64.7	0	0	0	0	113.6	D479 Q484	D479-T482 VanDerWaalsContact CB-OG1 3.27Å; D479-T482 WeakPolarHBondContact CB-OG1 3.13Å; D479-T482 WeakPolarHBondContact OD1-CB 3.5Å; D479-T482 WeakPolarHBondContact OD1-CG2 3.23Å; D479-T482 PolarHBondContact OD1-N 2.74Å; D479-T482 PolarHBondContact OD1-OG1 3.09Å; T482-Q484 PolarHBondContact O-N 2.84Å
483	G	95.7	Very high	97.8	Very high	23 Å²	23	48.3 Å²	48.3	24%	0.237	25%	0.246	C	C	.	.			trans	70.1	8.8	-177.8	0	0	0	0	0	115.2	N445 D479	N445-G483 PolarHBondContact ND2-N 3.05Å; D479-G483 VanDerWaalsContact O-CA 3.29Å; D479-G483 WeakPolarHBondContact O-CA 3.29Å; D479-G483 PolarHBondContact O-N 3.12Å
484	Q	96.9	Very high	97.8	Very high	136 Å²	136	53.1 Å²	53.1	64%	0.636	27%	0.266	S	S	*	.			trans	-75.7	138.4	-178.3	-64.3	-172.3	17.2	0	0	111.9	W478 D479 T482	W478-Q484 CarbonylContact C-O 3.58Å; W478-Q484 VanDerWaalsContact CA-O 3.31Å; W478-Q484 WeakPolarHBondContact CA-O 3.14Å; D479-Q484 PolarHBondContact N-O 3.05Å; T482-Q484 PolarHBondContact O-N 2.84Å
485	R	97.3	Very high	97.8	Very high	116 Å²	116	56.4 Å²	56.4	44%	0.438	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.7	174.4	-60.7	177.8	-174.1	169.3	0.5	109.5	T448 I476 L477 W478 V488	T448-R485 PolarHBondContact O-NH2 3.09Å; I476-R485 HydrophobicContact CG2-CB 4.22Å; I476-R485 HydrophobicContact CG2-CG 3.88Å; L477-R485 CarbonylContact O-C 3.59Å; L477-R485 WeakPolarHBondContact O-CA 3.3Å; W478-R485 HydrophobicContact CD2-CG 4.17Å; W478-R485 HydrophobicContact CE3-CG 3.62Å; W478-R485 HydrophobicContact CH2-CG 3.9Å; W478-R485 HydrophobicContact CZ2-CG 4.35Å; W478-R485 HydrophobicContact CZ3-CG 3.48Å; W478-R485 VanDerWaalsContact CZ3-CG 3.48Å; R485-V488 HydrophobicContact CB-CG2 4.36Å
486	S	95.5	Very high	97.8	Very high	73 Å²	73	56.4 Å²	56.4	51%	0.51	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-31.7	-178.6	59.8	0	0	0	0	113.3	L477	L477-S486 WeakPolarHBondContact CB-OG 3.5Å; L477-S486 PolarHBondContact O-N 3.26Å; L477-S486 PolarHBondContact O-OG 2.89Å
487	K	97.4	Very high	97.8	Very high	44 Å²	44	58 Å²	58	19%	0.191	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.8	170.5	-67.5	-65.1	-171.9	-173	0	110.7	L477 Y489 T523 L525 D526	L477-K487 HydrophobicContact CB-CB 4.09Å; L477-K487 HydrophobicContact CD1-CB 3.98Å; L477-K487 HydrophobicContact CD1-CG 4.11Å; L477-K487 HydrophobicContact CG-CB 4.05Å; L477-K487 PolarHBondContact N-O 2.85Å; K487-Y489 HydrophobicContact CB-CE1 4.08Å; K487-Y489 HydrophobicContact CB-CE2 4.07Å; K487-Y489 HydrophobicContact CG-CE1 4.34Å; K487-T523 VanDerWaalsContact CE-O 3.26Å; K487-T523 WeakPolarHBondContact CE-O 3.15Å; K487-L525 WeakPolarHBondContact CE-O 3.39Å; K487-D526 VanDerWaalsContact NZ-CG 3.34Å; K487-D526 IonicContact NZ-OD1 2.67Å; K487-D526 PolarHBondContact NZ-OD1 2.9Å; K487-D526 IonicContact NZ-OD2 2.69Å; K487-D526 PolarHBondContact NZ-OD2 2.93Å
488	V	98.3	Very high	97.8	Very high	69 Å²	69	58.5 Å²	58.5	42%	0.418	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	102.4	176.3	179.6	0	0	0	0	107.6	T474 I476 R485 Q490	T474-V488 HydrophobicContact CG2-CG1 3.67Å; I476-V488 HydrophobicContact CG2-CG2 4.32Å; R485-V488 HydrophobicContact CB-CG2 4.36Å; V488-Q490 HydrophobicContact CG1-CG 4.15Å
489	Y	98.6	Very high	97.8	Very high	1 Å²	1	58.4 Å²	58.4	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.7	-177.5	-54.7	-63.5	0	0	0	110.7	T474 V475 L477 K487 L509 W521 S522 L525 D526	T474-Y489 WeakPolarHBondContact CA-O 3.49Å; V475-Y489 HydrophobicContact CB-CD2 4.08Å; V475-Y489 HydrophobicContact CG1-CD2 4.09Å; V475-Y489 PolarHBondContact N-O 3.02Å; V475-Y489 WeakPolarHBondContact O-CB 3.47Å; V475-Y489 WeakPolarHBondContact O-CD2 3.47Å; V475-Y489 PolarHBondContact O-N 2.94Å; L477-Y489 HydrophobicContact CD1-CE2 3.97Å; L477-Y489 HydrophobicContact CD2-CE2 4.45Å; L477-Y489 HydrophobicContact CG-CE2 3.88Å; K487-Y489 HydrophobicContact CB-CE1 4.08Å; K487-Y489 HydrophobicContact CB-CE2 4.07Å; K487-Y489 HydrophobicContact CG-CE1 4.34Å; Y489-L509 HydrophobicContact CE2-CD2 4.45Å; Y489-W521 HydrophobicContact CD1-CD2 4.15Å; Y489-W521 AromaticContact CD1-CE3 3.5Å; Y489-W521 HydrophobicContact CD1-CE3 3.5Å; Y489-W521 VanDerWaalsContact CD1-CE3 3.5Å; Y489-W521 AromaticContact CD1-CZ3 3.92Å; Y489-W521 HydrophobicContact CD1-CZ3 3.92Å; Y489-W521 HydrophobicContact CD2-CB 4.35Å; Y489-W521 HydrophobicContact CD2-CD2 4.01Å; Y489-W521 HydrophobicContact CD2-CE3 4.19Å; Y489-W521 HydrophobicContact CD2-CG 4.1Å; Y489-W521 HydrophobicContact CE1-CB 4.34Å; Y489-W521 HydrophobicContact CE1-CE3 4.09Å; Y489-W521 HydrophobicContact CE2-CB 3.93Å; Y489-W521 HydrophobicContact CE2-CD2 4.47Å; Y489-W521 HydrophobicContact CE2-CG 4.16Å; Y489-W521 AromaticContact CG-CD2 3.83Å; Y489-W521 HydrophobicContact CG-CD2 3.83Å; Y489-W521 AromaticContact CG-CE3 3.55Å; Y489-W521 HydrophobicContact CG-CE3 3.55Å; Y489-W521 HydrophobicContact CG-CG 4.36Å; Y489-W521 HydrophobicContact CG-CH2 4.42Å; Y489-W521 AromaticContact CG-CZ3 3.89Å; Y489-W521 HydrophobicContact CG-CZ3 3.89Å; Y489-S522 PolarHBondContact OH-O 3.43Å; Y489-L525 WeakPolarHBondContact CE1-O 3.42Å; Y489-D526 WeakPolarHBondContact CD1-O 3.32Å
490	Q	98.1	Very high	97.8	Very high	141 Å²	141	57.2 Å²	57.2	66%	0.659	28%	0.28	S	S	*	.			trans	-132.9	62.8	-174.7	-70.4	-174	-31.9	0	0	111.8	T474 V488	T474-Q490 HydrophobicContact CG2-CG 3.81Å; T474-Q490 PolarHBondContact OG1-NE2 3.49Å; V488-Q490 HydrophobicContact CG1-CG 4.15Å
491	E	98.6	Very high	97.9	Very high	56 Å²	56	57.3 Å²	57.3	26%	0.262	28%	0.281	S	S	.	.			trans	-119.4	-5	174.5	-48.5	177.5	-173.6	0	0	114.4	K519 W521 N527 S528	E491-K519 HydrophobicContact CB-CD 4.03Å; E491-K519 VanDerWaalsContact O-CE 3.25Å; E491-K519 WeakPolarHBondContact O-CE 3.44Å; E491-K519 IonicContact OE2-NZ 2.85Å; E491-K519 PolarHBondContact OE2-NZ 3.39Å; E491-W521 HydrophobicContact CB-CH2 3.83Å; E491-W521 HydrophobicContact CB-CZ3 4.37Å; E491-W521 HydrophobicContact CG-CH2 3.82Å; E491-W521 HydrophobicContact CG-CZ3 3.86Å; E491-N527 WeakPolarHBondContact OE1-CA 3.49Å; E491-N527 WeakPolarHBondContact OE1-CB 3.29Å; E491-S528 PolarHBondContact OE1-N 3.02Å; E491-S528 WeakPolarHBondContact OE2-CB 3.28Å; E491-S528 PolarHBondContact OE2-OG 3.28Å
492	H	98.6	Very high	98	Very high	14 Å²	14	54.2 Å²	54.2	7%	0.065	27%	0.267	C	S	.	.			trans	-81.7	133.9	172.1	-81.4	-60.6	0	0	0	109.6	G473 K494 S511 S513 D515 K517	G473-H492 WeakPolarHBondContact O-CB 3.2Å; H492-K494 VanDerWaalsContact C-N 3.3Å; H492-K494 PolarHBondContact O-N 2.59Å; H492-S511 PolarHBondContact NE2-OG 2.85Å; H492-S513 VanDerWaalsContact ND1-CB 3.33Å; H492-S513 WeakPolarHBondContact ND1-CB 3.14Å; H492-D515 VanDerWaalsContact CA-OD2 3.29Å; H492-D515 WeakPolarHBondContact CA-OD2 3.02Å; H492-D515 IonicContact CE1-OD1 2.65Å; H492-D515 IonicContact CE1-OD2 3.76Å; H492-D515 IonicContact CG-OD2 2.71Å; H492-D515 IonicContact ND1-OD1 2.62Å; H492-D515 PolarHBondContact ND1-OD1 3.46Å; H492-D515 IonicContact ND1-OD2 2.72Å; H492-D515 PolarHBondContact ND1-OD2 2.86Å; H492-K517 PolarHBondContact CE1-O 3.23Å
493	E	98.3	Very high	97.9	Very high	135 Å²	135	53.3 Å²	53.3	63%	0.631	26%	0.259	S	S	*	.	S	Bend	trans	-84.8	-7.1	-173.6	-66.8	159.2	-128.1	0	0	113.1	D515 K517	E493-D515 HydrophobicContact CB-CB 4.12Å; E493-D515 PolarHBondContact N-OD2 2.75Å; E493-K517 IonicContact OE1-NZ 2.62Å; E493-K517 PolarHBondContact OE1-NZ 2.91Å
494	K	98.6	Very high	97.9	Very high	104 Å²	104	56.7 Å²	56.7	45%	0.452	27%	0.27	S	S	.	.	S	Bend	trans	-151.6	170.5	-176.9	-53.2	-176.7	-143.7	153.5	0	109.9	G473 H492 C496 S513 D514 D515	G473-K494 VanDerWaalsContact CA-O 3.25Å; G473-K494 WeakPolarHBondContact CA-O 3.34Å; H492-K494 VanDerWaalsContact C-N 3.3Å; H492-K494 PolarHBondContact O-N 2.59Å; K494-C496 PolarHBondContact O-N 3.28Å; K494-S513 PolarHBondContact O-OG 3.06Å; K494-D514 HydrophobicContact CB-CB 3.81Å; K494-D514 HydrophobicContact CD-CB 4.07Å; K494-D514 WeakPolarHBondContact CD-O 3.25Å; K494-D514 PolarHBondContact NZ-O 2.92Å; K494-D515 HydrophobicContact CB-CB 4.43Å; K494-D515 HydrophobicContact CG-CB 4.33Å
495	R	98.5	Very high	97.9	Very high	77 Å²	77	51.2 Å²	51.2	29%	0.291	25%	0.245	S	C	.	.			trans	-31.7	119.3	171.5	170.9	-174.5	-55.2	125.7	2.9	112.3	Y471 W497 S513 D514	Y471-R495 HydrophobicContact CD1-CG 4.01Å; Y471-R495 VanDerWaalsContact CD2-NE 3.26Å; Y471-R495 HydrophobicContact CE1-CG 4.46Å; Y471-R495 HydrophobicContact CG-CG 4.19Å; R495-W497 VanDerWaalsContact CD-CZ2 3.41Å; R495-W497 HydrophobicContact CG-CD2 4.25Å; R495-S513 VanDerWaalsContact O-CA 3.32Å; R495-S513 WeakPolarHBondContact O-CA 3.35Å; R495-S513 WeakPolarHBondContact O-CB 3.28Å; R495-S513 PolarHBondContact O-OG 2.83Å; R495-D514 IonicContact CZ-OD2 2.75Å; R495-D514 IonicContact NH1-OD2 2.72Å; R495-D514 PolarHBondContact NH1-OD2 3.45Å; R495-D514 PolarHBondContact O-N 3.17Å
496	C	98.8	Very high	97.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.6	164.8	-173.2	0	0	0	0	108	S454 S469 D470 K494 S498 G512	S454-C496 VanDerWaalsContact CB-O 3.29Å; S454-C496 WeakPolarHBondContact CB-O 3.05Å; S454-C496 PolarHBondContact OG-O 3.5Å; S469-C496 WeakPolarHBondContact CB-SG 3.31Å; D470-C496 PolarHBondContact O-N 2.91Å; K494-C496 PolarHBondContact O-N 3.28Å; C496-S498 PolarHBondContact SG-O 2.86Å; C496-S498 VanDerWaalsContact SG-O 3.39Å; C496-G512 CarbonylContact C-O 3.53Å; C496-G512 PolarHBondContact SG-O 2.86Å; C496-G512 VanDerWaalsContact SG-O 3.33Å
497	W	98.8	Very high	98	Very high	41 Å²	41	48.9 Å²	48.9	16%	0.155	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-29.5	-178.9	-77.4	110.1	0	0	0	113.4	S454 C455 R495 G512 D514 C539 F625	S454-W497 WeakPolarHBondContact CB-O 3.45Å; S454-W497 PolarHBondContact OG-O 3.2Å; C455-W497 WeakPolarHBondContact CB-O 3.34Å; R495-W497 VanDerWaalsContact CD-CZ2 3.41Å; R495-W497 HydrophobicContact CG-CD2 4.25Å; W497-G512 PolarHBondContact N-O 3Å; W497-D514 PolarHBondContact NE1-OD1 3.11Å; W497-D514 PolarHBondContact NE1-OD2 3.19Å; W497-C539 VanDerWaalsContact CB-O 3.27Å; W497-C539 WeakPolarHBondContact CB-O 3.29Å; W497-F625 HydrophobicContact CD2-CZ 4.13Å; W497-F625 HydrophobicContact CE3-CE1 4.34Å; W497-F625 HydrophobicContact CE3-CE2 4.12Å; W497-F625 AromaticContact CE3-CZ 3.94Å; W497-F625 HydrophobicContact CE3-CZ 3.94Å; W497-F625 HydrophobicContact CH2-CD2 4.35Å; W497-F625 AromaticContact CH2-CE2 3.72Å; W497-F625 HydrophobicContact CH2-CE2 3.72Å; W497-F625 HydrophobicContact CH2-CZ 4.23Å; W497-F625 HydrophobicContact CZ2-CE2 4.19Å; W497-F625 HydrophobicContact CZ2-CZ 4.4Å; W497-F625 HydrophobicContact CZ3-CD2 4.07Å; W497-F625 AromaticContact CZ3-CE2 3.69Å; W497-F625 HydrophobicContact CZ3-CE2 3.69Å; W497-F625 HydrophobicContact CZ3-CZ 4.01Å
498	S	98.7	Very high	98	Very high	11 Å²	11	48 Å²	48	8%	0.077	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	142.2	-169.2	177.7	0	0	0	0	111.1	C496 S511 G512 V541	C496-S498 PolarHBondContact SG-O 2.86Å; C496-S498 VanDerWaalsContact SG-O 3.39Å; S498-S511 VanDerWaalsContact O-CA 3.23Å; S498-S511 WeakPolarHBondContact O-CA 3.4Å; S498-G512 PolarHBondContact O-N 3.07Å; S498-V541 PolarHBondContact OG-N 3.24Å; S498-V541 PolarHBondContact OG-O 3.43Å
499	V	98.8	Very high	98	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.4	170	60.7	0	0	0	0	108.7	S457 A467 V475 L509 A510	S457-V499 WeakPolarHBondContact CB-O 3.44Å; A467-V499 HydrophobicContact CB-CG1 4.2Å; A467-V499 HydrophobicContact CB-CG2 3.83Å; V475-V499 HydrophobicContact CG1-CB 4.45Å; V475-V499 HydrophobicContact CG1-CG2 3.77Å; V499-L509 HydrophobicContact CG2-CD1 3.78Å; V499-A510 CarbonylContact C-O 3.53Å; V499-A510 VanDerWaalsContact CA-O 3.29Å; V499-A510 WeakPolarHBondContact CA-O 3.41Å
500	D	98.8	Very high	98	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.043	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	135.4	175.8	-164.1	41.6	0	0	0	112.6	S457 L509 A510 V541 K542 F543	S457-D500 PolarHBondContact OG-OD1 2.83Å; D500-L509 CarbonylContact O-C 3.56Å; D500-L509 VanDerWaalsContact O-CA 3.25Å; D500-L509 WeakPolarHBondContact O-CA 3.02Å; D500-L509 WeakPolarHBondContact O-CB 3.35Å; D500-A510 PolarHBondContact N-O 3.32Å; D500-A510 PolarHBondContact O-N 2.68Å; D500-V541 HydrophobicContact CB-CG2 4.29Å; D500-K542 IonicContact OD1-NZ 3.92Å; D500-K542 PolarHBondContact OD1-NZ 3.25Å; D500-K542 WeakPolarHBondContact OD2-CA 3.42Å; D500-K542 VanDerWaalsContact OD2-CD 3.24Å; D500-K542 WeakPolarHBondContact OD2-CD 3.5Å; D500-K542 IonicContact OD2-NZ 3.54Å; D500-K542 PolarHBondContact OD2-NZ 2.77Å; D500-F543 HydrophobicContact CB-CD2 4.31Å; D500-F543 WeakPolarHBondContact O-CE2 2.81Å; D500-F543 PolarHBondContact OD2-N 2.92Å
501	F	98.7	Very high	98.1	Very high	3 Å²	3	38 Å²	38	1%	0.013	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	148.4	168.3	-84.7	-72.9	0	0	0	112.2	S457 W458 L465 A467 L477 L503 L509 T523 F543	S457-F501 WeakPolarHBondContact O-CD2 3.39Å; S457-F501 WeakPolarHBondContact O-CE2 3.23Å; S457-F501 PolarHBondContact OG-N 2.97Å; W458-F501 VanDerWaalsContact C-CD2 3.47Å; W458-F501 WeakPolarHBondContact O-CD2 3.45Å; L465-F501 HydrophobicContact CD1-CZ 4.4Å; L465-F501 HydrophobicContact CD2-CE1 3.88Å; L465-F501 HydrophobicContact CD2-CZ 3.69Å; L465-F501 HydrophobicContact CG-CE1 4.36Å; L465-F501 HydrophobicContact CG-CE2 4.28Å; L465-F501 HydrophobicContact CG-CZ 3.65Å; A467-F501 HydrophobicContact CB-CD2 4.2Å; A467-F501 HydrophobicContact CB-CE2 3.53Å; A467-F501 HydrophobicContact CB-CZ 4.01Å; L477-F501 HydrophobicContact CD2-CZ 3.85Å; F501-L503 PolarHBondContact O-N 2.87Å; F501-L509 HydrophobicContact CD1-CB 3.84Å; F501-L509 HydrophobicContact CE1-CB 4.12Å; F501-L509 HydrophobicContact CE1-CD2 4.07Å; F501-L509 HydrophobicContact CE1-CG 4.49Å; F501-L509 HydrophobicContact CG-CB 4.36Å; F501-T523 HydrophobicContact CE1-CG2 4.24Å; F501-F543 WeakPolarHBondContact O-CD2 3.36Å
502	N	98.3	Very high	98.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.167	C	C	.	.			trans	-77	112.7	172.7	-169.7	-18	0	0	0	110.7	M504 D505 L508 F543 R548	N502-M504 PolarHBondContact O-N 3.28Å; N502-M504 PolarHBondContact OD1-N 3.27Å; N502-D505 HydrophobicContact CB-CB 4.01Å; N502-D505 WeakPolarHBondContact ND2-CB 3.34Å; N502-D505 PolarHBondContact O-N 2.82Å; N502-D505 VanDerWaalsContact O-N 3.14Å; N502-D505 VanDerWaalsContact O-O 3.12Å; N502-L508 HydrophobicContact CB-CB 3.89Å; N502-L508 WeakPolarHBondContact CB-O 3.39Å; N502-L508 PolarHBondContact N-O 2.96Å; N502-L508 WeakPolarHBondContact ND2-CD2 3.47Å; N502-F543 HydrophobicContact CB-CD1 3.83Å; N502-F543 HydrophobicContact CB-CD2 3.99Å; N502-F543 HydrophobicContact CB-CE1 3.79Å; N502-F543 HydrophobicContact CB-CE2 3.94Å; N502-F543 HydrophobicContact CB-CG 3.92Å; N502-F543 HydrophobicContact CB-CZ 3.85Å; N502-F543 VanDerWaalsContact CG-CD1 3.5Å; N502-F543 WeakPolarHBondContact ND2-CE1 3.31Å; N502-R548 PolarHBondContact ND2-O 2.92Å; N502-R548 WeakPolarHBondContact OD1-CA 3.26Å
503	L	94.9	Very high	98.1	Very high	64 Å²	64	34.7 Å²	34.7	34%	0.335	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.1	179.3	-62.4	172.7	0	0	0	113.8	S460 Y461 F501 P545	S460-L503 WeakPolarHBondContact OG-CA 3.49Å; Y461-L503 PolarHBondContact OH-O 3.38Å; F501-L503 PolarHBondContact O-N 2.87Å; L503-P545 HydrophobicContact CD1-CB 3.89Å
504	M	96.5	Very high	98.1	Very high	94 Å²	94	29.3 Å²	29.3	46%	0.463	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	12.9	-176.2	-69	-78.1	178.1	0	0	113.1	Y461 N502 P545 R548	Y461-M504 VanDerWaalsContact OH-CA 3.27Å; Y461-M504 WeakPolarHBondContact OH-CA 3.31Å; N502-M504 PolarHBondContact O-N 3.28Å; N502-M504 PolarHBondContact OD1-N 3.27Å; M504-P545 WeakPolarHBondContact CE-O 3.38Å; M504-R548 HydrophobicContact CB-CB 3.62Å
505	D	96.9	Very high	98.1	Very high	22 Å²	22	25 Å²	25	12%	0.118	12%	0.121	C	C	.	.			trans	-150.8	112.3	172.1	-171.8	-26.8	0	0	0	111.2	Y461 N502 K507 L508 R548	Y461-D505 PolarHBondContact OH-N 3.03Å; N502-D505 HydrophobicContact CB-CB 4.01Å; N502-D505 WeakPolarHBondContact ND2-CB 3.34Å; N502-D505 PolarHBondContact O-N 2.82Å; N502-D505 VanDerWaalsContact O-N 3.14Å; N502-D505 VanDerWaalsContact O-O 3.12Å; D505-K507 PolarHBondContact O-N 3.3Å; D505-K507 PolarHBondContact OD1-N 2.89Å; D505-L508 HydrophobicContact CB-CB 4.06Å; D505-L508 PolarHBondContact O-N 3.02Å; D505-R548 HydrophobicContact CB-CB 4.33Å; D505-R548 IonicContact OD2-CZ 3.6Å; D505-R548 IonicContact OD2-NE 2.67Å; D505-R548 PolarHBondContact OD2-NE 3.17Å; D505-R548 IonicContact OD2-NH2 2.72Å; D505-R548 PolarHBondContact OD2-NH2 3.25Å
506	P	96.4	Very high	98.1	Very high	43 Å²	43	22.3 Å²	22.3	28%	0.279	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.5	-175.3	25.1	-34.6	0	0	0	114.6	Y461	Y461-P506 HydrophobicContact CD1-CB 3.99Å; Y461-P506 HydrophobicContact CD1-CG 4.44Å; Y461-P506 VanDerWaalsContact CD2-CA 3.46Å; Y461-P506 HydrophobicContact CD2-CB 3.72Å; Y461-P506 HydrophobicContact CE1-CB 4.45Å; Y461-P506 HydrophobicContact CE2-CB 4.2Å; Y461-P506 HydrophobicContact CG-CB 3.59Å; Y461-P506 HydrophobicContact CG-CG 4.47Å
507	K	96.8	Very high	98.1	Very high	97 Å²	97	24.5 Å²	24.5	42%	0.422	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-24.7	-175.9	-64	178.4	-179.8	179.3	0	113.3	D505 S522 T523	D505-K507 PolarHBondContact O-N 3.3Å; D505-K507 PolarHBondContact OD1-N 2.89Å; K507-S522 CarbonylContact O-C 3.53Å; K507-S522 VanDerWaalsContact O-CA 3.27Å; K507-S522 WeakPolarHBondContact O-CA 3.34Å; K507-T523 WeakPolarHBondContact CA-OG1 3.5Å; K507-T523 PolarHBondContact O-N 3.32Å
508	L	98.3	Very high	98.1	Very high	26 Å²	26	22.5 Å²	22.5	14%	0.136	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	133.6	-170.6	-159.7	76.3	0	0	0	111	N502 D505 L520 W521 V529 F543 L565	N502-L508 HydrophobicContact CB-CB 3.89Å; N502-L508 WeakPolarHBondContact CB-O 3.39Å; N502-L508 PolarHBondContact N-O 2.96Å; N502-L508 WeakPolarHBondContact ND2-CD2 3.47Å; D505-L508 HydrophobicContact CB-CB 4.06Å; D505-L508 PolarHBondContact O-N 3.02Å; L508-L520 HydrophobicContact CD1-CB 4.4Å; L508-W521 WeakPolarHBondContact CA-O 3.39Å; L508-V529 HydrophobicContact CD1-CG2 3.98Å; L508-F543 HydrophobicContact CD2-CE1 3.78Å; L508-F543 HydrophobicContact CD2-CZ 3.79Å; L508-F543 HydrophobicContact CG-CZ 4.12Å; L508-L565 HydrophobicContact CD2-CD1 4.13Å
509	L	98.6	Very high	98.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	162.8	164.9	65.6	149.8	0	0	0	110.1	A467 V475 L477 Y489 V499 D500 F501 L520 W521 T523	A467-L509 HydrophobicContact CB-CD1 4.22Å; V475-L509 HydrophobicContact CG1-CD1 4.07Å; L477-L509 HydrophobicContact CD1-CD2 4.37Å; L477-L509 HydrophobicContact CD2-CD1 3.79Å; L477-L509 HydrophobicContact CD2-CD2 4.37Å; Y489-L509 HydrophobicContact CE2-CD2 4.45Å; V499-L509 HydrophobicContact CG2-CD1 3.78Å; D500-L509 CarbonylContact O-C 3.56Å; D500-L509 VanDerWaalsContact O-CA 3.25Å; D500-L509 WeakPolarHBondContact O-CA 3.02Å; D500-L509 WeakPolarHBondContact O-CB 3.35Å; F501-L509 HydrophobicContact CD1-CB 3.84Å; F501-L509 HydrophobicContact CE1-CB 4.12Å; F501-L509 HydrophobicContact CE1-CD2 4.07Å; F501-L509 HydrophobicContact CE1-CG 4.49Å; F501-L509 HydrophobicContact CG-CB 4.36Å; L509-L520 WeakPolarHBondContact O-CA 3.4Å; L509-W521 HydrophobicContact CD2-CB 3.89Å; L509-W521 HydrophobicContact CG-CB 3.95Å; L509-W521 HydrophobicContact CG-CG 4.38Å; L509-W521 PolarHBondContact N-O 2.64Å; L509-W521 PolarHBondContact O-N 3.01Å; L509-T523 HydrophobicContact CD2-CG2 4.14Å
510	A	98.8	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.1	-179.5	0	0	0	0	0	110.9	V499 D500 K519 L520 V541 F543 L551	V499-A510 CarbonylContact C-O 3.53Å; V499-A510 VanDerWaalsContact CA-O 3.29Å; V499-A510 WeakPolarHBondContact CA-O 3.41Å; D500-A510 PolarHBondContact N-O 3.32Å; D500-A510 PolarHBondContact O-N 2.68Å; A510-K519 CarbonylContact C-O 3.5Å; A510-K519 VanDerWaalsContact CA-O 3.25Å; A510-K519 WeakPolarHBondContact CA-O 3.49Å; A510-L520 HydrophobicContact CB-CD2 3.7Å; A510-V541 HydrophobicContact CB-CG2 4.43Å; A510-F543 HydrophobicContact CB-CD2 4.45Å; A510-F543 HydrophobicContact CB-CE2 3.5Å; A510-F543 VanDerWaalsContact CB-CE2 3.5Å; A510-F543 HydrophobicContact CB-CZ 3.8Å; A510-L551 HydrophobicContact CB-CD1 3.47Å; A510-L551 VanDerWaalsContact CB-CD1 3.47Å
511	S	98.8	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152	175.2	62.8	0	0	0	0	112.3	H492 S498 V518 K519 W521	H492-S511 PolarHBondContact NE2-OG 2.85Å; S498-S511 VanDerWaalsContact O-CA 3.23Å; S498-S511 WeakPolarHBondContact O-CA 3.4Å; S511-V518 CarbonylContact O-C 3.59Å; S511-V518 VanDerWaalsContact O-CA 3.24Å; S511-V518 WeakPolarHBondContact O-CA 3.49Å; S511-K519 PolarHBondContact N-O 3.06Å; S511-K519 PolarHBondContact O-N 3.39Å; S511-W521 PolarHBondContact OG-NE1 3.07Å
512	G	98.8	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.8	179.8	0	0	0	0	0	112.9	C496 W497 S498 V538	C496-G512 CarbonylContact C-O 3.53Å; C496-G512 PolarHBondContact SG-O 2.86Å; C496-G512 VanDerWaalsContact SG-O 3.33Å; W497-G512 PolarHBondContact N-O 3Å; S498-G512 PolarHBondContact O-N 3.07Å; G512-V538 CarbonylContact C-O 3.55Å
513	S	98.8	Very high	98	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	162.9	-168.3	167.5	0	0	0	0	114.8	H492 K494 R495 D515 A516 K517 V538	H492-S513 VanDerWaalsContact ND1-CB 3.33Å; H492-S513 WeakPolarHBondContact ND1-CB 3.14Å; K494-S513 PolarHBondContact O-OG 3.06Å; R495-S513 VanDerWaalsContact O-CA 3.32Å; R495-S513 WeakPolarHBondContact O-CA 3.35Å; R495-S513 WeakPolarHBondContact O-CB 3.28Å; R495-S513 PolarHBondContact O-OG 2.83Å; S513-D515 VanDerWaalsContact CB-OD1 3.25Å; S513-D515 WeakPolarHBondContact CB-OD1 3.37Å; S513-D515 PolarHBondContact O-N 2.86Å; S513-D515 PolarHBondContact OG-N 3.5Å; S513-D515 PolarHBondContact OG-OD1 2.86Å; S513-A516 PolarHBondContact O-N 2.89Å; S513-A516 VanDerWaalsContact O-N 3.12Å; S513-K517 PolarHBondContact N-O 3.02Å; S513-V538 PolarHBondContact O-N 2.83Å
514	D	98.7	Very high	98.1	Very high	22 Å²	22	26.7 Å²	26.7	12%	0.118	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-10.9	165.1	-81	-30.9	0	0	0	113.2	K494 R495 W497 A516 N537	K494-D514 HydrophobicContact CB-CB 3.81Å; K494-D514 HydrophobicContact CD-CB 4.07Å; K494-D514 WeakPolarHBondContact CD-O 3.25Å; K494-D514 PolarHBondContact NZ-O 2.92Å; R495-D514 IonicContact CZ-OD2 2.75Å; R495-D514 IonicContact NH1-OD2 2.72Å; R495-D514 PolarHBondContact NH1-OD2 3.45Å; R495-D514 PolarHBondContact O-N 3.17Å; W497-D514 PolarHBondContact NE1-OD1 3.11Å; W497-D514 PolarHBondContact NE1-OD2 3.19Å; D514-A516 PolarHBondContact O-N 2.7Å; D514-N537 PolarHBondContact OD1-ND2 3.46Å
515	D	98.3	Very high	98.1	Very high	14 Å²	14	26.4 Å²	26.4	8%	0.075	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	0.2	170.1	74.5	2.9	0	0	0	114.5	H492 E493 K494 S513 K517	H492-D515 VanDerWaalsContact CA-OD2 3.29Å; H492-D515 WeakPolarHBondContact CA-OD2 3.02Å; H492-D515 IonicContact CE1-OD1 2.65Å; H492-D515 IonicContact CE1-OD2 3.76Å; H492-D515 IonicContact CG-OD2 2.71Å; H492-D515 IonicContact ND1-OD1 2.62Å; H492-D515 PolarHBondContact ND1-OD1 3.46Å; H492-D515 IonicContact ND1-OD2 2.72Å; H492-D515 PolarHBondContact ND1-OD2 2.86Å; E493-D515 HydrophobicContact CB-CB 4.12Å; E493-D515 PolarHBondContact N-OD2 2.75Å; K494-D515 HydrophobicContact CB-CB 4.43Å; K494-D515 HydrophobicContact CG-CB 4.33Å; S513-D515 VanDerWaalsContact CB-OD1 3.25Å; S513-D515 WeakPolarHBondContact CB-OD1 3.37Å; S513-D515 PolarHBondContact O-N 2.86Å; S513-D515 PolarHBondContact OG-N 3.5Å; S513-D515 PolarHBondContact OG-OD1 2.86Å; D515-K517 VanDerWaalsContact C-N 3.29Å; D515-K517 PolarHBondContact O-N 3.35Å; D515-K517 VanDerWaalsContact OD1-CB 3.32Å; D515-K517 WeakPolarHBondContact OD1-CB 3.21Å; D515-K517 PolarHBondContact OD1-N 2.97Å
516	A	98.3	Very high	98.1	Very high	21 Å²	21	30.5 Å²	30.5	17%	0.174	16%	0.163	C	C	.	.	S	Bend	trans	65.1	22.4	-177.6	0	0	0	0	0	114.9	S513 D514 A534 A536	S513-A516 PolarHBondContact O-N 2.89Å; S513-A516 VanDerWaalsContact O-N 3.12Å; D514-A516 PolarHBondContact O-N 2.7Å; A516-A534 WeakPolarHBondContact O-CA 3.43Å; A516-A534 WeakPolarHBondContact O-CB 3.32Å; A516-A534 PolarHBondContact O-N 2.98Å; A516-A536 WeakPolarHBondContact CB-O 3.37Å
517	K	98.4	Very high	98.1	Very high	45 Å²	45	33.8 Å²	33.8	20%	0.196	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142	174.6	-60	166.8	-174.6	174.4	0	110.6	H492 E493 S513 D515 I532	H492-K517 PolarHBondContact CE1-O 3.23Å; E493-K517 IonicContact OE1-NZ 2.62Å; E493-K517 PolarHBondContact OE1-NZ 2.91Å; S513-K517 PolarHBondContact N-O 3.02Å; D515-K517 VanDerWaalsContact C-N 3.29Å; D515-K517 PolarHBondContact O-N 3.35Å; D515-K517 VanDerWaalsContact OD1-CB 3.32Å; D515-K517 WeakPolarHBondContact OD1-CB 3.21Å; D515-K517 PolarHBondContact OD1-N 2.97Å; K517-I532 WeakPolarHBondContact CA-O 3.4Å
518	V	98.8	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.4	154.6	179.6	0	0	0	0	107.2	S511 S531 I532 V538 V541 L551 F553	S511-V518 CarbonylContact O-C 3.59Å; S511-V518 VanDerWaalsContact O-CA 3.24Å; S511-V518 WeakPolarHBondContact O-CA 3.49Å; V518-S531 CarbonylContact O-C 3.59Å; V518-S531 VanDerWaalsContact O-CA 3.23Å; V518-S531 WeakPolarHBondContact O-CA 3.44Å; V518-I532 HydrophobicContact CB-CB 4.2Å; V518-I532 HydrophobicContact CB-CG1 4.48Å; V518-I532 PolarHBondContact N-O 2.64Å; V518-I532 PolarHBondContact O-N 2.73Å; V518-V538 HydrophobicContact CG2-CG1 4.06Å; V518-V538 HydrophobicContact CG2-CG2 3.96Å; V518-V541 HydrophobicContact CG1-CG1 4.12Å; V518-V541 HydrophobicContact CG2-CG1 4.12Å; V518-L551 HydrophobicContact CG1-CD2 4.41Å; V518-F553 HydrophobicContact CG2-CB 4.35Å; V518-F553 HydrophobicContact CG2-CD1 3.73Å; V518-F553 HydrophobicContact CG2-CD2 4.33Å; V518-F553 HydrophobicContact CG2-CE1 3.91Å; V518-F553 HydrophobicContact CG2-CG 3.93Å; V518-F553 HydrophobicContact CG2-CZ 4.31Å
519	K	98.7	Very high	98.2	Very high	17 Å²	17	32.7 Å²	32.7	7%	0.074	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	141	173.5	-75.1	179.2	175	-80.7	0	110.3	E491 A510 S511 W521	E491-K519 HydrophobicContact CB-CD 4.03Å; E491-K519 VanDerWaalsContact O-CE 3.25Å; E491-K519 WeakPolarHBondContact O-CE 3.44Å; E491-K519 IonicContact OE2-NZ 2.85Å; E491-K519 PolarHBondContact OE2-NZ 3.39Å; A510-K519 CarbonylContact C-O 3.5Å; A510-K519 VanDerWaalsContact CA-O 3.25Å; A510-K519 WeakPolarHBondContact CA-O 3.49Å; S511-K519 PolarHBondContact N-O 3.06Å; S511-K519 PolarHBondContact O-N 3.39Å; K519-W521 HydrophobicContact CB-CH2 4.35Å; K519-W521 HydrophobicContact CB-CZ2 3.62Å; K519-W521 HydrophobicContact CD-CH2 3.6Å; K519-W521 HydrophobicContact CD-CZ2 3.52Å; K519-W521 HydrophobicContact CG-CZ2 4.2Å
520	L	98.6	Very high	98.1	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.4	167.8	-60.8	-172.7	0	0	0	109.4	L508 L509 A510 S528 V529 A530 F543 L551 L565	L508-L520 HydrophobicContact CD1-CB 4.4Å; L509-L520 WeakPolarHBondContact O-CA 3.4Å; A510-L520 HydrophobicContact CB-CD2 3.7Å; L520-S528 CarbonylContact O-C 3.58Å; L520-S528 WeakPolarHBondContact O-CA 3.44Å; L520-S528 WeakPolarHBondContact O-CB 3.35Å; L520-V529 HydrophobicContact CB-CG2 3.65Å; L520-V529 PolarHBondContact O-N 3.25Å; L520-A530 HydrophobicContact CB-CB 4.46Å; L520-A530 HydrophobicContact CD1-CB 4.13Å; L520-A530 HydrophobicContact CG-CB 4.43Å; L520-A530 PolarHBondContact N-O 3.14Å; L520-F543 HydrophobicContact CD2-CZ 4.29Å; L520-L551 HydrophobicContact CD2-CD1 4.25Å; L520-L565 HydrophobicContact CD1-CB 4.28Å; L520-L565 HydrophobicContact CD1-CD1 3.86Å; L520-L565 HydrophobicContact CD1-CD2 4.1Å; L520-L565 HydrophobicContact CD1-CG 4.28Å; L520-L565 HydrophobicContact CD2-CD1 4.06Å; L520-L565 HydrophobicContact CD2-CD2 4.3Å
521	W	98.6	Very high	98.1	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	-124.5	151.1	179	-41.8	89.9	0	0	0	110.3	Y489 E491 L508 L509 S511 K519	Y489-W521 HydrophobicContact CD1-CD2 4.15Å; Y489-W521 AromaticContact CD1-CE3 3.5Å; Y489-W521 HydrophobicContact CD1-CE3 3.5Å; Y489-W521 VanDerWaalsContact CD1-CE3 3.5Å; Y489-W521 AromaticContact CD1-CZ3 3.92Å; Y489-W521 HydrophobicContact CD1-CZ3 3.92Å; Y489-W521 HydrophobicContact CD2-CB 4.35Å; Y489-W521 HydrophobicContact CD2-CD2 4.01Å; Y489-W521 HydrophobicContact CD2-CE3 4.19Å; Y489-W521 HydrophobicContact CD2-CG 4.1Å; Y489-W521 HydrophobicContact CE1-CB 4.34Å; Y489-W521 HydrophobicContact CE1-CE3 4.09Å; Y489-W521 HydrophobicContact CE2-CB 3.93Å; Y489-W521 HydrophobicContact CE2-CD2 4.47Å; Y489-W521 HydrophobicContact CE2-CG 4.16Å; Y489-W521 AromaticContact CG-CD2 3.83Å; Y489-W521 HydrophobicContact CG-CD2 3.83Å; Y489-W521 AromaticContact CG-CE3 3.55Å; Y489-W521 HydrophobicContact CG-CE3 3.55Å; Y489-W521 HydrophobicContact CG-CG 4.36Å; Y489-W521 HydrophobicContact CG-CH2 4.42Å; Y489-W521 AromaticContact CG-CZ3 3.89Å; Y489-W521 HydrophobicContact CG-CZ3 3.89Å; E491-W521 HydrophobicContact CB-CH2 3.83Å; E491-W521 HydrophobicContact CB-CZ3 4.37Å; E491-W521 HydrophobicContact CG-CH2 3.82Å; E491-W521 HydrophobicContact CG-CZ3 3.86Å; L508-W521 WeakPolarHBondContact CA-O 3.39Å; L509-W521 HydrophobicContact CD2-CB 3.89Å; L509-W521 HydrophobicContact CG-CB 3.95Å; L509-W521 HydrophobicContact CG-CG 4.38Å; L509-W521 PolarHBondContact N-O 2.64Å; L509-W521 PolarHBondContact O-N 3.01Å; S511-W521 PolarHBondContact OG-NE1 3.07Å; K519-W521 HydrophobicContact CB-CH2 4.35Å; K519-W521 HydrophobicContact CB-CZ2 3.62Å; K519-W521 HydrophobicContact CD-CH2 3.6Å; K519-W521 HydrophobicContact CD-CZ2 3.52Å; K519-W521 HydrophobicContact CG-CZ2 4.2Å
522	S	98.1	Very high	98	Very high	19 Å²	19	37 Å²	37	13%	0.133	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.5	171	179.4	0	0	0	0	108.7	Y489 K507 N524 L525	Y489-S522 PolarHBondContact OH-O 3.43Å; K507-S522 CarbonylContact O-C 3.53Å; K507-S522 VanDerWaalsContact O-CA 3.27Å; K507-S522 WeakPolarHBondContact O-CA 3.34Å; S522-N524 PolarHBondContact O-N 3.49Å; S522-L525 PolarHBondContact O-N 3.04Å
523	T	97.6	Very high	97.9	Very high	29 Å²	29	44 Å²	44	18%	0.178	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-25	178	56.2	0	0	0	0	113.6	L465 L477 K487 F501 K507 L509	L465-T523 HydrophobicContact CD2-CG2 4.24Å; L477-T523 HydrophobicContact CD1-CG2 3.79Å; K487-T523 VanDerWaalsContact CE-O 3.26Å; K487-T523 WeakPolarHBondContact CE-O 3.15Å; F501-T523 HydrophobicContact CE1-CG2 4.24Å; K507-T523 WeakPolarHBondContact CA-OG1 3.5Å; K507-T523 PolarHBondContact O-N 3.32Å; L509-T523 HydrophobicContact CD2-CG2 4.14Å
524	N	96.3	Very high	97.8	Very high	102 Å²	102	44.8 Å²	44.8	55%	0.545	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.8	178.3	-77.7	52.2	0	0	0	114.6	S522	S522-N524 PolarHBondContact O-N 3.49Å
525	L	97.4	Very high	97.5	Very high	88 Å²	88	52.7 Å²	52.7	46%	0.461	29%	0.286	S	S	.	.			trans	-127.4	164.6	-174.7	-62	174.7	0	0	0	110.5	K487 Y489 S522 V529	K487-L525 WeakPolarHBondContact CE-O 3.39Å; Y489-L525 WeakPolarHBondContact CE1-O 3.42Å; S522-L525 PolarHBondContact O-N 3.04Å; L525-V529 HydrophobicContact CD1-CG1 3.64Å
526	D	97.1	Very high	97.5	Very high	109 Å²	109	53.1 Å²	53.1	58%	0.583	29%	0.292	S	S	*	.	S	Bend	trans	-100.9	-16.6	-178.9	-61.8	-71.4	0	0	0	113.6	K487 Y489	K487-D526 VanDerWaalsContact NZ-CG 3.34Å; K487-D526 IonicContact NZ-OD1 2.67Å; K487-D526 PolarHBondContact NZ-OD1 2.9Å; K487-D526 IonicContact NZ-OD2 2.69Å; K487-D526 PolarHBondContact NZ-OD2 2.93Å; Y489-D526 WeakPolarHBondContact CD1-O 3.32Å
527	N	97.4	Very high	97.5	Very high	112 Å²	112	55 Å²	55	60%	0.599	30%	0.299	S	S	*	.	S	Bend	trans	-117.7	163.4	-178.8	-59.1	-33.5	0	0	0	111.1	E491	E491-N527 WeakPolarHBondContact OE1-CA 3.49Å; E491-N527 WeakPolarHBondContact OE1-CB 3.29Å
528	S	98	Very high	97.5	Very high	30 Å²	30	52.9 Å²	52.9	21%	0.21	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	140.8	175.7	64.3	0	0	0	0	112	E491 L520	E491-S528 PolarHBondContact OE1-N 3.02Å; E491-S528 WeakPolarHBondContact OE2-CB 3.28Å; E491-S528 PolarHBondContact OE2-OG 3.28Å; L520-S528 CarbonylContact O-C 3.58Å; L520-S528 WeakPolarHBondContact O-CA 3.44Å; L520-S528 WeakPolarHBondContact O-CB 3.35Å
529	V	97.9	Very high	97.5	Very high	69 Å²	69	53.5 Å²	53.5	42%	0.418	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-21.5	179.8	-62.1	0	0	0	0	112.8	L508 L520 L525	L508-V529 HydrophobicContact CD1-CG2 3.98Å; L520-V529 HydrophobicContact CB-CG2 3.65Å; L520-V529 PolarHBondContact O-N 3.25Å; L525-V529 HydrophobicContact CD1-CG1 3.64Å
530	A	97.1	Very high	97.5	Very high	34 Å²	34	52.9 Å²	52.9	28%	0.281	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	160.5	171.8	0	0	0	0	0	110.3	L520	L520-A530 HydrophobicContact CB-CB 4.46Å; L520-A530 HydrophobicContact CD1-CB 4.13Å; L520-A530 HydrophobicContact CG-CB 4.43Å; L520-A530 PolarHBondContact N-O 3.14Å
531	S	97.4	Very high	97.5	Very high	54 Å²	54	52.7 Å²	52.7	38%	0.378	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.9	166.5	56	0	0	0	0	111.6	V518	V518-S531 CarbonylContact O-C 3.59Å; V518-S531 VanDerWaalsContact O-CA 3.23Å; V518-S531 WeakPolarHBondContact O-CA 3.44Å
532	I	98.2	Very high	97.5	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.015	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.1	169.2	-43.8	-178.8	0	0	0	107.2	K517 V518 F553 Y563 L565 T568	K517-I532 WeakPolarHBondContact CA-O 3.4Å; V518-I532 HydrophobicContact CB-CB 4.2Å; V518-I532 HydrophobicContact CB-CG1 4.48Å; V518-I532 PolarHBondContact N-O 2.64Å; V518-I532 PolarHBondContact O-N 2.73Å; I532-F553 HydrophobicContact CG2-CE1 4.5Å; I532-Y563 HydrophobicContact CD1-CD1 4.14Å; I532-Y563 HydrophobicContact CD1-CD2 4.39Å; I532-Y563 HydrophobicContact CD1-CG 3.99Å; I532-Y563 HydrophobicContact CG2-CD1 4.28Å; I532-Y563 HydrophobicContact CG2-CE1 3.76Å; I532-Y563 HydrophobicContact CG2-CE2 4.05Å; I532-L565 HydrophobicContact CD1-CD2 3.97Å; I532-T568 HydrophobicContact CD1-CG2 4.02Å; I532-T568 HydrophobicContact CG1-CG2 3.75Å
533	E	97	Very high	97.5	Very high	146 Å²	146	53.3 Å²	53.3	68%	0.682	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.6	174.8	-61.4	-168.9	146.4	0	0	109.8
534	A	96.1	Very high	97.5	Very high	17 Å²	17	52 Å²	52	14%	0.14	28%	0.283	C	S	.	.			trans	-91.9	163.5	174.9	0	0	0	0	0	110.8	A516 A536 V538 F553	A516-A534 WeakPolarHBondContact O-CA 3.43Å; A516-A534 WeakPolarHBondContact O-CB 3.32Å; A516-A534 PolarHBondContact O-N 2.98Å; A534-A536 VanDerWaalsContact C-N 3.3Å; A534-A536 WeakPolarHBondContact CB-O 3.45Å; A534-A536 PolarHBondContact O-N 3.26Å; A534-V538 HydrophobicContact CB-CG2 3.71Å; A534-F553 HydrophobicContact CB-CE2 3.8Å; A534-F553 HydrophobicContact CB-CZ 4.06Å
535	K	92.9	Very high	97.4	Very high	188 Å²	188	49.3 Å²	49.3	82%	0.817	27%	0.271	S	S	*	.	S	Bend	trans	-79.6	-13.6	-178.7	-63.6	-176.2	179.7	-178.2	0	113.9
536	A	97.7	Very high	97.3	Very high	24 Å²	24	48.9 Å²	48.9	20%	0.198	28%	0.276	C	S	.	.	S	Bend	trans	-158.6	178.1	177.6	0	0	0	0	0	109.3	A516 A534 V538 A556 D557	A516-A536 WeakPolarHBondContact CB-O 3.37Å; A534-A536 VanDerWaalsContact C-N 3.3Å; A534-A536 WeakPolarHBondContact CB-O 3.45Å; A534-A536 PolarHBondContact O-N 3.26Å; A536-V538 PolarHBondContact O-N 3.42Å; A536-A556 HydrophobicContact CB-CB 3.9Å; A536-D557 HydrophobicContact CB-CB 4.4Å
537	N	98.4	Very high	97.3	Very high	61 Å²	61	44.9 Å²	44.9	33%	0.326	26%	0.256	S	S	.	.			trans	-47.8	136.2	179.3	-52.4	33.5	0	0	0	112	D514 A556	D514-N537 PolarHBondContact OD1-ND2 3.46Å; N537-A556 HydrophobicContact CB-CB 4.01Å; N537-A556 WeakPolarHBondContact O-CB 3.43Å; N537-A556 PolarHBondContact O-N 2.66Å
538	V	98.7	Very high	97.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.5	176.6	-177.3	0	0	0	0	109.1	G512 S513 V518 A534 A536 V541 F553	G512-V538 CarbonylContact C-O 3.55Å; S513-V538 PolarHBondContact O-N 2.83Å; V518-V538 HydrophobicContact CG2-CG1 4.06Å; V518-V538 HydrophobicContact CG2-CG2 3.96Å; A534-V538 HydrophobicContact CB-CG2 3.71Å; A536-V538 PolarHBondContact O-N 3.42Å; V538-V541 HydrophobicContact CG1-CG1 3.94Å; V538-F553 HydrophobicContact CG1-CB 3.98Å; V538-F553 HydrophobicContact CG1-CD2 3.98Å; V538-F553 HydrophobicContact CG1-CG 4.27Å; V538-F553 HydrophobicContact CG2-CD2 4.15Å; V538-F553 HydrophobicContact CG2-CE2 4.22Å
539	C	98.5	Very high	97.3	Very high	12 Å²	12	47.4 Å²	47.4	8%	0.081	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-25.9	-175	-59.7	0	0	0	0	113	W497 G554 V582 F625	W497-C539 VanDerWaalsContact CB-O 3.27Å; W497-C539 WeakPolarHBondContact CB-O 3.29Å; C539-G554 PolarHBondContact N-O 3.05Å; C539-V582 VanDerWaalsContact CB-O 3.32Å; C539-V582 WeakPolarHBondContact CB-O 3.36Å; C539-F625 HydrophobicContact CB-CE1 4.17Å; C539-F625 HydrophobicContact CB-CZ 4.15Å
540	C	98.5	Very high	97.3	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.034	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	146.8	179.4	55.1	0	0	0	0	112	F553 G554 Y584 A585	C540-F553 CarbonylContact O-C 3.55Å; C540-F553 WeakPolarHBondContact O-CA 3.48Å; C540-F553 WeakPolarHBondContact O-CB 3.4Å; C540-G554 PolarHBondContact O-N 2.82Å; C540-G554 WeakPolarHBondContact SG-CA 3.34Å; C540-G554 PolarHBondContact SG-N 3.36Å; C540-G554 VanDerWaalsContact SG-N 3.35Å; C540-Y584 WeakPolarHBondContact SG-CA 3.39Å; C540-A585 PolarHBondContact SG-N 3.15Å
541	V	98.7	Very high	97.3	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.4	171	-62.2	0	0	0	0	109.8	S498 D500 A510 V518 V538 F553	S498-V541 PolarHBondContact OG-N 3.24Å; S498-V541 PolarHBondContact OG-O 3.43Å; D500-V541 HydrophobicContact CB-CG2 4.29Å; A510-V541 HydrophobicContact CB-CG2 4.43Å; V518-V541 HydrophobicContact CG1-CG1 4.12Å; V518-V541 HydrophobicContact CG2-CG1 4.12Å; V538-V541 HydrophobicContact CG1-CG1 3.94Å; V541-F553 HydrophobicContact CG1-CB 3.98Å
542	K	98.6	Very high	97.4	Very high	33 Å²	33	42 Å²	42	14%	0.143	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	137	170.6	-156.8	78.7	-174.7	82	0	111.6	D500 A552 K586 F587	D500-K542 IonicContact OD1-NZ 3.92Å; D500-K542 PolarHBondContact OD1-NZ 3.25Å; D500-K542 WeakPolarHBondContact OD2-CA 3.42Å; D500-K542 VanDerWaalsContact OD2-CD 3.24Å; D500-K542 WeakPolarHBondContact OD2-CD 3.5Å; D500-K542 IonicContact OD2-NZ 3.54Å; D500-K542 PolarHBondContact OD2-NZ 2.77Å; K542-A552 PolarHBondContact N-O 3.44Å; K542-A552 PolarHBondContact O-N 3.45Å; K542-K586 HydrophobicContact CD-CD 4.04Å; K542-F587 HydrophobicContact CB-CD2 4.32Å; K542-F587 HydrophobicContact CB-CE2 4.35Å; K542-F587 HydrophobicContact CG-CD2 4.18Å
543	F	98.5	Very high	97.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	150	168	-78.8	-85.3	0	0	0	112.3	D500 F501 N502 L508 A510 L520 L551 L565 F587	D500-F543 HydrophobicContact CB-CD2 4.31Å; D500-F543 WeakPolarHBondContact O-CE2 2.81Å; D500-F543 PolarHBondContact OD2-N 2.92Å; F501-F543 WeakPolarHBondContact O-CD2 3.36Å; N502-F543 HydrophobicContact CB-CD1 3.83Å; N502-F543 HydrophobicContact CB-CD2 3.99Å; N502-F543 HydrophobicContact CB-CE1 3.79Å; N502-F543 HydrophobicContact CB-CE2 3.94Å; N502-F543 HydrophobicContact CB-CG 3.92Å; N502-F543 HydrophobicContact CB-CZ 3.85Å; N502-F543 VanDerWaalsContact CG-CD1 3.5Å; N502-F543 WeakPolarHBondContact ND2-CE1 3.31Å; L508-F543 HydrophobicContact CD2-CE1 3.78Å; L508-F543 HydrophobicContact CD2-CZ 3.79Å; L508-F543 HydrophobicContact CG-CZ 4.12Å; A510-F543 HydrophobicContact CB-CD2 4.45Å; A510-F543 HydrophobicContact CB-CE2 3.5Å; A510-F543 VanDerWaalsContact CB-CE2 3.5Å; A510-F543 HydrophobicContact CB-CZ 3.8Å; L520-F543 HydrophobicContact CD2-CZ 4.29Å; F543-L551 HydrophobicContact CD1-CD1 4.5Å; F543-L551 HydrophobicContact CE1-CD1 4.19Å; F543-L551 HydrophobicContact CE2-CD1 4.26Å; F543-L551 HydrophobicContact CZ-CD1 4.06Å; F543-L565 HydrophobicContact CD1-CD1 4.48Å; F543-L565 HydrophobicContact CE1-CD1 3.59Å; F543-L565 HydrophobicContact CZ-CD1 4.3Å; F543-F587 WeakPolarHBondContact O-CD2 3.48Å; F543-F587 WeakPolarHBondContact O-CE2 3.42Å
544	S	97.3	Very high	97.4	Very high	1 Å²	1	35 Å²	35	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	135	170.8	179.5	0	0	0	0	110.9	S546 H550	S544-S546 PolarHBondContact O-N 3.39Å; S544-S546 VanDerWaalsContact O-N 3.14Å; S544-S546 PolarHBondContact OG-N 2.71Å; S544-H550 WeakPolarHBondContact CB-O 3.31Å; S544-H550 PolarHBondContact N-O 3.42Å
545	P	94.5	Very high	97.5	Very high	45 Å²	45	34.1 Å²	34.1	29%	0.292	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-2.6	174.8	31.5	-36.9	0	0	0	113.5	L503 M504 F587	L503-P545 HydrophobicContact CD1-CB 3.89Å; M504-P545 WeakPolarHBondContact CE-O 3.38Å; P545-F587 VanDerWaalsContact CD-CB 3.49Å; P545-F587 HydrophobicContact CG-CB 3.98Å; P545-F587 HydrophobicContact CG-CG 4.47Å
546	S	95.4	Very high	97.8	Very high	80 Å²	80	26.5 Å²	26.5	56%	0.559	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.6	-1.5	-175	-51.9	0	0	0	0	114.2	S544 G590	S544-S546 PolarHBondContact O-N 3.39Å; S544-S546 VanDerWaalsContact O-N 3.14Å; S544-S546 PolarHBondContact OG-N 2.71Å; S546-G590 VanDerWaalsContact OG-CA 3.24Å; S546-G590 WeakPolarHBondContact OG-CA 3.25Å
547	S	96.7	Very high	97.8	Very high	25 Å²	25	27.5 Å²	27.5	18%	0.175	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	121.3	177.5	173.9	0	0	0	0	111.8	Y549 H550	S547-Y549 PolarHBondContact O-N 3.28Å; S547-Y549 PolarHBondContact OG-N 3.28Å; S547-H550 PolarHBondContact O-N 2.82Å; S547-H550 VanDerWaalsContact O-N 3.15Å
548	R	96.9	Very high	97.7	Very high	104 Å²	104	28.4 Å²	28.4	39%	0.392	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	-14	173.9	70.4	-172.2	-75.4	-148.1	-1.5	114.4	N502 M504 D505	N502-R548 PolarHBondContact ND2-O 2.92Å; N502-R548 WeakPolarHBondContact OD1-CA 3.26Å; M504-R548 HydrophobicContact CB-CB 3.62Å; D505-R548 HydrophobicContact CB-CB 4.33Å; D505-R548 IonicContact OD2-CZ 3.6Å; D505-R548 IonicContact OD2-NE 2.67Å; D505-R548 PolarHBondContact OD2-NE 3.17Å; D505-R548 IonicContact OD2-NH2 2.72Å; D505-R548 PolarHBondContact OD2-NH2 3.25Å
549	Y	97.4	Very high	97.7	Very high	91 Å²	91	29.1 Å²	29.1	36%	0.357	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-4.5	-178.3	-54	-65.5	0	0	0	113.3	S547 D564 L565 R566	S547-Y549 PolarHBondContact O-N 3.28Å; S547-Y549 PolarHBondContact OG-N 3.28Å; Y549-D564 CarbonylContact O-C 3.56Å; Y549-D564 WeakPolarHBondContact O-CA 3.5Å; Y549-L565 WeakPolarHBondContact O-CG 3.26Å; Y549-L565 PolarHBondContact O-N 2.94Å; Y549-R566 HydrophobicContact CD1-CG 3.77Å; Y549-R566 HydrophobicContact CE1-CG 4.32Å; Y549-R566 HydrophobicContact CG-CG 4Å
550	H	98	Very high	97.6	Very high	43 Å²	43	28.5 Å²	28.5	20%	0.199	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.2	-176.2	-63.8	173.6	0	0	0	111.3	S544 S547 Y562 Y563	S544-H550 WeakPolarHBondContact CB-O 3.31Å; S544-H550 PolarHBondContact N-O 3.42Å; S547-H550 PolarHBondContact O-N 2.82Å; S547-H550 VanDerWaalsContact O-N 3.15Å; H550-Y562 HydrophobicContact CB-CE2 3.92Å; H550-Y562 AromaticContact ND1-CZ 3.92Å; H550-Y562 PolarHBondContact ND1-OH 3.37Å; H550-Y563 WeakPolarHBondContact CA-O 3.46Å
551	L	98.3	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	137.5	-179.4	-178.1	148.6	0	0	0	110.1	A510 V518 L520 F543 F553 Y562 Y563 L565	A510-L551 HydrophobicContact CB-CD1 3.47Å; A510-L551 VanDerWaalsContact CB-CD1 3.47Å; V518-L551 HydrophobicContact CG1-CD2 4.41Å; L520-L551 HydrophobicContact CD2-CD1 4.25Å; F543-L551 HydrophobicContact CD1-CD1 4.5Å; F543-L551 HydrophobicContact CE1-CD1 4.19Å; F543-L551 HydrophobicContact CE2-CD1 4.26Å; F543-L551 HydrophobicContact CZ-CD1 4.06Å; L551-F553 HydrophobicContact CD2-CB 4.24Å; L551-F553 HydrophobicContact CD2-CD1 3.85Å; L551-Y562 WeakPolarHBondContact O-CA 3.35Å; L551-Y562 WeakPolarHBondContact O-CD2 3.36Å; L551-Y563 PolarHBondContact N-O 3.49Å; L551-Y563 VanDerWaalsContact N-O 3.14Å; L551-Y563 PolarHBondContact O-N 3.43Å; L551-L565 HydrophobicContact CB-CD1 4.34Å; L551-L565 HydrophobicContact CB-CD2 3.98Å; L551-L565 HydrophobicContact CB-CG 4.33Å; L551-L565 HydrophobicContact CD1-CD2 4.48Å
552	A	98.4	Very high	97.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.7	169.6	0	0	0	0	0	110.2	K542 V560 H561 Y562 F587 I593	K542-A552 PolarHBondContact N-O 3.44Å; K542-A552 PolarHBondContact O-N 3.45Å; A552-V560 HydrophobicContact CB-CG1 4.32Å; A552-H561 CarbonylContact C-O 3.58Å; A552-H561 WeakPolarHBondContact CA-O 2.95Å; A552-Y562 HydrophobicContact CB-CD2 4.19Å; A552-F587 HydrophobicContact CB-CE2 3.74Å; A552-F587 HydrophobicContact CB-CZ 3.66Å; A552-I593 HydrophobicContact CB-CD1 4.06Å
553	F	98.5	Very high	97.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141	170.6	67.9	-102.5	0	0	0	112.8	V518 I532 A534 V538 C540 V541 L551 C555 V560 H561 Y563	V518-F553 HydrophobicContact CG2-CB 4.35Å; V518-F553 HydrophobicContact CG2-CD1 3.73Å; V518-F553 HydrophobicContact CG2-CD2 4.33Å; V518-F553 HydrophobicContact CG2-CE1 3.91Å; V518-F553 HydrophobicContact CG2-CG 3.93Å; V518-F553 HydrophobicContact CG2-CZ 4.31Å; I532-F553 HydrophobicContact CG2-CE1 4.5Å; A534-F553 HydrophobicContact CB-CE2 3.8Å; A534-F553 HydrophobicContact CB-CZ 4.06Å; V538-F553 HydrophobicContact CG1-CB 3.98Å; V538-F553 HydrophobicContact CG1-CD2 3.98Å; V538-F553 HydrophobicContact CG1-CG 4.27Å; V538-F553 HydrophobicContact CG2-CD2 4.15Å; V538-F553 HydrophobicContact CG2-CE2 4.22Å; C540-F553 CarbonylContact O-C 3.55Å; C540-F553 WeakPolarHBondContact O-CA 3.48Å; C540-F553 WeakPolarHBondContact O-CB 3.4Å; V541-F553 HydrophobicContact CG1-CB 3.98Å; L551-F553 HydrophobicContact CD2-CB 4.24Å; L551-F553 HydrophobicContact CD2-CD1 3.85Å; F553-C555 HydrophobicContact CD2-CB 4.41Å; F553-C555 HydrophobicContact CE2-CB 4.37Å; F553-V560 WeakPolarHBondContact O-CA 3.5Å; F553-H561 HydrophobicContact CD1-CB 4.21Å; F553-H561 HydrophobicContact CD2-CB 4.08Å; F553-H561 HydrophobicContact CE1-CB 3.88Å; F553-H561 HydrophobicContact CE2-CB 3.71Å; F553-H561 AromaticContact CE2-CD2 3.76Å; F553-H561 AromaticContact CE2-CG 3.78Å; F553-H561 HydrophobicContact CG-CB 4.32Å; F553-H561 HydrophobicContact CZ-CB 3.62Å; F553-H561 AromaticContact CZ-CG 3.95Å; F553-H561 PolarHBondContact N-O 2.91Å; F553-H561 PolarHBondContact O-N 2.82Å; F553-Y563 HydrophobicContact CD1-CD2 4.21Å; F553-Y563 AromaticContact CE1-CD2 3.45Å; F553-Y563 HydrophobicContact CE1-CD2 3.45Å; F553-Y563 VanDerWaalsContact CE1-CD2 3.45Å; F553-Y563 AromaticContact CE1-CE2 3.41Å; F553-Y563 HydrophobicContact CE1-CE2 3.41Å; F553-Y563 VanDerWaalsContact CE1-CE2 3.41Å; F553-Y563 HydrophobicContact CZ-CD2 4.2Å; F553-Y563 AromaticContact CZ-CE2 3.69Å; F553-Y563 HydrophobicContact CZ-CE2 3.69Å
554	G	98.3	Very high	97.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.2	174.2	0	0	0	0	0	110.7	C539 C540	C539-G554 PolarHBondContact N-O 3.05Å; C540-G554 PolarHBondContact O-N 2.82Å; C540-G554 WeakPolarHBondContact SG-CA 3.34Å; C540-G554 PolarHBondContact SG-N 3.36Å; C540-G554 VanDerWaalsContact SG-N 3.35Å
555	C	97.8	Very high	97.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	153.2	-172.1	-174.6	0	0	0	0	111.4	F553 D557 H558 C559 V582	F553-C555 HydrophobicContact CD2-CB 4.41Å; F553-C555 HydrophobicContact CE2-CB 4.37Å; C555-D557 VanDerWaalsContact CB-OD1 3.24Å; C555-D557 WeakPolarHBondContact CB-OD1 3.34Å; C555-D557 PolarHBondContact O-N 3.4Å; C555-D557 PolarHBondContact SG-N 2.81Å; C555-D557 PolarHBondContact SG-OD1 2.9Å; C555-D557 VanDerWaalsContact SG-OD1 3.41Å; C555-D557 PolarHBondContact SG-OD2 3.23Å; C555-H558 PolarHBondContact O-N 3.03Å; C555-C559 PolarHBondContact N-O 2.88Å; C555-C559 VanDerWaalsContact N-O 3.11Å; C555-V582 PolarHBondContact O-N 2.99Å
556	A	98	Very high	97.6	Very high	27 Å²	27	36.3 Å²	36.3	22%	0.223	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.8	171.4	0	0	0	0	0	113.2	A536 N537 H558 A581	A536-A556 HydrophobicContact CB-CB 3.9Å; N537-A556 HydrophobicContact CB-CB 4.01Å; N537-A556 WeakPolarHBondContact O-CB 3.43Å; N537-A556 PolarHBondContact O-N 2.66Å; A556-H558 PolarHBondContact O-CE1 2.98Å; A556-H558 VanDerWaalsContact O-CE1 3.3Å; A556-H558 PolarHBondContact O-N 3.46Å; A556-H558 VanDerWaalsContact O-N 3.15Å; A556-H558 PolarHBondContact O-ND1 3.36Å; A556-A581 HydrophobicContact CB-CB 4.3Å
557	D	97.6	Very high	97.5	Very high	45 Å²	45	36.6 Å²	36.6	24%	0.241	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	11.8	171	73.8	9.5	0	0	0	114.8	A536 C555 C559 H561	A536-D557 HydrophobicContact CB-CB 4.4Å; C555-D557 VanDerWaalsContact CB-OD1 3.24Å; C555-D557 WeakPolarHBondContact CB-OD1 3.34Å; C555-D557 PolarHBondContact O-N 3.4Å; C555-D557 PolarHBondContact SG-N 2.81Å; C555-D557 PolarHBondContact SG-OD1 2.9Å; C555-D557 VanDerWaalsContact SG-OD1 3.41Å; C555-D557 PolarHBondContact SG-OD2 3.23Å; D557-C559 PolarHBondContact O-N 3.39Å; D557-C559 PolarHBondContact O-SG 3.24Å; D557-C559 VanDerWaalsContact OD1-CB 3.27Å; D557-C559 WeakPolarHBondContact OD1-CB 3.32Å; D557-C559 PolarHBondContact OD1-N 3.49Å; D557-C559 VanDerWaalsContact OD1-N 3.12Å; D557-H561 VanDerWaalsContact CG-NE2 3.35Å; D557-H561 IonicContact OD1-CD2 2.66Å; D557-H561 IonicContact OD1-NE2 3.41Å; D557-H561 PolarHBondContact OD1-NE2 3.13Å; D557-H561 IonicContact OD2-CE1 3.25Å; D557-H561 PolarHBondContact OD2-CE1 3.5Å; D557-H561 VanDerWaalsContact OD2-CE1 3.25Å; D557-H561 IonicContact OD2-NE2 2.65Å; D557-H561 PolarHBondContact OD2-NE2 3.43Å
558	H	97.8	Very high	97.4	Very high	80 Å²	80	37.6 Å²	37.6	37%	0.37	18%	0.175	S	C	.	.	S	Bend	trans	69.9	12.8	175.4	-42.1	-0.5	0	0	0	114	C555 A556 R579 K580 A581	C555-H558 PolarHBondContact O-N 3.03Å; A556-H558 PolarHBondContact O-CE1 2.98Å; A556-H558 VanDerWaalsContact O-CE1 3.3Å; A556-H558 PolarHBondContact O-N 3.46Å; A556-H558 VanDerWaalsContact O-N 3.15Å; A556-H558 PolarHBondContact O-ND1 3.36Å; H558-R579 PolarHBondContact CD2-O 2.74Å; H558-R579 VanDerWaalsContact CD2-O 3.26Å; H558-R579 PolarHBondContact NE2-O 3.09Å; H558-K580 WeakPolarHBondContact CA-O 3.49Å; H558-K580 VanDerWaalsContact CB-O 3.28Å; H558-K580 WeakPolarHBondContact CB-O 3.43Å; H558-K580 VanDerWaalsContact ND1-C 3.27Å; H558-A581 PolarHBondContact ND1-N 3.21Å
559	C	97.4	Very high	97.1	Very high	15 Å²	15	41.4 Å²	41.4	10%	0.101	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	156.1	177.1	-51.7	0	0	0	0	112	C555 D557 V574 F575	C555-C559 PolarHBondContact N-O 2.88Å; C555-C559 VanDerWaalsContact N-O 3.11Å; D557-C559 PolarHBondContact O-N 3.39Å; D557-C559 PolarHBondContact O-SG 3.24Å; D557-C559 VanDerWaalsContact OD1-CB 3.27Å; D557-C559 WeakPolarHBondContact OD1-CB 3.32Å; D557-C559 PolarHBondContact OD1-N 3.49Å; D557-C559 VanDerWaalsContact OD1-N 3.12Å; C559-V574 HydrophobicContact CB-CG1 3.65Å; C559-F575 VanDerWaalsContact CA-O 3.29Å; C559-F575 WeakPolarHBondContact CA-O 3.18Å; C559-F575 WeakPolarHBondContact CB-O 3.45Å
560	V	98.2	Very high	96.8	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.7	157.1	177.6	0	0	0	0	107.5	A552 F553 F575 V582 A585	A552-V560 HydrophobicContact CB-CG1 4.32Å; F553-V560 WeakPolarHBondContact O-CA 3.5Å; V560-F575 HydrophobicContact CB-CB 4.15Å; V560-F575 HydrophobicContact CB-CD2 3.89Å; V560-F575 HydrophobicContact CB-CG 4.49Å; V560-F575 HydrophobicContact CG1-CD2 3.92Å; V560-F575 PolarHBondContact N-O 2.82Å; V560-F575 WeakPolarHBondContact O-CD2 3.26Å; V560-F575 PolarHBondContact O-N 3.19Å; V560-V582 HydrophobicContact CG2-CG1 3.85Å; V560-V582 HydrophobicContact CG2-CG2 4.39Å; V560-A585 HydrophobicContact CG1-CB 4.49Å; V560-A585 HydrophobicContact CG2-CB 4.47Å
561	H	98.1	Very high	96.7	Very high	11 Å²	11	44 Å²	44	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137	175.3	-61	-106.8	0	0	0	109.2	A552 F553 D557 Y563	A552-H561 CarbonylContact C-O 3.58Å; A552-H561 WeakPolarHBondContact CA-O 2.95Å; F553-H561 HydrophobicContact CD1-CB 4.21Å; F553-H561 HydrophobicContact CD2-CB 4.08Å; F553-H561 HydrophobicContact CE1-CB 3.88Å; F553-H561 HydrophobicContact CE2-CB 3.71Å; F553-H561 AromaticContact CE2-CD2 3.76Å; F553-H561 AromaticContact CE2-CG 3.78Å; F553-H561 HydrophobicContact CG-CB 4.32Å; F553-H561 HydrophobicContact CZ-CB 3.62Å; F553-H561 AromaticContact CZ-CG 3.95Å; F553-H561 PolarHBondContact N-O 2.91Å; F553-H561 PolarHBondContact O-N 2.82Å; D557-H561 VanDerWaalsContact CG-NE2 3.35Å; D557-H561 IonicContact OD1-CD2 2.66Å; D557-H561 IonicContact OD1-NE2 3.41Å; D557-H561 PolarHBondContact OD1-NE2 3.13Å; D557-H561 IonicContact OD2-CE1 3.25Å; D557-H561 PolarHBondContact OD2-CE1 3.5Å; D557-H561 VanDerWaalsContact OD2-CE1 3.25Å; D557-H561 IonicContact OD2-NE2 2.65Å; D557-H561 PolarHBondContact OD2-NE2 3.43Å; H561-Y563 HydrophobicContact CB-CD2 4.24Å; H561-Y563 HydrophobicContact CB-CE2 3.96Å
562	Y	98.2	Very high	96.6	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.02	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.7	179.6	-178.3	-115.1	0	0	0	109.8	H550 L551 A552 P571 I572 M573 F587 I593 V607	H550-Y562 HydrophobicContact CB-CE2 3.92Å; H550-Y562 AromaticContact ND1-CZ 3.92Å; H550-Y562 PolarHBondContact ND1-OH 3.37Å; L551-Y562 WeakPolarHBondContact O-CA 3.35Å; L551-Y562 WeakPolarHBondContact O-CD2 3.36Å; A552-Y562 HydrophobicContact CB-CD2 4.19Å; Y562-P571 CarbonylContact O-C 3.6Å; Y562-P571 WeakPolarHBondContact O-CA 3.42Å; Y562-I572 HydrophobicContact CD1-CB 3.9Å; Y562-I572 HydrophobicContact CD1-CD1 3.75Å; Y562-I572 HydrophobicContact CD1-CG1 4.37Å; Y562-I572 HydrophobicContact CD1-CG2 4.21Å; Y562-I572 HydrophobicContact CE1-CB 4.45Å; Y562-I572 HydrophobicContact CE1-CD1 3.61Å; Y562-I572 HydrophobicContact CE1-CG2 4.45Å; Y562-I572 PolarHBondContact O-N 3.22Å; Y562-M573 PolarHBondContact N-O 3.07Å; Y562-M573 PolarHBondContact O-N 2.99Å; Y562-F587 HydrophobicContact CD2-CZ 4.22Å; Y562-F587 AromaticContact CE2-CE1 3.96Å; Y562-F587 HydrophobicContact CE2-CE1 3.96Å; Y562-F587 AromaticContact CE2-CZ 3.79Å; Y562-F587 HydrophobicContact CE2-CZ 3.79Å; Y562-I593 HydrophobicContact CD2-CD1 4.16Å; Y562-V607 HydrophobicContact CD1-CG1 4.07Å; Y562-V607 HydrophobicContact CE1-CB 4.47Å; Y562-V607 HydrophobicContact CE1-CG1 3.34Å; Y562-V607 HydrophobicContact CE1-CG2 4.36Å
563	Y	98.1	Very high	96.6	Very high	17 Å²	17	49.7 Å²	49.7	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147	-168.1	-88.7	-92.3	0	0	0	112.7	I532 H550 L551 F553 H561 T568 Q570 P571	I532-Y563 HydrophobicContact CD1-CD1 4.14Å; I532-Y563 HydrophobicContact CD1-CD2 4.39Å; I532-Y563 HydrophobicContact CD1-CG 3.99Å; I532-Y563 HydrophobicContact CG2-CD1 4.28Å; I532-Y563 HydrophobicContact CG2-CE1 3.76Å; I532-Y563 HydrophobicContact CG2-CE2 4.05Å; H550-Y563 WeakPolarHBondContact CA-O 3.46Å; L551-Y563 PolarHBondContact N-O 3.49Å; L551-Y563 VanDerWaalsContact N-O 3.14Å; L551-Y563 PolarHBondContact O-N 3.43Å; F553-Y563 HydrophobicContact CD1-CD2 4.21Å; F553-Y563 AromaticContact CE1-CD2 3.45Å; F553-Y563 HydrophobicContact CE1-CD2 3.45Å; F553-Y563 VanDerWaalsContact CE1-CD2 3.45Å; F553-Y563 AromaticContact CE1-CE2 3.41Å; F553-Y563 HydrophobicContact CE1-CE2 3.41Å; F553-Y563 VanDerWaalsContact CE1-CE2 3.41Å; F553-Y563 HydrophobicContact CZ-CD2 4.2Å; F553-Y563 AromaticContact CZ-CE2 3.69Å; F553-Y563 HydrophobicContact CZ-CE2 3.69Å; H561-Y563 HydrophobicContact CB-CD2 4.24Å; H561-Y563 HydrophobicContact CB-CE2 3.96Å; Y563-T568 WeakPolarHBondContact CE1-O 3.47Å; Y563-Q570 WeakPolarHBondContact CE1-O 3.4Å; Y563-P571 HydrophobicContact CD2-CB 4.06Å; Y563-P571 HydrophobicContact CE1-CB 4.21Å; Y563-P571 HydrophobicContact CE2-CB 3.7Å; Y563-P571 HydrophobicContact CE2-CG 4.49Å; Y563-P571 HydrophobicContact CG-CB 4.48Å
564	D	97.4	Very high	96.5	Very high	26 Å²	26	51.8 Å²	51.8	14%	0.139	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119	158.6	-167.6	-24.9	0	0	0	108.3	Y549 R566 N567 I572	Y549-D564 CarbonylContact O-C 3.56Å; Y549-D564 WeakPolarHBondContact O-CA 3.5Å; D564-R566 PolarHBondContact O-N 3.16Å; D564-R566 VanDerWaalsContact O-N 3.15Å; D564-R566 WeakPolarHBondContact OD1-CB 3.47Å; D564-R566 VanDerWaalsContact OD1-CG 3.23Å; D564-R566 WeakPolarHBondContact OD1-CG 3.46Å; D564-R566 IonicContact OD1-CZ 3.87Å; D564-R566 PolarHBondContact OD1-N 3.08Å; D564-R566 IonicContact OD1-NE 2.95Å; D564-R566 PolarHBondContact OD1-NE 3.01Å; D564-R566 IonicContact OD1-NH2 3.92Å; D564-R566 IonicContact OD2-CZ 3.2Å; D564-R566 IonicContact OD2-NE 2.94Å; D564-R566 PolarHBondContact OD2-NE 3.24Å; D564-R566 IonicContact OD2-NH2 2.67Å; D564-R566 PolarHBondContact OD2-NH2 2.74Å; D564-N567 CarbonylContact O-C 3.25Å; D564-N567 VanDerWaalsContact O-C 3.25Å; D564-N567 PolarHBondContact O-N 3.38Å; D564-I572 HydrophobicContact CB-CD1 3.96Å; D564-I572 HydrophobicContact CB-CG1 4.16Å
565	L	96.5	Very high	96.4	Very high	27 Å²	27	51.8 Å²	51.8	14%	0.141	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.5	179	-56.7	-178	0	0	0	112.5	L508 L520 I532 F543 Y549 L551 N567	L508-L565 HydrophobicContact CD2-CD1 4.13Å; L520-L565 HydrophobicContact CD1-CB 4.28Å; L520-L565 HydrophobicContact CD1-CD1 3.86Å; L520-L565 HydrophobicContact CD1-CD2 4.1Å; L520-L565 HydrophobicContact CD1-CG 4.28Å; L520-L565 HydrophobicContact CD2-CD1 4.06Å; L520-L565 HydrophobicContact CD2-CD2 4.3Å; I532-L565 HydrophobicContact CD1-CD2 3.97Å; F543-L565 HydrophobicContact CD1-CD1 4.48Å; F543-L565 HydrophobicContact CE1-CD1 3.59Å; F543-L565 HydrophobicContact CZ-CD1 4.3Å; Y549-L565 WeakPolarHBondContact O-CG 3.26Å; Y549-L565 PolarHBondContact O-N 2.94Å; L551-L565 HydrophobicContact CB-CD1 4.34Å; L551-L565 HydrophobicContact CB-CD2 3.98Å; L551-L565 HydrophobicContact CB-CG 4.33Å; L551-L565 HydrophobicContact CD1-CD2 4.48Å; L565-N567 VanDerWaalsContact C-N 3.34Å
566	R	95.9	Very high	96.4	Very high	165 Å²	165	58.6 Å²	58.6	62%	0.623	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-18.1	170.5	-55.8	173.2	-65.9	179.8	1.1	113	Y549 D564	Y549-R566 HydrophobicContact CD1-CG 3.77Å; Y549-R566 HydrophobicContact CE1-CG 4.32Å; Y549-R566 HydrophobicContact CG-CG 4Å; D564-R566 PolarHBondContact O-N 3.16Å; D564-R566 VanDerWaalsContact O-N 3.15Å; D564-R566 WeakPolarHBondContact OD1-CB 3.47Å; D564-R566 VanDerWaalsContact OD1-CG 3.23Å; D564-R566 WeakPolarHBondContact OD1-CG 3.46Å; D564-R566 IonicContact OD1-CZ 3.87Å; D564-R566 PolarHBondContact OD1-N 3.08Å; D564-R566 IonicContact OD1-NE 2.95Å; D564-R566 PolarHBondContact OD1-NE 3.01Å; D564-R566 IonicContact OD1-NH2 3.92Å; D564-R566 IonicContact OD2-CZ 3.2Å; D564-R566 IonicContact OD2-NE 2.94Å; D564-R566 PolarHBondContact OD2-NE 3.24Å; D564-R566 IonicContact OD2-NH2 2.67Å; D564-R566 PolarHBondContact OD2-NH2 2.74Å
567	N	94.4	Very high	96.2	Very high	87 Å²	87	59.2 Å²	59.2	47%	0.465	29%	0.293	S	S	.	.			trans	-146.8	79.9	176.7	-178.5	21.8	0	0	0	111.5	D564 L565 K569	D564-N567 CarbonylContact O-C 3.25Å; D564-N567 VanDerWaalsContact O-C 3.25Å; D564-N567 PolarHBondContact O-N 3.38Å; L565-N567 VanDerWaalsContact C-N 3.34Å; N567-K569 PolarHBondContact O-N 3.26Å; N567-K569 VanDerWaalsContact O-N 3.1Å
568	T	93.3	Very high	96.2	Very high	45 Å²	45	57.7 Å²	57.7	28%	0.276	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	0.7	-178.5	55.1	0	0	0	0	115.1	I532 Y563 Q570	I532-T568 HydrophobicContact CD1-CG2 4.02Å; I532-T568 HydrophobicContact CG1-CG2 3.75Å; Y563-T568 WeakPolarHBondContact CE1-O 3.47Å; T568-Q570 PolarHBondContact O-N 3.46Å
569	K	91.1	Very high	96.2	Very high	185 Å²	185	60.4 Å²	60.4	80%	0.804	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-27.9	-176.6	-65.7	-175.8	178.4	-179.4	0	114	N567	N567-K569 PolarHBondContact O-N 3.26Å; N567-K569 VanDerWaalsContact O-N 3.1Å
570	Q	92.3	Very high	96.2	Very high	145 Å²	145	62.9 Å²	62.9	68%	0.678	30%	0.301	S	S	*	.	S	Bend	trans	-147.9	145.6	179	-64.6	-172.7	6.5	0	0	109.7	Y563 T568	Y563-Q570 WeakPolarHBondContact CE1-O 3.4Å; T568-Q570 PolarHBondContact O-N 3.46Å
571	P	95.9	Very high	96.2	Very high	42 Å²	42	64.1 Å²	64.1	27%	0.273	31%	0.311	S	S	.	.			trans	-68	148.6	172	28.3	-32.4	0	0	0	110.7	Y562 Y563 M573 V574	Y562-P571 CarbonylContact O-C 3.6Å; Y562-P571 WeakPolarHBondContact O-CA 3.42Å; Y563-P571 HydrophobicContact CD2-CB 4.06Å; Y563-P571 HydrophobicContact CE1-CB 4.21Å; Y563-P571 HydrophobicContact CE2-CB 3.7Å; Y563-P571 HydrophobicContact CE2-CG 4.49Å; Y563-P571 HydrophobicContact CG-CB 4.48Å; P571-M573 VanDerWaalsContact C-N 3.32Å; P571-V574 HydrophobicContact CB-CG2 3.89Å; P571-V574 HydrophobicContact CG-CG2 3.37Å
572	I	96.4	Very high	96.2	Very high	83 Å²	83	63.6 Å²	63.6	43%	0.426	31%	0.309	S	S	.	.	S	Bend	trans	-64	-43.7	166.2	-53.5	169.2	0	0	0	109.2	Y562 D564	Y562-I572 HydrophobicContact CD1-CB 3.9Å; Y562-I572 HydrophobicContact CD1-CD1 3.75Å; Y562-I572 HydrophobicContact CD1-CG1 4.37Å; Y562-I572 HydrophobicContact CD1-CG2 4.21Å; Y562-I572 HydrophobicContact CE1-CB 4.45Å; Y562-I572 HydrophobicContact CE1-CD1 3.61Å; Y562-I572 HydrophobicContact CE1-CG2 4.45Å; Y562-I572 PolarHBondContact O-N 3.22Å; D564-I572 HydrophobicContact CB-CD1 3.96Å; D564-I572 HydrophobicContact CB-CG1 4.16Å
573	M	96.8	Very high	96.2	Very high	39 Å²	39	63.6 Å²	63.6	19%	0.192	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	143.8	-175.8	-164.5	63.3	72.4	0	0	110.9	Y562 P571 F575 P610	Y562-M573 PolarHBondContact N-O 3.07Å; Y562-M573 PolarHBondContact O-N 2.99Å; P571-M573 VanDerWaalsContact C-N 3.32Å; M573-F575 HydrophobicContact CB-CE1 4.32Å; M573-F575 HydrophobicContact CB-CE2 4.15Å; M573-F575 HydrophobicContact CB-CZ 3.92Å; M573-F575 HydrophobicContact CG-CD1 3.83Å; M573-F575 HydrophobicContact CG-CD2 4.38Å; M573-F575 HydrophobicContact CG-CE1 3.43Å; M573-F575 VanDerWaalsContact CG-CE1 3.43Å; M573-F575 HydrophobicContact CG-CE2 4.05Å; M573-F575 HydrophobicContact CG-CG 4.29Å; M573-F575 HydrophobicContact CG-CZ 3.55Å; M573-P610 HydrophobicContact SD-CB 3.79Å
574	V	96.8	Very high	96.3	Very high	44 Å²	44	64.6 Å²	64.6	27%	0.267	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	100	171.1	-176.3	0	0	0	0	108	C559 P571 K576	C559-V574 HydrophobicContact CB-CG1 3.65Å; P571-V574 HydrophobicContact CB-CG2 3.89Å; P571-V574 HydrophobicContact CG-CG2 3.37Å; V574-K576 PolarHBondContact O-N 3.05Å
575	F	97.4	Very high	96.3	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	120.8	-177.3	-58.8	-74.2	0	0	0	110.3	C559 V560 M573 I593 W605 N606 K609	C559-F575 VanDerWaalsContact CA-O 3.29Å; C559-F575 WeakPolarHBondContact CA-O 3.18Å; C559-F575 WeakPolarHBondContact CB-O 3.45Å; V560-F575 HydrophobicContact CB-CB 4.15Å; V560-F575 HydrophobicContact CB-CD2 3.89Å; V560-F575 HydrophobicContact CB-CG 4.49Å; V560-F575 HydrophobicContact CG1-CD2 3.92Å; V560-F575 PolarHBondContact N-O 2.82Å; V560-F575 WeakPolarHBondContact O-CD2 3.26Å; V560-F575 PolarHBondContact O-N 3.19Å; M573-F575 HydrophobicContact CB-CE1 4.32Å; M573-F575 HydrophobicContact CB-CE2 4.15Å; M573-F575 HydrophobicContact CB-CZ 3.92Å; M573-F575 HydrophobicContact CG-CD1 3.83Å; M573-F575 HydrophobicContact CG-CD2 4.38Å; M573-F575 HydrophobicContact CG-CE1 3.43Å; M573-F575 VanDerWaalsContact CG-CE1 3.43Å; M573-F575 HydrophobicContact CG-CE2 4.05Å; M573-F575 HydrophobicContact CG-CG 4.29Å; M573-F575 HydrophobicContact CG-CZ 3.55Å; F575-I593 HydrophobicContact CE2-CD1 3.87Å; F575-I593 HydrophobicContact CZ-CD1 4.3Å; F575-W605 HydrophobicContact CB-CD2 3.76Å; F575-W605 HydrophobicContact CB-CE3 3.59Å; F575-W605 HydrophobicContact CB-CG 4.37Å; F575-W605 HydrophobicContact CB-CH2 4.15Å; F575-W605 HydrophobicContact CB-CZ2 4.3Å; F575-W605 HydrophobicContact CB-CZ3 3.79Å; F575-W605 HydrophobicContact CD1-CB 3.89Å; F575-W605 HydrophobicContact CD1-CD2 4.07Å; F575-W605 AromaticContact CD1-CE3 3.79Å; F575-W605 HydrophobicContact CD1-CE3 3.79Å; F575-W605 HydrophobicContact CD1-CG 4.14Å; F575-W605 HydrophobicContact CE1-CB 3.98Å; F575-W605 HydrophobicContact CG-CB 4.33Å; F575-W605 HydrophobicContact CG-CD2 4.04Å; F575-W605 HydrophobicContact CG-CE3 4.01Å; F575-W605 HydrophobicContact CG-CG 4.19Å; F575-W605 HydrophobicContact CZ-CB 4.49Å; F575-N606 WeakPolarHBondContact CE1-O 3.39Å; F575-K609 WeakPolarHBondContact CE1-O 3.39Å
576	K	96.1	Very high	96.4	Very high	143 Å²	143	63.9 Å²	63.9	62%	0.622	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.1	-176.4	-69.6	-178	176.7	-178.4	0	111.1	V574 W605	V574-K576 PolarHBondContact O-N 3.05Å; K576-W605 WeakPolarHBondContact O-CH2 3.17Å; K576-W605 WeakPolarHBondContact O-CZ3 3.47Å
577	G	95	Very high	96.4	Very high	39 Å²	39	57.1 Å²	57.1	40%	0.402	28%	0.284	S	S	.	.			trans	157.6	-11.6	171.3	0	0	0	0	0	117	K603	G577-K603 WeakPolarHBondContact O-CE 3.15Å
578	H	97.8	Very high	96.4	Very high	13 Å²	13	54 Å²	54	6%	0.06	27%	0.268	C	S	.	.			trans	-76.3	155.2	166.6	-74.5	-72.4	0	0	0	110.7	V582 S595 S597 D599 Q601 W605	H578-V582 HydrophobicContact CB-CG2 4.47Å; H578-S595 PolarHBondContact NE2-OG 3.32Å; H578-S597 VanDerWaalsContact CG-CB 3.49Å; H578-S597 WeakPolarHBondContact ND1-CB 3.23Å; H578-D599 IonicContact CE1-OD1 2.73Å; H578-D599 IonicContact CG-OD1 2.67Å; H578-D599 IonicContact ND1-OD1 3.4Å; H578-D599 PolarHBondContact ND1-OD1 2.63Å; H578-D599 IonicContact ND1-OD2 3.46Å; H578-Q601 PolarHBondContact CE1-O 3.41Å; H578-W605 AromaticContact CD2-CZ2 3.99Å
579	R	97.4	Very high	96.4	Very high	137 Å²	137	53.8 Å²	53.8	52%	0.517	27%	0.268	S	S	.	.	S	Bend	trans	-101	-2.4	179.7	-63.6	179	-49.2	-51.9	-9.2	114.1	H558 D599	H558-R579 PolarHBondContact CD2-O 2.74Å; H558-R579 VanDerWaalsContact CD2-O 3.26Å; H558-R579 PolarHBondContact NE2-O 3.09Å; R579-D599 HydrophobicContact CB-CB 4.17Å; R579-D599 IonicContact CZ-OD2 3.57Å; R579-D599 VanDerWaalsContact CZ-OD2 3.3Å; R579-D599 PolarHBondContact N-OD2 3.1Å; R579-D599 IonicContact NH1-OD2 3.56Å; R579-D599 PolarHBondContact NH1-OD2 3.07Å; R579-D599 PolarHBondContact NH2-O 3.38Å; R579-D599 IonicContact NH2-OD2 2.66Å
580	K	98.1	Very high	96.5	Very high	67 Å²	67	45.6 Å²	45.6	29%	0.291	24%	0.236	S	C	.	.	S	Bend	trans	-146.3	177.7	178.3	-74.7	168.8	172.4	-179.3	0	109.9	H558 S597 T598 D599 E622	H558-K580 WeakPolarHBondContact CA-O 3.49Å; H558-K580 VanDerWaalsContact CB-O 3.28Å; H558-K580 WeakPolarHBondContact CB-O 3.43Å; H558-K580 VanDerWaalsContact ND1-C 3.27Å; K580-S597 PolarHBondContact O-OG 3.08Å; K580-T598 WeakPolarHBondContact CD-O 3.32Å; K580-T598 WeakPolarHBondContact CE-O 3.26Å; K580-T598 PolarHBondContact NZ-O 3.27Å; K580-D599 HydrophobicContact CB-CB 4.2Å; K580-D599 HydrophobicContact CD-CB 4.2Å; K580-D599 HydrophobicContact CG-CB 4.4Å; K580-E622 PolarHBondContact NZ-O 3.27Å; K580-E622 IonicContact NZ-OE2 3.05Å; K580-E622 PolarHBondContact NZ-OE2 3.33Å
581	A	97.3	Very high	96.5	Very high	27 Å²	27	44.2 Å²	44.2	22%	0.223	23%	0.23	C	C	.	.			trans	-50.1	139.5	177.5	0	0	0	0	0	113	A556 H558 S583 S597 T598	A556-A581 HydrophobicContact CB-CB 4.3Å; H558-A581 PolarHBondContact ND1-N 3.21Å; A581-S583 PolarHBondContact O-N 3.5Å; A581-S597 WeakPolarHBondContact O-CA 3.43Å; A581-S597 VanDerWaalsContact O-CB 3.3Å; A581-S597 WeakPolarHBondContact O-CB 3.33Å; A581-S597 PolarHBondContact O-OG 2.79Å; A581-T598 PolarHBondContact O-N 3.31Å
582	V	98.6	Very high	96.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	101.5	178.1	-176.6	0	0	0	0	109.1	C539 C555 V560 H578 Y584 A596	C539-V582 VanDerWaalsContact CB-O 3.32Å; C539-V582 WeakPolarHBondContact CB-O 3.36Å; C555-V582 PolarHBondContact O-N 2.99Å; V560-V582 HydrophobicContact CG2-CG1 3.85Å; V560-V582 HydrophobicContact CG2-CG2 4.39Å; H578-V582 HydrophobicContact CB-CG2 4.47Å; V582-Y584 WeakPolarHBondContact CG1-O 3.46Å; V582-A596 CarbonylContact C-O 3.59Å; V582-A596 WeakPolarHBondContact CA-O 3.27Å; V582-A596 WeakPolarHBondContact CG1-O 3.4Å
583	S	98.1	Very high	96.6	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.028	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-32.8	-175.2	49.7	0	0	0	0	113.3	A581 A596	A581-S583 PolarHBondContact O-N 3.5Å; S583-A596 PolarHBondContact N-O 3.16Å; S583-A596 PolarHBondContact OG-O 2.88Å
584	Y	98.7	Very high	96.7	Very high	38 Å²	38	37.9 Å²	37.9	15%	0.149	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.4	176.3	-62	-90.5	0	0	0	112.3	C540 V582 S595 A596 F625 G627 L628	C540-Y584 WeakPolarHBondContact SG-CA 3.39Å; V582-Y584 WeakPolarHBondContact CG1-O 3.46Å; Y584-S595 CarbonylContact O-C 3.54Å; Y584-S595 WeakPolarHBondContact O-CA 3.18Å; Y584-S595 WeakPolarHBondContact O-CB 3.49Å; Y584-A596 HydrophobicContact CD2-CB 4.31Å; Y584-A596 PolarHBondContact N-O 3.41Å; Y584-A596 PolarHBondContact O-N 2.93Å; Y584-F625 HydrophobicContact CE2-CB 4.22Å; Y584-F625 AromaticContact CE2-CD1 3.93Å; Y584-F625 HydrophobicContact CE2-CD1 3.93Å; Y584-F625 AromaticContact CZ-CD1 3.99Å; Y584-G627 VanDerWaalsContact CE2-N 3.28Å; Y584-G627 VanDerWaalsContact CZ-CA 3.49Å; Y584-G627 PolarHBondContact OH-N 3.49Å; Y584-G627 VanDerWaalsContact OH-N 3.15Å; Y584-L628 HydrophobicContact CD1-CB 4.42Å; Y584-L628 HydrophobicContact CD2-CB 4.21Å; Y584-L628 HydrophobicContact CG-CB 3.84Å
585	A	98.4	Very high	96.8	Very high	5 Å²	5	35.8 Å²	35.8	4%	0.041	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	128.6	164.7	0	0	0	0	0	108	C540 V560 V594	C540-A585 PolarHBondContact SG-N 3.15Å; V560-A585 HydrophobicContact CG1-CB 4.49Å; V560-A585 HydrophobicContact CG2-CB 4.47Å; A585-V594 WeakPolarHBondContact CA-O 3.49Å
586	K	97.9	Very high	96.9	Very high	34 Å²	34	35.8 Å²	35.8	15%	0.148	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.5	174.9	-64.3	-80.7	-165.1	170.5	0	107.6	E408 K542 V594 L628	E408-K586 IonicContact OE1-NZ 3.78Å; E408-K586 PolarHBondContact OE1-NZ 2.89Å; K542-K586 HydrophobicContact CD-CD 4.04Å; K586-V594 HydrophobicContact CB-CG1 4.27Å; K586-V594 PolarHBondContact N-O 3.35Å; K586-V594 WeakPolarHBondContact O-CG1 3.37Å; K586-V594 PolarHBondContact O-N 2.84Å; K586-V594 VanDerWaalsContact O-O 3.11Å; K586-L628 WeakPolarHBondContact CE-O 3.46Å; K586-L628 HydrophobicContact CG-CD2 4.42Å; K586-L628 HydrophobicContact CG-CG 4.4Å; K586-L628 WeakPolarHBondContact CG-O 3.38Å
587	F	96.9	Very high	97	Very high	23 Å²	23	29 Å²	29	10%	0.101	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	138.7	170.4	-73.2	-93	0	0	0	109.8	K542 F543 P545 A552 Y562 S589 I593	K542-F587 HydrophobicContact CB-CD2 4.32Å; K542-F587 HydrophobicContact CB-CE2 4.35Å; K542-F587 HydrophobicContact CG-CD2 4.18Å; F543-F587 WeakPolarHBondContact O-CD2 3.48Å; F543-F587 WeakPolarHBondContact O-CE2 3.42Å; P545-F587 VanDerWaalsContact CD-CB 3.49Å; P545-F587 HydrophobicContact CG-CB 3.98Å; P545-F587 HydrophobicContact CG-CG 4.47Å; A552-F587 HydrophobicContact CB-CE2 3.74Å; A552-F587 HydrophobicContact CB-CZ 3.66Å; Y562-F587 HydrophobicContact CD2-CZ 4.22Å; Y562-F587 AromaticContact CE2-CE1 3.96Å; Y562-F587 HydrophobicContact CE2-CE1 3.96Å; Y562-F587 AromaticContact CE2-CZ 3.79Å; Y562-F587 HydrophobicContact CE2-CZ 3.79Å; F587-S589 WeakPolarHBondContact CD1-O 3.03Å; F587-I593 HydrophobicContact CD1-CD1 4.42Å; F587-I593 HydrophobicContact CD1-CG1 3.67Å; F587-I593 HydrophobicContact CE1-CD1 3.76Å; F587-I593 HydrophobicContact CE1-CG1 3.51Å; F587-I593 HydrophobicContact CG-CG1 4.42Å; F587-I593 HydrophobicContact CZ-CD1 4.07Å; F587-I593 HydrophobicContact CZ-CG1 4.14Å
588	V	94.6	Very high	97.1	Very high	21 Å²	21	28.1 Å²	28.1	13%	0.127	14%	0.139	C	C	.	.	S	Bend	trans	-93.2	-34.9	169.7	-174.9	0	0	0	0	109.2	E592 V594 L604 G632 K649	V588-E592 HydrophobicContact CB-CB 3.95Å; V588-E592 PolarHBondContact N-O 2.88Å; V588-V594 HydrophobicContact CG2-CB 3.72Å; V588-V594 HydrophobicContact CG2-CG1 3.57Å; V588-L604 HydrophobicContact CG2-CD1 3.99Å; V588-G632 WeakPolarHBondContact CG1-O 3.39Å; V588-K649 HydrophobicContact CG1-CD 3.88Å
589	S	92.9	Very high	97.1	Very high	40 Å²	40	27.6 Å²	27.6	28%	0.28	14%	0.136	S	C	.	.	S	Bend	trans	-151.6	-175.1	171.2	67.1	0	0	0	0	109.1	F587 E591 E592	F587-S589 WeakPolarHBondContact CD1-O 3.03Å; S589-E591 PolarHBondContact O-N 3.24Å; S589-E591 PolarHBondContact OG-N 3.18Å; S589-E592 PolarHBondContact N-O 3.44Å; S589-E592 WeakPolarHBondContact OG-CB 3.27Å; S589-E592 PolarHBondContact OG-N 2.99Å; S589-E592 VanDerWaalsContact OG-N 3.15Å
590	G	92.3	Very high	97.1	Very high	13 Å²	13	22.2 Å²	22.2	13%	0.134	12%	0.12	C	C	.	.	S	Bend	trans	-59.3	-29.8	170	0	0	0	0	0	113.6	S546	S546-G590 VanDerWaalsContact OG-CA 3.24Å; S546-G590 WeakPolarHBondContact OG-CA 3.25Å
591	E	93.7	Very high	97.1	Very high	116 Å²	116	20.1 Å²	20.1	54%	0.542	11%	0.111	S	C	.	.	S	Bend	trans	-100.6	-14.2	-173.5	-69.3	-57.9	134.5	0	0	114.2	S589 N606 V607	S589-E591 PolarHBondContact O-N 3.24Å; S589-E591 PolarHBondContact OG-N 3.18Å; E591-N606 CarbonylContact O-C 3.45Å; E591-N606 VanDerWaalsContact O-CA 3.26Å; E591-N606 WeakPolarHBondContact O-CA 3.36Å; E591-N606 PolarHBondContact O-ND2 3.42Å; E591-V607 PolarHBondContact O-N 3.28Å
592	E	96.5	Very high	97.1	Very high	31 Å²	31	18.9 Å²	18.9	15%	0.145	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.7	-173.1	-68.1	178.1	120.2	0	0	112.1	V588 S589 L604 W605 K649	V588-E592 HydrophobicContact CB-CB 3.95Å; V588-E592 PolarHBondContact N-O 2.88Å; S589-E592 PolarHBondContact N-O 3.44Å; S589-E592 WeakPolarHBondContact OG-CB 3.27Å; S589-E592 PolarHBondContact OG-N 2.99Å; S589-E592 VanDerWaalsContact OG-N 3.15Å; E592-L604 HydrophobicContact CB-CD1 4.29Å; E592-W605 WeakPolarHBondContact CA-O 3.43Å; E592-K649 IonicContact OE1-NZ 2.64Å; E592-K649 WeakPolarHBondContact OE2-CE 3.49Å; E592-K649 IonicContact OE2-NZ 3.19Å; E592-K649 PolarHBondContact OE2-NZ 3.2Å
593	I	98.3	Very high	97.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.3	175.1	-61.3	169.2	0	0	0	108.2	A552 Y562 F575 F587 L604 W605 V607	A552-I593 HydrophobicContact CB-CD1 4.06Å; Y562-I593 HydrophobicContact CD2-CD1 4.16Å; F575-I593 HydrophobicContact CE2-CD1 3.87Å; F575-I593 HydrophobicContact CZ-CD1 4.3Å; F587-I593 HydrophobicContact CD1-CD1 4.42Å; F587-I593 HydrophobicContact CD1-CG1 3.67Å; F587-I593 HydrophobicContact CE1-CD1 3.76Å; F587-I593 HydrophobicContact CE1-CG1 3.51Å; F587-I593 HydrophobicContact CG-CG1 4.42Å; F587-I593 HydrophobicContact CZ-CD1 4.07Å; F587-I593 HydrophobicContact CZ-CG1 4.14Å; I593-L604 WeakPolarHBondContact O-CA 3.3Å; I593-W605 HydrophobicContact CB-CB 4.47Å; I593-W605 PolarHBondContact N-O 3.22Å; I593-W605 PolarHBondContact O-N 3.36Å; I593-V607 HydrophobicContact CD1-CG2 4.24Å; I593-V607 HydrophobicContact CG1-CG2 4.47Å
594	V	98.6	Very high	97.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.2	165.7	62	0	0	0	0	110	A585 K586 V588 L602 K603 L628 I635	A585-V594 WeakPolarHBondContact CA-O 3.49Å; K586-V594 HydrophobicContact CB-CG1 4.27Å; K586-V594 PolarHBondContact N-O 3.35Å; K586-V594 WeakPolarHBondContact O-CG1 3.37Å; K586-V594 PolarHBondContact O-N 2.84Å; K586-V594 VanDerWaalsContact O-O 3.11Å; V588-V594 HydrophobicContact CG2-CB 3.72Å; V588-V594 HydrophobicContact CG2-CG1 3.57Å; V594-L602 HydrophobicContact CG2-CB 4.48Å; V594-K603 WeakPolarHBondContact CA-O 3.32Å; V594-L628 HydrophobicContact CG1-CD2 4.22Å; V594-L628 HydrophobicContact CG2-CD1 4.37Å; V594-L628 HydrophobicContact CG2-CD2 4.43Å; V594-I635 HydrophobicContact CB-CD1 4.34Å; V594-I635 HydrophobicContact CG2-CD1 3.97Å; V594-I635 HydrophobicContact CG2-CG1 4.35Å; V594-I635 HydrophobicContact CG2-CG2 3.96Å
595	S	98.6	Very high	97.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.2	174.6	62.7	0	0	0	0	112.8	H578 Y584 L602 K603 W605	H578-S595 PolarHBondContact NE2-OG 3.32Å; Y584-S595 CarbonylContact O-C 3.54Å; Y584-S595 WeakPolarHBondContact O-CA 3.18Å; Y584-S595 WeakPolarHBondContact O-CB 3.49Å; S595-L602 CarbonylContact O-C 3.59Å; S595-L602 WeakPolarHBondContact O-CA 3.44Å; S595-K603 PolarHBondContact N-O 3.36Å; S595-K603 PolarHBondContact O-N 3.44Å; S595-W605 PolarHBondContact OG-NE1 2.96Å
596	A	98.7	Very high	97	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	144.2	169.5	0	0	0	0	0	109.5	V582 S583 Y584 L602 L628	V582-A596 CarbonylContact C-O 3.59Å; V582-A596 WeakPolarHBondContact CA-O 3.27Å; V582-A596 WeakPolarHBondContact CG1-O 3.4Å; S583-A596 PolarHBondContact N-O 3.16Å; S583-A596 PolarHBondContact OG-O 2.88Å; Y584-A596 HydrophobicContact CD2-CB 4.31Å; Y584-A596 PolarHBondContact N-O 3.41Å; Y584-A596 PolarHBondContact O-N 2.93Å; A596-L602 HydrophobicContact CB-CD2 3.44Å; A596-L602 VanDerWaalsContact CB-CD2 3.44Å; A596-L628 HydrophobicContact CB-CB 4.31Å; A596-L628 HydrophobicContact CB-CD2 4Å
597	S	98.4	Very high	96.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	159.9	172.7	170.8	0	0	0	0	109	H578 K580 A581 D599 Q601 N621	H578-S597 VanDerWaalsContact CG-CB 3.49Å; H578-S597 WeakPolarHBondContact ND1-CB 3.23Å; K580-S597 PolarHBondContact O-OG 3.08Å; A581-S597 WeakPolarHBondContact O-CA 3.43Å; A581-S597 VanDerWaalsContact O-CB 3.3Å; A581-S597 WeakPolarHBondContact O-CB 3.33Å; A581-S597 PolarHBondContact O-OG 2.79Å; S597-D599 VanDerWaalsContact CB-OD1 3.28Å; S597-D599 WeakPolarHBondContact CB-OD1 3.47Å; S597-D599 PolarHBondContact O-N 2.97Å; S597-D599 PolarHBondContact OG-OD1 3.1Å; S597-Q601 PolarHBondContact N-O 3.21Å; S597-N621 PolarHBondContact O-ND2 3.4Å
598	T	97.8	Very high	96.5	Very high	21 Å²	21	19.8 Å²	19.8	13%	0.129	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	25.6	173.8	50.6	0	0	0	0	113.2	K580 A581 N621 E622	K580-T598 WeakPolarHBondContact CD-O 3.32Å; K580-T598 WeakPolarHBondContact CE-O 3.26Å; K580-T598 PolarHBondContact NZ-O 3.27Å; A581-T598 PolarHBondContact O-N 3.31Å; T598-N621 CarbonylContact C-O 3.52Å; T598-N621 WeakPolarHBondContact CA-O 3.43Å; T598-E622 CarbonylContact O-C 3.54Å; T598-E622 VanDerWaalsContact O-CA 3.26Å; T598-E622 WeakPolarHBondContact O-CA 3.33Å
599	D	97.5	Very high	96.3	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.011	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	26.7	177	82.2	-32.7	0	0	0	113.5	H578 R579 K580 S597 Q601 N621	H578-D599 IonicContact CE1-OD1 2.73Å; H578-D599 IonicContact CG-OD1 2.67Å; H578-D599 IonicContact ND1-OD1 3.4Å; H578-D599 PolarHBondContact ND1-OD1 2.63Å; H578-D599 IonicContact ND1-OD2 3.46Å; R579-D599 HydrophobicContact CB-CB 4.17Å; R579-D599 IonicContact CZ-OD2 3.57Å; R579-D599 VanDerWaalsContact CZ-OD2 3.3Å; R579-D599 PolarHBondContact N-OD2 3.1Å; R579-D599 IonicContact NH1-OD2 3.56Å; R579-D599 PolarHBondContact NH1-OD2 3.07Å; R579-D599 PolarHBondContact NH2-O 3.38Å; R579-D599 IonicContact NH2-OD2 2.66Å; K580-D599 HydrophobicContact CB-CB 4.2Å; K580-D599 HydrophobicContact CD-CB 4.2Å; K580-D599 HydrophobicContact CG-CB 4.4Å; S597-D599 VanDerWaalsContact CB-OD1 3.28Å; S597-D599 WeakPolarHBondContact CB-OD1 3.47Å; S597-D599 PolarHBondContact O-N 2.97Å; S597-D599 PolarHBondContact OG-OD1 3.1Å; D599-Q601 PolarHBondContact O-N 3.27Å; D599-N621 PolarHBondContact N-O 2.8Å
600	S	97.6	Very high	95.9	Very high	25 Å²	25	24.9 Å²	24.9	18%	0.175	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	39.1	-174.4	-59.2	0	0	0	0	114.2	N621 E622	S600-N621 PolarHBondContact N-O 3.21Å; S600-N621 PolarHBondContact OG-N 3.12Å; S600-N621 PolarHBondContact OG-O 3.43Å; S600-E622 WeakPolarHBondContact CB-OE1 3.47Å; S600-E622 PolarHBondContact N-OE1 3.46Å; S600-E622 PolarHBondContact OG-OE1 3.34Å
601	Q	97.6	Very high	95.5	Very high	23 Å²	23	32.9 Å²	32.9	11%	0.107	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.1	176.2	-70.4	174.9	37.3	0	0	111.6	H578 S597 D599 F616 K617	H578-Q601 PolarHBondContact CE1-O 3.41Å; S597-Q601 PolarHBondContact N-O 3.21Å; D599-Q601 PolarHBondContact O-N 3.27Å; Q601-F616 WeakPolarHBondContact CA-O 3.27Å; Q601-K617 HydrophobicContact CG-CG 4.09Å
602	L	98.6	Very high	95.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	152.2	153.7	-47.8	-176	0	0	0	108.7	V594 S595 A596 S615 F616 L628 I635 C637 Y647	V594-L602 HydrophobicContact CG2-CB 4.48Å; S595-L602 CarbonylContact O-C 3.59Å; S595-L602 WeakPolarHBondContact O-CA 3.44Å; A596-L602 HydrophobicContact CB-CD2 3.44Å; A596-L602 VanDerWaalsContact CB-CD2 3.44Å; L602-S615 CarbonylContact O-C 3.53Å; L602-S615 WeakPolarHBondContact O-CA 3.34Å; L602-F616 HydrophobicContact CB-CB 4.11Å; L602-F616 HydrophobicContact CB-CD2 3.75Å; L602-F616 HydrophobicContact CB-CG 4.34Å; L602-F616 PolarHBondContact N-O 3.23Å; L602-F616 PolarHBondContact O-N 3.35Å; L602-L628 HydrophobicContact CD1-CD1 3.91Å; L602-L628 HydrophobicContact CD2-CD1 4.03Å; L602-I635 HydrophobicContact CD1-CG2 3.52Å; L602-C637 HydrophobicContact CD1-CB 4.08Å; L602-C637 HydrophobicContact CD2-CB 4.17Å; L602-Y647 HydrophobicContact CD1-CD2 4.05Å; L602-Y647 HydrophobicContact CD1-CE2 4.22Å
603	K	98.3	Very high	95.3	Very high	11 Å²	11	31.7 Å²	31.7	5%	0.048	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	138.1	173.3	-69.7	179.3	-169.2	-76.3	0	111.4	G577 V594 S595 W605 C612 R614 S615	G577-K603 WeakPolarHBondContact O-CE 3.15Å; V594-K603 WeakPolarHBondContact CA-O 3.32Å; S595-K603 PolarHBondContact N-O 3.36Å; S595-K603 PolarHBondContact O-N 3.44Å; K603-W605 HydrophobicContact CB-CH2 4.43Å; K603-W605 HydrophobicContact CB-CZ2 3.6Å; K603-W605 HydrophobicContact CD-CH2 3.8Å; K603-W605 HydrophobicContact CD-CZ2 3.57Å; K603-W605 HydrophobicContact CG-CZ2 4.19Å; K603-W605 PolarHBondContact O-NE1 3.31Å; K603-C612 HydrophobicContact CB-CB 4.15Å; K603-C612 HydrophobicContact CD-CB 4.29Å; K603-C612 HydrophobicContact CG-CB 4.39Å; K603-R614 WeakPolarHBondContact CA-O 3.47Å; K603-S615 PolarHBondContact NZ-OG 2.9Å
604	L	98.2	Very high	95.1	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134	169.8	-170	69.4	0	0	0	108.8	V588 E592 I593 C612 L613 R614 F616 K649	V588-L604 HydrophobicContact CG2-CD1 3.99Å; E592-L604 HydrophobicContact CB-CD1 4.29Å; I593-L604 WeakPolarHBondContact O-CA 3.3Å; L604-C612 CarbonylContact O-C 3.55Å; L604-C612 VanDerWaalsContact O-CA 3.28Å; L604-C612 WeakPolarHBondContact O-CA 3.48Å; L604-C612 WeakPolarHBondContact O-CB 3.46Å; L604-L613 HydrophobicContact CB-CB 4.43Å; L604-L613 HydrophobicContact CD2-CB 4.3Å; L604-L613 HydrophobicContact CD2-CD1 4.01Å; L604-L613 HydrophobicContact CG-CB 4.43Å; L604-L613 HydrophobicContact CG-CD1 4.2Å; L604-L613 PolarHBondContact O-N 3.36Å; L604-R614 HydrophobicContact CB-CB 4.27Å; L604-R614 PolarHBondContact N-O 3.03Å; L604-F616 HydrophobicContact CB-CE2 3.84Å; L604-F616 HydrophobicContact CB-CZ 4.11Å; L604-K649 HydrophobicContact CD2-CB 4.37Å
605	W	97.9	Very high	95	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.4	178.3	-43.2	89.8	0	0	0	109.1	F575 K576 H578 E592 I593 S595 K603 C612	F575-W605 HydrophobicContact CB-CD2 3.76Å; F575-W605 HydrophobicContact CB-CE3 3.59Å; F575-W605 HydrophobicContact CB-CG 4.37Å; F575-W605 HydrophobicContact CB-CH2 4.15Å; F575-W605 HydrophobicContact CB-CZ2 4.3Å; F575-W605 HydrophobicContact CB-CZ3 3.79Å; F575-W605 HydrophobicContact CD1-CB 3.89Å; F575-W605 HydrophobicContact CD1-CD2 4.07Å; F575-W605 AromaticContact CD1-CE3 3.79Å; F575-W605 HydrophobicContact CD1-CE3 3.79Å; F575-W605 HydrophobicContact CD1-CG 4.14Å; F575-W605 HydrophobicContact CE1-CB 3.98Å; F575-W605 HydrophobicContact CG-CB 4.33Å; F575-W605 HydrophobicContact CG-CD2 4.04Å; F575-W605 HydrophobicContact CG-CE3 4.01Å; F575-W605 HydrophobicContact CG-CG 4.19Å; F575-W605 HydrophobicContact CZ-CB 4.49Å; K576-W605 WeakPolarHBondContact O-CH2 3.17Å; K576-W605 WeakPolarHBondContact O-CZ3 3.47Å; H578-W605 AromaticContact CD2-CZ2 3.99Å; E592-W605 WeakPolarHBondContact CA-O 3.43Å; I593-W605 HydrophobicContact CB-CB 4.47Å; I593-W605 PolarHBondContact N-O 3.22Å; I593-W605 PolarHBondContact O-N 3.36Å; S595-W605 PolarHBondContact OG-NE1 2.96Å; K603-W605 HydrophobicContact CB-CH2 4.43Å; K603-W605 HydrophobicContact CB-CZ2 3.6Å; K603-W605 HydrophobicContact CD-CH2 3.8Å; K603-W605 HydrophobicContact CD-CZ2 3.57Å; K603-W605 HydrophobicContact CG-CZ2 4.19Å; K603-W605 PolarHBondContact O-NE1 3.31Å; W605-C612 HydrophobicContact CD2-CB 4.06Å; W605-C612 VanDerWaalsContact CE3-CA 3.4Å; W605-C612 HydrophobicContact CE3-CB 3.59Å; W605-C612 VanDerWaalsContact CE3-N 3.34Å; W605-C612 HydrophobicContact CH2-CB 3.94Å; W605-C612 HydrophobicContact CZ2-CB 4.36Å; W605-C612 HydrophobicContact CZ3-CB 3.54Å; W605-C612 VanDerWaalsContact CZ3-N 3.32Å
606	N	95.8	Very high	94.9	Very high	30 Å²	30	35.9 Å²	35.9	16%	0.16	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.8	164.4	163.7	-113.2	0	0	0	109	F575 E591 G608 K609 L613	F575-N606 WeakPolarHBondContact CE1-O 3.39Å; E591-N606 CarbonylContact O-C 3.45Å; E591-N606 VanDerWaalsContact O-CA 3.26Å; E591-N606 WeakPolarHBondContact O-CA 3.36Å; E591-N606 PolarHBondContact O-ND2 3.42Å; N606-G608 PolarHBondContact O-N 3.41Å; N606-G608 VanDerWaalsContact O-N 3.14Å; N606-G608 PolarHBondContact OD1-N 3.19Å; N606-K609 HydrophobicContact CB-CB 4.41Å; N606-K609 HydrophobicContact CB-CD 4.46Å; N606-K609 PolarHBondContact O-N 2.94Å; N606-K609 VanDerWaalsContact O-O 3.11Å; N606-L613 HydrophobicContact CB-CD1 3.97Å; N606-L613 HydrophobicContact CB-CD2 4.26Å; N606-L613 HydrophobicContact CB-CG 4.24Å
607	V	94.1	Very high	94.7	Very high	20 Å²	20	41.9 Å²	41.9	12%	0.121	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.3	-177	169.4	0	0	0	0	112.7	Y562 E591 I593	Y562-V607 HydrophobicContact CD1-CG1 4.07Å; Y562-V607 HydrophobicContact CE1-CB 4.47Å; Y562-V607 HydrophobicContact CE1-CG1 3.34Å; Y562-V607 HydrophobicContact CE1-CG2 4.36Å; E591-V607 PolarHBondContact O-N 3.28Å; I593-V607 HydrophobicContact CD1-CG2 4.24Å; I593-V607 HydrophobicContact CG1-CG2 4.47Å
608	G	90.8	Very high	94.5	Very high	57 Å²	57	44 Å²	44	59%	0.588	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	1.5	177.4	0	0	0	0	0	116.5	N606	N606-G608 PolarHBondContact O-N 3.41Å; N606-G608 VanDerWaalsContact O-N 3.14Å; N606-G608 PolarHBondContact OD1-N 3.19Å
609	K	89.6	Confident	94.5	Very high	113 Å²	113	43.3 Å²	43.3	49%	0.491	24%	0.237	S	C	.	.			trans	-130.8	124.4	-173.7	-67.1	178.7	-175.4	178.6	0	112.3	F575 N606 Y611 L613	F575-K609 WeakPolarHBondContact CE1-O 3.39Å; N606-K609 HydrophobicContact CB-CB 4.41Å; N606-K609 HydrophobicContact CB-CD 4.46Å; N606-K609 PolarHBondContact O-N 2.94Å; N606-K609 VanDerWaalsContact O-O 3.11Å; K609-Y611 PolarHBondContact O-N 3.23Å; K609-L613 HydrophobicContact CD-CD2 4.08Å
610	P	84.4	Confident	94.5	Very high	56 Å²	56	47 Å²	47	36%	0.364	26%	0.256	S	S	.	.	S	Bend	trans	-72.1	-11.9	-175.1	28.9	-36.1	0	0	0	114.9	M573	M573-P610 HydrophobicContact SD-CB 3.79Å
611	Y	84.6	Confident	94.5	Very high	181 Å²	181	45.9 Å²	45.9	71%	0.71	25%	0.248	S	C	*	.	S	Bend	trans	-110.4	150	-177.6	-52	-61.5	0	0	0	111.1	K609	K609-Y611 PolarHBondContact O-N 3.23Å
612	C	93.6	Very high	94.4	Very high	43 Å²	43	49 Å²	49	29%	0.291	26%	0.262	S	S	.	.			trans	-66.5	135	178.9	58.5	0	0	0	0	111.6	K603 L604 W605	K603-C612 HydrophobicContact CB-CB 4.15Å; K603-C612 HydrophobicContact CD-CB 4.29Å; K603-C612 HydrophobicContact CG-CB 4.39Å; L604-C612 CarbonylContact O-C 3.55Å; L604-C612 VanDerWaalsContact O-CA 3.28Å; L604-C612 WeakPolarHBondContact O-CA 3.48Å; L604-C612 WeakPolarHBondContact O-CB 3.46Å; W605-C612 HydrophobicContact CD2-CB 4.06Å; W605-C612 VanDerWaalsContact CE3-CA 3.4Å; W605-C612 HydrophobicContact CE3-CB 3.59Å; W605-C612 VanDerWaalsContact CE3-N 3.34Å; W605-C612 HydrophobicContact CH2-CB 3.94Å; W605-C612 HydrophobicContact CZ2-CB 4.36Å; W605-C612 HydrophobicContact CZ3-CB 3.54Å; W605-C612 VanDerWaalsContact CZ3-N 3.32Å
613	L	92.2	Very high	94.2	Very high	79 Å²	79	56.2 Å²	56.2	41%	0.414	29%	0.294	S	S	.	.	S	Bend	trans	-66.2	-39.3	172	-62.9	-178.1	0	0	0	111.7	L604 N606 K609	L604-L613 HydrophobicContact CB-CB 4.43Å; L604-L613 HydrophobicContact CD2-CB 4.3Å; L604-L613 HydrophobicContact CD2-CD1 4.01Å; L604-L613 HydrophobicContact CG-CB 4.43Å; L604-L613 HydrophobicContact CG-CD1 4.2Å; L604-L613 PolarHBondContact O-N 3.36Å; N606-L613 HydrophobicContact CB-CD1 3.97Å; N606-L613 HydrophobicContact CB-CD2 4.26Å; N606-L613 HydrophobicContact CB-CG 4.24Å; K609-L613 HydrophobicContact CD-CD2 4.08Å
614	R	93.7	Very high	94.1	Very high	54 Å²	54	57.4 Å²	57.4	20%	0.204	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	152.5	-174.8	-177.7	166.2	-77.6	107.8	3.8	110.5	K603 L604 F616 K649 G650 L651 S652	K603-R614 WeakPolarHBondContact CA-O 3.47Å; L604-R614 HydrophobicContact CB-CB 4.27Å; L604-R614 PolarHBondContact N-O 3.03Å; R614-F616 HydrophobicContact CB-CZ 4.43Å; R614-F616 HydrophobicContact CG-CD1 4.42Å; R614-F616 HydrophobicContact CG-CE1 4.12Å; R614-F616 HydrophobicContact CG-CE2 4.45Å; R614-F616 HydrophobicContact CG-CZ 4.14Å; R614-K649 WeakPolarHBondContact CD-O 3.45Å; R614-K649 PolarHBondContact NH1-O 2.79Å; R614-G650 PolarHBondContact NH1-O 3.05Å; R614-G650 PolarHBondContact NH2-O 2.94Å; R614-L651 WeakPolarHBondContact CD-O 3.49Å; R614-S652 PolarHBondContact NE-OG 3.47Å
615	S	96.3	Very high	94.1	Very high	34 Å²	34	60.2 Å²	60.2	24%	0.238	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.2	169.4	-59.5	0	0	0	0	109.5	L602 K603	L602-S615 CarbonylContact O-C 3.53Å; L602-S615 WeakPolarHBondContact O-CA 3.34Å; K603-S615 PolarHBondContact NZ-OG 2.9Å
616	F	97.4	Very high	94.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	140.5	-179.2	-45.3	-98.1	0	0	0	110	Q601 L602 L604 R614 I635 Y647 L651 S652	Q601-F616 WeakPolarHBondContact CA-O 3.27Å; L602-F616 HydrophobicContact CB-CB 4.11Å; L602-F616 HydrophobicContact CB-CD2 3.75Å; L602-F616 HydrophobicContact CB-CG 4.34Å; L602-F616 PolarHBondContact N-O 3.23Å; L602-F616 PolarHBondContact O-N 3.35Å; L604-F616 HydrophobicContact CB-CE2 3.84Å; L604-F616 HydrophobicContact CB-CZ 4.11Å; R614-F616 HydrophobicContact CB-CZ 4.43Å; R614-F616 HydrophobicContact CG-CD1 4.42Å; R614-F616 HydrophobicContact CG-CE1 4.12Å; R614-F616 HydrophobicContact CG-CE2 4.45Å; R614-F616 HydrophobicContact CG-CZ 4.14Å; F616-I635 HydrophobicContact CE1-CD1 4.22Å; F616-I635 HydrophobicContact CE2-CD1 3.88Å; F616-I635 HydrophobicContact CZ-CD1 3.59Å; F616-Y647 HydrophobicContact CB-CD1 3.8Å; F616-Y647 HydrophobicContact CB-CD2 4.46Å; F616-Y647 HydrophobicContact CB-CE1 3.87Å; F616-Y647 HydrophobicContact CB-CG 4.11Å; F616-Y647 AromaticContact CD1-CD1 3.93Å; F616-Y647 HydrophobicContact CD1-CD1 3.93Å; F616-Y647 HydrophobicContact CD1-CG 4.05Å; F616-Y647 HydrophobicContact CG-CD1 4.28Å; F616-Y647 HydrophobicContact CG-CG 4.34Å; F616-L651 WeakPolarHBondContact CD1-O 3.2Å; F616-L651 WeakPolarHBondContact CE1-O 3.49Å; F616-S652 WeakPolarHBondContact CA-O 3.39Å
617	K	95.1	Very high	94.2	Very high	126 Å²	126	58.9 Å²	58.9	55%	0.548	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-138.2	157.4	-174.7	-67.8	-179.9	-178.6	177.9	0	111.3	Q601 Y647 S652	Q601-K617 HydrophobicContact CG-CG 4.09Å; K617-Y647 WeakPolarHBondContact O-CE1 3.31Å; K617-Y647 PolarHBondContact O-OH 3.05Å; K617-S652 PolarHBondContact N-O 2.92Å
618	G	93.8	Very high	94.4	Very high	44 Å²	44	58 Å²	58	45%	0.454	30%	0.301	S	S	.	.	S	Bend	trans	128.4	-26.2	171.7	0	0	0	0	0	114.3	Y645 Y647	G618-Y645 WeakPolarHBondContact O-CE1 3.42Å; G618-Y645 VanDerWaalsContact O-CZ 3.3Å; G618-Y645 PolarHBondContact O-OH 3.29Å; G618-Y645 VanDerWaalsContact O-OH 3.09Å; G618-Y647 PolarHBondContact N-OH 2.7Å
619	H	96.8	Very high	94.7	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.032	28%	0.275	C	S	.	.	S	Bend	trans	-72.6	160.9	160.8	64.9	-83.2	0	0	0	110.2	Y645 Y647	H619-Y645 HydrophobicContact CB-CD1 3.96Å; H619-Y645 HydrophobicContact CB-CD2 3.81Å; H619-Y645 HydrophobicContact CB-CE1 4.29Å; H619-Y645 HydrophobicContact CB-CE2 4.14Å; H619-Y645 HydrophobicContact CB-CG 3.72Å; H619-Y647 PolarHBondContact N-OH 3.43Å; H619-Y647 AromaticContact ND1-CE2 3.85Å; H619-Y647 AromaticContact ND1-CZ 3.8Å; H619-Y647 PolarHBondContact ND1-OH 3.25Å; H619-Y647 VanDerWaalsContact ND1-OH 3.08Å
620	I	97.5	Very high	94.9	Very high	80 Å²	80	51.5 Å²	51.5	41%	0.41	26%	0.261	S	S	.	.			trans	-110.8	120.5	173.8	-57.8	172.6	0	0	0	106.9	S639 E640 N641	I620-S639 PolarHBondContact N-OG 3.34Å; I620-S639 CarbonylContact O-C 3.58Å; I620-S639 WeakPolarHBondContact O-CA 3.35Å; I620-S639 PolarHBondContact O-OG 2.78Å; I620-E640 HydrophobicContact CB-CB 4.5Å; I620-E640 HydrophobicContact CG2-CB 4.18Å; I620-E640 PolarHBondContact O-N 2.78Å; I620-N641 HydrophobicContact CD1-CB 4.36Å
621	N	97.4	Very high	95.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.251	C	S	.	.			trans	-150.5	90.9	174.2	179.6	34.5	0	0	0	109.3	S597 T598 D599 S600 N624 V626 E640	S597-N621 PolarHBondContact O-ND2 3.4Å; T598-N621 CarbonylContact C-O 3.52Å; T598-N621 WeakPolarHBondContact CA-O 3.43Å; D599-N621 PolarHBondContact N-O 2.8Å; S600-N621 PolarHBondContact N-O 3.21Å; S600-N621 PolarHBondContact OG-N 3.12Å; S600-N621 PolarHBondContact OG-O 3.43Å; N621-N624 PolarHBondContact OD1-O 3.38Å; N621-V626 HydrophobicContact CB-CG1 4.48Å; N621-V626 HydrophobicContact CB-CG2 4.22Å; N621-E640 WeakPolarHBondContact CA-OE2 3.33Å
622	E	96.1	Very high	95.4	Very high	87 Å²	87	43.5 Å²	43.5	41%	0.407	24%	0.238	S	C	.	.	S	Bend	trans	-108.2	-14.3	-178.1	-71	-60.8	127.7	0	0	114	K580 T598 S600 E640	K580-E622 PolarHBondContact NZ-O 3.27Å; K580-E622 IonicContact NZ-OE2 3.05Å; K580-E622 PolarHBondContact NZ-OE2 3.33Å; T598-E622 CarbonylContact O-C 3.54Å; T598-E622 VanDerWaalsContact O-CA 3.26Å; T598-E622 WeakPolarHBondContact O-CA 3.33Å; S600-E622 WeakPolarHBondContact CB-OE1 3.47Å; S600-E622 PolarHBondContact N-OE1 3.46Å; S600-E622 PolarHBondContact OG-OE1 3.34Å; E622-E640 PolarHBondContact N-OE2 2.87Å
623	K	95.1	Very high	95.3	Very high	153 Å²	153	43 Å²	43	67%	0.665	23%	0.232	S	C	*	.	S	Bend	trans	-141.4	-42.5	-171.5	175.4	-175.3	172.5	-171.5	0	115.1	E640	K623-E640 WeakPolarHBondContact CA-OE1 3.45Å; K623-E640 WeakPolarHBondContact CB-OE1 3.48Å; K623-E640 PolarHBondContact N-OE1 2.79Å
624	N	96.6	Very high	95.4	Very high	37 Å²	37	40.1 Å²	40.1	20%	0.198	22%	0.216	C	C	.	.	S	Bend	trans	-96.7	170.4	-162.1	-65.2	-72.7	0	0	0	114.4	N621 V626 E640 F679	N621-N624 PolarHBondContact OD1-O 3.38Å; N624-V626 HydrophobicContact CB-CG1 4.2Å; N624-E640 HydrophobicContact CB-CG 4.48Å; N624-E640 WeakPolarHBondContact CB-OE1 3.39Å; N624-E640 PolarHBondContact N-OE1 3.01Å; N624-E640 PolarHBondContact ND2-OE1 3.34Å; N624-F679 HydrophobicContact CB-CD1 4.45Å; N624-F679 HydrophobicContact CB-CD2 3.81Å; N624-F679 HydrophobicContact CB-CE1 4.45Å; N624-F679 HydrophobicContact CB-CE2 3.8Å; N624-F679 HydrophobicContact CB-CG 4.15Å; N624-F679 HydrophobicContact CB-CZ 4.14Å
625	F	97.3	Very high	95.6	Very high	61 Å²	61	37.6 Å²	37.6	27%	0.268	21%	0.206	S	C	.	.			trans	-90.2	106.4	164.7	-78.6	-98.2	0	0	0	107.6	W497 C539 Y584	W497-F625 HydrophobicContact CD2-CZ 4.13Å; W497-F625 HydrophobicContact CE3-CE1 4.34Å; W497-F625 HydrophobicContact CE3-CE2 4.12Å; W497-F625 AromaticContact CE3-CZ 3.94Å; W497-F625 HydrophobicContact CE3-CZ 3.94Å; W497-F625 HydrophobicContact CH2-CD2 4.35Å; W497-F625 AromaticContact CH2-CE2 3.72Å; W497-F625 HydrophobicContact CH2-CE2 3.72Å; W497-F625 HydrophobicContact CH2-CZ 4.23Å; W497-F625 HydrophobicContact CZ2-CE2 4.19Å; W497-F625 HydrophobicContact CZ2-CZ 4.4Å; W497-F625 HydrophobicContact CZ3-CD2 4.07Å; W497-F625 AromaticContact CZ3-CE2 3.69Å; W497-F625 HydrophobicContact CZ3-CE2 3.69Å; W497-F625 HydrophobicContact CZ3-CZ 4.01Å; C539-F625 HydrophobicContact CB-CE1 4.17Å; C539-F625 HydrophobicContact CB-CZ 4.15Å; Y584-F625 HydrophobicContact CE2-CB 4.22Å; Y584-F625 AromaticContact CE2-CD1 3.93Å; Y584-F625 HydrophobicContact CE2-CD1 3.93Å; Y584-F625 AromaticContact CZ-CD1 3.99Å
626	V	97.6	Very high	95.6	Very high	1 Å²	1	36 Å²	36	1%	0.006	20%	0.196	C	C	.	.			trans	-102.9	4.8	-170	-60.4	0	0	0	0	115.1	N621 N624 G638 E640 F679 V680 S681	N621-V626 HydrophobicContact CB-CG1 4.48Å; N621-V626 HydrophobicContact CB-CG2 4.22Å; N624-V626 HydrophobicContact CB-CG1 4.2Å; V626-G638 WeakPolarHBondContact O-CA 3.28Å; V626-G638 PolarHBondContact O-N 2.6Å; V626-E640 HydrophobicContact CG1-CG 4.16Å; V626-F679 HydrophobicContact CG1-CD2 4.42Å; V626-V680 CarbonylContact C-O 3.59Å; V626-V680 WeakPolarHBondContact CA-O 3.39Å; V626-V680 VanDerWaalsContact CB-O 3.29Å; V626-V680 WeakPolarHBondContact CB-O 3.13Å; V626-S681 CarbonylContact C-O 3.43Å
627	G	97.7	Very high	95.7	Very high	2 Å²	2	36 Å²	36	2%	0.021	20%	0.196	C	C	.	.			trans	73.8	146.8	-170.9	0	0	0	0	0	114.4	Y584 C637 G638 S681	Y584-G627 VanDerWaalsContact CE2-N 3.28Å; Y584-G627 VanDerWaalsContact CZ-CA 3.49Å; Y584-G627 PolarHBondContact OH-N 3.49Å; Y584-G627 VanDerWaalsContact OH-N 3.15Å; G627-C637 WeakPolarHBondContact O-CA 3.34Å; G627-G638 PolarHBondContact O-N 3.38Å; G627-S681 PolarHBondContact N-O 2.93Å
628	L	98.6	Very high	95.8	Very high	2 Å²	2	30 Å²	30	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	129	170.4	177.4	69.8	0	0	0	108.9	Y584 K586 V594 A596 L602 I635 A636 C637	Y584-L628 HydrophobicContact CD1-CB 4.42Å; Y584-L628 HydrophobicContact CD2-CB 4.21Å; Y584-L628 HydrophobicContact CG-CB 3.84Å; K586-L628 WeakPolarHBondContact CE-O 3.46Å; K586-L628 HydrophobicContact CG-CD2 4.42Å; K586-L628 HydrophobicContact CG-CG 4.4Å; K586-L628 WeakPolarHBondContact CG-O 3.38Å; V594-L628 HydrophobicContact CG1-CD2 4.22Å; V594-L628 HydrophobicContact CG2-CD1 4.37Å; V594-L628 HydrophobicContact CG2-CD2 4.43Å; A596-L628 HydrophobicContact CB-CB 4.31Å; A596-L628 HydrophobicContact CB-CD2 4Å; L602-L628 HydrophobicContact CD1-CD1 3.91Å; L602-L628 HydrophobicContact CD2-CD1 4.03Å; L628-I635 HydrophobicContact CD1-CG2 3.9Å; L628-A636 WeakPolarHBondContact CA-O 3.19Å; L628-C637 HydrophobicContact CD1-CB 4.19Å
629	A	97.2	Very high	96	Very high	6 Å²	6	28 Å²	28	5%	0.05	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	149.5	173	0	0	0	0	0	111.1	A636 V683 W685	A629-A636 PolarHBondContact N-O 2.88Å; A629-A636 PolarHBondContact O-N 2.83Å; A629-V683 HydrophobicContact CB-CG2 3.93Å; A629-W685 PolarHBondContact O-NE1 3.34Å
630	S	94.3	Very high	96	Very high	27 Å²	27	29.7 Å²	29.7	19%	0.189	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.7	177.7	-168.7	0	0	0	0	110.2	Y634 W685	S630-Y634 VanDerWaalsContact CA-O 3.22Å; S630-Y634 WeakPolarHBondContact CA-O 3.16Å; S630-Y634 WeakPolarHBondContact CB-O 3.23Å; S630-Y634 PolarHBondContact OG-O 2.84Å; S630-W685 VanDerWaalsContact C-CD1 3.43Å
631	N	91.4	Very high	95.9	Very high	27 Å²	27	28.5 Å²	28.5	14%	0.144	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	123.4	172.3	-176.8	30.7	0	0	0	108.7	D633 Y634 W685	N631-D633 PolarHBondContact O-N 3.16Å; N631-D633 VanDerWaalsContact O-N 3.11Å; N631-Y634 PolarHBondContact N-O 3.16Å; N631-Y634 PolarHBondContact O-N 2.95Å; N631-W685 HydrophobicContact CB-CB 3.85Å; N631-W685 HydrophobicContact CB-CD2 3.58Å; N631-W685 HydrophobicContact CB-CE3 3.99Å; N631-W685 HydrophobicContact CB-CG 3.53Å
632	G	87.6	Confident	95.8	Very high	43 Å²	43	28.6 Å²	28.6	44%	0.443	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	-115.7	-173.3	0	0	0	0	0	112.1	V588	V588-G632 WeakPolarHBondContact CG1-O 3.39Å
633	D	91.2	Very high	95.9	Very high	32 Å²	32	24.7 Å²	24.7	17%	0.171	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	6.5	-178.9	-62.4	-47	0	0	0	114.8	K378 N631 Y648 K649	K378-D633 HydrophobicContact CD-CB 4.36Å; K378-D633 VanDerWaalsContact CD-OD2 3.31Å; K378-D633 WeakPolarHBondContact CD-OD2 3.5Å; K378-D633 WeakPolarHBondContact CE-OD2 3.36Å; K378-D633 IonicContact NZ-OD2 3.92Å; K378-D633 PolarHBondContact NZ-OD2 3.02Å; N631-D633 PolarHBondContact O-N 3.16Å; N631-D633 VanDerWaalsContact O-N 3.11Å; D633-Y648 HydrophobicContact CB-CD2 3.95Å; D633-Y648 HydrophobicContact CB-CE2 3.74Å; D633-Y648 WeakPolarHBondContact O-CD2 3.37Å; D633-K649 HydrophobicContact CB-CD 4.36Å; D633-K649 HydrophobicContact CB-CG 4.29Å; D633-K649 PolarHBondContact O-N 2.91Å; D633-K649 WeakPolarHBondContact OD1-CE 3.31Å; D633-K649 IonicContact OD1-NZ 2.79Å; D633-K649 PolarHBondContact OD1-NZ 3.48Å
634	Y	94.5	Very high	96	Very high	19 Å²	19	17.6 Å²	17.6	8%	0.075	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.6	-177.6	-58.5	-80.2	0	0	0	112.3	K378 Y382 S630 N631 L646 Y647 Y648 L655 W685	K378-Y634 WeakPolarHBondContact CA-OH 3.19Å; K378-Y634 PolarHBondContact O-OH 3.43Å; Y382-Y634 HydrophobicContact CD2-CD1 4.43Å; Y382-Y634 AromaticContact CD2-CE1 3.94Å; Y382-Y634 HydrophobicContact CD2-CE1 3.94Å; Y382-Y634 HydrophobicContact CD2-CE2 4.46Å; Y382-Y634 AromaticContact CD2-CZ 3.97Å; Y382-Y634 HydrophobicContact CE2-CD1 4.36Å; Y382-Y634 HydrophobicContact CE2-CD2 4.09Å; Y382-Y634 AromaticContact CE2-CE1 3.96Å; Y382-Y634 HydrophobicContact CE2-CE1 3.96Å; Y382-Y634 AromaticContact CE2-CE2 3.67Å; Y382-Y634 HydrophobicContact CE2-CE2 3.67Å; Y382-Y634 HydrophobicContact CE2-CG 4.42Å; Y382-Y634 AromaticContact CE2-CZ 3.6Å; S630-Y634 VanDerWaalsContact CA-O 3.22Å; S630-Y634 WeakPolarHBondContact CA-O 3.16Å; S630-Y634 WeakPolarHBondContact CB-O 3.23Å; S630-Y634 PolarHBondContact OG-O 2.84Å; N631-Y634 PolarHBondContact N-O 3.16Å; N631-Y634 PolarHBondContact O-N 2.95Å; Y634-L646 HydrophobicContact CD1-CD2 4.49Å; Y634-Y647 WeakPolarHBondContact CA-O 3.49Å; Y634-Y648 HydrophobicContact CE1-CD2 4.29Å; Y634-L655 HydrophobicContact CD1-CD1 4.44Å; Y634-L655 HydrophobicContact CE1-CD1 4.05Å; Y634-W685 HydrophobicContact CG-CH2 4.47Å
635	I	97.4	Very high	96.1	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	124.6	-176.7	-63.2	159.9	0	0	0	107.4	V594 L602 F616 L628 Y647 K649	V594-I635 HydrophobicContact CB-CD1 4.34Å; V594-I635 HydrophobicContact CG2-CD1 3.97Å; V594-I635 HydrophobicContact CG2-CG1 4.35Å; V594-I635 HydrophobicContact CG2-CG2 3.96Å; L602-I635 HydrophobicContact CD1-CG2 3.52Å; F616-I635 HydrophobicContact CE1-CD1 4.22Å; F616-I635 HydrophobicContact CE2-CD1 3.88Å; F616-I635 HydrophobicContact CZ-CD1 3.59Å; L628-I635 HydrophobicContact CD1-CG2 3.9Å; I635-Y647 PolarHBondContact N-O 3.27Å; I635-Y647 PolarHBondContact O-N 2.87Å; I635-K649 HydrophobicContact CD1-CB 3.87Å
636	A	97.9	Very high	96.1	Very high	2 Å²	2	14.3 Å²	14.3	2%	0.017	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.4	178.5	0	0	0	0	0	110.3	L628 A629 L644 Y645 L646 W685 L696	L628-A636 WeakPolarHBondContact CA-O 3.19Å; A629-A636 PolarHBondContact N-O 2.88Å; A629-A636 PolarHBondContact O-N 2.83Å; A636-L644 HydrophobicContact CB-CD1 4.39Å; A636-Y645 WeakPolarHBondContact CA-O 3.31Å; A636-L646 HydrophobicContact CB-CD1 4.07Å; A636-W685 HydrophobicContact CB-CZ2 4.13Å; A636-L696 HydrophobicContact CB-CD2 4.3Å
637	C	98.4	Very high	96	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	153.2	172.9	68.9	0	0	0	0	111.5	L602 G627 L628 Y645	L602-C637 HydrophobicContact CD1-CB 4.08Å; L602-C637 HydrophobicContact CD2-CB 4.17Å; G627-C637 WeakPolarHBondContact O-CA 3.34Å; L628-C637 HydrophobicContact CD1-CB 4.19Å; C637-Y645 PolarHBondContact N-O 3.11Å; C637-Y645 PolarHBondContact O-N 2.6Å
638	G	98.2	Very high	95.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	179.8	168.6	0	0	0	0	0	113.2	V626 G627 S643 V680	V626-G638 WeakPolarHBondContact O-CA 3.28Å; V626-G638 PolarHBondContact O-N 2.6Å; G627-G638 PolarHBondContact O-N 3.38Å; G638-S643 CarbonylContact C-O 3.42Å; G638-V680 VanDerWaalsContact CA-CG1 3.5Å
639	S	98	Very high	95.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	151.2	-177.9	-177	0	0	0	0	110.6	I620 N641 N642 S643 Y645 F679 V680	I620-S639 PolarHBondContact N-OG 3.34Å; I620-S639 CarbonylContact O-C 3.58Å; I620-S639 WeakPolarHBondContact O-CA 3.35Å; I620-S639 PolarHBondContact O-OG 2.78Å; S639-N641 WeakPolarHBondContact CB-OD1 3.36Å; S639-N641 PolarHBondContact O-N 3.18Å; S639-N641 PolarHBondContact OG-OD1 3.17Å; S639-N642 PolarHBondContact O-N 2.92Å; S639-S643 WeakPolarHBondContact CB-O 3.15Å; S639-S643 PolarHBondContact N-O 3.15Å; S639-Y645 VanDerWaalsContact CB-CE2 3.47Å; S639-Y645 WeakPolarHBondContact OG-CE2 3.42Å; S639-F679 WeakPolarHBondContact O-CA 3.26Å; S639-V680 PolarHBondContact O-N 3.18Å
640	E	96.7	Very high	95.2	Very high	43 Å²	43	17 Å²	17	20%	0.201	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	12.7	-178.1	-61.3	176.7	147.2	0	0	113.9	I620 N621 E622 K623 N624 V626 E678 F679	I620-E640 HydrophobicContact CB-CB 4.5Å; I620-E640 HydrophobicContact CG2-CB 4.18Å; I620-E640 PolarHBondContact O-N 2.78Å; N621-E640 WeakPolarHBondContact CA-OE2 3.33Å; E622-E640 PolarHBondContact N-OE2 2.87Å; K623-E640 WeakPolarHBondContact CA-OE1 3.45Å; K623-E640 WeakPolarHBondContact CB-OE1 3.48Å; K623-E640 PolarHBondContact N-OE1 2.79Å; N624-E640 HydrophobicContact CB-CG 4.48Å; N624-E640 WeakPolarHBondContact CB-OE1 3.39Å; N624-E640 PolarHBondContact N-OE1 3.01Å; N624-E640 PolarHBondContact ND2-OE1 3.34Å; V626-E640 HydrophobicContact CG1-CG 4.16Å; E640-E678 CarbonylContact C-O 3.53Å; E640-F679 HydrophobicContact CB-CB 4.42Å; E640-F679 HydrophobicContact CG-CB 4.19Å
641	N	94.7	Very high	95	Very high	55 Å²	55	15.8 Å²	15.8	29%	0.294	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	37	167.3	62.8	-8.3	0	0	0	111.2	I620 S639 S643 Y645	I620-N641 HydrophobicContact CD1-CB 4.36Å; S639-N641 WeakPolarHBondContact CB-OD1 3.36Å; S639-N641 PolarHBondContact O-N 3.18Å; S639-N641 PolarHBondContact OG-OD1 3.17Å; N641-S643 PolarHBondContact O-N 3.48Å; N641-S643 VanDerWaalsContact O-N 3.12Å; N641-S643 PolarHBondContact O-OG 2.94Å; N641-S643 WeakPolarHBondContact OD1-CB 3.46Å; N641-Y645 PolarHBondContact ND2-OH 3.21Å
642	N	95.9	Very high	95	Very high	4 Å²	4	16 Å²	16	2%	0.021	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.7	43.6	-176.6	-158.9	15.9	0	0	0	113.8	S639 F660 T662 E678 N700	S639-N642 PolarHBondContact O-N 2.92Å; N642-F660 WeakPolarHBondContact O-CB 3.47Å; N642-F660 PolarHBondContact O-N 2.82Å; N642-F660 WeakPolarHBondContact OD1-CB 3.34Å; N642-T662 PolarHBondContact ND2-OG1 2.8Å; N642-E678 HydrophobicContact CB-CB 3.88Å; N642-E678 PolarHBondContact N-O 3.26Å; N642-E678 PolarHBondContact ND2-OE2 2.7Å; N642-N700 WeakPolarHBondContact OD1-CB 3.34Å; N642-N700 PolarHBondContact OD1-ND2 3.39Å
643	S	96.7	Very high	95	Very high	5 Å²	5	17.7 Å²	17.7	4%	0.035	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	147	-174.8	-56.4	0	0	0	0	112.6	G638 S639 N641 F658	G638-S643 CarbonylContact C-O 3.42Å; S639-S643 WeakPolarHBondContact CB-O 3.15Å; S639-S643 PolarHBondContact N-O 3.15Å; N641-S643 PolarHBondContact O-N 3.48Å; N641-S643 VanDerWaalsContact O-N 3.12Å; N641-S643 PolarHBondContact O-OG 2.94Å; N641-S643 WeakPolarHBondContact OD1-CB 3.46Å; S643-F658 CarbonylContact C-O 3.52Å; S643-F658 VanDerWaalsContact CA-O 3.29Å; S643-F658 WeakPolarHBondContact CA-O 3.48Å; S643-F658 WeakPolarHBondContact CB-O 3.38Å
644	L	97.9	Very high	95.1	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.021	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.4	171.2	175.4	77.4	0	0	0	109.5	A636 T657 F658 V683 L696 A698 L708	A636-L644 HydrophobicContact CB-CD1 4.39Å; L644-T657 CarbonylContact O-C 3.56Å; L644-T657 VanDerWaalsContact O-CA 3.28Å; L644-T657 WeakPolarHBondContact O-CA 3.37Å; L644-T657 WeakPolarHBondContact O-CG2 3.33Å; L644-F658 HydrophobicContact CB-CB 4.29Å; L644-F658 PolarHBondContact N-O 3.48Å; L644-F658 PolarHBondContact O-N 3.46Å; L644-V683 HydrophobicContact CD1-CB 4.29Å; L644-V683 HydrophobicContact CD1-CG1 3.46Å; L644-V683 VanDerWaalsContact CD1-CG1 3.46Å; L644-L696 HydrophobicContact CD2-CD1 3.54Å; L644-L696 HydrophobicContact CD2-CD2 4.31Å; L644-A698 HydrophobicContact CD1-CB 4.21Å; L644-A698 HydrophobicContact CD2-CB 4.26Å; L644-L708 HydrophobicContact CD2-CD1 3.69Å
645	Y	98.1	Very high	95	Very high	25 Å²	25	17.4 Å²	17.4	10%	0.098	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.8	177.5	-78	-113.1	0	0	0	110.6	G618 H619 A636 C637 S639 N641 T654 T657	G618-Y645 WeakPolarHBondContact O-CE1 3.42Å; G618-Y645 VanDerWaalsContact O-CZ 3.3Å; G618-Y645 PolarHBondContact O-OH 3.29Å; G618-Y645 VanDerWaalsContact O-OH 3.09Å; H619-Y645 HydrophobicContact CB-CD1 3.96Å; H619-Y645 HydrophobicContact CB-CD2 3.81Å; H619-Y645 HydrophobicContact CB-CE1 4.29Å; H619-Y645 HydrophobicContact CB-CE2 4.14Å; H619-Y645 HydrophobicContact CB-CG 3.72Å; A636-Y645 WeakPolarHBondContact CA-O 3.31Å; C637-Y645 PolarHBondContact N-O 3.11Å; C637-Y645 PolarHBondContact O-N 2.6Å; S639-Y645 VanDerWaalsContact CB-CE2 3.47Å; S639-Y645 WeakPolarHBondContact OG-CE2 3.42Å; N641-Y645 PolarHBondContact ND2-OH 3.21Å; Y645-T654 HydrophobicContact CD1-CG2 3.53Å; Y645-T654 HydrophobicContact CE1-CG2 4.22Å; Y645-T654 HydrophobicContact CG-CG2 4.37Å; Y645-T657 HydrophobicContact CD2-CG2 4.13Å; Y645-T657 HydrophobicContact CE1-CG2 4.43Å; Y645-T657 HydrophobicContact CE2-CG2 3.9Å
646	L	97.1	Very high	94.7	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.016	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136	173.3	-169.1	73.5	0	0	0	110.8	Y634 A636 L655 L656 W685 L710	Y634-L646 HydrophobicContact CD1-CD2 4.49Å; A636-L646 HydrophobicContact CB-CD1 4.07Å; L646-L655 HydrophobicContact CD2-CD2 4.45Å; L646-L655 WeakPolarHBondContact O-CB 3.35Å; L646-L655 PolarHBondContact O-N 3.19Å; L646-L656 HydrophobicContact CB-CD1 3.55Å; L646-L656 HydrophobicContact CB-CG 3.9Å; L646-L656 HydrophobicContact CD2-CD1 3.88Å; L646-L656 HydrophobicContact CD2-CD2 4.03Å; L646-L656 HydrophobicContact CD2-CG 3.8Å; L646-L656 HydrophobicContact CG-CD1 4.35Å; L646-L656 HydrophobicContact CG-CG 4.47Å; L646-L656 PolarHBondContact N-O 3.46Å; L646-L656 PolarHBondContact O-N 2.85Å; L646-W685 HydrophobicContact CD1-CH2 3.7Å; L646-W685 HydrophobicContact CD1-CZ2 3.54Å; L646-L710 HydrophobicContact CD1-CD1 4.44Å; L646-L710 HydrophobicContact CD2-CD1 3.59Å; L646-L710 HydrophobicContact CD2-CD2 4.15Å
647	Y	96.2	Very high	94.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.5	173.9	-62.2	-86.3	0	0	0	110.1	L602 F616 K617 G618 H619 Y634 I635 T654	L602-Y647 HydrophobicContact CD1-CD2 4.05Å; L602-Y647 HydrophobicContact CD1-CE2 4.22Å; F616-Y647 HydrophobicContact CB-CD1 3.8Å; F616-Y647 HydrophobicContact CB-CD2 4.46Å; F616-Y647 HydrophobicContact CB-CE1 3.87Å; F616-Y647 HydrophobicContact CB-CG 4.11Å; F616-Y647 AromaticContact CD1-CD1 3.93Å; F616-Y647 HydrophobicContact CD1-CD1 3.93Å; F616-Y647 HydrophobicContact CD1-CG 4.05Å; F616-Y647 HydrophobicContact CG-CD1 4.28Å; F616-Y647 HydrophobicContact CG-CG 4.34Å; K617-Y647 WeakPolarHBondContact O-CE1 3.31Å; K617-Y647 PolarHBondContact O-OH 3.05Å; G618-Y647 PolarHBondContact N-OH 2.7Å; H619-Y647 PolarHBondContact N-OH 3.43Å; H619-Y647 AromaticContact ND1-CE2 3.85Å; H619-Y647 AromaticContact ND1-CZ 3.8Å; H619-Y647 PolarHBondContact ND1-OH 3.25Å; H619-Y647 VanDerWaalsContact ND1-OH 3.08Å; Y634-Y647 WeakPolarHBondContact CA-O 3.49Å; I635-Y647 PolarHBondContact N-O 3.27Å; I635-Y647 PolarHBondContact O-N 2.87Å; Y647-T654 VanDerWaalsContact CE1-CA 3.47Å; Y647-T654 WeakPolarHBondContact CE1-OG1 3.44Å; Y647-T654 PolarHBondContact OH-OG1 3.47Å
648	Y	94.1	Very high	94.5	Very high	20 Å²	20	22.2 Å²	22.2	8%	0.078	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.1	164.3	160	-110	0	0	0	108	K378 F379 D633 Y634 G650 L651	K378-Y648 HydrophobicContact CB-CD2 3.95Å; K378-Y648 HydrophobicContact CB-CE2 3.51Å; K378-Y648 HydrophobicContact CD-CE2 3.8Å; K378-Y648 HydrophobicContact CG-CE2 4.29Å; F379-Y648 HydrophobicContact CB-CD1 4.3Å; D633-Y648 HydrophobicContact CB-CD2 3.95Å; D633-Y648 HydrophobicContact CB-CE2 3.74Å; D633-Y648 WeakPolarHBondContact O-CD2 3.37Å; Y634-Y648 HydrophobicContact CE1-CD2 4.29Å; Y648-G650 VanDerWaalsContact CE1-CA 3.41Å; Y648-G650 PolarHBondContact O-N 3.35Å; Y648-L651 HydrophobicContact CD1-CB 4.24Å; Y648-L651 HydrophobicContact CD1-CD1 4.16Å; Y648-L651 HydrophobicContact CD1-CG 4.05Å; Y648-L651 HydrophobicContact CE1-CG 4.37Å; Y648-L651 PolarHBondContact O-N 3.38Å
649	K	93	Very high	94.3	Very high	39 Å²	39	29 Å²	29	17%	0.17	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.2	-168.1	80.5	178.3	-169.7	-161	0	114.4	V588 E592 L604 R614 D633 I635	V588-K649 HydrophobicContact CG1-CD 3.88Å; E592-K649 IonicContact OE1-NZ 2.64Å; E592-K649 WeakPolarHBondContact OE2-CE 3.49Å; E592-K649 IonicContact OE2-NZ 3.19Å; E592-K649 PolarHBondContact OE2-NZ 3.2Å; L604-K649 HydrophobicContact CD2-CB 4.37Å; R614-K649 WeakPolarHBondContact CD-O 3.45Å; R614-K649 PolarHBondContact NH1-O 2.79Å; D633-K649 HydrophobicContact CB-CD 4.36Å; D633-K649 HydrophobicContact CB-CG 4.29Å; D633-K649 PolarHBondContact O-N 2.91Å; D633-K649 WeakPolarHBondContact OD1-CE 3.31Å; D633-K649 IonicContact OD1-NZ 2.79Å; D633-K649 PolarHBondContact OD1-NZ 3.48Å; I635-K649 HydrophobicContact CD1-CB 3.87Å
650	G	89.3	Confident	94.1	Very high	10 Å²	10	29.1 Å²	29.1	10%	0.103	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-7.8	177.7	0	0	0	0	0	115.7	R614 Y648	R614-G650 PolarHBondContact NH1-O 3.05Å; R614-G650 PolarHBondContact NH2-O 2.94Å; Y648-G650 VanDerWaalsContact CE1-CA 3.41Å; Y648-G650 PolarHBondContact O-N 3.35Å
651	L	90.1	Very high	93.7	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.16	C	C	.	.			trans	-135.6	152.2	-178.1	-69.1	172.5	0	0	0	112	D346 L347 C350 F379 R614 F616 Y648	D346-L651 HydrophobicContact CB-CD2 4.17Å; D346-L651 WeakPolarHBondContact O-CD2 3.4Å; L347-L651 HydrophobicContact CD2-CD1 3.86Å; L347-L651 HydrophobicContact CD2-CD2 4Å; L347-L651 HydrophobicContact CD2-CG 4.5Å; L347-L651 HydrophobicContact CG-CD1 4.21Å; L347-L651 HydrophobicContact CG-CD2 4.11Å; C350-L651 HydrophobicContact CB-CD2 4.16Å; F379-L651 HydrophobicContact CB-CD1 3.84Å; F379-L651 HydrophobicContact CD1-CD1 4.18Å; F379-L651 HydrophobicContact CD2-CD1 3.49Å; F379-L651 VanDerWaalsContact CD2-CD1 3.49Å; F379-L651 HydrophobicContact CE2-CD1 4.11Å; F379-L651 HydrophobicContact CG-CD1 3.54Å; R614-L651 WeakPolarHBondContact CD-O 3.49Å; F616-L651 WeakPolarHBondContact CD1-O 3.2Å; F616-L651 WeakPolarHBondContact CE1-O 3.49Å; Y648-L651 HydrophobicContact CD1-CB 4.24Å; Y648-L651 HydrophobicContact CD1-CD1 4.16Å; Y648-L651 HydrophobicContact CD1-CG 4.05Å; Y648-L651 HydrophobicContact CE1-CG 4.37Å; Y648-L651 PolarHBondContact O-N 3.38Å
652	S	91	Very high	92.7	Very high	32 Å²	32	31.5 Å²	31.5	22%	0.224	16%	0.162	C	C	.	.	S	Bend	trans	-94.4	-28.2	-168.1	-36.3	0	0	0	0	113	D346 R614 F616 K617	D346-S652 VanDerWaalsContact CG-N 3.34Å; D346-S652 VanDerWaalsContact OD1-CB 3.24Å; D346-S652 WeakPolarHBondContact OD1-CB 3.49Å; D346-S652 PolarHBondContact OD1-N 3.35Å; D346-S652 VanDerWaalsContact OD1-N 3.14Å; D346-S652 PolarHBondContact OD1-OG 3Å; D346-S652 WeakPolarHBondContact OD2-CA 3.37Å; D346-S652 PolarHBondContact OD2-N 2.76Å; R614-S652 PolarHBondContact NE-OG 3.47Å; F616-S652 WeakPolarHBondContact CA-O 3.39Å; K617-S652 PolarHBondContact N-O 2.92Å
653	K	89.6	Confident	91.2	Very high	77 Å²	77	36 Å²	36	34%	0.335	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-84.1	149.8	176.5	-64.5	-179.2	-176.7	-173.6	0	112	A342 E345 D346	A342-K653 PolarHBondContact O-NZ 3.26Å; A342-K653 VanDerWaalsContact O-NZ 3.1Å; E345-K653 IonicContact OE2-NZ 3.82Å; E345-K653 PolarHBondContact OE2-NZ 3.12Å; D346-K653 HydrophobicContact CB-CD 4.39Å; D346-K653 HydrophobicContact CB-CG 4.48Å; D346-K653 PolarHBondContact OD2-N 3.01Å
654	T	92.8	Very high	89.3	Confident	30 Å²	30	42.4 Å²	42.4	18%	0.184	22%	0.217	C	C	.	.			trans	-56.5	130.8	177.5	-48.9	0	0	0	0	112.6	H343 Y645 Y647 L656	H343-T654 PolarHBondContact CE1-O 3.46Å; H343-T654 PolarHBondContact NE2-O 2.81Å; Y645-T654 HydrophobicContact CD1-CG2 3.53Å; Y645-T654 HydrophobicContact CE1-CG2 4.22Å; Y645-T654 HydrophobicContact CG-CG2 4.37Å; Y647-T654 VanDerWaalsContact CE1-CA 3.47Å; Y647-T654 WeakPolarHBondContact CE1-OG1 3.44Å; Y647-T654 PolarHBondContact OH-OG1 3.47Å; T654-L656 VanDerWaalsContact CG2-O 3.3Å; T654-L656 WeakPolarHBondContact CG2-O 3.24Å
655	L	91.1	Very high	87.2	Confident	15 Å²	15	44.8 Å²	44.8	8%	0.079	23%	0.234	C	C	.	.	S	Bend	trans	-79.2	-48.2	177.5	-168.3	160	0	0	0	111.6	F379 Y634 L646	F379-L655 HydrophobicContact CD2-CD1 4.17Å; F379-L655 HydrophobicContact CD2-CG 4.18Å; F379-L655 HydrophobicContact CE2-CG 4.33Å; Y634-L655 HydrophobicContact CD1-CD1 4.44Å; Y634-L655 HydrophobicContact CE1-CD1 4.05Å; L646-L655 HydrophobicContact CD2-CD2 4.45Å; L646-L655 WeakPolarHBondContact O-CB 3.35Å; L646-L655 PolarHBondContact O-N 3.19Å
656	L	91.6	Very high	84.8	Confident	21 Å²	21	49.3 Å²	49.3	11%	0.11	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	163.9	173.9	58.5	78.3	0	0	0	111.4	V385 L646 T654 L710	V385-L656 HydrophobicContact CG1-CD1 3.64Å; V385-L656 HydrophobicContact CG2-CD1 4.4Å; L646-L656 HydrophobicContact CB-CD1 3.55Å; L646-L656 HydrophobicContact CB-CG 3.9Å; L646-L656 HydrophobicContact CD2-CD1 3.88Å; L646-L656 HydrophobicContact CD2-CD2 4.03Å; L646-L656 HydrophobicContact CD2-CG 3.8Å; L646-L656 HydrophobicContact CG-CD1 4.35Å; L646-L656 HydrophobicContact CG-CG 4.47Å; L646-L656 PolarHBondContact N-O 3.46Å; L646-L656 PolarHBondContact O-N 2.85Å; T654-L656 VanDerWaalsContact CG2-O 3.3Å; T654-L656 WeakPolarHBondContact CG2-O 3.24Å; L656-L710 HydrophobicContact CD1-CD2 4.28Å; L656-L710 HydrophobicContact CD2-CD2 4.33Å
657	T	95.3	Very high	82.7	Confident	61 Å²	61	56.5 Å²	56.5	37%	0.374	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	134.7	179.5	-60.5	0	0	0	0	109.3	L644 Y645	L644-T657 CarbonylContact O-C 3.56Å; L644-T657 VanDerWaalsContact O-CA 3.28Å; L644-T657 WeakPolarHBondContact O-CA 3.37Å; L644-T657 WeakPolarHBondContact O-CG2 3.33Å; Y645-T657 HydrophobicContact CD2-CG2 4.13Å; Y645-T657 HydrophobicContact CE1-CG2 4.43Å; Y645-T657 HydrophobicContact CE2-CG2 3.9Å
658	F	96.5	Very high	80.7	Confident	21 Å²	21	59.4 Å²	59.4	9%	0.092	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.6	169.8	177.5	-91.7	0	0	0	108.8	V385 P387 S643 L644 F660 K706 L708	V385-F658 HydrophobicContact CB-CB 4.32Å; V385-F658 HydrophobicContact CB-CD2 4.08Å; V385-F658 HydrophobicContact CG1-CB 4.35Å; V385-F658 HydrophobicContact CG2-CB 4.01Å; V385-F658 HydrophobicContact CG2-CD2 4.01Å; P387-F658 HydrophobicContact CG-CE2 3.79Å; P387-F658 HydrophobicContact CG-CZ 4.11Å; S643-F658 CarbonylContact C-O 3.52Å; S643-F658 VanDerWaalsContact CA-O 3.29Å; S643-F658 WeakPolarHBondContact CA-O 3.48Å; S643-F658 WeakPolarHBondContact CB-O 3.38Å; L644-F658 HydrophobicContact CB-CB 4.29Å; L644-F658 PolarHBondContact N-O 3.48Å; L644-F658 PolarHBondContact O-N 3.46Å; F658-F660 AromaticContact CD1-CD2 3.93Å; F658-F660 HydrophobicContact CD1-CD2 3.93Å; F658-F660 AromaticContact CD1-CE2 3.92Å; F658-F660 HydrophobicContact CD1-CE2 3.92Å; F658-F660 AromaticContact CE1-CD2 3.88Å; F658-F660 HydrophobicContact CE1-CD2 3.88Å; F658-F660 HydrophobicContact CE1-CE2 4.02Å; F658-F660 HydrophobicContact CE1-CG 4.22Å; F658-F660 HydrophobicContact CE1-CZ 4.48Å; F658-K706 HydrophobicContact CE1-CD 3.71Å; F658-K706 HydrophobicContact CZ-CD 3.63Å; F658-L708 HydrophobicContact CB-CD1 4.38Å; F658-L708 HydrophobicContact CD1-CD1 3.74Å; F658-L708 HydrophobicContact CD1-CD2 4.23Å; F658-L708 HydrophobicContact CD2-CD2 4.09Å; F658-L708 HydrophobicContact CE1-CD1 4.21Å; F658-L708 HydrophobicContact CE1-CD2 4.04Å; F658-L708 HydrophobicContact CE2-CD2 3.89Å; F658-L708 HydrophobicContact CG-CD1 3.94Å; F658-L708 HydrophobicContact CG-CD2 4.27Å; F658-L708 HydrophobicContact CZ-CD2 3.88Å
659	K	95.5	Very high	78.6	Confident	142 Å²	142	66.6 Å²	66.6	62%	0.617	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	134.5	175.4	-177.1	173.9	-179.1	-173.8	0	109.8
660	F	93.8	Very high	76.7	Confident	3 Å²	3	72.6 Å²	72.6	1%	0.013	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-77.6	148.3	173.1	-81.3	-111.2	0	0	0	111.5	N642 F658 T662 V680 A698 N700 T704 K706	N642-F660 WeakPolarHBondContact O-CB 3.47Å; N642-F660 PolarHBondContact O-N 2.82Å; N642-F660 WeakPolarHBondContact OD1-CB 3.34Å; F658-F660 AromaticContact CD1-CD2 3.93Å; F658-F660 HydrophobicContact CD1-CD2 3.93Å; F658-F660 AromaticContact CD1-CE2 3.92Å; F658-F660 HydrophobicContact CD1-CE2 3.92Å; F658-F660 AromaticContact CE1-CD2 3.88Å; F658-F660 HydrophobicContact CE1-CD2 3.88Å; F658-F660 HydrophobicContact CE1-CE2 4.02Å; F658-F660 HydrophobicContact CE1-CG 4.22Å; F658-F660 HydrophobicContact CE1-CZ 4.48Å; F660-T662 PolarHBondContact O-N 3.47Å; F660-V680 HydrophobicContact CD2-CG2 3.54Å; F660-V680 HydrophobicContact CE2-CG2 3.51Å; F660-V680 HydrophobicContact CG-CG2 4.43Å; F660-V680 HydrophobicContact CZ-CG2 4.37Å; F660-A698 HydrophobicContact CE2-CB 4.2Å; F660-A698 HydrophobicContact CZ-CB 3.83Å; F660-N700 HydrophobicContact CD1-CB 4.26Å; F660-N700 HydrophobicContact CE1-CB 4.49Å; F660-T704 HydrophobicContact CD1-CG2 4.21Å; F660-K706 HydrophobicContact CD1-CD 4.27Å; F660-K706 HydrophobicContact CE1-CB 4.27Å; F660-K706 HydrophobicContact CE1-CD 4.17Å; F660-K706 HydrophobicContact CE1-CG 4.09Å; F660-K706 HydrophobicContact CZ-CB 4.47Å
661	D	87.1	Confident	74.9	Confident	92 Å²	92	80.1 Å²	80.1	49%	0.492	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-72.4	118.4	172.3	-43	-69.6	0	0	0	109.3	V663 K706	D661-V663 PolarHBondContact O-N 3.05Å; D661-K706 WeakPolarHBondContact OD2-CE 3.3Å; D661-K706 IonicContact OD2-NZ 3.88Å; D661-K706 PolarHBondContact OD2-NZ 2.89Å
662	T	74.1	Confident	73	Confident	56 Å²	56	87.2 Å²	87.2	34%	0.344	44%	0.439	S	S	.	.			trans	-79	100.9	171.6	-69.1	0	0	0	0	108.7	N642 F660 K664 E678	N642-T662 PolarHBondContact ND2-OG1 2.8Å; F660-T662 PolarHBondContact O-N 3.47Å; T662-K664 PolarHBondContact O-N 3.07Å; T662-E678 WeakPolarHBondContact CB-OE2 3.5Å; T662-E678 VanDerWaalsContact CG2-OE2 3.26Å; T662-E678 WeakPolarHBondContact CG2-OE2 3.21Å; T662-E678 PolarHBondContact OG1-OE2 2.91Å
663	V	65.1	Low	70.9	Confident	98 Å²	98	92.5 Å²	92.5	59%	0.594	46%	0.46	S	S	*	.			trans	-75	111.1	179.4	-175.4	0	0	0	0	109.4	D661 S665	D661-V663 PolarHBondContact O-N 3.05Å; V663-S665 PolarHBondContact O-N 2.85Å
664	K	56.2	Low	68.8	Low	141 Å²	141	96.1 Å²	96.1	61%	0.613	48%	0.483	S	S	*	.			trans	-79.2	115.7	174.5	-65.3	-174.6	-179.9	-178.1	0	109.9	T662 E673	T662-K664 PolarHBondContact O-N 3.07Å; K664-E673 IonicContact NZ-OE1 2.6Å; K664-E673 PolarHBondContact NZ-OE1 3.31Å
665	S	53.6	Low	66.8	Low	54 Å²	54	99.8 Å²	99.8	38%	0.378	50%	0.501	S	S	.	.			trans	-61	143.6	171.3	-176.8	0	0	0	0	110.8	V663 L667 D668	V663-S665 PolarHBondContact O-N 2.85Å; S665-L667 PolarHBondContact O-N 3.19Å; S665-L667 VanDerWaalsContact O-N 3.1Å; S665-L667 PolarHBondContact OG-N 3.12Å; S665-D668 VanDerWaalsContact CB-OD2 3.27Å; S665-D668 WeakPolarHBondContact CB-OD2 3.25Å; S665-D668 PolarHBondContact O-N 3.06Å
666	V	48.6	Very low	65.3	Low	119 Å²	119	102.3 Å²	102.3	72%	0.721	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.5	174.9	179.7	0	0	0	0	111.8
667	L	52.7	Low	64.7	Low	155 Å²	155	107.3 Å²	107.3	81%	0.812	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-16.5	176.4	-57.9	176.7	0	0	0	113.8	S665 K669	S665-L667 PolarHBondContact O-N 3.19Å; S665-L667 VanDerWaalsContact O-N 3.1Å; S665-L667 PolarHBondContact OG-N 3.12Å; L667-K669 VanDerWaalsContact C-N 3.32Å; L667-K669 PolarHBondContact O-N 3.09Å
668	D	54.1	Low	64.5	Low	61 Å²	61	105.5 Å²	105.5	33%	0.326	53%	0.532	S	S	.	.			trans	-92.2	20.6	-174.7	-80.6	-49.1	0	0	0	113.7	S665 D670 R671	S665-D668 VanDerWaalsContact CB-OD2 3.27Å; S665-D668 WeakPolarHBondContact CB-OD2 3.25Å; S665-D668 PolarHBondContact O-N 3.06Å; D668-D670 PolarHBondContact O-N 3.05Å; D668-R671 PolarHBondContact O-N 3.4Å; D668-R671 WeakPolarHBondContact OD1-CD 3.43Å; D668-R671 IonicContact OD1-CZ 3.04Å; D668-R671 VanDerWaalsContact OD1-CZ 3.28Å; D668-R671 IonicContact OD1-NE 2.63Å; D668-R671 IonicContact OD1-NH1 3.68Å; D668-R671 PolarHBondContact OD1-NH1 3.15Å; D668-R671 IonicContact OD2-NH1 2.89Å
669	K	50.5	Low	64.5	Low	171 Å²	171	105.5 Å²	105.5	74%	0.743	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.3	-176.6	-74.7	-178.5	179.4	-179.6	0	114.9	L667	L667-K669 VanDerWaalsContact C-N 3.32Å; L667-K669 PolarHBondContact O-N 3.09Å
670	D	52.4	Low	64.6	Low	164 Å²	164	98.8 Å²	98.8	88%	0.877	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	0.5	-178.6	-58.8	-47.8	0	0	0	113.7	D668	D668-D670 PolarHBondContact O-N 3.05Å
671	R	51.2	Low	64.8	Low	168 Å²	168	98.7 Å²	98.7	63%	0.634	50%	0.502	S	S	*	.	S	Bend	trans	-82.1	133.2	173	-78	-171.1	168.3	135.9	3.5	111.1	D668	D668-R671 PolarHBondContact O-N 3.4Å; D668-R671 WeakPolarHBondContact OD1-CD 3.43Å; D668-R671 IonicContact OD1-CZ 3.04Å; D668-R671 VanDerWaalsContact OD1-CZ 3.28Å; D668-R671 IonicContact OD1-NE 2.63Å; D668-R671 IonicContact OD1-NH1 3.68Å; D668-R671 PolarHBondContact OD1-NH1 3.15Å; D668-R671 IonicContact OD2-NH1 2.89Å
672	K	49.6	Very low	65.3	Low	151 Å²	151	94.4 Å²	94.4	66%	0.657	48%	0.48	S	S	*	.			trans	-72.8	148.2	172.5	-65.6	-179.2	179.8	179.7	0	110.4	D674 D675	K672-D674 PolarHBondContact O-N 3.03Å; K672-D675 PolarHBondContact O-N 3.03Å; K672-D675 VanDerWaalsContact O-N 3.15Å
673	E	47.4	Very low	66.5	Low	142 Å²	142	92.1 Å²	92.1	66%	0.664	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-65.5	-22.3	-179.6	-59.7	-171.6	128.8	0	0	112.9	K664 D675 T676	K664-E673 IonicContact NZ-OE1 2.6Å; K664-E673 PolarHBondContact NZ-OE1 3.31Å; E673-D675 VanDerWaalsContact C-N 3.31Å; E673-D675 PolarHBondContact O-N 3.13Å; E673-T676 PolarHBondContact O-OG1 3.27Å; E673-T676 VanDerWaalsContact O-OG1 3.05Å
674	D	45.9	Very low	68.1	Low	154 Å²	154	87.8 Å²	87.8	82%	0.824	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-73	-15.7	175.8	-60.4	-54.4	0	0	0	114.2	K672	K672-D674 PolarHBondContact O-N 3.03Å
675	D	50.6	Low	70	Confident	106 Å²	106	81.6 Å²	81.6	57%	0.567	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-87.7	-13.7	-176.7	-81.4	-55	0	0	0	113.7	K672 E673 N677	K672-D675 PolarHBondContact O-N 3.03Å; K672-D675 VanDerWaalsContact O-N 3.15Å; E673-D675 VanDerWaalsContact C-N 3.31Å; E673-D675 PolarHBondContact O-N 3.13Å; D675-N677 PolarHBondContact O-N 3.5Å; D675-N677 PolarHBondContact O-ND2 3.39Å
676	T	59.9	Low	71.9	Confident	68 Å²	68	80.6 Å²	80.6	42%	0.417	40%	0.401	S	S	.	.			trans	-74.9	84.3	-178.5	47.2	0	0	0	0	112.1	E673 E678	E673-T676 PolarHBondContact O-OG1 3.27Å; E673-T676 VanDerWaalsContact O-OG1 3.05Å; T676-E678 PolarHBondContact O-N 2.85Å
677	N	79.7	Confident	73.8	Confident	127 Å²	127	77.4 Å²	77.4	68%	0.679	39%	0.387	S	S	*	.			trans	-73.1	60.2	176	-77.6	-107	0	0	0	111.8	D675	D675-N677 PolarHBondContact O-N 3.5Å; D675-N677 PolarHBondContact O-ND2 3.39Å
678	E	91.1	Very high	75.2	Confident	23 Å²	23	72.8 Å²	72.8	11%	0.107	36%	0.362	C	S	.	.			trans	-94.7	131.7	-172.8	-69.6	174.3	-172.7	0	0	113.2	E640 N642 T662 T676 S701 Q702	E640-E678 CarbonylContact C-O 3.53Å; N642-E678 HydrophobicContact CB-CB 3.88Å; N642-E678 PolarHBondContact N-O 3.26Å; N642-E678 PolarHBondContact ND2-OE2 2.7Å; T662-E678 WeakPolarHBondContact CB-OE2 3.5Å; T662-E678 VanDerWaalsContact CG2-OE2 3.26Å; T662-E678 WeakPolarHBondContact CG2-OE2 3.21Å; T662-E678 PolarHBondContact OG1-OE2 2.91Å; T676-E678 PolarHBondContact O-N 2.85Å; E678-S701 WeakPolarHBondContact CA-OG 3.36Å; E678-Q702 VanDerWaalsContact CD-NE2 3.33Å; E678-Q702 HydrophobicContact CG-CG 4.24Å; E678-Q702 PolarHBondContact OE1-NE2 3.49Å
679	F	95.9	Very high	76.1	Confident	21 Å²	21	75 Å²	75	9%	0.092	38%	0.38	C	S	.	.			trans	-137	143.5	-177.8	62.2	-83.4	0	0	0	111.4	I403 N624 V626 S639 E640 S681 N700 S701	I403-F679 HydrophobicContact CD1-CZ 4.27Å; I403-F679 HydrophobicContact CG2-CE2 4.48Å; I403-F679 HydrophobicContact CG2-CZ 4.27Å; N624-F679 HydrophobicContact CB-CD1 4.45Å; N624-F679 HydrophobicContact CB-CD2 3.81Å; N624-F679 HydrophobicContact CB-CE1 4.45Å; N624-F679 HydrophobicContact CB-CE2 3.8Å; N624-F679 HydrophobicContact CB-CG 4.15Å; N624-F679 HydrophobicContact CB-CZ 4.14Å; V626-F679 HydrophobicContact CG1-CD2 4.42Å; S639-F679 WeakPolarHBondContact O-CA 3.26Å; E640-F679 HydrophobicContact CB-CB 4.42Å; E640-F679 HydrophobicContact CG-CB 4.19Å; F679-S681 PolarHBondContact O-N 2.92Å; F679-N700 CarbonylContact O-C 3.59Å; F679-N700 WeakPolarHBondContact O-CA 3.47Å; F679-N700 WeakPolarHBondContact O-CB 3.48Å; F679-S701 PolarHBondContact N-OG 3.17Å; F679-S701 VanDerWaalsContact N-OG 3.09Å; F679-S701 PolarHBondContact O-N 3.1Å; F679-S701 PolarHBondContact O-OG 2.88Å
680	V	97.8	Very high	76.9	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	129.8	163.6	171.4	0	0	0	0	107.4	V626 G638 S639 F660 V683 N700	V626-V680 CarbonylContact C-O 3.59Å; V626-V680 WeakPolarHBondContact CA-O 3.39Å; V626-V680 VanDerWaalsContact CB-O 3.29Å; V626-V680 WeakPolarHBondContact CB-O 3.13Å; G638-V680 VanDerWaalsContact CA-CG1 3.5Å; S639-V680 PolarHBondContact O-N 3.18Å; F660-V680 HydrophobicContact CD2-CG2 3.54Å; F660-V680 HydrophobicContact CE2-CG2 3.51Å; F660-V680 HydrophobicContact CG-CG2 4.43Å; F660-V680 HydrophobicContact CZ-CG2 4.37Å; V680-V683 HydrophobicContact CG1-CG1 3.81Å; V680-N700 HydrophobicContact CG2-CB 4.44Å
681	S	97.7	Very high	77.2	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.007	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-23.7	-164.7	60.8	0	0	0	0	114.1	V404 V626 G627 F679 A699 N700	V404-S681 VanDerWaalsContact O-CB 3.23Å; V404-S681 WeakPolarHBondContact O-CB 3.5Å; V404-S681 PolarHBondContact O-OG 3.41Å; V626-S681 CarbonylContact C-O 3.43Å; G627-S681 PolarHBondContact N-O 2.93Å; F679-S681 PolarHBondContact O-N 2.92Å; S681-A699 PolarHBondContact N-O 2.95Å; S681-A699 PolarHBondContact OG-O 3.26Å; S681-N700 VanDerWaalsContact OG-C 3.31Å; S681-N700 PolarHBondContact OG-O 2.83Å
682	A	98.3	Very high	77.8	Confident	2 Å²	2	67 Å²	67	2%	0.017	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	143.6	174.4	0	0	0	0	0	111.3	V404 I407 A698 A699	V404-A682 HydrophobicContact CG1-CB 3.74Å; I407-A682 HydrophobicContact CD1-CB 3.96Å; I407-A682 HydrophobicContact CG1-CB 3.88Å; A682-A698 CarbonylContact O-C 3.45Å; A682-A698 WeakPolarHBondContact O-CA 3.29Å; A682-A699 PolarHBondContact N-O 2.8Å; A682-A699 PolarHBondContact O-N 3.38Å
683	V	98.2	Very high	79.2	Confident	9 Å²	9	60.2 Å²	60.2	6%	0.055	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	140.7	178.4	-53.8	0	0	0	0	109.5	A629 L644 V680 I697 A698	A629-V683 HydrophobicContact CB-CG2 3.93Å; L644-V683 HydrophobicContact CD1-CB 4.29Å; L644-V683 HydrophobicContact CD1-CG1 3.46Å; L644-V683 VanDerWaalsContact CD1-CG1 3.46Å; V680-V683 HydrophobicContact CG1-CG1 3.81Å; V683-I697 CarbonylContact C-O 3.53Å; V683-I697 WeakPolarHBondContact CA-O 3.22Å; V683-A698 HydrophobicContact CG1-CB 4.04Å
684	C	97.8	Very high	81.3	Confident	7 Å²	7	55.9 Å²	55.9	5%	0.047	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	144.2	176.2	-174.6	0	0	0	0	110.7	I407 E408 L696 I697	I407-C684 HydrophobicContact CB-CB 4.18Å; I407-C684 HydrophobicContact CG2-CB 4.1Å; I407-C684 VanDerWaalsContact O-CB 3.3Å; I407-C684 WeakPolarHBondContact O-CB 3.44Å; E408-C684 PolarHBondContact OE2-SG 3.42Å; C684-L696 CarbonylContact O-C 3.58Å; C684-L696 VanDerWaalsContact O-CA 3.28Å; C684-L696 WeakPolarHBondContact O-CA 3.28Å; C684-L696 VanDerWaalsContact O-CB 3.29Å; C684-L696 WeakPolarHBondContact O-CB 3.05Å; C684-I697 PolarHBondContact N-O 2.85Å; C684-I697 PolarHBondContact O-N 3.46Å
685	W	96.5	Very high	83.6	Confident	10 Å²	10	49.3 Å²	49.3	4%	0.038	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	142.4	174.1	-70.5	95.9	0	0	0	110.6	A629 S630 N631 Y634 A636 L646 A687 L696 L710	A629-W685 PolarHBondContact O-NE1 3.34Å; S630-W685 VanDerWaalsContact C-CD1 3.43Å; N631-W685 HydrophobicContact CB-CB 3.85Å; N631-W685 HydrophobicContact CB-CD2 3.58Å; N631-W685 HydrophobicContact CB-CE3 3.99Å; N631-W685 HydrophobicContact CB-CG 3.53Å; Y634-W685 HydrophobicContact CG-CH2 4.47Å; A636-W685 HydrophobicContact CB-CZ2 4.13Å; L646-W685 HydrophobicContact CD1-CH2 3.7Å; L646-W685 HydrophobicContact CD1-CZ2 3.54Å; W685-A687 PolarHBondContact O-N 2.8Å; W685-L696 HydrophobicContact CD2-CB 4.1Å; W685-L696 HydrophobicContact CD2-CD2 4.31Å; W685-L696 HydrophobicContact CE3-CB 3.94Å; W685-L696 HydrophobicContact CE3-CD2 4.13Å; W685-L696 HydrophobicContact CG-CB 4.45Å; W685-L696 HydrophobicContact CH2-CD2 4.02Å; W685-L696 HydrophobicContact CZ2-CD2 4.16Å; W685-L696 HydrophobicContact CZ3-CD2 3.99Å; W685-L710 HydrophobicContact CH2-CD1 3.6Å; W685-L710 HydrophobicContact CZ3-CD1 3.76Å
686	R	94.8	Very high	85.8	Confident	34 Å²	34	44.3 Å²	44.3	13%	0.128	26%	0.257	C	S	.	.			trans	-78.1	75.7	167.7	-168.9	177.5	-176.1	-132.7	3.6	109.2	F409 C413 Y430 L688 S693 V695	F409-R686 HydrophobicContact CD1-CG 4.11Å; F409-R686 HydrophobicContact CD2-CB 4.2Å; F409-R686 HydrophobicContact CD2-CG 4.45Å; F409-R686 HydrophobicContact CE1-CB 4.13Å; F409-R686 HydrophobicContact CE1-CG 3.66Å; F409-R686 HydrophobicContact CE2-CB 3.59Å; F409-R686 HydrophobicContact CE2-CG 4.04Å; F409-R686 HydrophobicContact CG-CG 4.48Å; F409-R686 HydrophobicContact CZ-CB 3.54Å; F409-R686 HydrophobicContact CZ-CG 3.62Å; C413-R686 HydrophobicContact CB-CG 3.72Å; C413-R686 VanDerWaalsContact O-CZ 3.28Å; C413-R686 PolarHBondContact O-NE 3.44Å; C413-R686 PolarHBondContact O-NH2 2.95Å; Y430-R686 VanDerWaalsContact CE1-CZ 3.41Å; Y430-R686 VanDerWaalsContact CE1-NH1 3.3Å; R686-L688 HydrophobicContact CG-CD2 4.42Å; R686-L688 PolarHBondContact O-N 3.46Å; R686-S693 WeakPolarHBondContact O-CB 3.38Å; R686-S693 PolarHBondContact O-OG 3.48Å; R686-V695 HydrophobicContact CB-CB 4.46Å; R686-V695 PolarHBondContact N-O 2.86Å
687	A	87	Confident	87.7	Confident	52 Å²	52	41.1 Å²	41.1	43%	0.43	24%	0.237	S	C	.	.			trans	-76	81.2	-172.4	0	0	0	0	0	112	W685	W685-A687 PolarHBondContact O-N 2.8Å
688	L	83.1	Confident	88.5	Confident	57 Å²	57	35 Å²	35	30%	0.298	21%	0.205	S	C	.	.			trans	-58.1	143.6	177	-64.5	176.1	0	0	0	111.8	C413 R686 D690 G691	C413-L688 HydrophobicContact CB-CD2 4.01Å; R686-L688 HydrophobicContact CG-CD2 4.42Å; R686-L688 PolarHBondContact O-N 3.46Å; L688-D690 PolarHBondContact O-N 3.15Å; L688-D690 VanDerWaalsContact O-N 3.14Å; L688-G691 PolarHBondContact O-N 3.23Å
689	P	72	Confident	88.8	Confident	108 Å²	108	34 Å²	34	70%	0.701	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.2	-179.5	-28.5	36.1	0	0	0	115	G691	P689-G691 PolarHBondContact O-N 2.84Å
690	D	68.2	Low	88.8	Confident	158 Å²	158	33 Å²	33	85%	0.845	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	5.2	178.3	-59.8	-39.7	0	0	0	113.7	L688 E692	L688-D690 PolarHBondContact O-N 3.15Å; L688-D690 VanDerWaalsContact O-N 3.14Å; D690-E692 PolarHBondContact O-N 2.97Å
691	G	58.4	Low	88.6	Confident	48 Å²	48	33.8 Å²	33.8	50%	0.495	20%	0.201	S	C	.	.	S	Bend	trans	80.3	-28.9	166.8	0	0	0	0	0	116.4	L688 P689 S693	L688-G691 PolarHBondContact O-N 3.23Å; P689-G691 PolarHBondContact O-N 2.84Å; G691-S693 PolarHBondContact O-N 3.37Å
692	E	64.1	Low	88.3	Confident	128 Å²	128	36 Å²	36	60%	0.598	21%	0.211	S	C	*	.			trans	-89.5	97.8	176.4	-70.8	-105	138.7	0	0	110.9	R381 D690	R381-E692 IonicContact CZ-OE1 3.35Å; R381-E692 IonicContact CZ-OE2 3.6Å; R381-E692 VanDerWaalsContact NH1-CD 3.29Å; R381-E692 IonicContact NH1-OE1 3.92Å; R381-E692 PolarHBondContact NH1-OE1 2.89Å; R381-E692 IonicContact NH1-OE2 3.37Å; R381-E692 PolarHBondContact NH1-OE2 2.99Å; R381-E692 VanDerWaalsContact NH1-OE2 3.09Å; R381-E692 IonicContact NH2-OE1 2.71Å; R381-E692 IonicContact NH2-OE2 3.48Å; R381-E692 PolarHBondContact NH2-OE2 3.04Å; D690-E692 PolarHBondContact O-N 2.97Å
693	S	79.4	Confident	88	Confident	9 Å²	9	36 Å²	36	6%	0.063	21%	0.211	C	C	.	.			trans	-129.9	126.5	167.3	179.7	0	0	0	0	111.5	R686 G691 V695	R686-S693 WeakPolarHBondContact O-CB 3.38Å; R686-S693 PolarHBondContact O-OG 3.48Å; G691-S693 PolarHBondContact O-N 3.37Å; S693-V695 PolarHBondContact OG-N 2.71Å
694	N	90.9	Very high	87.8	Confident	52 Å²	52	36.6 Å²	36.6	28%	0.278	22%	0.215	S	C	.	.			trans	-93.1	2.1	176.4	-58.5	0.9	0	0	0	111.9	R381 Y382 L710	R381-N694 PolarHBondContact NH2-OD1 3.39Å; Y382-N694 HydrophobicContact CE1-CB 4.18Å; Y382-N694 PolarHBondContact OH-OD1 3.14Å; N694-L710 HydrophobicContact CB-CB 4.38Å; N694-L710 WeakPolarHBondContact O-CB 3.31Å; N694-L710 WeakPolarHBondContact O-CG 3.49Å; N694-L710 PolarHBondContact O-N 3.41Å
695	V	95	Very high	87.6	Confident	15 Å²	15	36.2 Å²	36.2	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.8	-169.8	-177.6	0	0	0	0	112.5	L388 Y430 R686 S693 V707 L708 E709	L388-V695 HydrophobicContact CD1-CG2 4.37Å; Y430-V695 HydrophobicContact CE2-CG1 4.27Å; R686-V695 HydrophobicContact CB-CB 4.46Å; R686-V695 PolarHBondContact N-O 2.86Å; S693-V695 PolarHBondContact OG-N 2.71Å; V695-V707 HydrophobicContact CG1-CG1 3.75Å; V695-L708 WeakPolarHBondContact CA-O 3.35Å; V695-E709 HydrophobicContact CG2-CB 4.36Å
696	L	96.7	Very high	87.6	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	159.1	172.3	61.8	85.5	0	0	0	110.8	A636 L644 C684 W685 A698 L708	A636-L696 HydrophobicContact CB-CD2 4.3Å; L644-L696 HydrophobicContact CD2-CD1 3.54Å; L644-L696 HydrophobicContact CD2-CD2 4.31Å; C684-L696 CarbonylContact O-C 3.58Å; C684-L696 VanDerWaalsContact O-CA 3.28Å; C684-L696 WeakPolarHBondContact O-CA 3.28Å; C684-L696 VanDerWaalsContact O-CB 3.29Å; C684-L696 WeakPolarHBondContact O-CB 3.05Å; W685-L696 HydrophobicContact CD2-CB 4.1Å; W685-L696 HydrophobicContact CD2-CD2 4.31Å; W685-L696 HydrophobicContact CE3-CB 3.94Å; W685-L696 HydrophobicContact CE3-CD2 4.13Å; W685-L696 HydrophobicContact CG-CB 4.45Å; W685-L696 HydrophobicContact CH2-CD2 4.02Å; W685-L696 HydrophobicContact CZ2-CD2 4.16Å; W685-L696 HydrophobicContact CZ3-CD2 3.99Å; L696-A698 HydrophobicContact CD1-CB 4.3Å; L696-L708 HydrophobicContact CD1-CB 3.91Å; L696-L708 HydrophobicContact CD1-CD1 3.96Å; L696-L708 HydrophobicContact CD1-CG 4.38Å; L696-L708 HydrophobicContact CG-CB 4.38Å; L696-L708 PolarHBondContact N-O 3.04Å; L696-L708 PolarHBondContact O-N 2.88Å
697	I	98.1	Very high	87.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.6	169.8	-52.3	-174.8	0	0	0	108.1	I407 F409 F416 V683 C684 I705 K706 V707	I407-I697 HydrophobicContact CD1-CG2 4Å; I407-I697 HydrophobicContact CG2-CB 4.34Å; I407-I697 HydrophobicContact CG2-CG2 4.34Å; F409-I697 HydrophobicContact CE1-CD1 4.31Å; F409-I697 HydrophobicContact CE2-CD1 3.82Å; F409-I697 HydrophobicContact CE2-CG1 3.93Å; F409-I697 HydrophobicContact CZ-CD1 3.45Å; F409-I697 VanDerWaalsContact CZ-CD1 3.45Å; F409-I697 HydrophobicContact CZ-CG1 3.86Å; F416-I697 HydrophobicContact CB-CD1 4.18Å; F416-I697 HydrophobicContact CD1-CD1 3.52Å; F416-I697 HydrophobicContact CD2-CD1 3.85Å; F416-I697 HydrophobicContact CE1-CD1 3.74Å; F416-I697 HydrophobicContact CE2-CD1 4.07Å; F416-I697 HydrophobicContact CG-CD1 3.58Å; F416-I697 HydrophobicContact CZ-CD1 4.01Å; V683-I697 CarbonylContact C-O 3.53Å; V683-I697 WeakPolarHBondContact CA-O 3.22Å; C684-I697 PolarHBondContact N-O 2.85Å; C684-I697 PolarHBondContact O-N 3.46Å; I697-I705 HydrophobicContact CG2-CG2 3.53Å; I697-K706 WeakPolarHBondContact CA-O 3.21Å; I697-V707 HydrophobicContact CD1-CG2 4.22Å; I697-V707 HydrophobicContact CG1-CG1 4.44Å; I697-V707 HydrophobicContact CG1-CG2 4.16Å
698	A	98.3	Very high	88.1	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.7	174.3	0	0	0	0	0	110.6	L644 F660 A682 V683 L696 I705 K706 L708	L644-A698 HydrophobicContact CD1-CB 4.21Å; L644-A698 HydrophobicContact CD2-CB 4.26Å; F660-A698 HydrophobicContact CE2-CB 4.2Å; F660-A698 HydrophobicContact CZ-CB 3.83Å; A682-A698 CarbonylContact O-C 3.45Å; A682-A698 WeakPolarHBondContact O-CA 3.29Å; V683-A698 HydrophobicContact CG1-CB 4.04Å; L696-A698 HydrophobicContact CD1-CB 4.3Å; A698-I705 CarbonylContact O-C 3.5Å; A698-I705 WeakPolarHBondContact O-CA 3.26Å; A698-K706 PolarHBondContact N-O 2.88Å; A698-K706 PolarHBondContact O-N 3.27Å; A698-L708 HydrophobicContact CB-CD1 4.34Å
699	A	97.4	Very high	88.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	156.7	174.5	0	0	0	0	0	112.4	V404 I407 S681 A682 T704 I705	V404-A699 HydrophobicContact CB-CB 3.85Å; V404-A699 HydrophobicContact CG1-CB 4.02Å; V404-A699 HydrophobicContact CG2-CB 3.95Å; I407-A699 HydrophobicContact CD1-CB 3.79Å; S681-A699 PolarHBondContact N-O 2.95Å; S681-A699 PolarHBondContact OG-O 3.26Å; A682-A699 PolarHBondContact N-O 2.8Å; A682-A699 PolarHBondContact O-N 3.38Å; A699-T704 CarbonylContact C-O 3.5Å; A699-T704 WeakPolarHBondContact CA-O 3.46Å; A699-I705 HydrophobicContact CB-CB 4.16Å; A699-I705 HydrophobicContact CB-CG1 3.69Å; A699-I705 HydrophobicContact CB-CG2 4.38Å
700	N	95.7	Very high	89.6	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	178.1	-176.7	80.2	-1.7	0	0	0	114.2	N642 F660 F679 V680 S681 Q702 G703 T704	N642-N700 WeakPolarHBondContact OD1-CB 3.34Å; N642-N700 PolarHBondContact OD1-ND2 3.39Å; F660-N700 HydrophobicContact CD1-CB 4.26Å; F660-N700 HydrophobicContact CE1-CB 4.49Å; F679-N700 CarbonylContact O-C 3.59Å; F679-N700 WeakPolarHBondContact O-CA 3.47Å; F679-N700 WeakPolarHBondContact O-CB 3.48Å; V680-N700 HydrophobicContact CG2-CB 4.44Å; S681-N700 VanDerWaalsContact OG-C 3.31Å; S681-N700 PolarHBondContact OG-O 2.83Å; N700-Q702 PolarHBondContact O-N 2.8Å; N700-Q702 WeakPolarHBondContact OD1-CA 3.3Å; N700-Q702 WeakPolarHBondContact OD1-CB 3.44Å; N700-Q702 PolarHBondContact OD1-N 3.2Å; N700-G703 WeakPolarHBondContact O-CA 3.23Å; N700-G703 PolarHBondContact O-N 3.47Å; N700-G703 PolarHBondContact OD1-N 3.07Å; N700-T704 PolarHBondContact N-O 2.79Å; N700-T704 WeakPolarHBondContact OD1-CB 3.38Å; N700-T704 PolarHBondContact OD1-N 3.11Å; N700-T704 PolarHBondContact OD1-O 3.43Å
701	S	93.6	Very high	90.4	Very high	17 Å²	17	23.6 Å²	23.6	12%	0.119	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.5	180	59.5	0	0	0	0	114.9	I403 E678 F679 G703	I403-S701 WeakPolarHBondContact CG1-O 3.42Å; E678-S701 WeakPolarHBondContact CA-OG 3.36Å; F679-S701 PolarHBondContact N-OG 3.17Å; F679-S701 VanDerWaalsContact N-OG 3.09Å; F679-S701 PolarHBondContact O-N 3.1Å; F679-S701 PolarHBondContact O-OG 2.88Å; S701-G703 VanDerWaalsContact C-N 3.26Å
702	Q	90.9	Very high	92	Very high	48 Å²	48	22.4 Å²	22.4	22%	0.224	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.1	169.7	-59.4	-170	-34.2	0	0	112.2	S402 E678 N700 T704	S402-Q702 WeakPolarHBondContact CB-O 3.37Å; S402-Q702 PolarHBondContact OG-O 3.07Å; E678-Q702 VanDerWaalsContact CD-NE2 3.33Å; E678-Q702 HydrophobicContact CG-CG 4.24Å; E678-Q702 PolarHBondContact OE1-NE2 3.49Å; N700-Q702 PolarHBondContact O-N 2.8Å; N700-Q702 WeakPolarHBondContact OD1-CA 3.3Å; N700-Q702 WeakPolarHBondContact OD1-CB 3.44Å; N700-Q702 PolarHBondContact OD1-N 3.2Å; Q702-T704 VanDerWaalsContact C-N 3.32Å
703	G	91.9	Very high	93.5	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.01	9%	0.093	C	C	.	.			trans	82.3	8.9	-171.4	0	0	0	0	0	113.9	Y393 S402 N700 S701 I705	Y393-G703 WeakPolarHBondContact CB-O 3.3Å; Y393-G703 PolarHBondContact N-O 2.89Å; S402-G703 WeakPolarHBondContact O-CA 3.22Å; S402-G703 PolarHBondContact O-N 3.09Å; N700-G703 WeakPolarHBondContact O-CA 3.23Å; N700-G703 PolarHBondContact O-N 3.47Å; N700-G703 PolarHBondContact OD1-N 3.07Å; S701-G703 VanDerWaalsContact C-N 3.26Å; G703-I705 PolarHBondContact O-N 2.94Å
704	T	93.1	Very high	94.3	Very high	22 Å²	22	17.3 Å²	17.3	14%	0.135	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.3	171.2	-55.5	0	0	0	0	108.6	T390 F660 A699 N700 Q702	T390-T704 HydrophobicContact CG2-CG2 4.08Å; F660-T704 HydrophobicContact CD1-CG2 4.21Å; A699-T704 CarbonylContact C-O 3.5Å; A699-T704 WeakPolarHBondContact CA-O 3.46Å; N700-T704 PolarHBondContact N-O 2.79Å; N700-T704 WeakPolarHBondContact OD1-CB 3.38Å; N700-T704 PolarHBondContact OD1-N 3.11Å; N700-T704 PolarHBondContact OD1-O 3.43Å; Q702-T704 VanDerWaalsContact C-N 3.32Å
705	I	95.2	Very high	94.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.2	177.9	-54.4	142	0	0	0	107.6	T390 L391 V404 I418 I697 A698 A699 G703	T390-I705 CarbonylContact C-O 3.53Å; T390-I705 VanDerWaalsContact CA-O 3.32Å; T390-I705 WeakPolarHBondContact CA-O 3.42Å; L391-I705 HydrophobicContact CB-CB 4.12Å; L391-I705 HydrophobicContact CB-CD1 3.96Å; L391-I705 HydrophobicContact CD1-CB 4.14Å; L391-I705 HydrophobicContact CD1-CG2 3.85Å; L391-I705 PolarHBondContact N-O 3.14Å; L391-I705 PolarHBondContact O-N 2.71Å; V404-I705 HydrophobicContact CG2-CG1 4.38Å; I418-I705 HydrophobicContact CD1-CD1 3.48Å; I418-I705 VanDerWaalsContact CD1-CD1 3.48Å; I418-I705 HydrophobicContact CD1-CG1 3.91Å; I418-I705 HydrophobicContact CD1-CG2 3.92Å; I418-I705 HydrophobicContact CG2-CD1 4.46Å; I697-I705 HydrophobicContact CG2-CG2 3.53Å; A698-I705 CarbonylContact O-C 3.5Å; A698-I705 WeakPolarHBondContact O-CA 3.26Å; A699-I705 HydrophobicContact CB-CB 4.16Å; A699-I705 HydrophobicContact CB-CG1 3.69Å; A699-I705 HydrophobicContact CB-CG2 4.38Å; G703-I705 PolarHBondContact O-N 2.94Å
706	K	95.5	Very high	94.4	Very high	14 Å²	14	15.3 Å²	15.3	6%	0.061	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.2	171.1	-69	-178.5	-176.2	-84.1	0	111.1	A389 T390 F658 F660 D661 I697 A698 L708	A389-K706 WeakPolarHBondContact O-CA 3.43Å; T390-K706 HydrophobicContact CG2-CG 4.06Å; T390-K706 PolarHBondContact OG1-NZ 2.96Å; T390-K706 VanDerWaalsContact OG1-NZ 3.16Å; F658-K706 HydrophobicContact CE1-CD 3.71Å; F658-K706 HydrophobicContact CZ-CD 3.63Å; F660-K706 HydrophobicContact CD1-CD 4.27Å; F660-K706 HydrophobicContact CE1-CB 4.27Å; F660-K706 HydrophobicContact CE1-CD 4.17Å; F660-K706 HydrophobicContact CE1-CG 4.09Å; F660-K706 HydrophobicContact CZ-CB 4.47Å; D661-K706 WeakPolarHBondContact OD2-CE 3.3Å; D661-K706 IonicContact OD2-NZ 3.88Å; D661-K706 PolarHBondContact OD2-NZ 2.89Å; I697-K706 WeakPolarHBondContact CA-O 3.21Å; A698-K706 PolarHBondContact N-O 2.88Å; A698-K706 PolarHBondContact O-N 3.27Å; K706-L708 HydrophobicContact CB-CD2 3.92Å; K706-L708 HydrophobicContact CB-CG 4.17Å
707	V	96.1	Very high	94.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	125.9	165.6	-174.1	0	0	0	0	107.2	P387 L388 A389 L391 Y430 V433 I434 V695 I697	P387-V707 WeakPolarHBondContact CA-O 3.39Å; L388-V707 HydrophobicContact CB-CB 4.27Å; L388-V707 HydrophobicContact CB-CG1 4.17Å; L388-V707 HydrophobicContact CD1-CG1 4.18Å; L388-V707 PolarHBondContact N-O 3.42Å; A389-V707 HydrophobicContact CB-CB 4.26Å; A389-V707 HydrophobicContact CB-CG2 4.05Å; A389-V707 PolarHBondContact O-N 3.16Å; L391-V707 HydrophobicContact CD1-CG2 4.28Å; Y430-V707 HydrophobicContact CE2-CG1 3.95Å; V433-V707 HydrophobicContact CG1-CG2 4.08Å; I434-V707 HydrophobicContact CG2-CG1 4.11Å; V695-V707 HydrophobicContact CG1-CG1 3.75Å; I697-V707 HydrophobicContact CD1-CG2 4.22Å; I697-V707 HydrophobicContact CG1-CG1 4.44Å; I697-V707 HydrophobicContact CG1-CG2 4.16Å
708	L	96.1	Very high	94	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.5	-169.8	-59.7	175.2	0	0	0	110.8	R386 P387 L644 F658 V695 L696 A698 K706	R386-L708 WeakPolarHBondContact O-CA 3.46Å; P387-L708 HydrophobicContact CB-CD2 4.22Å; P387-L708 HydrophobicContact CG-CD2 4.12Å; L644-L708 HydrophobicContact CD2-CD1 3.69Å; F658-L708 HydrophobicContact CB-CD1 4.38Å; F658-L708 HydrophobicContact CD1-CD1 3.74Å; F658-L708 HydrophobicContact CD1-CD2 4.23Å; F658-L708 HydrophobicContact CD2-CD2 4.09Å; F658-L708 HydrophobicContact CE1-CD1 4.21Å; F658-L708 HydrophobicContact CE1-CD2 4.04Å; F658-L708 HydrophobicContact CE2-CD2 3.89Å; F658-L708 HydrophobicContact CG-CD1 3.94Å; F658-L708 HydrophobicContact CG-CD2 4.27Å; F658-L708 HydrophobicContact CZ-CD2 3.88Å; V695-L708 WeakPolarHBondContact CA-O 3.35Å; L696-L708 HydrophobicContact CD1-CB 3.91Å; L696-L708 HydrophobicContact CD1-CD1 3.96Å; L696-L708 HydrophobicContact CD1-CG 4.38Å; L696-L708 HydrophobicContact CG-CB 4.38Å; L696-L708 PolarHBondContact N-O 3.04Å; L696-L708 PolarHBondContact O-N 2.88Å; A698-L708 HydrophobicContact CB-CD1 4.34Å; K706-L708 HydrophobicContact CB-CD2 3.92Å; K706-L708 HydrophobicContact CB-CG 4.17Å
709	E	94.9	Very high	93.7	Very high	54 Å²	54	18.6 Å²	18.6	25%	0.252	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	138.9	173.2	175.9	-178.8	-124.1	0	0	110.8	V385 R386 L388 V695 V711	V385-E709 CarbonylContact C-O 3.48Å; V385-E709 WeakPolarHBondContact CA-O 3.44Å; R386-E709 HydrophobicContact CB-CB 4.36Å; R386-E709 WeakPolarHBondContact CD-OE2 3.19Å; R386-E709 PolarHBondContact N-O 2.96Å; R386-E709 IonicContact NH1-OE2 3.57Å; R386-E709 PolarHBondContact O-N 2.98Å; L388-E709 HydrophobicContact CD1-CB 4.13Å; L388-E709 HydrophobicContact CD2-CB 3.99Å; L388-E709 HydrophobicContact CG-CB 4.03Å; V695-E709 HydrophobicContact CG2-CB 4.36Å; E709-V711 HydrophobicContact CG-CG2 3.98Å
710	L	92.5	Very high	93.4	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.3	172.1	-55.9	-175.7	0	0	0	111	Y382 V385 L646 L656 W685 N694	Y382-L710 HydrophobicContact CD1-CB 3.47Å; Y382-L710 VanDerWaalsContact CD1-CB 3.47Å; Y382-L710 HydrophobicContact CD2-CB 4.03Å; Y382-L710 HydrophobicContact CD2-CD1 3.67Å; Y382-L710 HydrophobicContact CD2-CG 4.5Å; Y382-L710 HydrophobicContact CE1-CB 3.77Å; Y382-L710 HydrophobicContact CE2-CB 4.27Å; Y382-L710 HydrophobicContact CE2-CD1 3.72Å; Y382-L710 HydrophobicContact CG-CB 3.61Å; Y382-L710 HydrophobicContact CG-CD1 4.13Å; Y382-L710 HydrophobicContact CG-CG 4.49Å; V385-L710 HydrophobicContact CG1-CD2 3.47Å; V385-L710 VanDerWaalsContact CG1-CD2 3.47Å; L646-L710 HydrophobicContact CD1-CD1 4.44Å; L646-L710 HydrophobicContact CD2-CD1 3.59Å; L646-L710 HydrophobicContact CD2-CD2 4.15Å; L656-L710 HydrophobicContact CD1-CD2 4.28Å; L656-L710 HydrophobicContact CD2-CD2 4.33Å; W685-L710 HydrophobicContact CH2-CD1 3.6Å; W685-L710 HydrophobicContact CZ3-CD1 3.76Å; N694-L710 HydrophobicContact CB-CB 4.38Å; N694-L710 WeakPolarHBondContact O-CB 3.31Å; N694-L710 WeakPolarHBondContact O-CG 3.49Å; N694-L710 PolarHBondContact O-N 3.41Å
711	V	84.9	Confident	93.2	Very high	84 Å²	84	22 Å²	22	51%	0.509	12%	0.12	S	C	.	.			trans	-129.4	0	-171.7	-171	0	0	0	0	110.4	Y382 N383 S384 R386 E709	Y382-V711 CarbonylContact C-O 3.59Å; N383-V711 CarbonylContact C-O 2.88Å; N383-V711 WeakPolarHBondContact CA-O 3.3Å; N383-V711 PolarHBondContact N-O 2.72Å; N383-V711 PolarHBondContact ND2-O 2.94Å; N383-V711 PolarHBondContact ND2-OXT 3.01Å; S384-V711 PolarHBondContact N-O 3.23Å; S384-V711 PolarHBondContact O-N 3.34Å; S384-V711 VanDerWaalsContact O-N 3.17Å; R386-V711 HydrophobicContact CB-CG2 4.09Å; E709-V711 HydrophobicContact CG-CG2 3.98Å

Retrieved 711 of 711 residues in 1048.6 ms (Link to these results)

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