A0A087XSC2_POEFO Loading...

Striatin 4

AlphaFold DB , UniProt , Accession A0A087XSC2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 772 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	37	Very low	215 Å²	215	138 Å²	138	100%	1.059	85%	0.85	S	S	*	*				0	80.2	0	-56.4	-176.9	-171.2	0	0	107.1
2	E	33.2	Very low	38.2	Very low	186 Å²	186	135.3 Å²	135.3	87%	0.869	84%	0.836	S	S	*	*			cis	62.1	135.7	37.5	-58.8	160	113.4	0	0	112.2
3	A	36.7	Very low	37.9	Very low	89 Å²	89	136.8 Å²	136.8	74%	0.736	84%	0.836	S	S	*	*			cis	-163.7	-179.8	-11.6	0	0	0	0	0	108.7
4	D	39.4	Very low	37.8	Very low	145 Å²	145	134.5 Å²	134.5	78%	0.775	83%	0.828	S	S	*	*			cis	-151.4	-178.2	3.5	-154.5	-5.3	0	0	0	111.7
5	R	39.2	Very low	37.5	Very low	228 Å²	228	131.1 Å²	131.1	86%	0.86	83%	0.83	S	S	*	*			trans	-68	151.8	173	-59	153.9	158.2	-176.6	-6.2	114.6
6	S	36.5	Very low	37.2	Very low	126 Å²	126	128 Å²	128	88%	0.881	83%	0.831	S	S	*	*			trans	-167.5	146.6	142.8	56.1	0	0	0	0	111.2
7	G	32.9	Very low	36.9	Very low	78 Å²	78	125.7 Å²	125.7	80%	0.804	84%	0.836	S	S	*	*			cis	152.6	100.4	-11.6	0	0	0	0	0	115
8	G	31	Very low	36.6	Very low	88 Å²	88	123.3 Å²	123.3	91%	0.907	84%	0.836	S	S	*	*			trans	80.8	157	172.7	0	0	0	0	0	115
9	G	32.8	Very low	36.4	Very low	74 Å²	74	121.4 Å²	121.4	76%	0.763	84%	0.84	S	S	*	*			cis	-179.7	172	2.9	0	0	0	0	0	110.1
10	P	55.4	Low	36.2	Very low	127 Å²	127	119.3 Å²	119.3	83%	0.825	84%	0.839	S	S	*	*			trans	-113.5	170.8	-156.2	40.9	-34.7	0	0	0	116.2
11	N	32.3	Very low	36	Very low	162 Å²	162	117.2 Å²	117.2	87%	0.866	84%	0.836	S	S	*	*			trans	-157.7	150.9	143.7	-119.4	-17.4	0	0	0	113.1
12	P	51.8	Low	35.8	Very low	106 Å²	106	112.9 Å²	112.9	69%	0.688	83%	0.827	S	S	*	*			trans	-117.2	-160.8	-175.4	44.3	-34.1	0	0	0	114
13	N	34.9	Very low	35.8	Very low	155 Å²	155	107.4 Å²	107.4	83%	0.829	82%	0.82	S	S	*	*			trans	77	152.4	170.2	-95.5	-14.2	0	0	0	117
14	S	35.3	Very low	35.6	Very low	104 Å²	104	109.3 Å²	109.3	73%	0.727	82%	0.823	S	S	*	*			cis	-164.9	150.1	0	45.5	0	0	0	0	114.1
15	G	34.3	Very low	35.4	Very low	84 Å²	84	108.2 Å²	108.2	87%	0.866	83%	0.827	S	S	*	*			trans	89.6	156.7	149.3	0	0	0	0	0	118
16	G	32.2	Very low	35	Very low	81 Å²	81	101 Å²	101	84%	0.835	82%	0.823	S	S	*	*			cis	156.8	114.8	-11.7	0	0	0	0	0	115.9
17	G	32.9	Very low	34.8	Very low	89 Å²	89	100 Å²	100	92%	0.918	82%	0.823	S	S	*	*			trans	85.4	158	168.5	0	0	0	0	0	116.3
18	G	31.7	Very low	34.7	Very low	82 Å²	82	99.9 Å²	99.9	85%	0.845	82%	0.821	S	S	*	*			cis	160.4	125.4	-11.1	0	0	0	0	0	115.1
19	G	32.2	Very low	34.7	Very low	87 Å²	87	108 Å²	108	90%	0.897	82%	0.824	S	S	*	*			trans	81.8	160.6	170.7	0	0	0	0	0	116.3
20	G	31.3	Very low	34.9	Very low	80 Å²	80	111.3 Å²	111.3	83%	0.825	82%	0.824	S	S	*	*			cis	163.9	130	-9.5	0	0	0	0	0	114.7
21	G	31.8	Very low	34.6	Very low	75 Å²	75	110 Å²	110	77%	0.773	82%	0.816	S	S	*	*			trans	76.3	166.1	172.9	0	0	0	0	0	116.2
22	S	34.2	Very low	34.5	Very low	125 Å²	125	110 Å²	110	87%	0.874	82%	0.816	S	S	*	*			cis	152.8	124.7	-21.2	50.3	0	0	0	0	108.2
23	G	32.8	Very low	33.5	Very low	70 Å²	70	108.4 Å²	108.4	72%	0.722	82%	0.819	S	S	*	*			trans	166.2	86	172.8	0	0	0	0	0	121.1
24	T	33.4	Very low	34.1	Very low	129 Å²	129	106.7 Å²	106.7	79%	0.791	82%	0.816	S	S	*	*			trans	48.5	118.4	131.8	58.3	0	0	0	0	124.5
25	S	34.2	Very low	33.9	Very low	123 Å²	123	111.7 Å²	111.7	86%	0.86	83%	0.825	S	S	*	*				72	150	125.4	74.3	0	0	0	0	123.2
26	G	31.3	Very low	33.7	Very low	77 Å²	77	112.6 Å²	112.6	79%	0.794	83%	0.825	S	S	*	*			trans	167.5	31.3	162	0	0	0	0	0	124.3
27	A	32.6	Very low	33.5	Very low	105 Å²	105	112.2 Å²	112.2	87%	0.868	82%	0.821	S	S	*	*			trans	22	102.9	160.8	0	0	0	0	0	123.1
28	G	30.2	Very low	34.2	Very low	74 Å²	74	114.5 Å²	114.5	76%	0.763	82%	0.819	S	S	*	*				52.8	143.7	114.4	0	0	0	0	0	125.1
29	R	32	Very low	34.1	Very low	258 Å²	258	113.9 Å²	113.9	97%	0.974	81%	0.813	S	S	*	*			trans	-171.5	151.1	138.2	-106.6	167.5	-173.8	-167.7	1.6	113
30	N	37	Very low	34	Very low	144 Å²	144	118 Å²	118	77%	0.77	81%	0.809	S	S	*	*			trans	-131.4	149	168.9	-166.2	-3.2	0	0	0	106.4
31	P	47.3	Very low	33.8	Very low	99 Å²	99	119.6 Å²	119.6	64%	0.643	80%	0.803	S	S	*	*				-160.5	166	105.4	41.5	-22.4	0	0	0	118.7
32	N	31.8	Very low	33.6	Very low	162 Å²	162	121.6 Å²	121.6	87%	0.866	80%	0.8	S	S	*	*			trans	62	135.2	144.1	-64.5	-10.4	0	0	0	123.3
33	G	29.7	Very low	33.4	Very low	74 Å²	74	121.2 Å²	121.2	76%	0.763	80%	0.798	S	S	*	*			trans	146.2	126.1	145.1	0	0	0	0	0	116.7
34	P	47.2	Very low	33.1	Very low	119 Å²	119	121.7 Å²	121.7	77%	0.773	80%	0.803	S	S	*	*			trans	-127.4	160.4	-171	42	-29.7	0	0	0	118.5
35	K	32.8	Very low	32.9	Very low	208 Å²	208	121 Å²	121	90%	0.904	81%	0.81	S	S	*	*			trans	41.3	127.3	146.1	-68.6	-175.9	175.8	-177	0	122.1
36	A	29.9	Very low	32.5	Very low	104 Å²	104	118.4 Å²	118.4	86%	0.86	80%	0.802	S	S	*	*			trans	-165.3	159.3	130.6	0	0	0	0	0	112.7
37	G	26.9	Very low	32.4	Very low	73 Å²	73	122 Å²	122	75%	0.753	81%	0.808	S	S	*	*			trans	-106.9	-143	163.2	0	0	0	0	0	110.6
38	P	48.5	Very low	32.1	Very low	136 Å²	136	120.3 Å²	120.3	88%	0.883	80%	0.801	S	S	*	*			cis	-143.5	-173.8	1.7	44.4	-26.4	0	0	0	116.1
39	G	28.2	Very low	32.9	Very low	70 Å²	70	122.1 Å²	122.1	72%	0.722	80%	0.8	S	S	*	*			trans	92	166.7	150.7	0	0	0	0	0	118.3
40	Q	30.4	Very low	32.7	Very low	172 Å²	172	118.5 Å²	118.5	80%	0.804	80%	0.796	S	S	*	*			cis	-173.9	139.1	-24.7	-125.3	-170.4	8.2	0	0	109
41	T	27.6	Very low	32.4	Very low	115 Å²	115	115.7 Å²	115.7	71%	0.706	79%	0.793	S	S	*	*			trans	59.9	153.3	151.4	59.9	0	0	0	0	120.5
42	T	28.6	Very low	31.5	Very low	116 Å²	116	115.9 Å²	115.9	71%	0.712	80%	0.803	S	S	*	*			cis	-166.4	153.7	-16.1	24.3	0	0	0	0	109.6
43	S	28.9	Very low	31.3	Very low	118 Å²	118	112.5 Å²	112.5	83%	0.825	80%	0.798	S	S	*	*			trans	49.2	135.7	145.3	66.7	0	0	0	0	122.4
44	G	27.2	Very low	31.3	Very low	80 Å²	80	114.3 Å²	114.3	83%	0.825	81%	0.805	S	S	*	*			trans	174.3	83.6	160.1	0	0	0	0	0	115.5
45	A	28	Very low	30.2	Very low	114 Å²	114	111.9 Å²	111.9	94%	0.942	80%	0.802	S	S	*	*			trans	-63.1	158.2	-179.3	0	0	0	0	0	115.6
46	G	26.4	Very low	30	Very low	68 Å²	68	107.1 Å²	107.1	70%	0.701	80%	0.801	S	S	*	*			trans	159	116.4	152.2	0	0	0	0	0	117.8
47	V	28.6	Very low	30.1	Very low	152 Å²	152	110 Å²	110	92%	0.921	80%	0.8	S	S	*	*			trans	30.6	134.4	145	-70.3	0	0	0	0	122.3
48	G	26.7	Very low	31.1	Very low	70 Å²	70	112.6 Å²	112.6	72%	0.722	80%	0.804	S	S	*	*			trans	-82.9	-138.2	157.8	0	0	0	0	0	111.8
49	P	47	Very low	30.1	Very low	112 Å²	112	109.7 Å²	109.7	73%	0.727	80%	0.799	S	S	*	*			cis	-137	-168.6	-0.9	44.4	-27.5	0	0	0	114.1
50	M	28.6	Very low	30.1	Very low	183 Å²	183	111.3 Å²	111.3	90%	0.901	80%	0.799	S	S	*	*			trans	65.2	164.7	157	-72.2	-178.6	171.1	0	0	118.2
51	A	29.5	Very low	30	Very low	85 Å²	85	111.4 Å²	111.4	70%	0.702	80%	0.797	S	S	*	*			cis	-171.5	168.9	-33.1	0	0	0	0	0	109.3
52	A	28.7	Very low	30	Very low	102 Å²	102	113.3 Å²	113.3	84%	0.843	80%	0.802	S	S	*	*			trans	66.9	159.3	163.7	0	0	0	0	0	117.7
53	A	28.8	Very low	30.6	Very low	92 Å²	92	113.4 Å²	113.4	76%	0.76	81%	0.805	S	S	*	*			cis	-168.1	163.5	-28.3	0	0	0	0	0	110
54	A	28.9	Very low	30.6	Very low	111 Å²	111	119.2 Å²	119.2	92%	0.917	81%	0.809	S	S	*	*			trans	64.6	153.8	174.2	0	0	0	0	0	116.4
55	G	24.9	Very low	30.8	Very low	69 Å²	69	124 Å²	124	71%	0.711	81%	0.81	S	S	*	*			cis	170.3	-177.6	-7.6	0	0	0	0	0	112.9
56	A	27.7	Very low	31.3	Very low	107 Å²	107	122.6 Å²	122.6	88%	0.884	80%	0.798	S	S	*	*			trans	77.5	137.5	176.3	0	0	0	0	0	119.3
57	I	31.1	Very low	31.8	Very low	165 Å²	165	128.8 Å²	128.8	85%	0.846	81%	0.808	S	S	*	*			trans	-126.7	170	164.5	13.6	174.2	0	0	0	105.1
58	P	48.4	Very low	32.2	Very low	127 Å²	127	129.4 Å²	129.4	83%	0.825	81%	0.807	S	S	*	*			cis	-131.2	178.3	8	41.1	-24.4	0	0	0	115.4
59	G	27.3	Very low	32.6	Very low	76 Å²	76	129.1 Å²	129.1	78%	0.784	80%	0.803	S	S	*	*			trans	-168.5	146.4	165.6	0	0	0	0	0	109.5
60	S	28.6	Very low	32.7	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	81%	0.81	S	S	*	*			trans	-137.9	156.8	-163.5	57.6	0	0	0	0	115.7
61	F	27.8	Very low	33.7	Very low	175 Å²	175	127.9 Å²	127.9	77%	0.768	80%	0.803	S	S	*	*			trans	64	110.3	167	-60.4	-69.8	0	0	0	120
62	L	28.4	Very low	34.8	Very low	154 Å²	154	126.1 Å²	126.1	81%	0.806	79%	0.793	S	S	*	*				50.4	160.3	123.9	-58.5	174.7	0	0	0	121.2
63	P	40.9	Very low	36.4	Very low	118 Å²	118	128.5 Å²	128.5	77%	0.766	79%	0.789	S	S	*	*			cis	-127.3	-178.9	-48.6	37.6	-23.4	0	0	0	110.7
64	R	29.2	Very low	38.9	Very low	240 Å²	240	128.7 Å²	128.7	91%	0.906	78%	0.781	S	S	*	*			trans	-146	142.3	158	-172.6	165.6	173.3	157.8	-1.4	110.8
65	E	30.6	Very low	41.1	Very low	182 Å²	182	130 Å²	130	85%	0.85	77%	0.772	S	S	*	*			trans	-74.8	168.1	-164.6	-62.3	144.8	124	0	0	114.8
66	A	39.2	Very low	44	Very low	84 Å²	84	131.2 Å²	131.2	69%	0.694	77%	0.767	S	S	*	*			trans	-59.3	156.4	-178.2	0	0	0	0	0	114.6
67	Q	36	Very low	46.6	Very low	197 Å²	197	127.9 Å²	127.9	92%	0.921	74%	0.743	S	S	*	*			trans	-129.2	110.8	143.2	-77.2	-165.2	-58.8	0	0	108.1	G69	Q67-G69 PolarHBondContact O-N 3.18Å
68	D	37.2	Very low	49.3	Very low	166 Å²	166	123.1 Å²	123.1	89%	0.888	72%	0.718	S	S	*	*			trans	-61.6	127.1	162.9	-71.4	-63.2	0	0	0	109.4
69	G	36.3	Very low	51.2	Low	63 Å²	63	122.3 Å²	122.3	65%	0.649	71%	0.707	S	S	*	*			trans	-126.8	100.2	171.9	0	0	0	0	0	108.1	Q67 S71	Q67-G69 PolarHBondContact O-N 3.18Å; G69-S71 PolarHBondContact O-N 2.74Å
70	D	47.8	Very low	54	Low	161 Å²	161	124.9 Å²	124.9	86%	0.861	70%	0.698	S	S	*	*			trans	-49.1	98.3	177.7	172.2	17.9	0	0	0	111.1	G72	D70-G72 VanDerWaalsContact C-N 3.27Å; D70-G72 PolarHBondContact O-N 3.23Å; D70-G72 WeakPolarHBondContact OD1-CA 3.2Å; D70-G72 PolarHBondContact OD1-N 3.08Å
71	S	51.1	Low	56.8	Low	108 Å²	108	125.9 Å²	125.9	76%	0.755	69%	0.689	S	S	*	*			trans	-96.4	49.9	174.3	71.1	0	0	0	0	110.1	G69 M73	G69-S71 PolarHBondContact O-N 2.74Å; S71-M73 PolarHBondContact O-N 3.08Å; S71-M73 VanDerWaalsContact O-N 3.14Å
72	G	52.8	Low	59.9	Low	49 Å²	49	122.3 Å²	122.3	51%	0.505	68%	0.677	S	S	.	*			trans	-42.2	119.3	177.3	0	0	0	0	0	111.7	D70 T74	D70-G72 VanDerWaalsContact C-N 3.27Å; D70-G72 PolarHBondContact O-N 3.23Å; D70-G72 WeakPolarHBondContact OD1-CA 3.2Å; D70-G72 PolarHBondContact OD1-N 3.08Å; G72-T74 PolarHBondContact O-N 3.21Å
73	M	62.2	Low	62.8	Low	151 Å²	151	121.5 Å²	121.5	74%	0.744	67%	0.669	S	S	*	*			trans	-60.6	106.6	-168.8	-72.3	-174.2	-89.4	0	0	110.7	S71 L75 I78	S71-M73 PolarHBondContact O-N 3.08Å; S71-M73 VanDerWaalsContact O-N 3.14Å; M73-L75 PolarHBondContact O-N 3.21Å; M73-I78 HydrophobicContact CB-CD1 4.05Å; M73-I78 HydrophobicContact CB-CG1 3.67Å; M73-I78 WeakPolarHBondContact O-CD1 3.36Å
74	T	80.4	Confident	65.3	Low	97 Å²	97	122.5 Å²	122.5	60%	0.595	66%	0.659	S	S	*	*			trans	-57.9	142.2	178.6	68.8	0	0	0	0	110.1	G72 P76 G77 I78	G72-T74 PolarHBondContact O-N 3.21Å; T74-P76 VanDerWaalsContact C-N 3.28Å; T74-P76 VanDerWaalsContact O-N 3.12Å; T74-G77 WeakPolarHBondContact O-CA 3.4Å; T74-G77 PolarHBondContact O-N 3.07Å; T74-I78 PolarHBondContact O-N 3.5Å; T74-I78 VanDerWaalsContact O-N 3.11Å
75	L	75.3	Confident	68.3	Low	139 Å²	139	114 Å²	114	73%	0.728	63%	0.63	S	S	*	*	H	α-helix	trans	-50.7	-37.8	-176.7	-177.3	63.4	0	0	0	114.3	M73 G77 I78 L79	M73-L75 PolarHBondContact O-N 3.21Å; L75-G77 VanDerWaalsContact C-N 3.33Å; L75-G77 PolarHBondContact O-N 3Å; L75-I78 PolarHBondContact O-N 2.61Å; L75-L79 WeakPolarHBondContact O-CB 3.3Å; L75-L79 PolarHBondContact O-N 3.27Å
76	P	84.9	Confident	71.2	Confident	93 Å²	93	113 Å²	113	60%	0.604	62%	0.618	S	S	*	*	H	α-helix	trans	-63.8	-33.1	172	-23.5	35.7	0	0	0	114.3	T74 H80	T74-P76 VanDerWaalsContact C-N 3.28Å; T74-P76 VanDerWaalsContact O-N 3.12Å; P76-H80 WeakPolarHBondContact O-CB 3.48Å; P76-H80 PolarHBondContact O-N 2.94Å
77	G	83.6	Confident	73.8	Confident	37 Å²	37	110.8 Å²	110.8	38%	0.381	60%	0.604	S	S	.	*	H	α-helix	trans	-68.9	-44	174.7	0	0	0	0	0	112.3	T74 L75 L79 H80 F81	T74-G77 WeakPolarHBondContact O-CA 3.4Å; T74-G77 PolarHBondContact O-N 3.07Å; L75-G77 VanDerWaalsContact C-N 3.33Å; L75-G77 PolarHBondContact O-N 3Å; G77-L79 VanDerWaalsContact C-N 3.33Å; G77-L79 PolarHBondContact O-N 2.74Å; G77-H80 PolarHBondContact O-N 3.32Å; G77-F81 WeakPolarHBondContact O-CB 3.24Å; G77-F81 PolarHBondContact O-N 3.03Å
78	I	88.1	Confident	76.6	Confident	66 Å²	66	108 Å²	108	34%	0.338	59%	0.585	S	S	.	*	H	α-helix	trans	-59.6	-46.1	173.4	-58.7	177	0	0	0	110.2	M73 T74 L75 H80 F81 I82	M73-I78 HydrophobicContact CB-CD1 4.05Å; M73-I78 HydrophobicContact CB-CG1 3.67Å; M73-I78 WeakPolarHBondContact O-CD1 3.36Å; T74-I78 PolarHBondContact O-N 3.5Å; T74-I78 VanDerWaalsContact O-N 3.11Å; L75-I78 PolarHBondContact O-N 2.61Å; I78-H80 PolarHBondContact O-N 3.18Å; I78-F81 PolarHBondContact O-N 2.76Å; I78-I82 HydrophobicContact CG2-CD1 3.88Å; I78-I82 WeakPolarHBondContact O-CG1 3.36Å; I78-I82 PolarHBondContact O-N 2.91Å
79	L	87.4	Confident	79.3	Confident	110 Å²	110	105.8 Å²	105.8	58%	0.576	57%	0.567	S	S	*	*	H	α-helix	trans	-62.8	-41	178.1	-175.8	63.1	0	0	0	112.2	L75 G77 Q83	L75-L79 WeakPolarHBondContact O-CB 3.3Å; L75-L79 PolarHBondContact O-N 3.27Å; G77-L79 VanDerWaalsContact C-N 3.33Å; G77-L79 PolarHBondContact O-N 2.74Å; L79-Q83 VanDerWaalsContact O-CB 3.3Å; L79-Q83 WeakPolarHBondContact O-CB 3.29Å; L79-Q83 PolarHBondContact O-N 2.77Å
80	H	85.6	Confident	82	Confident	130 Å²	130	105 Å²	105	60%	0.602	55%	0.547	S	S	*	.	H	α-helix	trans	-65.6	-39.5	175.6	-175.1	-80	0	0	0	112.2	P76 G77 I78 Q83 Y84	P76-H80 WeakPolarHBondContact O-CB 3.48Å; P76-H80 PolarHBondContact O-N 2.94Å; G77-H80 PolarHBondContact O-N 3.32Å; I78-H80 PolarHBondContact O-N 3.18Å; H80-Q83 PolarHBondContact O-N 2.95Å; H80-Y84 WeakPolarHBondContact O-CB 3.4Å; H80-Y84 PolarHBondContact O-N 3.14Å
81	F	88.8	Confident	84.1	Confident	123 Å²	123	100.4 Å²	100.4	54%	0.539	53%	0.531	S	S	.	.	H	α-helix	trans	-62.7	-49.6	174.8	177	-106	0	0	0	111.6	G77 I78 Q83 Y84 E85	G77-F81 WeakPolarHBondContact O-CB 3.24Å; G77-F81 PolarHBondContact O-N 3.03Å; I78-F81 PolarHBondContact O-N 2.76Å; F81-Q83 VanDerWaalsContact C-N 3.29Å; F81-Q83 PolarHBondContact O-N 2.84Å; F81-Y84 WeakPolarHBondContact O-CB 3.4Å; F81-Y84 PolarHBondContact O-N 2.86Å; F81-Y84 VanDerWaalsContact O-N 3.13Å; F81-E85 HydrophobicContact CD2-CG 4.22Å; F81-E85 HydrophobicContact CE1-CG 4.11Å; F81-E85 HydrophobicContact CE2-CG 3.69Å; F81-E85 HydrophobicContact CZ-CG 3.63Å; F81-E85 PolarHBondContact O-N 3.18Å
82	I	92.3	Very high	86.2	Confident	100 Å²	100	99.6 Å²	99.6	51%	0.513	52%	0.515	S	S	.	.	H	α-helix	trans	-59.7	-40.2	176.2	-66.9	169.2	0	0	0	111.1	I78 W86	I78-I82 HydrophobicContact CG2-CD1 3.88Å; I78-I82 WeakPolarHBondContact O-CG1 3.36Å; I78-I82 PolarHBondContact O-N 2.91Å; I82-W86 WeakPolarHBondContact O-CB 3.49Å; I82-W86 PolarHBondContact O-N 2.59Å
83	Q	89.6	Confident	88	Confident	137 Å²	137	101.2 Å²	101.2	64%	0.64	51%	0.509	S	S	*	.	H	α-helix	trans	-69.2	-33.9	177.5	-172	172.4	1.5	0	0	112.8	L79 H80 F81 G87	L79-Q83 VanDerWaalsContact O-CB 3.3Å; L79-Q83 WeakPolarHBondContact O-CB 3.29Å; L79-Q83 PolarHBondContact O-N 2.77Å; H80-Q83 PolarHBondContact O-N 2.95Å; F81-Q83 VanDerWaalsContact C-N 3.29Å; F81-Q83 PolarHBondContact O-N 2.84Å; Q83-G87 PolarHBondContact O-N 2.85Å; Q83-G87 VanDerWaalsContact O-N 3.08Å
84	Y	92.7	Very high	89.6	Confident	139 Å²	139	101.2 Å²	101.2	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-68.7	-50.7	174.1	175.6	-95.8	0	0	0	111.6	H80 F81 W86 G87 R88	H80-Y84 WeakPolarHBondContact O-CB 3.4Å; H80-Y84 PolarHBondContact O-N 3.14Å; F81-Y84 WeakPolarHBondContact O-CB 3.4Å; F81-Y84 PolarHBondContact O-N 2.86Å; F81-Y84 VanDerWaalsContact O-N 3.13Å; Y84-W86 VanDerWaalsContact C-N 3.35Å; Y84-W86 PolarHBondContact O-N 3.37Å; Y84-G87 CarbonylContact O-C 3.58Å; Y84-G87 WeakPolarHBondContact O-CA 3.37Å; Y84-G87 PolarHBondContact O-N 2.94Å; Y84-R88 PolarHBondContact O-N 2.71Å
85	E	93.4	Very high	90.2	Very high	63 Å²	63	104.4 Å²	104.4	29%	0.294	50%	0.502	S	S	.	.	H	α-helix	trans	-65.8	-35.8	178.8	-70.4	-54.5	139.5	0	0	112.2	F81 G87 R88 F89	F81-E85 HydrophobicContact CD2-CG 4.22Å; F81-E85 HydrophobicContact CE1-CG 4.11Å; F81-E85 HydrophobicContact CE2-CG 3.69Å; F81-E85 HydrophobicContact CZ-CG 3.63Å; F81-E85 PolarHBondContact O-N 3.18Å; E85-G87 VanDerWaalsContact C-N 3.34Å; E85-G87 PolarHBondContact O-N 2.97Å; E85-R88 PolarHBondContact O-N 2.78Å; E85-R88 WeakPolarHBondContact OE2-CD 3.44Å; E85-F89 VanDerWaalsContact O-CB 3.29Å; E85-F89 WeakPolarHBondContact O-CB 3.46Å; E85-F89 PolarHBondContact O-N 2.8Å
86	W	90.1	Very high	91.1	Very high	160 Å²	160	105.8 Å²	105.8	61%	0.606	50%	0.498	S	S	*	.	H	α-helix	trans	-61.8	-41.6	169.5	-179.6	-99.3	0	0	0	112.1	I82 Y84 Q90	I82-W86 WeakPolarHBondContact O-CB 3.49Å; I82-W86 PolarHBondContact O-N 2.59Å; Y84-W86 VanDerWaalsContact C-N 3.35Å; Y84-W86 PolarHBondContact O-N 3.37Å; W86-Q90 HydrophobicContact CD2-CG 4.4Å; W86-Q90 HydrophobicContact CZ2-CG 4.29Å; W86-Q90 WeakPolarHBondContact O-CB 3.23Å; W86-Q90 VanDerWaalsContact O-CG 3.27Å; W86-Q90 WeakPolarHBondContact O-CG 3.37Å; W86-Q90 PolarHBondContact O-N 3.33Å
87	G	94.3	Very high	91.5	Very high	38 Å²	38	104 Å²	104	39%	0.392	48%	0.482	S	S	.	.	H	α-helix	trans	-62.9	-42.4	174.8	0	0	0	0	0	112.7	Q83 Y84 E85 A91	Q83-G87 PolarHBondContact O-N 2.85Å; Q83-G87 VanDerWaalsContact O-N 3.08Å; Y84-G87 CarbonylContact O-C 3.58Å; Y84-G87 WeakPolarHBondContact O-CA 3.37Å; Y84-G87 PolarHBondContact O-N 2.94Å; E85-G87 VanDerWaalsContact C-N 3.34Å; E85-G87 PolarHBondContact O-N 2.97Å; G87-A91 WeakPolarHBondContact O-CB 3.24Å; G87-A91 PolarHBondContact O-N 2.77Å
88	R	94.3	Very high	92.1	Very high	139 Å²	139	105.2 Å²	105.2	53%	0.525	49%	0.488	S	S	.	.	H	α-helix	trans	-61.1	-53.7	174	-179	-172.9	176.7	148.8	0.2	111.2	Y84 E85 Q90 A91 E92	Y84-R88 PolarHBondContact O-N 2.71Å; E85-R88 PolarHBondContact O-N 2.78Å; E85-R88 WeakPolarHBondContact OE2-CD 3.44Å; R88-Q90 VanDerWaalsContact C-N 3.31Å; R88-Q90 PolarHBondContact O-N 3.33Å; R88-A91 PolarHBondContact O-N 2.97Å; R88-A91 VanDerWaalsContact O-N 3.13Å; R88-E92 WeakPolarHBondContact O-CB 3.29Å; R88-E92 PolarHBondContact O-N 3.15Å
89	F	94.4	Very high	92.4	Very high	118 Å²	118	105.3 Å²	105.3	52%	0.518	49%	0.487	S	S	.	.	H	α-helix	trans	-59	-39.5	-180	178.5	-102.1	0	0	0	112.3	E85 K93	E85-F89 VanDerWaalsContact O-CB 3.29Å; E85-F89 WeakPolarHBondContact O-CB 3.46Å; E85-F89 PolarHBondContact O-N 2.8Å; F89-K93 VanDerWaalsContact O-CB 3.26Å; F89-K93 WeakPolarHBondContact O-CB 3.39Å; F89-K93 PolarHBondContact O-N 3.44Å
90	Q	93.6	Very high	92.8	Very high	47 Å²	47	104.6 Å²	104.6	22%	0.22	48%	0.476	C	S	.	.	H	α-helix	trans	-67	-43.9	173.9	-71.6	-67.1	-24	0	0	112.2	W86 R88 E92 K93 Y94	W86-Q90 HydrophobicContact CD2-CG 4.4Å; W86-Q90 HydrophobicContact CZ2-CG 4.29Å; W86-Q90 WeakPolarHBondContact O-CB 3.23Å; W86-Q90 VanDerWaalsContact O-CG 3.27Å; W86-Q90 WeakPolarHBondContact O-CG 3.37Å; W86-Q90 PolarHBondContact O-N 3.33Å; R88-Q90 VanDerWaalsContact C-N 3.31Å; R88-Q90 PolarHBondContact O-N 3.33Å; Q90-E92 VanDerWaalsContact C-N 3.33Å; Q90-E92 PolarHBondContact O-N 3.3Å; Q90-K93 PolarHBondContact O-N 2.59Å; Q90-Y94 HydrophobicContact CB-CE2 4.48Å; Q90-Y94 WeakPolarHBondContact O-CD2 3.38Å; Q90-Y94 PolarHBondContact O-N 2.82Å
91	A	92.1	Very high	93.2	Very high	64 Å²	64	101.8 Å²	101.8	53%	0.529	47%	0.466	S	S	.	.	H	α-helix	trans	-62.6	-40.9	176.8	0	0	0	0	0	112	G87 R88 Y94 R95	G87-A91 WeakPolarHBondContact O-CB 3.24Å; G87-A91 PolarHBondContact O-N 2.77Å; R88-A91 PolarHBondContact O-N 2.97Å; R88-A91 VanDerWaalsContact O-N 3.13Å; A91-Y94 PolarHBondContact O-N 3.27Å; A91-R95 PolarHBondContact O-N 2.99Å
92	E	93.5	Very high	93.6	Very high	91 Å²	91	102.7 Å²	102.7	43%	0.425	47%	0.472	S	S	.	.	H	α-helix	trans	-64.8	-47.3	174.2	-177.4	153.1	-158.5	0	0	111.3	R88 Q90 Y94 R95 W96	R88-E92 WeakPolarHBondContact O-CB 3.29Å; R88-E92 PolarHBondContact O-N 3.15Å; Q90-E92 VanDerWaalsContact C-N 3.33Å; Q90-E92 PolarHBondContact O-N 3.3Å; E92-Y94 VanDerWaalsContact C-N 3.35Å; E92-Y94 PolarHBondContact O-N 3.12Å; E92-R95 WeakPolarHBondContact O-CA 3.32Å; E92-R95 WeakPolarHBondContact O-CB 3.38Å; E92-R95 PolarHBondContact O-N 3.03Å; E92-R95 VanDerWaalsContact O-N 3.07Å; E92-W96 VanDerWaalsContact O-CD1 3.24Å; E92-W96 PolarHBondContact O-N 3.23Å
93	K	92.3	Very high	93.7	Very high	84 Å²	84	103.5 Å²	103.5	37%	0.365	48%	0.477	S	S	.	.	H	α-helix	trans	-56.2	-45.6	174.1	-175.2	179.2	-176.1	-85.4	0	112.3	F89 Q90 R95 W96 E97	F89-K93 VanDerWaalsContact O-CB 3.26Å; F89-K93 WeakPolarHBondContact O-CB 3.39Å; F89-K93 PolarHBondContact O-N 3.44Å; Q90-K93 PolarHBondContact O-N 2.59Å; K93-R95 VanDerWaalsContact C-N 3.29Å; K93-R95 PolarHBondContact O-N 2.86Å; K93-W96 PolarHBondContact O-N 3.45Å; K93-E97 HydrophobicContact CG-CG 4.49Å; K93-E97 IonicContact NZ-OE1 2.62Å; K93-E97 PolarHBondContact NZ-OE1 2.94Å; K93-E97 IonicContact NZ-OE2 3.67Å; K93-E97 WeakPolarHBondContact O-CG 3.02Å; K93-E97 PolarHBondContact O-N 2.94Å
94	Y	94.8	Very high	93.9	Very high	150 Å²	150	104.2 Å²	104.2	59%	0.588	47%	0.474	S	S	*	.	H	α-helix	trans	-64.2	-34	177.1	-75.6	-54.8	0	0	0	112.7	Q90 A91 E92 A98	Q90-Y94 HydrophobicContact CB-CE2 4.48Å; Q90-Y94 WeakPolarHBondContact O-CD2 3.38Å; Q90-Y94 PolarHBondContact O-N 2.82Å; A91-Y94 PolarHBondContact O-N 3.27Å; E92-Y94 VanDerWaalsContact C-N 3.35Å; E92-Y94 PolarHBondContact O-N 3.12Å; Y94-A98 WeakPolarHBondContact O-CB 3.23Å; Y94-A98 PolarHBondContact O-N 2.78Å
95	R	93.9	Very high	94	Very high	165 Å²	165	100.6 Å²	100.6	62%	0.623	47%	0.472	S	S	*	.	H	α-helix	trans	-65.5	-48.7	172.3	-178.1	-179.8	172.1	-160.9	-14.1	111.5	A91 E92 K93 E97 A98 E99	A91-R95 PolarHBondContact O-N 2.99Å; E92-R95 WeakPolarHBondContact O-CA 3.32Å; E92-R95 WeakPolarHBondContact O-CB 3.38Å; E92-R95 PolarHBondContact O-N 3.03Å; E92-R95 VanDerWaalsContact O-N 3.07Å; K93-R95 VanDerWaalsContact C-N 3.29Å; K93-R95 PolarHBondContact O-N 2.86Å; R95-E97 VanDerWaalsContact C-N 3.31Å; R95-E97 PolarHBondContact O-N 3.09Å; R95-A98 PolarHBondContact O-N 3.33Å; R95-A98 VanDerWaalsContact O-N 3.15Å; R95-E99 HydrophobicContact CG-CG 4.46Å; R95-E99 IonicContact CZ-OE1 2.75Å; R95-E99 IonicContact NE-OE1 3.43Å; R95-E99 PolarHBondContact NE-OE1 2.85Å; R95-E99 IonicContact NH2-OE1 3.27Å; R95-E99 PolarHBondContact NH2-OE1 3.23Å; R95-E99 PolarHBondContact O-N 3.41Å
96	W	93.2	Very high	93.9	Very high	167 Å²	167	102.4 Å²	102.4	63%	0.633	48%	0.48	S	S	*	.	H	α-helix	trans	-58.9	-39.1	174.8	-81.8	101.1	0	0	0	112.5	E92 K93 R100	E92-W96 VanDerWaalsContact O-CD1 3.24Å; E92-W96 PolarHBondContact O-N 3.23Å; K93-W96 PolarHBondContact O-N 3.45Å; W96-R100 WeakPolarHBondContact O-CB 3.3Å; W96-R100 PolarHBondContact O-N 2.76Å
97	E	94	Very high	94.1	Very high	57 Å²	57	98.4 Å²	98.4	27%	0.266	47%	0.474	S	S	.	.	H	α-helix	trans	-67	-36.6	175.6	-71.8	-176.4	161.8	0	0	112.5	K93 R95 D101	K93-E97 HydrophobicContact CG-CG 4.49Å; K93-E97 IonicContact NZ-OE1 2.62Å; K93-E97 PolarHBondContact NZ-OE1 2.94Å; K93-E97 IonicContact NZ-OE2 3.67Å; K93-E97 WeakPolarHBondContact O-CG 3.02Å; K93-E97 PolarHBondContact O-N 2.94Å; R95-E97 VanDerWaalsContact C-N 3.31Å; R95-E97 PolarHBondContact O-N 3.09Å; E97-D101 WeakPolarHBondContact O-CB 3.39Å; E97-D101 PolarHBondContact O-N 2.6Å; E97-D101 VanDerWaalsContact O-N 3.13Å
98	A	95.4	Very high	94.1	Very high	61 Å²	61	99.4 Å²	99.4	50%	0.504	48%	0.478	S	S	.	.	H	α-helix	trans	-69.4	-49.6	175.2	0	0	0	0	0	112.4	Y94 R95 R100 D101 E102	Y94-A98 WeakPolarHBondContact O-CB 3.23Å; Y94-A98 PolarHBondContact O-N 2.78Å; R95-A98 PolarHBondContact O-N 3.33Å; R95-A98 VanDerWaalsContact O-N 3.15Å; A98-R100 VanDerWaalsContact C-N 3.3Å; A98-R100 PolarHBondContact O-N 2.91Å; A98-D101 PolarHBondContact O-N 2.84Å; A98-D101 VanDerWaalsContact O-N 3.12Å; A98-E102 PolarHBondContact O-N 2.76Å
99	E	94.8	Very high	94.2	Very high	69 Å²	69	98.8 Å²	98.8	32%	0.322	48%	0.48	S	S	.	.	H	α-helix	trans	-61.5	-38.7	177.9	-70	177.8	-177.4	0	0	111.2	R95 L103	R95-E99 HydrophobicContact CG-CG 4.46Å; R95-E99 IonicContact CZ-OE1 2.75Å; R95-E99 IonicContact NE-OE1 3.43Å; R95-E99 PolarHBondContact NE-OE1 2.85Å; R95-E99 IonicContact NH2-OE1 3.27Å; R95-E99 PolarHBondContact NH2-OE1 3.23Å; R95-E99 PolarHBondContact O-N 3.41Å; E99-L103 WeakPolarHBondContact O-CB 3.12Å; E99-L103 VanDerWaalsContact O-CG 3.29Å; E99-L103 WeakPolarHBondContact O-CG 3.45Å; E99-L103 PolarHBondContact O-N 2.97Å
100	R	94.8	Very high	94.2	Very high	94 Å²	94	97.4 Å²	97.4	36%	0.355	48%	0.477	S	S	.	.	H	α-helix	trans	-59.1	-45.6	171.6	179.4	-158	70.5	-153.3	-5.4	112.5	W96 A98 L103 R104	W96-R100 WeakPolarHBondContact O-CB 3.3Å; W96-R100 PolarHBondContact O-N 2.76Å; A98-R100 VanDerWaalsContact C-N 3.3Å; A98-R100 PolarHBondContact O-N 2.91Å; R100-L103 PolarHBondContact O-N 2.93Å; R100-R104 VanDerWaalsContact NE-NH1 3.18Å; R100-R104 WeakPolarHBondContact O-CB 3.12Å; R100-R104 WeakPolarHBondContact O-CD 3.1Å; R100-R104 VanDerWaalsContact O-CG 3.27Å; R100-R104 WeakPolarHBondContact O-CG 3.4Å; R100-R104 PolarHBondContact O-N 3.28Å
101	D	95.9	Very high	94.1	Very high	71 Å²	71	101.4 Å²	101.4	38%	0.38	50%	0.496	S	S	.	.	H	α-helix	trans	-79	-25.9	-175.6	-70.7	-14.7	0	0	0	112.4	E97 A98 R104 A105	E97-D101 WeakPolarHBondContact O-CB 3.39Å; E97-D101 PolarHBondContact O-N 2.6Å; E97-D101 VanDerWaalsContact O-N 3.13Å; A98-D101 PolarHBondContact O-N 2.84Å; A98-D101 VanDerWaalsContact O-N 3.12Å; D101-R104 VanDerWaalsContact OD1-CD 3.25Å; D101-R104 WeakPolarHBondContact OD1-CD 3.39Å; D101-R104 IonicContact OD1-CZ 2.94Å; D101-R104 IonicContact OD1-NE 2.65Å; D101-R104 IonicContact OD1-NH1 2.88Å; D101-R104 PolarHBondContact OD1-NH1 2.85Å; D101-A105 PolarHBondContact O-N 3.03Å
102	E	96.6	Very high	94.2	Very high	143 Å²	143	100.5 Å²	100.5	67%	0.668	49%	0.493	S	S	*	.	H	α-helix	trans	-63.9	-49.8	164.6	-179.5	169.7	-163.8	0	0	111.5	A98 R104 A105 Q106	A98-E102 PolarHBondContact O-N 2.76Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.25Å; E102-A105 WeakPolarHBondContact O-CB 3.23Å; E102-A105 PolarHBondContact O-N 3.02Å; E102-A105 VanDerWaalsContact O-N 3.08Å; E102-Q106 PolarHBondContact O-N 2.89Å
103	L	95	Very high	94.3	Very high	117 Å²	117	100.6 Å²	100.6	61%	0.613	49%	0.493	S	S	*	.	H	α-helix	trans	-59.8	-38.3	175.7	-72.7	170.2	0	0	0	112.1	E99 R100 Q106 V107	E99-L103 WeakPolarHBondContact O-CB 3.12Å; E99-L103 VanDerWaalsContact O-CG 3.29Å; E99-L103 WeakPolarHBondContact O-CG 3.45Å; E99-L103 PolarHBondContact O-N 2.97Å; R100-L103 PolarHBondContact O-N 2.93Å; L103-Q106 PolarHBondContact O-N 3.17Å; L103-V107 WeakPolarHBondContact O-CG2 3.39Å; L103-V107 PolarHBondContact O-N 3.29Å
104	R	91.9	Very high	94.4	Very high	152 Å²	152	106 Å²	106	57%	0.574	51%	0.511	S	S	*	.	H	α-helix	trans	-63.5	-41.1	172.9	-76.6	163.8	164.1	-171.1	-8	112.5	R100 D101 E102 V107 A108	R100-R104 VanDerWaalsContact NE-NH1 3.18Å; R100-R104 WeakPolarHBondContact O-CB 3.12Å; R100-R104 WeakPolarHBondContact O-CD 3.1Å; R100-R104 VanDerWaalsContact O-CG 3.27Å; R100-R104 WeakPolarHBondContact O-CG 3.4Å; R100-R104 PolarHBondContact O-N 3.28Å; D101-R104 VanDerWaalsContact OD1-CD 3.25Å; D101-R104 WeakPolarHBondContact OD1-CD 3.39Å; D101-R104 IonicContact OD1-CZ 2.94Å; D101-R104 IonicContact OD1-NE 2.65Å; D101-R104 IonicContact OD1-NH1 2.88Å; D101-R104 PolarHBondContact OD1-NH1 2.85Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 3.25Å; R104-V107 PolarHBondContact O-N 2.58Å; R104-A108 WeakPolarHBondContact O-CB 3.4Å; R104-A108 PolarHBondContact O-N 3.3Å
105	A	94.9	Very high	94.4	Very high	62 Å²	62	105.8 Å²	105.8	51%	0.512	51%	0.513	S	S	.	.	H	α-helix	trans	-64.1	-41.8	175.1	0	0	0	0	0	111.6	D101 E102 A108 F109	D101-A105 PolarHBondContact O-N 3.03Å; E102-A105 WeakPolarHBondContact O-CB 3.23Å; E102-A105 PolarHBondContact O-N 3.02Å; E102-A105 VanDerWaalsContact O-N 3.08Å; A105-A108 PolarHBondContact O-N 3.35Å; A105-F109 PolarHBondContact O-N 3.15Å
106	Q	93	Very high	94.3	Very high	101 Å²	101	99.8 Å²	99.8	47%	0.472	50%	0.503	S	S	.	.	H	α-helix	trans	-65.1	-41.3	177	-174.6	60.6	14.6	0	0	112.3	E102 L103 F109 L110	E102-Q106 PolarHBondContact O-N 2.89Å; L103-Q106 PolarHBondContact O-N 3.17Å; Q106-F109 PolarHBondContact O-N 2.93Å; Q106-L110 HydrophobicContact CG-CD1 4.24Å; Q106-L110 WeakPolarHBondContact O-CG 3.48Å; Q106-L110 PolarHBondContact O-N 2.83Å
107	V	93.1	Very high	94.3	Very high	77 Å²	77	97 Å²	97	47%	0.467	50%	0.497	S	S	.	.	H	α-helix	trans	-62.4	-43	173.3	168.8	0	0	0	0	111.2	L103 R104 F109 L110 Q111	L103-V107 WeakPolarHBondContact O-CG2 3.39Å; L103-V107 PolarHBondContact O-N 3.29Å; R104-V107 PolarHBondContact O-N 2.58Å; V107-F109 PolarHBondContact O-N 3.25Å; V107-L110 PolarHBondContact O-N 3.14Å; V107-Q111 HydrophobicContact CG1-CG 4.4Å; V107-Q111 WeakPolarHBondContact O-CB 3.33Å; V107-Q111 VanDerWaalsContact O-CG 3.26Å; V107-Q111 WeakPolarHBondContact O-CG 3.27Å; V107-Q111 PolarHBondContact O-N 3.06Å
108	A	94.9	Very high	94.2	Very high	59 Å²	59	97.8 Å²	97.8	49%	0.488	50%	0.501	S	S	.	.	H	α-helix	trans	-64	-38.5	176.7	0	0	0	0	0	112.5	R104 A105 G112	R104-A108 WeakPolarHBondContact O-CB 3.4Å; R104-A108 PolarHBondContact O-N 3.3Å; A105-A108 PolarHBondContact O-N 3.35Å; A108-G112 PolarHBondContact O-N 3.04Å
109	F	95.1	Very high	94.1	Very high	126 Å²	126	99 Å²	99	55%	0.553	50%	0.499	S	S	*	.	H	α-helix	trans	-61.3	-52.7	174.1	179.1	-89.7	0	0	0	111.6	A105 Q106 V107 Q111 G112 E113	A105-F109 PolarHBondContact O-N 3.15Å; Q106-F109 PolarHBondContact O-N 2.93Å; V107-F109 PolarHBondContact O-N 3.25Å; F109-Q111 VanDerWaalsContact C-N 3.33Å; F109-Q111 PolarHBondContact O-N 2.9Å; F109-G112 WeakPolarHBondContact O-CA 3.29Å; F109-G112 PolarHBondContact O-N 3.4Å; F109-E113 PolarHBondContact O-N 3.1Å
110	L	95.4	Very high	94	Very high	89 Å²	89	101.5 Å²	101.5	47%	0.466	51%	0.512	S	S	.	.	H	α-helix	trans	-63.8	-35.6	-179.4	-68.7	170.4	0	0	0	112.6	Q106 V107 E113 R114	Q106-L110 HydrophobicContact CG-CD1 4.24Å; Q106-L110 WeakPolarHBondContact O-CG 3.48Å; Q106-L110 PolarHBondContact O-N 2.83Å; V107-L110 PolarHBondContact O-N 3.14Å; L110-E113 PolarHBondContact O-N 3.37Å; L110-R114 WeakPolarHBondContact O-CB 3.41Å; L110-R114 PolarHBondContact O-N 3.49Å
111	Q	90.6	Very high	94.1	Very high	130 Å²	130	102.3 Å²	102.3	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-65.1	-39.2	171.7	-74	177.7	7.7	0	0	112.1	V107 F109 K115	V107-Q111 HydrophobicContact CG1-CG 4.4Å; V107-Q111 WeakPolarHBondContact O-CB 3.33Å; V107-Q111 VanDerWaalsContact O-CG 3.26Å; V107-Q111 WeakPolarHBondContact O-CG 3.27Å; V107-Q111 PolarHBondContact O-N 3.06Å; F109-Q111 VanDerWaalsContact C-N 3.33Å; F109-Q111 PolarHBondContact O-N 2.9Å; Q111-K115 WeakPolarHBondContact O-CB 3.46Å; Q111-K115 PolarHBondContact O-N 3.2Å
112	G	95	Very high	93.9	Very high	45 Å²	45	103.3 Å²	103.3	46%	0.464	52%	0.52	S	S	.	.	H	α-helix	trans	-62.4	-46.1	173.7	0	0	0	0	0	112.6	A108 F109 K115 G116	A108-G112 PolarHBondContact O-N 3.04Å; F109-G112 WeakPolarHBondContact O-CA 3.29Å; F109-G112 PolarHBondContact O-N 3.4Å; G112-K115 PolarHBondContact O-N 3.37Å; G112-G116 PolarHBondContact O-N 2.89Å
113	E	95.6	Very high	93.8	Very high	94 Å²	94	99.1 Å²	99.1	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-48.8	176.9	-172.9	175.9	177.5	0	0	111.7	F109 L110 K115 G116 Q117	F109-E113 PolarHBondContact O-N 3.1Å; L110-E113 PolarHBondContact O-N 3.37Å; E113-K115 VanDerWaalsContact C-N 3.26Å; E113-K115 PolarHBondContact O-N 2.83Å; E113-G116 CarbonylContact O-C 3.57Å; E113-G116 WeakPolarHBondContact O-CA 3.31Å; E113-G116 PolarHBondContact O-N 3.18Å; E113-Q117 WeakPolarHBondContact O-CG 3.42Å; E113-Q117 PolarHBondContact O-N 2.9Å; E113-Q117 PolarHBondContact OE1-NE2 2.98Å
114	R	95	Very high	93.7	Very high	196 Å²	196	97.5 Å²	97.5	74%	0.74	49%	0.494	S	S	*	.	H	α-helix	trans	-55.5	-41.2	175.7	-174.1	-176.6	-179.4	-146.2	-0.3	112	L110 Q117 E118	L110-R114 WeakPolarHBondContact O-CB 3.41Å; L110-R114 PolarHBondContact O-N 3.49Å; R114-Q117 PolarHBondContact O-N 3.36Å; R114-E118 PolarHBondContact O-N 2.65Å
115	K	94.1	Very high	93.9	Very high	146 Å²	146	93.5 Å²	93.5	64%	0.635	49%	0.486	S	S	*	.	H	α-helix	trans	-66.5	-36.8	175.6	-171.4	174.6	-176.6	176	0	112.1	Q111 G112 E113 N119	Q111-K115 WeakPolarHBondContact O-CB 3.46Å; Q111-K115 PolarHBondContact O-N 3.2Å; G112-K115 PolarHBondContact O-N 3.37Å; E113-K115 VanDerWaalsContact C-N 3.26Å; E113-K115 PolarHBondContact O-N 2.83Å; K115-N119 WeakPolarHBondContact O-CB 3.28Å; K115-N119 PolarHBondContact O-N 2.85Å; K115-N119 PolarHBondContact O-ND2 3.33Å; K115-N119 PolarHBondContact O-OD1 3.06Å
116	G	92.6	Very high	93.8	Very high	39 Å²	39	97.8 Å²	97.8	40%	0.402	49%	0.489	S	S	.	.	H	α-helix	trans	-62.5	-45.5	172.2	0	0	0	0	0	112.8	G112 E113 N119 M120	G112-G116 PolarHBondContact O-N 2.89Å; E113-G116 CarbonylContact O-C 3.57Å; E113-G116 WeakPolarHBondContact O-CA 3.31Å; E113-G116 PolarHBondContact O-N 3.18Å; G116-N119 PolarHBondContact O-N 3.46Å; G116-M120 PolarHBondContact O-N 2.84Å
117	Q	93.5	Very high	93.9	Very high	110 Å²	110	99.3 Å²	99.3	51%	0.514	49%	0.491	S	S	.	.	H	α-helix	trans	-63.5	-45.3	177.1	-66.9	178.3	5.1	0	0	111.8	E113 R114 N119 M120 K121	E113-Q117 WeakPolarHBondContact O-CG 3.42Å; E113-Q117 PolarHBondContact O-N 2.9Å; E113-Q117 PolarHBondContact OE1-NE2 2.98Å; R114-Q117 PolarHBondContact O-N 3.36Å; Q117-N119 PolarHBondContact O-N 3.27Å; Q117-M120 PolarHBondContact O-N 2.97Å; Q117-K121 WeakPolarHBondContact O-CB 3.36Å; Q117-K121 PolarHBondContact O-N 2.84Å
118	E	91.8	Very high	94	Very high	73 Å²	73	100 Å²	100	34%	0.341	49%	0.49	S	S	.	.	H	α-helix	trans	-65	-39.8	177.6	-173.5	58.2	-137.2	0	0	112.1	R114 M120 K121 Q122	R114-E118 PolarHBondContact O-N 2.65Å; E118-M120 VanDerWaalsContact C-N 3.31Å; E118-M120 PolarHBondContact O-N 3.3Å; E118-K121 WeakPolarHBondContact O-CB 3.34Å; E118-K121 PolarHBondContact O-N 2.65Å; E118-K121 IonicContact OE1-NZ 4Å; E118-K121 PolarHBondContact OE1-NZ 3.29Å; E118-K121 IonicContact OE2-NZ 3.52Å; E118-K121 PolarHBondContact OE2-NZ 3.42Å; E118-Q122 WeakPolarHBondContact O-CG 3.39Å; E118-Q122 PolarHBondContact O-N 2.95Å
119	N	92.9	Very high	93.9	Very high	87 Å²	87	103.8 Å²	103.8	47%	0.465	50%	0.496	S	S	.	.	H	α-helix	trans	-59.2	-41.6	172.3	-75.1	-9.8	0	0	0	112	K115 G116 Q117 Q122 D123	K115-N119 WeakPolarHBondContact O-CB 3.28Å; K115-N119 PolarHBondContact O-N 2.85Å; K115-N119 PolarHBondContact O-ND2 3.33Å; K115-N119 PolarHBondContact O-OD1 3.06Å; G116-N119 PolarHBondContact O-N 3.46Å; Q117-N119 PolarHBondContact O-N 3.27Å; N119-Q122 PolarHBondContact O-N 3.41Å; N119-D123 PolarHBondContact O-N 3.48Å
120	M	93.2	Very high	93.7	Very high	120 Å²	120	104.5 Å²	104.5	59%	0.591	50%	0.503	S	S	*	.	H	α-helix	trans	-67.9	-39.7	177.2	-169.6	172.4	73.5	0	0	111.8	G116 Q117 E118 Q122 D123 L124	G116-M120 PolarHBondContact O-N 2.84Å; Q117-M120 PolarHBondContact O-N 2.97Å; E118-M120 VanDerWaalsContact C-N 3.31Å; E118-M120 PolarHBondContact O-N 3.3Å; M120-Q122 PolarHBondContact O-N 2.85Å; M120-D123 PolarHBondContact O-N 2.61Å; M120-L124 HydrophobicContact CG-CD1 4.3Å; M120-L124 WeakPolarHBondContact O-CG 3.39Å; M120-L124 PolarHBondContact O-N 2.97Å
121	K	95.9	Very high	93.7	Very high	111 Å²	111	106.1 Å²	106.1	48%	0.483	51%	0.512	S	S	.	.	H	α-helix	trans	-58.6	-44.1	171.8	165.8	168.5	161.3	-95.5	0	111.8	Q117 E118 D123 L124 V125	Q117-K121 WeakPolarHBondContact O-CB 3.36Å; Q117-K121 PolarHBondContact O-N 2.84Å; E118-K121 WeakPolarHBondContact O-CB 3.34Å; E118-K121 PolarHBondContact O-N 2.65Å; E118-K121 IonicContact OE1-NZ 4Å; E118-K121 PolarHBondContact OE1-NZ 3.29Å; E118-K121 IonicContact OE2-NZ 3.52Å; E118-K121 PolarHBondContact OE2-NZ 3.42Å; K121-D123 PolarHBondContact O-N 3.28Å; K121-L124 PolarHBondContact O-N 3.19Å; K121-V125 WeakPolarHBondContact O-CG2 3.3Å; K121-V125 PolarHBondContact O-N 3.15Å
122	Q	92.6	Very high	93.8	Very high	92 Å²	92	105.4 Å²	105.4	43%	0.43	51%	0.508	S	S	.	.	H	α-helix	trans	-67.9	-30.9	176.6	-69.7	176.6	14.6	0	0	113.9	E118 N119 M120 R126	E118-Q122 WeakPolarHBondContact O-CG 3.39Å; E118-Q122 PolarHBondContact O-N 2.95Å; N119-Q122 PolarHBondContact O-N 3.41Å; M120-Q122 PolarHBondContact O-N 2.85Å; Q122-R126 WeakPolarHBondContact O-CG 3.06Å; Q122-R126 PolarHBondContact O-N 2.87Å; Q122-R126 PolarHBondContact O-NE 2.94Å
123	D	94.5	Very high	93.6	Very high	55 Å²	55	110.3 Å²	110.3	29%	0.294	51%	0.514	S	S	.	.	H	α-helix	trans	-69.7	-47.5	170.4	179.2	24	0	0	0	111.1	N119 M120 K121 V125 R126 R127	N119-D123 PolarHBondContact O-N 3.48Å; M120-D123 PolarHBondContact O-N 2.61Å; K121-D123 PolarHBondContact O-N 3.28Å; D123-V125 PolarHBondContact O-N 3.3Å; D123-R126 PolarHBondContact O-N 2.79Å; D123-R126 VanDerWaalsContact O-N 3.17Å; D123-R127 VanDerWaalsContact CG-NE 3.32Å; D123-R127 WeakPolarHBondContact O-CG 3.34Å; D123-R127 PolarHBondContact O-N 2.88Å; D123-R127 IonicContact OD1-CZ 3.87Å; D123-R127 IonicContact OD1-NE 3.88Å; D123-R127 PolarHBondContact OD1-NE 2.95Å; D123-R127 IonicContact OD1-NH2 2.78Å; D123-R127 PolarHBondContact OD1-NH2 2.85Å; D123-R127 IonicContact OD2-CZ 3.93Å; D123-R127 VanDerWaalsContact OD2-CZ 3.27Å; D123-R127 IonicContact OD2-NE 3.44Å; D123-R127 PolarHBondContact OD2-NE 2.93Å; D123-R127 IonicContact OD2-NH2 3.28Å; D123-R127 PolarHBondContact OD2-NH2 3.23Å
124	L	92.7	Very high	93.5	Very high	84 Å²	84	108.2 Å²	108.2	44%	0.44	51%	0.512	S	S	.	.	H	α-helix	trans	-58.4	-45.5	175.7	-70.9	169.9	0	0	0	112.5	M120 K121 R126 R127 I128	M120-L124 HydrophobicContact CG-CD1 4.3Å; M120-L124 WeakPolarHBondContact O-CG 3.39Å; M120-L124 PolarHBondContact O-N 2.97Å; K121-L124 PolarHBondContact O-N 3.19Å; L124-R126 VanDerWaalsContact C-N 3.33Å; L124-R126 PolarHBondContact O-N 3.32Å; L124-R127 PolarHBondContact O-N 3.46Å; L124-I128 WeakPolarHBondContact O-CG1 3.3Å; L124-I128 PolarHBondContact O-N 2.94Å
125	V	94.6	Very high	93.3	Very high	68 Å²	68	103.2 Å²	103.2	41%	0.412	50%	0.5	S	S	.	.	H	α-helix	trans	-61.2	-39.7	176	169	0	0	0	0	111.8	K121 D123 I128 K129	K121-V125 WeakPolarHBondContact O-CG2 3.3Å; K121-V125 PolarHBondContact O-N 3.15Å; D123-V125 PolarHBondContact O-N 3.3Å; V125-I128 PolarHBondContact O-N 2.94Å; V125-K129 WeakPolarHBondContact O-CG 3.39Å; V125-K129 PolarHBondContact O-N 3Å
126	R	93.4	Very high	93.2	Very high	151 Å²	151	104 Å²	104	57%	0.57	50%	0.503	S	S	*	.	H	α-helix	trans	-65.1	-41	174.6	-79.7	179	-73.3	-170.3	-1.9	112	Q122 D123 L124 K129 M130	Q122-R126 WeakPolarHBondContact O-CG 3.06Å; Q122-R126 PolarHBondContact O-N 2.87Å; Q122-R126 PolarHBondContact O-NE 2.94Å; D123-R126 PolarHBondContact O-N 2.79Å; D123-R126 VanDerWaalsContact O-N 3.17Å; L124-R126 VanDerWaalsContact C-N 3.33Å; L124-R126 PolarHBondContact O-N 3.32Å; R126-K129 PolarHBondContact O-N 2.87Å; R126-M130 WeakPolarHBondContact O-CG 3.4Å; R126-M130 PolarHBondContact O-N 2.63Å
127	R	94.4	Very high	93.2	Very high	134 Å²	134	107.2 Å²	107.2	51%	0.506	51%	0.508	S	S	.	.	H	α-helix	trans	-64.7	-40.5	175.7	-66	170.5	-170.3	-153.8	6.9	112.3	D123 L124 M130 L131	D123-R127 VanDerWaalsContact CG-NE 3.32Å; D123-R127 WeakPolarHBondContact O-CG 3.34Å; D123-R127 PolarHBondContact O-N 2.88Å; D123-R127 IonicContact OD1-CZ 3.87Å; D123-R127 IonicContact OD1-NE 3.88Å; D123-R127 PolarHBondContact OD1-NE 2.95Å; D123-R127 IonicContact OD1-NH2 2.78Å; D123-R127 PolarHBondContact OD1-NH2 2.85Å; D123-R127 IonicContact OD2-CZ 3.93Å; D123-R127 VanDerWaalsContact OD2-CZ 3.27Å; D123-R127 IonicContact OD2-NE 3.44Å; D123-R127 PolarHBondContact OD2-NE 2.93Å; D123-R127 IonicContact OD2-NH2 3.28Å; D123-R127 PolarHBondContact OD2-NH2 3.23Å; L124-R127 PolarHBondContact O-N 3.46Å; R127-M130 PolarHBondContact O-N 3.29Å; R127-L131 WeakPolarHBondContact O-CG 3.3Å; R127-L131 PolarHBondContact O-N 3.43Å
128	I	95.4	Very high	93	Very high	90 Å²	90	106.7 Å²	106.7	46%	0.462	51%	0.505	S	S	.	.	H	α-helix	trans	-59	-52.5	174	-69.9	163.7	0	0	0	109.7	L124 V125 M130 L131 E132	L124-I128 WeakPolarHBondContact O-CG1 3.3Å; L124-I128 PolarHBondContact O-N 2.94Å; V125-I128 PolarHBondContact O-N 2.94Å; I128-M130 VanDerWaalsContact C-N 3.28Å; I128-M130 PolarHBondContact O-N 3.1Å; I128-L131 PolarHBondContact O-N 3.13Å; I128-E132 HydrophobicContact CG2-CG 4.21Å; I128-E132 WeakPolarHBondContact O-CG 3.48Å; I128-E132 PolarHBondContact O-N 3.04Å
129	K	93.1	Very high	92.8	Very high	140 Å²	140	111.5 Å²	111.5	61%	0.609	52%	0.52	S	S	*	.	H	α-helix	trans	-57.3	-37.4	177	-72	-174.5	175	-168.6	0	113.5	V125 R126 E132 Y133	V125-K129 WeakPolarHBondContact O-CG 3.39Å; V125-K129 PolarHBondContact O-N 3Å; R126-K129 PolarHBondContact O-N 2.87Å; K129-E132 WeakPolarHBondContact CA-OE2 3.46Å; K129-Y133 VanDerWaalsContact O-CB 3.32Å; K129-Y133 WeakPolarHBondContact O-CB 3.47Å; K129-Y133 PolarHBondContact O-N 2.95Å
130	M	91.1	Very high	92.3	Very high	140 Å²	140	109.3 Å²	109.3	69%	0.69	51%	0.514	S	S	*	.	H	α-helix	trans	-66.5	-39.8	174.1	-72.5	-179.6	71.3	0	0	112.8	R126 R127 I128 A134	R126-M130 WeakPolarHBondContact O-CG 3.4Å; R126-M130 PolarHBondContact O-N 2.63Å; R127-M130 PolarHBondContact O-N 3.29Å; I128-M130 VanDerWaalsContact C-N 3.28Å; I128-M130 PolarHBondContact O-N 3.1Å; M130-A134 WeakPolarHBondContact O-CB 3.14Å; M130-A134 PolarHBondContact O-N 3.19Å
131	L	95.1	Very high	92	Very high	124 Å²	124	109.1 Å²	109.1	65%	0.649	51%	0.51	S	S	*	.	H	α-helix	trans	-70.2	-40.7	177	-70.6	168.6	0	0	0	111.8	R127 I128 A134 L135	R127-L131 WeakPolarHBondContact O-CG 3.3Å; R127-L131 PolarHBondContact O-N 3.43Å; I128-L131 PolarHBondContact O-N 3.13Å; L131-A134 PolarHBondContact O-N 2.94Å; L131-L135 VanDerWaalsContact O-CB 3.27Å; L131-L135 WeakPolarHBondContact O-CB 3.46Å; L131-L135 PolarHBondContact O-N 3.44Å
132	E	92.3	Very high	91.1	Very high	114 Å²	114	109.3 Å²	109.3	53%	0.533	51%	0.512	S	S	.	.	H	α-helix	trans	-59.9	-45.2	172.9	-70.7	171.1	155.7	0	0	111.4	I128 K129 L135 K136	I128-E132 HydrophobicContact CG2-CG 4.21Å; I128-E132 WeakPolarHBondContact O-CG 3.48Å; I128-E132 PolarHBondContact O-N 3.04Å; K129-E132 WeakPolarHBondContact CA-OE2 3.46Å; E132-L135 PolarHBondContact O-N 3.19Å; E132-K136 WeakPolarHBondContact O-CB 3.45Å; E132-K136 PolarHBondContact O-N 2.97Å
133	Y	92.3	Very high	90.3	Very high	149 Å²	149	111.2 Å²	111.2	58%	0.584	52%	0.522	S	S	*	.	H	α-helix	trans	-63.3	-45.5	176.5	-177.4	-97.6	0	0	0	112.1	K129 L135 K136 Q137	K129-Y133 VanDerWaalsContact O-CB 3.32Å; K129-Y133 WeakPolarHBondContact O-CB 3.47Å; K129-Y133 PolarHBondContact O-N 2.95Å; Y133-L135 PolarHBondContact O-N 2.84Å; Y133-K136 PolarHBondContact O-N 3.3Å; Y133-Q137 HydrophobicContact CD1-CG 4.46Å; Y133-Q137 HydrophobicContact CE1-CG 4.06Å; Y133-Q137 VanDerWaalsContact CZ-NE2 3.35Å; Y133-Q137 PolarHBondContact O-N 3.28Å; Y133-Q137 PolarHBondContact OH-NE2 2.85Å
134	A	92.7	Very high	89.5	Confident	50 Å²	50	116.7 Å²	116.7	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-62	-41.4	175.5	0	0	0	0	0	112.1	M130 L131 Q137 E138	M130-A134 WeakPolarHBondContact O-CB 3.14Å; M130-A134 PolarHBondContact O-N 3.19Å; L131-A134 PolarHBondContact O-N 2.94Å; A134-Q137 PolarHBondContact O-N 2.9Å; A134-E138 PolarHBondContact O-N 2.83Å
135	L	92	Very high	88.4	Confident	91 Å²	91	118.8 Å²	118.8	48%	0.476	55%	0.554	S	S	.	*	H	α-helix	trans	-66.5	-37.3	175.7	-175.8	63.8	0	0	0	112	L131 E132 Y133 E138 R139	L131-L135 VanDerWaalsContact O-CB 3.27Å; L131-L135 WeakPolarHBondContact O-CB 3.46Å; L131-L135 PolarHBondContact O-N 3.44Å; E132-L135 PolarHBondContact O-N 3.19Å; Y133-L135 PolarHBondContact O-N 2.84Å; L135-E138 PolarHBondContact O-N 3.15Å; L135-R139 WeakPolarHBondContact O-CB 3.15Å; L135-R139 VanDerWaalsContact O-CG 3.28Å; L135-R139 WeakPolarHBondContact O-CG 3.33Å; L135-R139 PolarHBondContact O-N 3.02Å
136	K	92.1	Very high	87.1	Confident	162 Å²	162	123.9 Å²	123.9	70%	0.704	57%	0.57	S	S	*	*	H	α-helix	trans	-65.2	-40.9	173.7	-169.1	174.8	-177.4	178.1	0	111.2	E132 Y133 A140	E132-K136 WeakPolarHBondContact O-CB 3.45Å; E132-K136 PolarHBondContact O-N 2.97Å; Y133-K136 PolarHBondContact O-N 3.3Å; K136-A140 WeakPolarHBondContact O-CB 3.38Å; K136-A140 PolarHBondContact O-N 2.73Å
137	Q	90.9	Very high	85.4	Confident	107 Å²	107	121.1 Å²	121.1	50%	0.5	57%	0.574	S	S	.	*	H	α-helix	trans	-63.4	-48.3	172.9	-74.7	-162.8	-9.2	0	0	112.4	Y133 A134 R139 A140 K141	Y133-Q137 HydrophobicContact CD1-CG 4.46Å; Y133-Q137 HydrophobicContact CE1-CG 4.06Å; Y133-Q137 VanDerWaalsContact CZ-NE2 3.35Å; Y133-Q137 PolarHBondContact O-N 3.28Å; Y133-Q137 PolarHBondContact OH-NE2 2.85Å; A134-Q137 PolarHBondContact O-N 2.9Å; Q137-R139 PolarHBondContact O-N 2.89Å; Q137-A140 PolarHBondContact O-N 2.88Å; Q137-K141 VanDerWaalsContact O-CB 3.24Å; Q137-K141 WeakPolarHBondContact O-CB 3.16Å; Q137-K141 PolarHBondContact O-N 2.82Å
138	E	89.5	Confident	83.3	Confident	98 Å²	98	117.6 Å²	117.6	46%	0.458	58%	0.579	S	S	.	*	H	α-helix	trans	-61.8	-43.3	177.3	-92.1	-68.8	118	0	0	111.8	A134 L135 K141 H142	A134-E138 PolarHBondContact O-N 2.83Å; L135-E138 PolarHBondContact O-N 3.15Å; E138-K141 PolarHBondContact O-N 3.14Å; E138-K141 WeakPolarHBondContact OE1-CD 3.47Å; E138-K141 IonicContact OE1-NZ 3.56Å; E138-K141 PolarHBondContact OE1-NZ 2.87Å; E138-H142 VanDerWaalsContact O-CB 3.25Å; E138-H142 WeakPolarHBondContact O-CB 3.43Å; E138-H142 PolarHBondContact O-N 3.32Å
139	R	88.8	Confident	80.9	Confident	174 Å²	174	119.9 Å²	119.9	66%	0.657	59%	0.592	S	S	*	*	H	α-helix	trans	-60	-46.8	174.2	-75.7	176.4	176.3	-173.6	-0.6	112	L135 Q137 K141 H142 Q143	L135-R139 WeakPolarHBondContact O-CB 3.15Å; L135-R139 VanDerWaalsContact O-CG 3.28Å; L135-R139 WeakPolarHBondContact O-CG 3.33Å; L135-R139 PolarHBondContact O-N 3.02Å; Q137-R139 PolarHBondContact O-N 2.89Å; R139-K141 PolarHBondContact O-N 2.88Å; R139-H142 PolarHBondContact O-N 2.99Å; R139-Q143 WeakPolarHBondContact O-CB 3.27Å; R139-Q143 PolarHBondContact O-N 3.46Å
140	A	82.5	Confident	78	Confident	41 Å²	41	119 Å²	119	34%	0.339	59%	0.594	S	S	.	*	H	α-helix	trans	-64.9	-38	178.2	0	0	0	0	0	112.7	K136 Q137 Q143 K144	K136-A140 WeakPolarHBondContact O-CB 3.38Å; K136-A140 PolarHBondContact O-N 2.73Å; Q137-A140 PolarHBondContact O-N 2.88Å; A140-Q143 PolarHBondContact O-N 3.41Å; A140-K144 WeakPolarHBondContact O-CG 3.49Å; A140-K144 PolarHBondContact O-N 2.9Å
141	K	85.3	Confident	75.4	Confident	117 Å²	117	120.4 Å²	120.4	51%	0.509	60%	0.599	S	S	.	*	H	α-helix	trans	-68	-43.7	175.3	176.8	-179.3	158.5	-151.5	0	111.7	Q137 E138 R139 Q143 K144 L145	Q137-K141 VanDerWaalsContact O-CB 3.24Å; Q137-K141 WeakPolarHBondContact O-CB 3.16Å; Q137-K141 PolarHBondContact O-N 2.82Å; E138-K141 PolarHBondContact O-N 3.14Å; E138-K141 WeakPolarHBondContact OE1-CD 3.47Å; E138-K141 IonicContact OE1-NZ 3.56Å; E138-K141 PolarHBondContact OE1-NZ 2.87Å; R139-K141 PolarHBondContact O-N 2.88Å; K141-Q143 VanDerWaalsContact C-N 3.34Å; K141-K144 PolarHBondContact O-N 3.44Å; K141-L145 HydrophobicContact CG-CD1 4.36Å; K141-L145 WeakPolarHBondContact O-CG 3.43Å; K141-L145 PolarHBondContact O-N 3.12Å
142	H	77.6	Confident	72.5	Confident	114 Å²	114	119.6 Å²	119.6	53%	0.528	60%	0.604	S	S	.	*	H	α-helix	trans	-66.5	-35.6	174.9	-167.9	-65.1	0	0	0	111.7	E138 R139 L145 K146	E138-H142 VanDerWaalsContact O-CB 3.25Å; E138-H142 WeakPolarHBondContact O-CB 3.43Å; E138-H142 PolarHBondContact O-N 3.32Å; R139-H142 PolarHBondContact O-N 2.99Å; H142-L145 PolarHBondContact O-N 3.16Å; H142-K146 VanDerWaalsContact O-CB 3.26Å; H142-K146 WeakPolarHBondContact O-CB 3.42Å; H142-K146 PolarHBondContact O-N 2.97Å
143	Q	76.8	Confident	70.1	Confident	133 Å²	133	120.5 Å²	120.5	62%	0.621	62%	0.62	S	S	*	*	H	α-helix	trans	-64.3	-47.5	172.3	-172.6	177.7	7.9	0	0	111	R139 A140 K141 L145 K146 S147	R139-Q143 WeakPolarHBondContact O-CB 3.27Å; R139-Q143 PolarHBondContact O-N 3.46Å; A140-Q143 PolarHBondContact O-N 3.41Å; K141-Q143 VanDerWaalsContact C-N 3.34Å; Q143-L145 VanDerWaalsContact C-N 3.29Å; Q143-L145 PolarHBondContact O-N 3.16Å; Q143-K146 PolarHBondContact O-N 2.86Å; Q143-S147 WeakPolarHBondContact O-CB 3.3Å; Q143-S147 PolarHBondContact O-N 3.25Å; Q143-S147 PolarHBondContact O-OG 3.15Å
144	K	76.1	Confident	67.1	Low	169 Å²	169	116.5 Å²	116.5	74%	0.735	62%	0.624	S	S	*	*	H	α-helix	trans	-58.9	-37.1	174.7	-73.9	176.4	-179.3	-172.3	0	112.9	A140 K141 G148	A140-K144 WeakPolarHBondContact O-CG 3.49Å; A140-K144 PolarHBondContact O-N 2.9Å; K141-K144 PolarHBondContact O-N 3.44Å; K144-G148 PolarHBondContact O-N 2.88Å
145	L	71.4	Confident	64.2	Low	129 Å²	129	121.6 Å²	121.6	68%	0.675	64%	0.644	S	S	*	*	H	α-helix	trans	-69.7	-36.6	173	-75.5	162.7	0	0	0	112.9	K141 H142 Q143 G148	K141-L145 HydrophobicContact CG-CD1 4.36Å; K141-L145 WeakPolarHBondContact O-CG 3.43Å; K141-L145 PolarHBondContact O-N 3.12Å; H142-L145 PolarHBondContact O-N 3.16Å; Q143-L145 VanDerWaalsContact C-N 3.29Å; Q143-L145 PolarHBondContact O-N 3.16Å; L145-G148 PolarHBondContact O-N 3.17Å
146	K	67.1	Low	61.3	Low	174 Å²	174	127.2 Å²	127.2	76%	0.757	67%	0.665	S	S	*	*	H	α-helix	trans	-81.5	-27.2	-177.1	-160	177.2	-174.1	-174.6	0	113.5	H142 Q143 G148	H142-K146 VanDerWaalsContact O-CB 3.26Å; H142-K146 WeakPolarHBondContact O-CB 3.42Å; H142-K146 PolarHBondContact O-N 2.97Å; Q143-K146 PolarHBondContact O-N 2.86Å; K146-G148 VanDerWaalsContact C-N 3.3Å
147	S	56.2	Low	58.3	Low	94 Å²	94	127.9 Å²	127.9	66%	0.657	67%	0.668	S	S	*	*	S	Bend	trans	-86.2	0.6	169.2	-60.7	0	0	0	0	112.9	Q143 N149	Q143-S147 WeakPolarHBondContact O-CB 3.3Å; Q143-S147 PolarHBondContact O-N 3.25Å; Q143-S147 PolarHBondContact O-OG 3.15Å; S147-N149 VanDerWaalsContact C-N 3.34Å; S147-N149 PolarHBondContact O-N 3.29Å
148	G	50.3	Low	55.5	Low	59 Å²	59	128.4 Å²	128.4	61%	0.608	68%	0.681	S	S	*	*	S	Bend	trans	-84.3	19.2	-167.6	0	0	0	0	0	117.2	K144 L145 K146	K144-G148 PolarHBondContact O-N 2.88Å; L145-G148 PolarHBondContact O-N 3.17Å; K146-G148 VanDerWaalsContact C-N 3.3Å
149	N	45.1	Very low	52.5	Low	138 Å²	138	131.4 Å²	131.4	74%	0.738	70%	0.695	S	S	*	*	S	Bend	trans	-162.8	91.5	166.1	-174.2	100.8	0	0	0	111.7	S147	S147-N149 VanDerWaalsContact C-N 3.34Å; S147-N149 PolarHBondContact O-N 3.29Å
150	D	33.3	Very low	49.8	Very low	121 Å²	121	132.3 Å²	132.3	65%	0.647	71%	0.709	S	S	*	*				-167	150.4	127.4	-125.9	-60.2	0	0	0	113.3
151	Q	36.1	Very low	47.2	Very low	170 Å²	170	139.5 Å²	139.5	79%	0.794	74%	0.735	S	S	*	*			trans	49	124.3	163.3	-79.7	147.6	79.6	0	0	122.9
152	S	33.5	Very low	44.6	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	75%	0.749	S	S	*	*			trans	-80.8	157.9	140.5	64.8	0	0	0	0	109.3
153	P	42.8	Very low	42.3	Very low	133 Å²	133	139.8 Å²	139.8	86%	0.864	76%	0.759	S	S	*	*				-127.8	-173	62	20.1	3.6	0	0	0	112
154	G	29.2	Very low	40.1	Very low	65 Å²	65	141.2 Å²	141.2	67%	0.67	77%	0.766	S	S	*	*			cis	153	142.2	-4.4	0	0	0	0	0	110.8
155	D	31.8	Very low	37.8	Very low	157 Å²	157	141 Å²	141	84%	0.84	77%	0.772	S	S	*	*			trans	45.3	113.2	172.6	-63.6	-43.1	0	0	0	120.4
156	K	30.7	Very low	36.3	Very low	208 Å²	208	139.7 Å²	139.7	90%	0.904	77%	0.772	S	S	*	*				-163.5	138.5	97.3	-100.1	155.8	-169.3	173	0	113.7
157	K	29.2	Very low	34.4	Very low	177 Å²	177	139.3 Å²	139.3	77%	0.77	78%	0.778	S	S	*	*			trans	-109.3	154.3	160.3	-136	-175.5	-178.5	-174.8	0	107.9
158	P	33.4	Very low	33.1	Very low	118 Å²	118	138.4 Å²	138.4	77%	0.766	78%	0.784	S	S	*	*				-123.2	137.5	106.6	34.8	-31	0	0	0	110
159	E	26	Very low	32.7	Very low	161 Å²	161	142 Å²	142	75%	0.752	80%	0.796	S	S	*	*				71.3	99.6	57.6	-68.4	-162.5	154.1	0	0	113.9
160	M	30.8	Very low	31.8	Very low	193 Å²	193	140.4 Å²	140.4	95%	0.951	80%	0.802	S	S	*	*			trans	-138.6	147.1	136.5	-106.3	174.1	57.2	0	0	107.7
161	E	28.5	Very low	31.7	Very low	192 Å²	192	143.3 Å²	143.3	90%	0.897	81%	0.812	S	S	*	*			trans	-96.9	152.9	-166.4	-55.1	168.6	108.2	0	0	112.7
162	A	30.1	Very low	31.5	Very low	96 Å²	96	142 Å²	142	79%	0.793	82%	0.815	S	S	*	*			trans	-176.1	83.5	136.4	0	0	0	0	0	113.9
163	D	29.8	Very low	31.3	Very low	140 Å²	140	144 Å²	144	75%	0.749	82%	0.818	S	S	*	*				72.9	154.9	129.1	-147.9	17	0	0	0	123.8
164	Q	30.8	Very low	30.8	Very low	163 Å²	163	143.2 Å²	143.2	76%	0.762	82%	0.815	S	S	*	*			trans	68	99.5	162	-77	163.6	71.2	0	0	122.4
165	L	28.7	Very low	31.2	Very low	164 Å²	164	149.1 Å²	149.1	86%	0.859	83%	0.825	S	S	*	*			trans	-91.9	169	145.3	-76.2	173.7	0	0	0	109
166	P	39.9	Very low	31.7	Very low	103 Å²	103	147.6 Å²	147.6	67%	0.669	82%	0.824	S	S	*	*			cis	-151.7	179.5	30.6	44.8	-24	0	0	0	119.9
167	N	27.2	Very low	32.2	Very low	165 Å²	165	143.5 Å²	143.5	88%	0.882	82%	0.819	S	S	*	*			trans	62.5	123.4	150.4	-71.3	-9.1	0	0	0	121.8
168	G	27.1	Very low	32.9	Very low	76 Å²	76	142.3 Å²	142.3	78%	0.784	82%	0.821	S	S	*	*			trans	150.7	121.5	152.3	0	0	0	0	0	114.5
169	P	42.5	Very low	33.5	Very low	133 Å²	133	146 Å²	146	86%	0.864	83%	0.828	S	S	*	*			trans	-104.7	139.4	-178.3	37	-30.9	0	0	0	114.4
170	A	27.5	Very low	34.9	Very low	106 Å²	106	145.1 Å²	145.1	88%	0.876	83%	0.825	S	S	*	*			trans	-164.3	161.5	152.9	0	0	0	0	0	111.1
171	E	31.1	Very low	36.5	Very low	182 Å²	182	138.1 Å²	138.1	85%	0.85	80%	0.796	S	S	*	*			trans	-73.9	148.9	-176.6	-53.9	169.2	155.4	0	0	113.8
172	T	30.3	Very low	37.4	Very low	141 Å²	141	138.8 Å²	138.8	87%	0.865	79%	0.79	S	S	*	*				-178.3	167.8	121.2	22.2	0	0	0	0	113.3
173	D	31.1	Very low	39	Very low	152 Å²	152	142 Å²	142	81%	0.813	79%	0.786	S	S	*	*			trans	-63.3	150	-167.7	-52.2	-81.2	0	0	0	116.7
174	S	30.8	Very low	40.8	Very low	115 Å²	115	140.1 Å²	140.1	80%	0.804	77%	0.773	S	S	*	*				179.9	122.4	113.3	55.5	0	0	0	0	113.2
175	E	38.2	Very low	42.9	Very low	189 Å²	189	134.1 Å²	134.1	88%	0.883	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-87.2	136.6	155.6	-76.9	-167.4	133.9	0	0	110.1
176	P	43.1	Very low	44.9	Very low	126 Å²	126	133.8 Å²	133.8	82%	0.818	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-82.2	133.9	163.5	31.8	-30.7	0	0	0	110.9
177	P	40.4	Very low	46.5	Very low	122 Å²	122	135.2 Å²	135.2	79%	0.792	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-103.8	142.7	-165.4	37.3	-33.7	0	0	0	114.3
178	N	43.5	Very low	48.8	Very low	151 Å²	151	131.7 Å²	131.7	81%	0.807	72%	0.721	S	S	*	*			trans	-157.1	50.3	154	-143.3	-7.7	0	0	0	115.5
179	Q	46.7	Very low	50.8	Low	195 Å²	195	133 Å²	133	91%	0.911	71%	0.71	S	S	*	*			trans	-98.1	100.9	160.2	-74.4	-166.3	18.6	0	0	109.7	S181	Q179-S181 PolarHBondContact O-N 3.23Å
180	M	55.5	Low	52.1	Low	143 Å²	143	133.6 Å²	133.6	70%	0.704	70%	0.695	S	S	*	*			trans	-53.5	135	167.8	-134.9	76.3	-178.7	0	0	109.4	W182	M180-W182 PolarHBondContact O-N 3.2Å
181	S	63	Low	54.1	Low	47 Å²	47	134.7 Å²	134.7	33%	0.329	68%	0.679	S	S	.	*			trans	-62.1	133.3	-177.9	-172	0	0	0	0	109.9	Q179 K183 E184 G185	Q179-S181 PolarHBondContact O-N 3.23Å; S181-K183 PolarHBondContact O-N 2.85Å; S181-E184 WeakPolarHBondContact CB-OE2 3.29Å; S181-E184 PolarHBondContact N-OE2 3.27Å; S181-E184 WeakPolarHBondContact O-CB 3.43Å; S181-E184 PolarHBondContact O-N 2.83Å; S181-G185 PolarHBondContact O-N 2.9Å
182	W	48.8	Very low	55.8	Low	206 Å²	206	132.2 Å²	132.2	78%	0.78	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-16.3	175.4	-178.7	-98.8	0	0	0	112.9	M180 R186	M180-W182 PolarHBondContact O-N 3.2Å; W182-R186 WeakPolarHBondContact O-CB 3.37Å
183	K	62.9	Low	57.6	Low	163 Å²	163	128.3 Å²	128.3	71%	0.709	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-41	171.1	-64	177	-177.5	172.9	0	112.8	S181 R186 Q187	S181-K183 PolarHBondContact O-N 2.85Å; K183-R186 PolarHBondContact O-N 2.81Å; K183-Q187 PolarHBondContact O-N 3.47Å
184	E	69	Low	59.3	Low	100 Å²	100	127.1 Å²	127.1	47%	0.467	63%	0.626	S	S	.	*	H	α-helix	trans	-69.2	-49.1	-178.2	-69.5	153.7	-179.5	0	0	110.9	S181 R186 Q187 L188	S181-E184 WeakPolarHBondContact CB-OE2 3.29Å; S181-E184 PolarHBondContact N-OE2 3.27Å; S181-E184 WeakPolarHBondContact O-CB 3.43Å; S181-E184 PolarHBondContact O-N 2.83Å; E184-R186 PolarHBondContact O-N 3.38Å; E184-R186 VanDerWaalsContact O-N 3.12Å; E184-Q187 PolarHBondContact O-N 3.22Å; E184-L188 PolarHBondContact O-N 2.84Å
185	G	74.9	Confident	61	Low	38 Å²	38	127.8 Å²	127.8	39%	0.392	62%	0.617	S	S	.	*	H	α-helix	trans	-57.4	-29.9	173.8	0	0	0	0	0	112.8	S181 L189	S181-G185 PolarHBondContact O-N 2.9Å; G185-L189 VanDerWaalsContact O-CB 3.32Å; G185-L189 WeakPolarHBondContact O-CB 3.36Å; G185-L189 PolarHBondContact O-N 2.8Å
186	R	69.9	Low	62.4	Low	156 Å²	156	124.2 Å²	124.2	59%	0.589	61%	0.608	S	S	*	*	H	α-helix	trans	-80.7	-22.2	176.5	-143.3	172.6	-168.3	172.8	4.3	113.9	W182 K183 E184 R190	W182-R186 WeakPolarHBondContact O-CB 3.37Å; K183-R186 PolarHBondContact O-N 2.81Å; E184-R186 PolarHBondContact O-N 3.38Å; E184-R186 VanDerWaalsContact O-N 3.12Å; R186-R190 WeakPolarHBondContact O-CG 3.18Å; R186-R190 PolarHBondContact O-N 2.9Å
187	Q	72.2	Confident	63	Low	134 Å²	134	120.5 Å²	120.5	63%	0.626	59%	0.592	S	S	*	*	H	α-helix	trans	-79.7	-43	169.1	-75.6	175.8	-33.2	0	0	110.8	K183 E184 L189 R190 K191	K183-Q187 PolarHBondContact O-N 3.47Å; E184-Q187 PolarHBondContact O-N 3.22Å; Q187-L189 VanDerWaalsContact C-N 3.34Å; Q187-L189 PolarHBondContact O-N 3.49Å; Q187-R190 WeakPolarHBondContact O-CB 3.48Å; Q187-R190 PolarHBondContact O-N 2.89Å; Q187-R190 VanDerWaalsContact O-N 3.09Å; Q187-K191 PolarHBondContact O-N 3.16Å
188	L	75.9	Confident	64	Low	91 Å²	91	119.4 Å²	119.4	48%	0.476	57%	0.573	S	S	.	*	H	α-helix	trans	-60	-43.5	175.3	-172.2	63.9	0	0	0	111.5	E184 R190 K191 Y192	E184-L188 PolarHBondContact O-N 2.84Å; L188-R190 VanDerWaalsContact C-N 3.31Å; L188-R190 PolarHBondContact O-N 3.46Å; L188-K191 WeakPolarHBondContact O-CB 3.42Å; L188-K191 PolarHBondContact O-N 2.91Å; L188-Y192 HydrophobicContact CD1-CD2 4.47Å; L188-Y192 HydrophobicContact CD1-CE2 3.91Å; L188-Y192 HydrophobicContact CD2-CE2 4.12Å; L188-Y192 HydrophobicContact CG-CD2 4.09Å; L188-Y192 HydrophobicContact CG-CE2 3.67Å; L188-Y192 WeakPolarHBondContact O-CD2 3.41Å; L188-Y192 PolarHBondContact O-N 3.31Å
189	L	69.3	Low	65.2	Low	104 Å²	104	114.2 Å²	114.2	55%	0.545	55%	0.548	S	S	.	.	H	α-helix	trans	-62.1	-33.4	174.2	-175.9	63.6	0	0	0	113.3	G185 Q187 L193	G185-L189 VanDerWaalsContact O-CB 3.32Å; G185-L189 WeakPolarHBondContact O-CB 3.36Å; G185-L189 PolarHBondContact O-N 2.8Å; Q187-L189 VanDerWaalsContact C-N 3.34Å; Q187-L189 PolarHBondContact O-N 3.49Å; L189-L193 HydrophobicContact CG-CD1 4.3Å; L189-L193 WeakPolarHBondContact O-CB 3.22Å; L189-L193 WeakPolarHBondContact O-CD1 3.44Å; L189-L193 WeakPolarHBondContact O-CG 3.23Å; L189-L193 PolarHBondContact O-N 2.93Å; L189-L193 VanDerWaalsContact O-N 3.08Å
190	R	69.1	Low	65.7	Low	145 Å²	145	109.1 Å²	109.1	55%	0.547	53%	0.527	S	S	.	.	H	α-helix	trans	-67.8	-44	172.7	-77.2	179.9	-175.9	-135.8	6.5	111.5	R186 Q187 L188 Y192 L193 E194 D200	R186-R190 WeakPolarHBondContact O-CG 3.18Å; R186-R190 PolarHBondContact O-N 2.9Å; Q187-R190 WeakPolarHBondContact O-CB 3.48Å; Q187-R190 PolarHBondContact O-N 2.89Å; Q187-R190 VanDerWaalsContact O-N 3.09Å; L188-R190 VanDerWaalsContact C-N 3.31Å; L188-R190 PolarHBondContact O-N 3.46Å; R190-Y192 PolarHBondContact O-N 3.28Å; R190-L193 PolarHBondContact O-N 3.49Å; R190-L193 VanDerWaalsContact O-N 3.16Å; R190-E194 PolarHBondContact O-N 3.49Å; R190-D200 IonicContact NH1-OD1 3.14Å; R190-D200 IonicContact NH1-OD2 2.63Å; R190-D200 PolarHBondContact NH1-OD2 3.5Å
191	K	70.4	Confident	65.9	Low	128 Å²	128	107.1 Å²	107.1	56%	0.557	52%	0.523	S	S	*	.	H	α-helix	trans	-57.3	-49.5	177.8	-169.6	-174.2	175.4	-163.8	0	110.6	Q187 L188 L193 E194 E195	Q187-K191 PolarHBondContact O-N 3.16Å; L188-K191 WeakPolarHBondContact O-CB 3.42Å; L188-K191 PolarHBondContact O-N 2.91Å; K191-L193 VanDerWaalsContact C-N 3.35Å; K191-L193 PolarHBondContact O-N 2.79Å; K191-E194 PolarHBondContact O-N 3.19Å; K191-E195 VanDerWaalsContact O-CB 3.26Å; K191-E195 WeakPolarHBondContact O-CB 3.47Å; K191-E195 PolarHBondContact O-N 2.99Å
192	Y	67.4	Low	66	Low	131 Å²	131	108.4 Å²	108.4	51%	0.514	53%	0.525	S	S	.	.	H	α-helix	trans	-62.9	-35.7	175.8	-71.3	-50.3	0	0	0	113.8	L188 R190 E195 V196	L188-Y192 HydrophobicContact CD1-CD2 4.47Å; L188-Y192 HydrophobicContact CD1-CE2 3.91Å; L188-Y192 HydrophobicContact CD2-CE2 4.12Å; L188-Y192 HydrophobicContact CG-CD2 4.09Å; L188-Y192 HydrophobicContact CG-CE2 3.67Å; L188-Y192 WeakPolarHBondContact O-CD2 3.41Å; L188-Y192 PolarHBondContact O-N 3.31Å; R190-Y192 PolarHBondContact O-N 3.28Å; Y192-E195 WeakPolarHBondContact CD1-OE2 3.26Å; Y192-V196 WeakPolarHBondContact O-CB 3.31Å; Y192-V196 VanDerWaalsContact O-CG2 3.24Å; Y192-V196 WeakPolarHBondContact O-CG2 3.35Å; Y192-V196 PolarHBondContact O-N 3.46Å
193	L	68.5	Low	66.6	Low	59 Å²	59	101.1 Å²	101.1	31%	0.309	50%	0.501	S	S	.	.	H	α-helix	trans	-65.1	-43.5	174.6	-82	164.3	0	0	0	111.8	L189 R190 K191 V196 G197 Y198	L189-L193 HydrophobicContact CG-CD1 4.3Å; L189-L193 WeakPolarHBondContact O-CB 3.22Å; L189-L193 WeakPolarHBondContact O-CD1 3.44Å; L189-L193 WeakPolarHBondContact O-CG 3.23Å; L189-L193 PolarHBondContact O-N 2.93Å; L189-L193 VanDerWaalsContact O-N 3.08Å; R190-L193 PolarHBondContact O-N 3.49Å; R190-L193 VanDerWaalsContact O-N 3.16Å; K191-L193 VanDerWaalsContact C-N 3.35Å; K191-L193 PolarHBondContact O-N 2.79Å; L193-V196 CarbonylContact O-C 3.57Å; L193-V196 PolarHBondContact O-N 2.94Å; L193-G197 PolarHBondContact O-N 3.33Å; L193-Y198 HydrophobicContact CD2-CD2 4.3Å; L193-Y198 HydrophobicContact CD2-CG 4.45Å; L193-Y198 WeakPolarHBondContact O-CA 3.3Å; L193-Y198 WeakPolarHBondContact O-CB 3.32Å; L193-Y198 PolarHBondContact O-N 3.05Å
194	E	66.4	Low	66.6	Low	127 Å²	127	96.3 Å²	96.3	59%	0.593	48%	0.483	S	S	*	.	H	α-helix	trans	-65.5	-40.4	177.3	-173.9	161.5	-133.7	0	0	111.9	R190 K191 V196 G197	R190-E194 PolarHBondContact O-N 3.49Å; K191-E194 PolarHBondContact O-N 3.19Å; E194-V196 VanDerWaalsContact C-N 3.33Å; E194-V196 PolarHBondContact O-N 2.9Å; E194-G197 WeakPolarHBondContact O-CA 3.49Å; E194-G197 PolarHBondContact O-N 2.87Å
195	E	66.9	Low	66.2	Low	129 Å²	129	98 Å²	98	60%	0.603	49%	0.493	S	S	*	.	H	α-helix	trans	-66.1	-31.4	175.9	-163.6	160.7	-120.9	0	0	112.7	K191 Y192 G197	K191-E195 VanDerWaalsContact O-CB 3.26Å; K191-E195 WeakPolarHBondContact O-CB 3.47Å; K191-E195 PolarHBondContact O-N 2.99Å; Y192-E195 WeakPolarHBondContact CD1-OE2 3.26Å; E195-G197 PolarHBondContact O-N 3.32Å
196	V	67.2	Low	65.5	Low	114 Å²	114	103.6 Å²	103.6	69%	0.691	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	4.8	169.5	175.6	0	0	0	0	112.3	Y192 L193 E194 Y198	Y192-V196 WeakPolarHBondContact O-CB 3.31Å; Y192-V196 VanDerWaalsContact O-CG2 3.24Å; Y192-V196 WeakPolarHBondContact O-CG2 3.35Å; Y192-V196 PolarHBondContact O-N 3.46Å; L193-V196 CarbonylContact O-C 3.57Å; L193-V196 PolarHBondContact O-N 2.94Å; E194-V196 VanDerWaalsContact C-N 3.33Å; E194-V196 PolarHBondContact O-N 2.9Å; V196-Y198 HydrophobicContact CG1-CD2 4.27Å; V196-Y198 HydrophobicContact CG1-CE2 4.45Å
197	G	56.2	Low	65.3	Low	47 Å²	47	98.8 Å²	98.8	49%	0.485	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	4.7	174.2	0	0	0	0	0	115.7	L193 E194 E195 S199	L193-G197 PolarHBondContact O-N 3.33Å; E194-G197 WeakPolarHBondContact O-CA 3.49Å; E194-G197 PolarHBondContact O-N 2.87Å; E195-G197 PolarHBondContact O-N 3.32Å; G197-S199 PolarHBondContact O-N 2.69Å
198	Y	60.5	Low	64.9	Low	100 Å²	100	98 Å²	98	39%	0.392	49%	0.487	S	S	.	.			trans	-86.7	73.9	171.5	-73.7	-80.2	0	0	0	111.2	L193 V196 I202	L193-Y198 HydrophobicContact CD2-CD2 4.3Å; L193-Y198 HydrophobicContact CD2-CG 4.45Å; L193-Y198 WeakPolarHBondContact O-CA 3.3Å; L193-Y198 WeakPolarHBondContact O-CB 3.32Å; L193-Y198 PolarHBondContact O-N 3.05Å; V196-Y198 HydrophobicContact CG1-CD2 4.27Å; V196-Y198 HydrophobicContact CG1-CE2 4.45Å; Y198-I202 HydrophobicContact CD1-CG2 4.1Å
199	S	68.2	Low	64.3	Low	41 Å²	41	102.6 Å²	102.6	29%	0.287	50%	0.498	S	S	.	.			trans	-61.9	153.7	173.7	57	0	0	0	0	112.9	G197 T201 I202 L203	G197-S199 PolarHBondContact O-N 2.69Å; S199-T201 PolarHBondContact O-N 2.96Å; S199-T201 PolarHBondContact OG-OG1 2.74Å; S199-I202 WeakPolarHBondContact O-CB 3.31Å; S199-I202 PolarHBondContact O-N 3.43Å; S199-L203 PolarHBondContact O-N 3.36Å
200	D	58.4	Low	64.1	Low	88 Å²	88	101.4 Å²	101.4	47%	0.471	50%	0.495	S	S	.	.	H	α-helix	trans	-57.7	-24.8	-174.7	-111.7	-9	0	0	0	112.9	R190 L203 D204	R190-D200 IonicContact NH1-OD1 3.14Å; R190-D200 IonicContact NH1-OD2 2.63Å; R190-D200 PolarHBondContact NH1-OD2 3.5Å; D200-L203 PolarHBondContact O-N 2.96Å; D200-D204 WeakPolarHBondContact O-CB 3.38Å; D200-D204 PolarHBondContact O-N 3.29Å
201	T	59.6	Low	64	Low	102 Å²	102	101.2 Å²	101.2	63%	0.626	49%	0.494	S	S	*	.	H	α-helix	trans	-67.8	-35.4	173.9	54.1	0	0	0	0	113	S199 M205	S199-T201 PolarHBondContact O-N 2.96Å; S199-T201 PolarHBondContact OG-OG1 2.74Å; T201-M205 WeakPolarHBondContact O-CB 3.45Å; T201-M205 WeakPolarHBondContact O-CG 3.11Å; T201-M205 PolarHBondContact O-N 3.23Å
202	I	63.4	Low	63.6	Low	73 Å²	73	99.8 Å²	99.8	37%	0.374	50%	0.501	S	S	.	.	H	α-helix	trans	-70.8	-40.3	174.8	-62.3	174.2	0	0	0	109.9	Y198 S199 R206	Y198-I202 HydrophobicContact CD1-CG2 4.1Å; S199-I202 WeakPolarHBondContact O-CB 3.31Å; S199-I202 PolarHBondContact O-N 3.43Å; I202-R206 WeakPolarHBondContact O-CB 3.32Å; I202-R206 PolarHBondContact O-N 2.88Å
203	L	63.3	Low	63.2	Low	53 Å²	53	100 Å²	100	28%	0.277	51%	0.51	S	S	.	.	H	α-helix	trans	-66.4	-43.5	177.2	-69.3	174.5	0	0	0	112.2	S199 D200 R206 S207	S199-L203 PolarHBondContact O-N 3.36Å; D200-L203 PolarHBondContact O-N 2.96Å; L203-R206 PolarHBondContact O-N 3.04Å; L203-S207 VanDerWaalsContact O-CB 3.29Å; L203-S207 WeakPolarHBondContact O-CB 3.46Å; L203-S207 PolarHBondContact O-N 3.32Å; L203-S207 PolarHBondContact O-OG 2.7Å
204	D	61.8	Low	62.9	Low	62 Å²	62	103 Å²	103	33%	0.332	53%	0.526	S	S	.	.	H	α-helix	trans	-71.7	-36.4	175.8	-177.7	44.8	0	0	0	112.3	D200 R206 S207 K208 R211	D200-D204 WeakPolarHBondContact O-CB 3.38Å; D200-D204 PolarHBondContact O-N 3.29Å; D204-R206 PolarHBondContact O-N 3.18Å; D204-S207 CarbonylContact O-C 3.57Å; D204-S207 PolarHBondContact O-N 3.25Å; D204-S207 VanDerWaalsContact O-N 3.17Å; D204-K208 WeakPolarHBondContact O-CB 3.19Å; D204-K208 WeakPolarHBondContact O-CG 3.35Å; D204-K208 PolarHBondContact O-N 2.67Å; D204-K208 WeakPolarHBondContact OD1-CE 3.34Å; D204-K208 IonicContact OD1-NZ 3.89Å; D204-K208 WeakPolarHBondContact OD2-CE 3.2Å; D204-K208 IonicContact OD2-NZ 3.89Å; D204-K208 PolarHBondContact OD2-NZ 3.43Å; D204-R211 IonicContact OD1-NH2 3.78Å
205	M	60.8	Low	62.1	Low	136 Å²	136	100 Å²	100	67%	0.67	53%	0.528	S	S	*	.	H	α-helix	trans	-60.1	-44.9	170.7	-79.4	-77.7	-87	0	0	111.9	T201 R209	T201-M205 WeakPolarHBondContact O-CB 3.45Å; T201-M205 WeakPolarHBondContact O-CG 3.11Å; T201-M205 PolarHBondContact O-N 3.23Å; M205-R209 VanDerWaalsContact O-CB 3.3Å; M205-R209 WeakPolarHBondContact O-CB 3.44Å; M205-R209 PolarHBondContact O-N 2.93Å
206	R	59.3	Low	61.2	Low	156 Å²	156	104.2 Å²	104.2	59%	0.589	54%	0.538	S	S	*	.	H	α-helix	trans	-61.8	-44.1	171	-100	-179.4	160.9	169.4	-4.7	111.5	I202 L203 D204 K208 R209 V210	I202-R206 WeakPolarHBondContact O-CB 3.32Å; I202-R206 PolarHBondContact O-N 2.88Å; L203-R206 PolarHBondContact O-N 3.04Å; D204-R206 PolarHBondContact O-N 3.18Å; R206-K208 VanDerWaalsContact C-N 3.34Å; R206-K208 PolarHBondContact O-N 3.04Å; R206-R209 PolarHBondContact O-N 3.19Å; R206-V210 WeakPolarHBondContact O-CB 3.33Å; R206-V210 VanDerWaalsContact O-CG2 3.3Å; R206-V210 WeakPolarHBondContact O-CG2 3.33Å; R206-V210 PolarHBondContact O-N 2.88Å
207	S	67.3	Low	59.9	Low	55 Å²	55	104.3 Å²	104.3	39%	0.385	54%	0.544	S	S	.	.	H	α-helix	trans	-66.7	-32.6	-178.8	-60.2	0	0	0	0	113.2	L203 D204 R211	L203-S207 VanDerWaalsContact O-CB 3.29Å; L203-S207 WeakPolarHBondContact O-CB 3.46Å; L203-S207 PolarHBondContact O-N 3.32Å; L203-S207 PolarHBondContact O-OG 2.7Å; D204-S207 CarbonylContact O-C 3.57Å; D204-S207 PolarHBondContact O-N 3.25Å; D204-S207 VanDerWaalsContact O-N 3.17Å; S207-R211 WeakPolarHBondContact O-CB 3.45Å; S207-R211 VanDerWaalsContact O-CG 3.32Å; S207-R211 WeakPolarHBondContact O-CG 3.43Å; S207-R211 PolarHBondContact O-N 3.15Å; S207-R211 PolarHBondContact O-NE 3.17Å
208	K	63.5	Low	58.9	Low	116 Å²	116	107.6 Å²	107.6	50%	0.504	56%	0.56	S	S	.	*	H	α-helix	trans	-71.5	-45.9	170.8	-76.2	165.8	172.6	165.3	0	111	D204 R206 V210 R211 S212	D204-K208 WeakPolarHBondContact O-CB 3.19Å; D204-K208 WeakPolarHBondContact O-CG 3.35Å; D204-K208 PolarHBondContact O-N 2.67Å; D204-K208 WeakPolarHBondContact OD1-CE 3.34Å; D204-K208 IonicContact OD1-NZ 3.89Å; D204-K208 WeakPolarHBondContact OD2-CE 3.2Å; D204-K208 IonicContact OD2-NZ 3.89Å; D204-K208 PolarHBondContact OD2-NZ 3.43Å; R206-K208 VanDerWaalsContact C-N 3.34Å; R206-K208 PolarHBondContact O-N 3.04Å; K208-V210 PolarHBondContact O-N 3.18Å; K208-R211 PolarHBondContact O-N 2.75Å; K208-S212 WeakPolarHBondContact O-CB 3.34Å; K208-S212 PolarHBondContact O-N 2.71Å
209	R	63.7	Low	58.3	Low	189 Å²	189	108.2 Å²	108.2	71%	0.713	58%	0.576	S	S	*	*	H	α-helix	trans	-63.6	-39.2	178.2	-162.6	171.8	-171	165.5	1.9	112.6	M205 R206 S212 L213	M205-R209 VanDerWaalsContact O-CB 3.3Å; M205-R209 WeakPolarHBondContact O-CB 3.44Å; M205-R209 PolarHBondContact O-N 2.93Å; R206-R209 PolarHBondContact O-N 3.19Å; R209-S212 PolarHBondContact O-N 3.36Å; R209-L213 HydrophobicContact CG-CD1 4.25Å; R209-L213 WeakPolarHBondContact O-CB 3.39Å; R209-L213 WeakPolarHBondContact O-CG 3.18Å; R209-L213 PolarHBondContact O-N 3.16Å
210	V	64	Low	56.5	Low	79 Å²	79	116 Å²	116	48%	0.479	61%	0.608	S	S	.	*	H	α-helix	trans	-68.7	-43.6	175.3	168.8	0	0	0	0	111.6	R206 K208 S212 L213 L214	R206-V210 WeakPolarHBondContact O-CB 3.33Å; R206-V210 VanDerWaalsContact O-CG2 3.3Å; R206-V210 WeakPolarHBondContact O-CG2 3.33Å; R206-V210 PolarHBondContact O-N 2.88Å; K208-V210 PolarHBondContact O-N 3.18Å; V210-S212 VanDerWaalsContact C-N 3.29Å; V210-S212 PolarHBondContact O-N 2.73Å; V210-L213 PolarHBondContact O-N 3.19Å; V210-L214 HydrophobicContact CG1-CD1 3.72Å; V210-L214 HydrophobicContact CG1-CG 4.43Å; V210-L214 WeakPolarHBondContact O-CB 3.31Å; V210-L214 WeakPolarHBondContact O-CG 3.23Å; V210-L214 PolarHBondContact O-N 2.68Å
211	R	66.5	Low	55.3	Low	140 Å²	140	116 Å²	116	53%	0.528	62%	0.621	S	S	.	*	H	α-helix	trans	-60.7	-38.6	172.5	-78.3	177.6	-75.9	-176	-2.4	112.2	D204 S207 K208 G215	D204-R211 IonicContact OD1-NH2 3.78Å; S207-R211 WeakPolarHBondContact O-CB 3.45Å; S207-R211 VanDerWaalsContact O-CG 3.32Å; S207-R211 WeakPolarHBondContact O-CG 3.43Å; S207-R211 PolarHBondContact O-N 3.15Å; S207-R211 PolarHBondContact O-NE 3.17Å; K208-R211 PolarHBondContact O-N 2.75Å; R211-G215 PolarHBondContact O-N 2.85Å
212	S	61.9	Low	53.9	Low	99 Å²	99	119.3 Å²	119.3	69%	0.692	63%	0.634	S	S	*	*	H	α-helix	trans	-69.2	-32.8	174.9	-171.4	0	0	0	0	113.8	K208 R209 V210	K208-S212 WeakPolarHBondContact O-CB 3.34Å; K208-S212 PolarHBondContact O-N 2.71Å; R209-S212 PolarHBondContact O-N 3.36Å; V210-S212 VanDerWaalsContact C-N 3.29Å; V210-S212 PolarHBondContact O-N 2.73Å
213	L	60.6	Low	52.2	Low	136 Å²	136	119.3 Å²	119.3	71%	0.712	65%	0.652	S	S	*	*	H	α-helix	trans	-77.8	-30.5	177	-83.5	162.1	0	0	0	112.8	R209 V210 G215	R209-L213 HydrophobicContact CG-CD1 4.25Å; R209-L213 WeakPolarHBondContact O-CB 3.39Å; R209-L213 WeakPolarHBondContact O-CG 3.18Å; R209-L213 PolarHBondContact O-N 3.16Å; V210-L213 PolarHBondContact O-N 3.19Å; L213-G215 VanDerWaalsContact C-N 3.31Å
214	L	61.2	Low	50.9	Low	122 Å²	122	123 Å²	123	64%	0.639	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	2.8	178.5	-70.2	170.5	0	0	0	113.8	V210 R216	V210-L214 HydrophobicContact CG1-CD1 3.72Å; V210-L214 HydrophobicContact CG1-CG 4.43Å; V210-L214 WeakPolarHBondContact O-CB 3.31Å; V210-L214 WeakPolarHBondContact O-CG 3.23Å; V210-L214 PolarHBondContact O-N 2.68Å; L214-R216 PolarHBondContact O-N 3.13Å
215	G	49.5	Very low	49.6	Very low	62 Å²	62	125.8 Å²	125.8	64%	0.639	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.7	8.6	177.1	0	0	0	0	0	115.6	R211 L213 S217	R211-G215 PolarHBondContact O-N 2.85Å; L213-G215 VanDerWaalsContact C-N 3.31Å; G215-S217 PolarHBondContact O-N 3.08Å; G215-S217 VanDerWaalsContact O-N 3.13Å
216	R	48.3	Very low	47.9	Very low	218 Å²	218	125 Å²	125	82%	0.823	71%	0.709	S	S	*	*			trans	-89.9	73.6	-172.3	-79.2	-175.4	170.1	-159.6	-3.6	112.2	L214	L214-R216 PolarHBondContact O-N 3.13Å
217	S	40.4	Very low	46.5	Very low	117 Å²	117	122.3 Å²	122.3	82%	0.818	71%	0.714	S	S	*	*			trans	-98.5	104.5	158.6	55.4	0	0	0	0	109.8	G215	G215-S217 PolarHBondContact O-N 3.08Å; G215-S217 VanDerWaalsContact O-N 3.13Å
218	S	34.6	Very low	44.7	Very low	116 Å²	116	127.5 Å²	127.5	81%	0.811	74%	0.737	S	S	*	*			trans	-147.9	142.3	167.2	-161.6	0	0	0	0	109
219	P	47.5	Very low	43	Very low	112 Å²	112	125.8 Å²	125.8	73%	0.727	75%	0.752	S	S	*	*			trans	-98.9	155.6	-166.2	37.5	-34.6	0	0	0	113.8
220	E	31.4	Very low	41	Very low	204 Å²	204	122 Å²	122	95%	0.953	75%	0.754	S	S	*	*			trans	-120.6	135.9	145.6	-75.9	-171.1	116.5	0	0	108.3
221	A	32.4	Very low	39.5	Very low	90 Å²	90	124.2 Å²	124.2	74%	0.744	77%	0.77	S	S	*	*			trans	-123.5	141.6	-177.1	0	0	0	0	0	110.1
222	N	30.6	Very low	37.5	Very low	171 Å²	171	125.6 Å²	125.6	91%	0.914	78%	0.782	S	S	*	*			trans	-112	131.1	156.3	-80.5	-66.6	0	0	0	107.2
223	G	27.1	Very low	36.5	Very low	72 Å²	72	126.1 Å²	126.1	74%	0.742	78%	0.783	S	S	*	*			trans	-80.1	-157.1	-168.5	0	0	0	0	0	114.9
224	P	35.9	Very low	34.9	Very low	130 Å²	130	128 Å²	128	84%	0.844	79%	0.789	S	S	*	*			cis	-108	176.8	21.7	40	-34.2	0	0	0	115.5
225	P	34.5	Very low	33.7	Very low	121 Å²	121	126.7 Å²	126.7	79%	0.786	79%	0.787	S	S	*	*			trans	-116.9	160.6	-162.1	41.4	-32.8	0	0	0	117.2
226	S	26.2	Very low	32.6	Very low	121 Å²	121	135.5 Å²	135.5	85%	0.846	80%	0.801	S	S	*	*			trans	179.9	149.4	146.6	18.2	0	0	0	0	108.8
227	S	29	Very low	31.7	Very low	99 Å²	99	130 Å²	130	69%	0.692	80%	0.802	S	S	*	*			cis	-155	152.3	-2.9	48	0	0	0	0	111.5
228	D	30.5	Very low	31.3	Very low	163 Å²	163	129.4 Å²	129.4	87%	0.872	80%	0.804	S	S	*	*			trans	59.6	123.1	154.2	-55.6	-19.9	0	0	0	123
229	G	27.9	Very low	31.2	Very low	80 Å²	80	127.6 Å²	127.6	83%	0.825	80%	0.804	S	S	*	*				105.8	69.3	109	0	0	0	0	0	119.4
230	C	21.5	Very low	30.8	Very low	111 Å²	111	130.1 Å²	130.1	75%	0.75	81%	0.811	S	S	*	*			trans	-75.2	158.1	163.9	-153.8	0	0	0	0	111.4
231	P	31.2	Very low	31.6	Very low	124 Å²	124	124.4 Å²	124.4	81%	0.805	79%	0.794	S	S	*	*				-142.1	153.1	94.5	36.7	-21.9	0	0	0	117.1
232	E	24.6	Very low	32.5	Very low	170 Å²	170	126.8 Å²	126.8	79%	0.794	79%	0.794	S	S	*	*			trans	-73.5	179.7	166.6	-98.9	-171	110.3	0	0	113.5
233	P	42.1	Very low	33.4	Very low	110 Å²	110	124.4 Å²	124.4	71%	0.714	78%	0.78	S	S	*	*			cis	-116.9	-154.8	1.3	29.4	-6	0	0	0	111.4
234	E	25.6	Very low	34.5	Very low	176 Å²	176	125.2 Å²	125.2	82%	0.822	77%	0.77	S	S	*	*			cis	-149.3	177.8	13.1	-126.1	-136.5	118.2	0	0	110
235	P	37.8	Very low	35.4	Very low	93 Å²	93	127.6 Å²	127.6	60%	0.604	76%	0.763	S	S	*	*			trans	-97.7	157.1	-153.1	38	-37.9	0	0	0	117.1
236	R	25.9	Very low	36.2	Very low	248 Å²	248	127.9 Å²	127.9	94%	0.936	75%	0.753	S	S	*	*			trans	-171.9	149.2	136.5	-105	154.7	-167.7	-159.4	2.8	115
237	A	29.4	Very low	37.7	Very low	103 Å²	103	127.1 Å²	127.1	85%	0.851	74%	0.739	S	S	*	*			trans	54.5	101.4	155.4	0	0	0	0	0	119.8
238	A	30.9	Very low	38.8	Very low	103 Å²	103	128 Å²	128	85%	0.851	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-92.5	139.4	151.3	0	0	0	0	0	109.6
239	G	33.4	Very low	39.9	Very low	79 Å²	79	127 Å²	127	81%	0.814	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-94	138.8	-175.2	0	0	0	0	0	114.1
240	N	38.2	Very low	40.7	Very low	164 Å²	164	129.9 Å²	129.9	88%	0.877	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-80.1	135.9	175.5	-68.8	-12.7	0	0	0	111.6
241	S	49.4	Very low	42.3	Very low	84 Å²	84	130 Å²	130	59%	0.587	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-74.2	136.3	177.6	-175.9	0	0	0	0	112.4	L243 V244	S241-L243 PolarHBondContact O-N 3.38Å; S241-L243 VanDerWaalsContact O-N 3.14Å; S241-V244 PolarHBondContact O-N 3.04Å
242	L	50.7	Low	43.1	Very low	141 Å²	141	132.7 Å²	132.7	74%	0.738	71%	0.705	S	S	*	*	H	α-helix	trans	-59.4	-26	-173.3	-87	160.1	0	0	0	114.9	V244 R245 Q246	L242-V244 VanDerWaalsContact C-N 3.26Å; L242-V244 PolarHBondContact O-N 3Å; L242-R245 PolarHBondContact O-N 3Å; L242-Q246 PolarHBondContact O-N 3.33Å
243	L	48.8	Very low	44.2	Very low	121 Å²	121	133.1 Å²	133.1	63%	0.634	70%	0.704	S	S	*	*	H	α-helix	trans	-62.7	-28.3	-177.6	-74.4	166.6	0	0	0	113.8	S241 I247	S241-L243 PolarHBondContact O-N 3.38Å; S241-L243 VanDerWaalsContact O-N 3.14Å; L243-I247 WeakPolarHBondContact O-CG1 3.44Å; L243-I247 PolarHBondContact O-N 3.01Å
244	V	51.5	Low	44.3	Very low	88 Å²	88	134.8 Å²	134.8	53%	0.533	71%	0.707	S	S	.	*	H	α-helix	trans	-68.9	-48.3	179.7	-179.5	0	0	0	0	110.6	S241 L242 Q246 I247 E248	S241-V244 PolarHBondContact O-N 3.04Å; L242-V244 VanDerWaalsContact C-N 3.26Å; L242-V244 PolarHBondContact O-N 3Å; V244-Q246 VanDerWaalsContact C-N 3.31Å; V244-Q246 PolarHBondContact O-N 3.3Å; V244-I247 PolarHBondContact O-N 3.48Å; V244-E248 WeakPolarHBondContact O-CG 3.44Å; V244-E248 PolarHBondContact O-N 2.8Å; V244-E248 VanDerWaalsContact O-N 3.07Å
245	R	54.3	Low	45.1	Very low	181 Å²	181	130.7 Å²	130.7	68%	0.683	70%	0.704	S	S	*	*	H	α-helix	trans	-60.7	-38.4	179.7	-83.2	-176.5	163.1	175.2	-5.8	113	L242 I247 E248 E249	L242-R245 PolarHBondContact O-N 3Å; R245-I247 VanDerWaalsContact C-N 3.29Å; R245-I247 PolarHBondContact O-N 2.89Å; R245-E248 PolarHBondContact O-N 3.3Å; R245-E249 PolarHBondContact O-N 2.83Å
246	Q	51.8	Low	45.2	Very low	126 Å²	126	129.2 Å²	129.2	59%	0.589	71%	0.705	S	S	*	*	H	α-helix	trans	-70	-28.2	-178.7	-164	167.6	-1.8	0	0	112.4	L242 V244 Q250	L242-Q246 PolarHBondContact O-N 3.33Å; V244-Q246 VanDerWaalsContact C-N 3.31Å; V244-Q246 PolarHBondContact O-N 3.3Å; Q246-Q250 PolarHBondContact O-N 2.91Å
247	I	57.6	Low	45.6	Very low	106 Å²	106	127.1 Å²	127.1	54%	0.544	70%	0.703	S	S	.	*	H	α-helix	trans	-75.1	-41.1	172	-65.6	167.9	0	0	0	110.6	L243 V244 R245 Q250 I251	L243-I247 WeakPolarHBondContact O-CG1 3.44Å; L243-I247 PolarHBondContact O-N 3.01Å; V244-I247 PolarHBondContact O-N 3.48Å; R245-I247 VanDerWaalsContact C-N 3.29Å; R245-I247 PolarHBondContact O-N 2.89Å; I247-Q250 PolarHBondContact O-N 3.24Å; I247-I251 HydrophobicContact CG2-CD1 3.93Å; I247-I251 WeakPolarHBondContact O-CG1 3.29Å; I247-I251 PolarHBondContact O-N 2.76Å; I247-I251 VanDerWaalsContact O-N 3.16Å
248	E	50.8	Low	45.7	Very low	116 Å²	116	131.4 Å²	131.4	54%	0.542	71%	0.705	S	S	.	*	H	α-helix	trans	-60.5	-44.1	175.4	-69.4	174.4	152.2	0	0	112.4	V244 R245 Q250 I251 K252	V244-E248 WeakPolarHBondContact O-CG 3.44Å; V244-E248 PolarHBondContact O-N 2.8Å; V244-E248 VanDerWaalsContact O-N 3.07Å; R245-E248 PolarHBondContact O-N 3.3Å; E248-Q250 PolarHBondContact O-N 2.87Å; E248-I251 PolarHBondContact O-N 2.75Å; E248-K252 WeakPolarHBondContact O-CB 3.28Å; E248-K252 PolarHBondContact O-N 3.43Å; E248-K252 VanDerWaalsContact O-N 3.08Å
249	E	53.9	Low	45.6	Very low	144 Å²	144	131.4 Å²	131.4	67%	0.673	70%	0.699	S	S	*	*	H	α-helix	trans	-65.4	-36.3	176.8	-74.5	-168.6	143.7	0	0	113	R245 K253	R245-E249 PolarHBondContact O-N 2.83Å; E249-K253 PolarHBondContact O-N 3.45Å
250	Q	44.6	Very low	45.3	Very low	139 Å²	139	132.9 Å²	132.9	65%	0.65	70%	0.697	S	S	*	*	H	α-helix	trans	-65.4	-45.2	178.4	-154.9	85.9	4.3	0	0	111.3	Q246 I247 E248 K253	Q246-Q250 PolarHBondContact O-N 2.91Å; I247-Q250 PolarHBondContact O-N 3.24Å; E248-Q250 PolarHBondContact O-N 2.87Å; Q250-K253 PolarHBondContact O-N 3.42Å
251	I	55.6	Low	44.9	Very low	113 Å²	113	133.1 Å²	133.1	58%	0.579	69%	0.69	S	S	*	*	H	α-helix	trans	-65.3	-43.1	179.1	-67	167.1	0	0	0	110.6	I247 E248 K253 N254 A255	I247-I251 HydrophobicContact CG2-CD1 3.93Å; I247-I251 WeakPolarHBondContact O-CG1 3.29Å; I247-I251 PolarHBondContact O-N 2.76Å; I247-I251 VanDerWaalsContact O-N 3.16Å; E248-I251 PolarHBondContact O-N 2.75Å; I251-K253 PolarHBondContact O-N 3.14Å; I251-K253 VanDerWaalsContact O-N 3.1Å; I251-N254 PolarHBondContact O-N 2.87Å; I251-A255 PolarHBondContact O-N 3.39Å
252	K	48.9	Very low	43.8	Very low	182 Å²	182	136.5 Å²	136.5	79%	0.791	70%	0.697	S	S	*	*	H	α-helix	trans	-66.7	-12	-178.1	-155.9	169	-168.9	173	0	114	E248	E248-K252 WeakPolarHBondContact O-CB 3.28Å; E248-K252 PolarHBondContact O-N 3.43Å; E248-K252 VanDerWaalsContact O-N 3.08Å
253	K	46.8	Very low	42.5	Very low	178 Å²	178	134.6 Å²	134.6	77%	0.774	70%	0.695	S	S	*	*	H	α-helix	trans	-91.1	-22.9	179.3	-144	171.1	-171.2	174.7	0	114.1	E249 Q250 I251	E249-K253 PolarHBondContact O-N 3.45Å; Q250-K253 PolarHBondContact O-N 3.42Å; I251-K253 PolarHBondContact O-N 3.14Å; I251-K253 VanDerWaalsContact O-N 3.1Å
254	N	44.1	Very low	41.4	Very low	146 Å²	146	134.6 Å²	134.6	78%	0.781	70%	0.7	S	S	*	*	H	α-helix	trans	-100.2	-24.2	-179.3	-70.8	11.9	0	0	0	113	I251 G256	I251-N254 PolarHBondContact O-N 2.87Å; N254-G256 PolarHBondContact O-N 2.8Å
255	A	42.9	Very low	40.4	Very low	90 Å²	90	134.3 Å²	134.3	74%	0.744	72%	0.715	S	S	*	*	S	Bend	trans	-82	35.3	-176.5	0	0	0	0	0	114.4	I251	I251-A255 PolarHBondContact O-N 3.39Å
256	G	40.1	Very low	39	Very low	62 Å²	62	130.6 Å²	130.6	64%	0.639	72%	0.716	S	S	*	*			trans	-145.4	30.3	-159.8	0	0	0	0	0	117.5	N254	N254-G256 PolarHBondContact O-N 2.8Å
257	K	34.3	Very low	38.1	Very low	203 Å²	203	130 Å²	130	88%	0.883	73%	0.726	S	S	*	*			trans	-159.1	58.4	171	-132.1	179	-175.1	-169.9	0	118.6
258	E	31.5	Very low	36.6	Very low	194 Å²	194	131.4 Å²	131.4	91%	0.907	74%	0.739	S	S	*	*			trans	-135.3	151.8	148.2	-66.4	-167.3	175.6	0	0	107.3
259	S	28	Very low	35.7	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	76%	0.755	S	S	*	*			cis	-149.2	-170.4	16	61.5	0	0	0	0	111.9
260	S	28.2	Very low	34.5	Very low	109 Å²	109	132.6 Å²	132.6	76%	0.762	75%	0.753	S	S	*	*			trans	74	142.9	166.7	81.2	0	0	0	0	117.5
261	K	29.7	Very low	33.7	Very low	170 Å²	170	135 Å²	135	74%	0.739	76%	0.761	S	S	*	*			cis	-167.7	165.2	-26.8	-136.4	174.3	162.9	-130.8	0	108.9
262	E	25	Very low	32.6	Very low	155 Å²	155	135 Å²	135	72%	0.724	76%	0.761	S	S	*	*			trans	65.2	154.2	158.7	-81.7	151.2	-135.5	0	0	117.6
263	S	23.4	Very low	31.9	Very low	101 Å²	101	132.2 Å²	132.2	71%	0.706	76%	0.762	S	S	*	*			cis	-158	179.7	-9.2	58.8	0	0	0	0	111.1
264	V	26.5	Very low	31	Very low	121 Å²	121	131.5 Å²	131.5	73%	0.733	76%	0.759	S	S	*	*			trans	55.7	112.6	160.7	-177.5	0	0	0	0	117.9
265	G	30	Very low	30.4	Very low	82 Å²	82	131.6 Å²	131.6	85%	0.845	76%	0.759	S	S	*	*			trans	-97.1	135.7	147.5	0	0	0	0	0	110.2
266	S	25.6	Very low	30.1	Very low	103 Å²	103	133.2 Å²	133.2	72%	0.72	76%	0.762	S	S	*	*			trans	-146.5	118	168.5	63	0	0	0	0	110.8
267	S	33.4	Very low	29.5	Very low	112 Å²	112	133.3 Å²	133.3	78%	0.783	76%	0.762	S	S	*	*			trans	18.5	124.9	159.7	-164.3	0	0	0	0	119.6
268	V	25	Very low	29.2	Very low	136 Å²	136	128.6 Å²	128.6	82%	0.824	75%	0.754	S	S	*	*				-152.2	118.8	100.2	171	0	0	0	0	109.4
269	L	32.6	Very low	28.9	Very low	167 Å²	167	127 Å²	127	87%	0.874	75%	0.746	S	S	*	*			trans	-102.8	123.2	147.5	-102.6	168.8	0	0	0	106.3
270	D	28.4	Very low	28.9	Very low	118 Å²	118	128.5 Å²	128.5	63%	0.631	75%	0.747	S	S	*	*			trans	-171.8	162.5	139.7	-135.3	-29.6	0	0	0	114.3	I272	D270-I272 WeakPolarHBondContact OD1-CD1 3.46Å
271	K	26.8	Very low	29	Very low	189 Å²	189	130.2 Å²	130.2	82%	0.822	75%	0.747	S	S	*	*			trans	80.1	87.4	174	-56.6	177.5	-175	177.8	0	116
272	I	33.2	Very low	29.1	Very low	114 Å²	114	128.8 Å²	128.8	59%	0.585	75%	0.747	S	S	*	*				66.7	125.5	51.8	-51.5	177	0	0	0	110.8	D270 F274	D270-I272 WeakPolarHBondContact OD1-CD1 3.46Å; I272-F274 HydrophobicContact CG2-CD2 3.28Å; I272-F274 HydrophobicContact CG2-CE2 3.69Å; I272-F274 HydrophobicContact CG2-CG 4.23Å
273	P	35.1	Very low	29.6	Very low	123 Å²	123	129 Å²	129	80%	0.799	75%	0.749	S	S	*	*			cis	-124.7	155.2	44.1	29.6	-9.2	0	0	0	116.3
274	F	26.6	Very low	30.1	Very low	163 Å²	163	132.1 Å²	132.1	72%	0.715	75%	0.752	S	S	*	*			cis	91.1	108.4	44	-92	-48.4	0	0	0	116.1	I272	I272-F274 HydrophobicContact CG2-CD2 3.28Å; I272-F274 HydrophobicContact CG2-CE2 3.69Å; I272-F274 HydrophobicContact CG2-CG 4.23Å
275	L	32.4	Very low	30.3	Very low	149 Å²	149	134.5 Å²	134.5	78%	0.78	76%	0.761	S	S	*	*			trans	44.5	159.3	138.4	-68.9	174.3	0	0	0	121.4
276	P	36.4	Very low	30.5	Very low	124 Å²	124	135 Å²	135	81%	0.805	75%	0.751	S	S	*	*			cis	-118.5	-170.5	17.2	40.6	-24.5	0	0	0	113.4
277	G	28.1	Very low	31	Very low	63 Å²	63	138 Å²	138	65%	0.649	76%	0.759	S	S	*	*			cis	124.4	116.1	-3.7	0	0	0	0	0	113.8
278	C	27.3	Very low	31.1	Very low	105 Å²	105	140.8 Å²	140.8	71%	0.709	76%	0.76	S	S	*	*			trans	-158	144.1	164.1	-86.2	0	0	0	0	104.7
279	E	26.3	Very low	31.6	Very low	159 Å²	159	143.8 Å²	143.8	74%	0.743	77%	0.765	S	S	*	*				62.8	136.1	54	-53.3	163.1	154.9	0	0	111.2
280	D	27.9	Very low	31.7	Very low	136 Å²	136	142.4 Å²	142.4	73%	0.727	76%	0.758	S	S	*	*			cis	-167.1	-173.9	-26.8	-98.3	-26.2	0	0	0	104.6
281	D	29.8	Very low	31.8	Very low	144 Å²	144	141.6 Å²	141.6	77%	0.77	75%	0.754	S	S	*	*			trans	66.3	155.7	162.5	-55.8	-10.4	0	0	0	117.6
282	D	31.9	Very low	31.8	Very low	140 Å²	140	142.2 Å²	142.2	75%	0.749	76%	0.757	S	S	*	*			cis	-167.4	179.2	-38.6	-121.3	-17.2	0	0	0	109
283	E	34.2	Very low	31.6	Very low	160 Å²	160	144.3 Å²	144.3	75%	0.748	76%	0.764	S	S	*	*			trans	66.9	120.4	163.5	-48.8	-145.4	140.5	0	0	118.1
284	E	34	Very low	31.3	Very low	166 Å²	166	141.3 Å²	141.3	78%	0.776	76%	0.755	S	S	*	*				74.3	119.4	99.4	-62.9	-157.4	159.5	0	0	116.1
285	D	32.3	Very low	31.2	Very low	172 Å²	172	142.5 Å²	142.5	92%	0.92	77%	0.765	S	S	*	*			trans	-150.9	98.8	138.1	-117.4	-17.9	0	0	0	107
286	S	33.1	Very low	31.1	Very low	93 Å²	93	141 Å²	141	65%	0.65	76%	0.763	S	S	*	*			trans	-104.1	125.8	173	174.3	0	0	0	0	108.3
287	D	35.7	Very low	30.8	Very low	164 Å²	164	140.9 Å²	140.9	88%	0.877	76%	0.76	S	S	*	*			trans	-130.6	116.5	166.7	-105	-27.7	0	0	0	109.5
288	E	35.5	Very low	30.7	Very low	171 Å²	171	144.9 Å²	144.9	80%	0.799	77%	0.766	S	S	*	*			trans	-90.8	136.6	173.4	-58	176.7	138.2	0	0	109.2
289	E	35.9	Very low	30.8	Very low	199 Å²	199	144.7 Å²	144.7	93%	0.93	77%	0.765	S	S	*	*			trans	-129	111	162.3	-88.5	-77.5	175	0	0	107.4
290	D	34.2	Very low	30.9	Very low	138 Å²	138	144 Å²	144	74%	0.738	77%	0.765	S	S	*	*			trans	-112.7	157.3	-163.7	-162.8	13.9	0	0	0	112.5
291	D	31.8	Very low	30.8	Very low	101 Å²	101	145.3 Å²	145.3	54%	0.54	77%	0.772	S	S	.	*			trans	55.4	121.4	157.5	-125.4	3.8	0	0	0	121.5	Q293	D291-Q293 VanDerWaalsContact OD1-CD 3.3Å; D291-Q293 VanDerWaalsContact OD1-CG 3.26Å; D291-Q293 WeakPolarHBondContact OD1-CG 3.24Å; D291-Q293 PolarHBondContact OD1-NE2 3.07Å
292	F	25.7	Very low	30.4	Very low	203 Å²	203	141.7 Å²	141.7	89%	0.89	77%	0.769	S	S	*	*			trans	-142.5	110.4	143.7	-156.7	-86.8	0	0	0	111.5
293	Q	29.8	Very low	30.9	Very low	158 Å²	158	140.3 Å²	140.3	74%	0.738	77%	0.767	S	S	*	*			trans	-126.9	155.5	-175.2	-69	-177.8	40.4	0	0	113.4	D291	D291-Q293 VanDerWaalsContact OD1-CD 3.3Å; D291-Q293 VanDerWaalsContact OD1-CG 3.26Å; D291-Q293 WeakPolarHBondContact OD1-CG 3.24Å; D291-Q293 PolarHBondContact OD1-NE2 3.07Å
294	G	27.9	Very low	30.7	Very low	59 Å²	59	143 Å²	143	61%	0.608	77%	0.77	S	S	*	*			trans	108.4	143.1	177.9	0	0	0	0	0	113.4
295	M	26.1	Very low	30.3	Very low	188 Å²	188	142.6 Å²	142.6	93%	0.926	77%	0.766	S	S	*	*			cis	-147.8	168.3	10.5	-139.3	69.7	161.5	0	0	112.3
296	T	28.7	Very low	30	Very low	119 Å²	119	140.6 Å²	140.6	73%	0.73	75%	0.754	S	S	*	*			trans	-80.7	159.4	-175.6	49.1	0	0	0	0	115.2
297	T	29.9	Very low	29.6	Very low	120 Å²	120	145.7 Å²	145.7	74%	0.736	77%	0.765	S	S	*	*				162.3	124.4	110.4	50.7	0	0	0	0	115.2
298	D	27	Very low	29.3	Very low	147 Å²	147	147.4 Å²	147.4	79%	0.786	77%	0.765	S	S	*	*				58.3	129.4	127.7	-62.8	5.4	0	0	0	126.9
299	C	28.3	Very low	29	Very low	102 Å²	102	145 Å²	145	69%	0.689	76%	0.764	S	S	*	*				94.5	108.2	128.5	-78	0	0	0	0	125.7
300	I	28.7	Very low	28.4	Very low	144 Å²	144	146.4 Å²	146.4	74%	0.738	76%	0.761	S	S	*	*				83.3	130.5	118.9	-66.5	171.4	0	0	0	123
301	D	26.3	Very low	28.1	Very low	164 Å²	164	145.6 Å²	145.6	88%	0.877	76%	0.76	S	S	*	*			trans	67.8	148.1	157.6	-81.3	-34.8	0	0	0	124.5
302	G	22.6	Very low	27.7	Very low	68 Å²	68	150.5 Å²	150.5	70%	0.701	78%	0.777	S	S	*	*			trans	-115.8	-138.3	175.6	0	0	0	0	0	112.9
303	P	41.8	Very low	27.7	Very low	110 Å²	110	148.1 Å²	148.1	71%	0.714	77%	0.772	S	S	*	*			cis	-140.1	-167.4	-6.2	39.8	-19.6	0	0	0	114.9
304	R	28.8	Very low	27.3	Very low	216 Å²	216	146.5 Å²	146.5	82%	0.815	77%	0.773	S	S	*	*			trans	79.4	150.9	162.3	-63.7	165.6	178.7	177.9	1.1	116.6
305	K	27.3	Very low	27.2	Very low	159 Å²	159	148.9 Å²	148.9	69%	0.691	78%	0.78	S	S	*	*			cis	-165.6	145.9	2.7	-119.5	171.2	174.1	-173.3	0	113.7
306	I	25.4	Very low	27.3	Very low	130 Å²	130	148 Å²	148	67%	0.667	77%	0.774	S	S	*	*			trans	64.5	116.8	141.5	-66.8	162.2	0	0	0	121.2
307	K	25	Very low	27.6	Very low	199 Å²	199	148.3 Å²	148.3	87%	0.865	78%	0.778	S	S	*	*				-169.8	140.6	104.2	-118.9	135.9	-175.1	-178.2	0	114.9
308	K	28.7	Very low	27.5	Very low	201 Å²	201	150.3 Å²	150.3	87%	0.874	78%	0.781	S	S	*	*			trans	-142.3	156	162.3	-77.1	-168.4	179	-174.2	0	108.3
309	P	29.3	Very low	27.5	Very low	121 Å²	121	149.5 Å²	149.5	79%	0.786	78%	0.781	S	S	*	*				-126.9	136.6	128	33.5	-24.1	0	0	0	110.2
310	R	24	Very low	27.4	Very low	228 Å²	228	150 Å²	150	86%	0.86	78%	0.782	S	S	*	*				76.1	91.2	56.3	-169.9	-178.4	176.5	136.1	4	111.3
311	V	27.2	Very low	27.4	Very low	121 Å²	121	150.3 Å²	150.3	73%	0.733	79%	0.785	S	S	*	*				72.7	127.2	69	175.4	0	0	0	0	114.4
312	K	23.1	Very low	27.7	Very low	203 Å²	203	150.6 Å²	150.6	88%	0.883	79%	0.785	S	S	*	*			trans	-150.9	147.9	154.3	-138.7	-178.9	-178.6	-168.8	0	110.8
313	I	26.8	Very low	28.4	Very low	153 Å²	153	154.9 Å²	154.9	79%	0.785	79%	0.792	S	S	*	*			trans	-142.7	141.8	-177.8	-63.8	171.4	0	0	0	108.2
314	T	21.2	Very low	28.4	Very low	125 Å²	125	155.5 Å²	155.5	77%	0.767	80%	0.796	S	S	*	*			trans	-168.7	148.4	166.9	39.5	0	0	0	0	108.3
315	S	25	Very low	28.7	Very low	109 Å²	109	153.8 Å²	153.8	76%	0.762	80%	0.797	S	S	*	*			cis	175	131.3	-34.3	42.2	0	0	0	0	108.1
316	E	28.9	Very low	29.1	Very low	169 Å²	169	153.4 Å²	153.4	79%	0.79	80%	0.803	S	S	*	*			trans	-39.6	162.6	177.5	-107.9	178.1	-107.6	0	0	119.3
317	P	35.1	Very low	30	Very low	125 Å²	125	156.7 Å²	156.7	81%	0.812	82%	0.815	S	S	*	*				-149.8	178.4	68.7	41.9	-21.7	0	0	0	119.6
318	M	26.7	Very low	30.7	Very low	162 Å²	162	156.7 Å²	156.7	80%	0.798	82%	0.819	S	S	*	*			trans	-68.8	163.9	178.2	-59.9	173.6	160.5	0	0	116.8
319	T	26.6	Very low	31.2	Very low	130 Å²	130	155.2 Å²	155.2	80%	0.798	82%	0.82	S	S	*	*				-172.7	139.7	119.6	31.4	0	0	0	0	114.9
320	T	27.2	Very low	32	Very low	114 Å²	114	157.7 Å²	157.7	70%	0.699	82%	0.821	S	S	*	*			trans	56	116.9	148	56.9	0	0	0	0	123.3
321	D	28.8	Very low	32.8	Very low	150 Å²	150	154.2 Å²	154.2	80%	0.802	82%	0.82	S	S	*	*				28.1	125.3	128.7	-39	-27.2	0	0	0	121.6
322	L	31.8	Very low	33.6	Very low	169 Å²	169	156.8 Å²	156.8	89%	0.885	83%	0.829	S	S	*	*				-179.7	137.9	124	-98.9	170.6	0	0	0	110.9
323	D	37.3	Very low	34.7	Very low	158 Å²	158	151 Å²	151	85%	0.845	81%	0.814	S	S	*	*			trans	-75	149.3	163.3	-67.3	-51.3	0	0	0	110.6
324	P	42.3	Very low	35.3	Very low	124 Å²	124	150.7 Å²	150.7	81%	0.805	81%	0.81	S	S	*	*				-134	164.2	121.2	38.2	-29.6	0	0	0	113.8
325	E	35.1	Very low	36.5	Very low	179 Å²	179	151.6 Å²	151.6	84%	0.836	81%	0.81	S	S	*	*			trans	-80.9	162.3	178.8	-61	164.4	134.1	0	0	112.5
326	D	36.5	Very low	37.4	Very low	151 Å²	151	150.3 Å²	150.3	81%	0.807	81%	0.806	S	S	*	*			trans	46.1	105.1	157.1	-57.7	-14	0	0	0	120.7
327	E	43.7	Very low	38.1	Very low	199 Å²	199	149 Å²	149	93%	0.93	80%	0.803	S	S	*	*			trans	176.7	90.4	130.1	-99.7	173.8	-155.9	0	0	111.5
328	E	38.8	Very low	38.3	Very low	200 Å²	200	149.4 Å²	149.4	94%	0.935	80%	0.799	S	S	*	*			trans	-141.7	79.8	168.4	-77.6	-168	-180	0	0	110.7
329	D	40.7	Very low	39	Very low	170 Å²	170	150.5 Å²	150.5	91%	0.909	80%	0.802	S	S	*	*	S	Bend	trans	-154.5	24.2	178.5	-133.5	-6.3	0	0	0	114.7
330	E	44.8	Very low	39.4	Very low	172 Å²	172	153.6 Å²	153.6	80%	0.804	81%	0.805	S	S	*	*	S	Bend	trans	-127.8	-26.3	-179.3	-89.7	-172	172.1	0	0	117.3	D332 S333	E330-D332 VanDerWaalsContact C-N 3.33Å; E330-D332 PolarHBondContact O-N 3.48Å; E330-S333 PolarHBondContact O-OG 3.33Å; E330-S333 VanDerWaalsContact O-OG 3.12Å
331	D	41.9	Very low	40	Very low	155 Å²	155	155.6 Å²	155.6	83%	0.829	81%	0.811	S	S	*	*	G	3₁₀ helix	trans	-67	-23	-171.8	-85.3	-12.6	0	0	0	115.2	S333	D331-S333 PolarHBondContact O-N 2.94Å
332	D	43.2	Very low	40	Very low	175 Å²	175	157.4 Å²	157.4	94%	0.936	81%	0.812	S	S	*	*	G	3₁₀ helix	trans	-74.3	14.8	-172.3	-142.3	34	0	0	0	113.7	E330	E330-D332 VanDerWaalsContact C-N 3.33Å; E330-D332 PolarHBondContact O-N 3.48Å
333	S	46.9	Very low	40.2	Very low	81 Å²	81	156.6 Å²	156.6	57%	0.566	81%	0.808	S	S	*	*	G	3₁₀ helix	trans	-118.6	-15.5	-173.7	71.1	0	0	0	0	115.8	E330 D331	E330-S333 PolarHBondContact O-OG 3.33Å; E330-S333 VanDerWaalsContact O-OG 3.12Å; D331-S333 PolarHBondContact O-N 2.94Å
334	E	39	Very low	39.8	Very low	148 Å²	148	153 Å²	153	69%	0.692	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-32.2	-174.9	-58.3	-146	143.8	0	0	114.2	A336 L337	E334-A336 PolarHBondContact O-N 3.44Å; E334-A336 VanDerWaalsContact O-N 3.11Å; E334-L337 PolarHBondContact O-N 3.48Å
335	D	46.7	Very low	39.2	Very low	144 Å²	144	153.1 Å²	153.1	77%	0.77	81%	0.812	S	S	*	*	G	3₁₀ helix	trans	-66.8	-15.7	-176.6	-115.2	1.6	0	0	0	113.6	L337	D335-L337 PolarHBondContact O-N 3.43Å
336	A	44.6	Very low	39	Very low	82 Å²	82	148.1 Å²	148.1	68%	0.678	81%	0.808	S	S	*	*	G	3₁₀ helix	trans	-72.6	-5.7	179.2	0	0	0	0	0	114.9	E334	E334-A336 PolarHBondContact O-N 3.44Å; E334-A336 VanDerWaalsContact O-N 3.11Å
337	L	42.4	Very low	38.6	Very low	140 Å²	140	149.6 Å²	149.6	73%	0.733	81%	0.811	S	S	*	*	G	3₁₀ helix	trans	-113.7	-6.1	-174.6	-66.6	177.7	0	0	0	115.2	E334 D335	E334-L337 PolarHBondContact O-N 3.48Å; D335-L337 PolarHBondContact O-N 3.43Å
338	N	40.1	Very low	38.1	Very low	135 Å²	135	147.9 Å²	147.9	72%	0.722	81%	0.808	S	S	*	*	S	Bend	trans	-92	-9.8	-179.7	-73.9	-46.1	0	0	0	114.7	F340	N338-F340 PolarHBondContact O-N 3.43Å
339	E	41.8	Very low	37.7	Very low	185 Å²	185	142.2 Å²	142.2	86%	0.864	80%	0.803	S	S	*	*	S	Bend	trans	-86.2	32	177.5	-150	-173.2	178.4	0	0	113.7
340	F	34.6	Very low	37.3	Very low	194 Å²	194	144.1 Å²	144.1	85%	0.851	81%	0.806	S	S	*	*			trans	-128.8	43.5	-176.1	-102.8	-77.7	0	0	0	114.7	N338	N338-F340 PolarHBondContact O-N 3.43Å
341	D	38.7	Very low	36.5	Very low	156 Å²	156	139.9 Å²	139.9	83%	0.834	81%	0.808	S	S	*	*			trans	-129	76.8	166.2	-156.9	-0.5	0	0	0	112.6
342	F	30.2	Very low	35.9	Very low	188 Å²	188	137.9 Å²	137.9	83%	0.825	81%	0.813	S	S	*	*			trans	-138.1	82.1	171.3	-167.4	-96.1	0	0	0	111.3
343	L	34.1	Very low	35.3	Very low	153 Å²	153	133.3 Å²	133.3	80%	0.801	81%	0.808	S	S	*	*	S	Bend		-178.5	106.6	126.2	-97.6	174.6	0	0	0	112.5
344	G	29.1	Very low	34.6	Very low	81 Å²	81	136.6 Å²	136.6	84%	0.835	81%	0.814	S	S	*	*			trans	103.8	82.1	137.5	0	0	0	0	0	119
345	S	31.1	Very low	34.2	Very low	128 Å²	128	134.5 Å²	134.5	90%	0.895	82%	0.822	S	S	*	*			trans	-112.9	128.4	133.7	62.2	0	0	0	0	108.1
346	G	30.2	Very low	33.5	Very low	74 Å²	74	137.5 Å²	137.5	76%	0.763	82%	0.823	S	S	*	*			trans	-130	133	177.9	0	0	0	0	0	111.3
347	E	28.1	Very low	32.9	Very low	182 Å²	182	142 Å²	142	85%	0.85	83%	0.834	S	S	*	*			trans	-155.4	138.8	159.1	-157.9	138.8	99.5	0	0	108.6
348	D	33.2	Very low	32.6	Very low	162 Å²	162	141.4 Å²	141.4	87%	0.866	84%	0.841	S	S	*	*			trans	39.3	131.6	162.1	-60.9	-6.7	0	0	0	123.2
349	G	29.5	Very low	32.1	Very low	81 Å²	81	138.5 Å²	138.5	84%	0.835	84%	0.843	S	S	*	*			trans	166.5	106.8	163.7	0	0	0	0	0	115.3
350	E	32.3	Very low	31.7	Very low	211 Å²	211	135.3 Å²	135.3	99%	0.986	83%	0.832	S	S	*	*			trans	-74.8	140.3	179	-58.2	178	120	0	0	113.3
351	G	29.2	Very low	32.1	Very low	82 Å²	82	129.5 Å²	129.5	85%	0.845	83%	0.827	S	S	*	*			trans	-174.1	116.3	171.8	0	0	0	0	0	113.6
352	A	29.6	Very low	32.3	Very low	113 Å²	113	130.9 Å²	130.9	93%	0.934	82%	0.82	S	S	*	*			trans	-99	153.4	-170	0	0	0	0	0	114.7
353	G	30.5	Very low	32.9	Very low	79 Å²	79	129.4 Å²	129.4	81%	0.814	82%	0.816	S	S	*	*			trans	-178.2	94.5	170.7	0	0	0	0	0	113.2
354	E	31.3	Very low	33.4	Very low	151 Å²	151	128.7 Å²	128.7	71%	0.706	81%	0.811	S	S	*	*			trans	-82.2	140.3	-180	-71.5	-167.4	83.9	0	0	114.1	R356	E354-R356 WeakPolarHBondContact OE1-CD 3.47Å; E354-R356 IonicContact OE1-CZ 3.38Å; E354-R356 IonicContact OE1-NE 3.6Å; E354-R356 PolarHBondContact OE1-NE 2.96Å; E354-R356 IonicContact OE1-NH1 2.78Å; E354-R356 PolarHBondContact OE1-NH1 2.93Å
355	A	31.4	Very low	34	Very low	104 Å²	104	130.8 Å²	130.8	86%	0.86	80%	0.799	S	S	*	*			trans	-145.6	119.8	145	0	0	0	0	0	109.4
356	R	31.8	Very low	34.6	Very low	206 Å²	206	130.8 Å²	130.8	78%	0.777	79%	0.79	S	S	*	*			trans	-114.2	129.7	-175.4	-75.2	170.3	157.3	148.7	-11.5	111.5	E354	E354-R356 WeakPolarHBondContact OE1-CD 3.47Å; E354-R356 IonicContact OE1-CZ 3.38Å; E354-R356 IonicContact OE1-NE 3.6Å; E354-R356 PolarHBondContact OE1-NE 2.96Å; E354-R356 IonicContact OE1-NH1 2.78Å; E354-R356 PolarHBondContact OE1-NH1 2.93Å
357	I	32.5	Very low	35.3	Very low	178 Å²	178	137.2 Å²	137.2	91%	0.913	79%	0.791	S	S	*	*			trans	-131.4	144	151	-61.8	-176.2	0	0	0	107.2
358	S	35.2	Very low	36.2	Very low	126 Å²	126	137.4 Å²	137.4	88%	0.881	78%	0.784	S	S	*	*			trans	-127.8	146	-170.2	-172.1	0	0	0	0	111.5
359	G	30.7	Very low	36.6	Very low	75 Å²	75	134.9 Å²	134.9	77%	0.773	77%	0.77	S	S	*	*			trans	-160.9	132.4	177.7	0	0	0	0	0	111.6
360	D	32.4	Very low	37.3	Very low	118 Å²	118	139.3 Å²	139.3	63%	0.631	77%	0.766	S	S	*	*			trans	-91.7	143.1	-169.5	-172.1	16.5	0	0	0	113.2	R362	D360-R362 PolarHBondContact O-N 2.85Å; D360-R362 IonicContact OD1-NE 3.15Å; D360-R362 WeakPolarHBondContact OD2-CD 3.42Å; D360-R362 WeakPolarHBondContact OD2-CG 3.44Å; D360-R362 IonicContact OD2-CZ 3.35Å; D360-R362 IonicContact OD2-NE 2.73Å; D360-R362 PolarHBondContact OD2-NE 3.02Å
361	G	42.2	Very low	37.8	Very low	71 Å²	71	136 Å²	136	73%	0.732	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	39.2	-171.9	0	0	0	0	0	115.5
362	R	44.4	Very low	38.3	Very low	186 Å²	186	139.8 Å²	139.8	70%	0.702	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	-4.6	-169.5	-66.1	-172.9	-167.7	-113.6	-5.1	116.8	D360	D360-R362 PolarHBondContact O-N 2.85Å; D360-R362 IonicContact OD1-NE 3.15Å; D360-R362 WeakPolarHBondContact OD2-CD 3.42Å; D360-R362 WeakPolarHBondContact OD2-CG 3.44Å; D360-R362 IonicContact OD2-CZ 3.35Å; D360-R362 IonicContact OD2-NE 2.73Å; D360-R362 PolarHBondContact OD2-NE 3.02Å
363	E	42.7	Very low	39	Very low	156 Å²	156	137.2 Å²	137.2	73%	0.729	74%	0.735	S	S	*	*	S	Bend	trans	-82.9	-24.7	-179.9	-70.7	-152.6	118.4	0	0	114.9	E365 N366	E363-E365 VanDerWaalsContact C-N 3.34Å; E363-E365 PolarHBondContact O-N 2.82Å; E363-N366 PolarHBondContact O-N 2.82Å
364	I	45	Very low	39.4	Very low	139 Å²	139	141.6 Å²	141.6	71%	0.713	74%	0.736	S	S	*	*	H	α-helix	trans	-61.1	-41	-174.6	-86.9	62.9	0	0	0	111.8	N366 R367	I364-N366 PolarHBondContact O-N 3.47Å; I364-R367 PolarHBondContact O-N 3.48Å
365	E	41.7	Very low	39.9	Very low	124 Å²	124	142.9 Å²	142.9	58%	0.579	74%	0.744	S	S	*	*	H	α-helix	trans	-65	-37.8	-176.5	-149.4	64.8	-126.5	0	0	112.4	E363 R367 R368	E363-E365 VanDerWaalsContact C-N 3.34Å; E363-E365 PolarHBondContact O-N 2.82Å; E365-R367 PolarHBondContact O-N 2.84Å; E365-R368 PolarHBondContact O-N 2.87Å
366	N	42.9	Very low	40.3	Very low	129 Å²	129	142.2 Å²	142.2	69%	0.69	73%	0.734	S	S	*	*	H	α-helix	trans	-74.3	-24.4	-175.5	-88.3	-26	0	0	0	113.9	E363 I364	E363-N366 PolarHBondContact O-N 2.82Å; I364-N366 PolarHBondContact O-N 3.47Å
367	R	45.2	Very low	40.5	Very low	209 Å²	209	140.1 Å²	140.1	79%	0.789	74%	0.738	S	S	*	*	H	α-helix	trans	-75.4	-29.8	173.2	-78.1	-172	176	-118.2	2.4	112.7	I364 E365	I364-R367 PolarHBondContact O-N 3.48Å; E365-R367 PolarHBondContact O-N 2.84Å
368	R	46.3	Very low	40.7	Very low	186 Å²	186	141.6 Å²	141.6	70%	0.702	74%	0.738	S	S	*	*	H	α-helix	trans	-65.4	-45.6	-178.9	-164.6	174.2	-170.3	127	4.8	112.3	E365 K370	E365-R368 PolarHBondContact O-N 2.87Å; R368-K370 VanDerWaalsContact C-N 3.28Å; R368-K370 PolarHBondContact O-N 3.06Å
369	N	41.9	Very low	41	Very low	109 Å²	109	141.1 Å²	141.1	58%	0.583	73%	0.732	S	S	*	*	H	α-helix	trans	-72.5	-15.5	-174.6	-68.6	-34.7	0	0	0	114.6
370	K	45	Very low	41.3	Very low	174 Å²	174	143.6 Å²	143.6	76%	0.757	73%	0.734	S	S	*	*	H	α-helix	trans	-87.9	-18.3	-178.7	-152.7	170.3	-175.5	179.6	0	114.2	R368	R368-K370 VanDerWaalsContact C-N 3.28Å; R368-K370 PolarHBondContact O-N 3.06Å
371	L	42.6	Very low	41.4	Very low	140 Å²	140	147.8 Å²	147.8	73%	0.733	75%	0.747	S	S	*	*	H	α-helix	trans	-84.3	-25.2	174.8	-96.1	159.5	0	0	0	113.3	G373	L371-G373 PolarHBondContact O-N 2.94Å
372	Q	39.8	Very low	41	Very low	162 Å²	162	150.5 Å²	150.5	76%	0.757	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-18.1	177.9	-156.8	82.2	46.9	0	0	113.2
373	G	44.3	Very low	40.6	Very low	59 Å²	59	146.8 Å²	146.8	61%	0.608	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	6.3	-169.3	0	0	0	0	0	117	L371	L371-G373 PolarHBondContact O-N 2.94Å
374	M	38.7	Very low	40.4	Very low	172 Å²	172	145.3 Å²	145.3	85%	0.847	76%	0.758	S	S	*	*	S	Bend	trans	-118.1	15.6	-178	-63.4	-173.6	73	0	0	113.9
375	M	40.8	Very low	39.8	Very low	177 Å²	177	144.3 Å²	144.3	87%	0.872	76%	0.761	S	S	*	*	S	Bend	trans	-113	30.9	-179.3	-70.9	174.7	62.4	0	0	113
376	S	40.8	Very low	39.3	Very low	91 Å²	91	144 Å²	144	64%	0.636	77%	0.769	S	S	*	*			trans	-148.9	72.7	-178.3	61.4	0	0	0	0	112.9
377	D	35.2	Very low	38.9	Very low	161 Å²	161	143.6 Å²	143.6	86%	0.861	78%	0.777	S	S	*	*			trans	-168	101.3	153.4	-102.8	-27.9	0	0	0	111.5
378	F	36.4	Very low	38.2	Very low	209 Å²	209	140.4 Å²	140.4	92%	0.917	78%	0.78	S	S	*	*			trans	-152.7	131.4	163.2	-91.3	-73.3	0	0	0	110.2
379	P	42	Very low	37.2	Very low	116 Å²	116	137.2 Å²	137.2	75%	0.753	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-79.9	162	-177	31.5	-35.3	0	0	0	114.1
380	P	37.9	Very low	36.5	Very low	128 Å²	128	135.6 Å²	135.6	83%	0.831	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-82.5	158.4	-168	32.6	-37.2	0	0	0	115.6
381	K	34.9	Very low	35.6	Very low	205 Å²	205	136.7 Å²	136.7	89%	0.891	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-76.6	143.7	173.8	-65.9	179.4	177.6	178.9	0	112.5
382	P	32.6	Very low	34.8	Very low	129 Å²	129	134.4 Å²	134.4	84%	0.838	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-79.1	164.6	166.3	33.7	-34.6	0	0	0	112.7
383	S	35.3	Very low	34.1	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-103.5	161.3	-177.4	50.3	0	0	0	0	113.7
384	P	38.7	Very low	33.3	Very low	124 Å²	124	140.9 Å²	140.9	81%	0.805	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-92.4	143.1	-176.1	35	-34.4	0	0	0	114.3
385	P	32.7	Very low	32.7	Very low	118 Å²	118	136 Å²	136	77%	0.766	82%	0.816	S	S	*	*			trans	-105.2	-177.4	162.5	44.5	-35.7	0	0	0	110
386	P	31.8	Very low	32.1	Very low	118 Å²	118	137.4 Å²	137.4	77%	0.766	82%	0.821	S	S	*	*				-115.4	169	-105.3	23.8	-2	0	0	0	114.5
387	S	35	Very low	31.5	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	83%	0.832	S	S	*	*			trans	-74	141.9	172.9	44.9	0	0	0	0	112.8
388	V	28.6	Very low	31.2	Very low	141 Å²	141	133 Å²	133	86%	0.855	83%	0.827	S	S	*	*			trans	-132.5	140.7	170.7	-179.2	0	0	0	0	108.8
389	S	26.8	Very low	30.7	Very low	120 Å²	120	127.6 Å²	127.6	84%	0.839	82%	0.821	S	S	*	*			trans	-94.4	151.8	-178.2	48.8	0	0	0	0	112.4
390	G	26.3	Very low	30.1	Very low	75 Å²	75	130.1 Å²	130.1	77%	0.773	83%	0.827	S	S	*	*			trans	-174.6	79.7	-177.5	0	0	0	0	0	117.3
391	Q	26.7	Very low	29.5	Very low	197 Å²	197	127.1 Å²	127.1	92%	0.921	82%	0.82	S	S	*	*			trans	11.1	118.6	153.4	-66.9	170.4	-49.5	0	0	122.1
392	A	25	Very low	29	Very low	92 Å²	92	127.9 Å²	127.9	76%	0.76	82%	0.824	S	S	*	*			trans	-9	145.9	137.3	0	0	0	0	0	121.4
393	R	25.8	Very low	28.7	Very low	233 Å²	233	127 Å²	127	88%	0.879	82%	0.82	S	S	*	*				-177.6	150.2	114.9	-105.3	177.4	170.7	-171.3	-4	114.5
394	S	27.3	Very low	28.3	Very low	124 Å²	124	126.1 Å²	126.1	87%	0.867	81%	0.814	S	S	*	*			trans	52.8	147.2	154.4	50.5	0	0	0	0	120.9
395	G	25.8	Very low	27.8	Very low	68 Å²	68	127.7 Å²	127.7	70%	0.701	82%	0.816	S	S	*	*			cis	157	161.6	-5.2	0	0	0	0	0	113.8
396	E	29.5	Very low	27.7	Very low	208 Å²	208	126.5 Å²	126.5	97%	0.972	81%	0.806	S	S	*	*			trans	72.7	143	169	-57.7	-166.6	93.5	0	0	120.6
397	G	27.8	Very low	27.3	Very low	85 Å²	85	130 Å²	130	88%	0.876	81%	0.81	S	S	*	*			trans	87.5	113.6	166.5	0	0	0	0	0	117.4
398	G	27.4	Very low	27.4	Very low	74 Å²	74	130.1 Å²	130.1	76%	0.763	80%	0.8	S	S	*	*			cis	170.9	122.7	-11.9	0	0	0	0	0	115.9
399	A	26.4	Very low	27.7	Very low	95 Å²	95	130.6 Å²	130.6	79%	0.785	79%	0.794	S	S	*	*			trans	69.4	157.7	147.5	0	0	0	0	0	122.4
400	L	29.7	Very low	27.8	Very low	169 Å²	169	131.3 Å²	131.3	89%	0.885	79%	0.789	S	S	*	*			trans	67.4	121.3	171.5	-44.6	-178.1	0	0	0	116
401	G	24.5	Very low	28	Very low	65 Å²	65	131.5 Å²	131.5	67%	0.67	78%	0.783	S	S	*	*			cis	107.8	106.5	-7.9	0	0	0	0	0	114.5
402	F	26	Very low	28.2	Very low	222 Å²	222	128.8 Å²	128.8	97%	0.974	78%	0.779	S	S	*	*			trans	-140.5	156.5	167.6	-93.7	-77.5	0	0	0	111.5
403	S	25.3	Very low	28.4	Very low	110 Å²	110	128.1 Å²	128.1	77%	0.769	78%	0.782	S	S	*	*			trans	-117.7	161.9	-169.8	-172.2	0	0	0	0	112.3
404	S	28.1	Very low	28.7	Very low	89 Å²	89	121.3 Å²	121.3	62%	0.622	78%	0.784	S	S	*	*			trans	-77.5	153.2	166.7	56.7	0	0	0	0	113
405	D	28.1	Very low	28.8	Very low	157 Å²	157	118.6 Å²	118.6	84%	0.84	78%	0.775	S	S	*	*			trans	-158.2	134.3	131.5	-83.6	-36.3	0	0	0	105.9
406	V	29.1	Very low	29.5	Very low	94 Å²	94	123.4 Å²	123.4	57%	0.57	79%	0.785	S	S	*	*			cis	95	102	29.2	178	0	0	0	0	114.2	I408	V406-I408 HydrophobicContact CG1-CD1 4.32Å; V406-I408 HydrophobicContact CG1-CG1 4.46Å
407	F	25.2	Very low	30	Very low	191 Å²	191	121.7 Å²	121.7	84%	0.838	78%	0.779	S	S	*	*			trans	-151.3	124.2	136.6	-89.8	-86.4	0	0	0	106
408	I	35.8	Very low	30.4	Very low	124 Å²	124	124 Å²	124	64%	0.636	77%	0.771	S	S	*	*				72.2	130.3	62.2	-68.7	170.1	0	0	0	110.3	V406	V406-I408 HydrophobicContact CG1-CD1 4.32Å; V406-I408 HydrophobicContact CG1-CG1 4.46Å
409	M	34.3	Very low	31.1	Very low	151 Å²	151	129 Å²	129	74%	0.744	78%	0.78	S	S	*	*			cis	-170.5	173.8	0.6	-113.5	-178.7	153.9	0	0	106.9
410	D	30	Very low	32.1	Very low	135 Å²	135	126.7 Å²	126.7	72%	0.722	77%	0.765	S	S	*	*			cis	-170.6	164.6	-18.9	-123.3	27.7	0	0	0	105.5
411	A	31.3	Very low	32.8	Very low	79 Å²	79	125.2 Å²	125.2	65%	0.653	75%	0.754	S	S	*	*			cis	-143.6	-122.6	-12.3	0	0	0	0	0	107.4
412	V	30.3	Very low	33.5	Very low	139 Å²	139	129.6 Å²	129.6	84%	0.842	76%	0.761	S	S	*	*			cis	-150.8	134.5	2.7	176.1	0	0	0	0	108.3
413	G	29	Very low	34.2	Very low	79 Å²	79	122 Å²	122	81%	0.814	74%	0.739	S	S	*	*			trans	85.7	129.2	164.2	0	0	0	0	0	116
414	G	31.6	Very low	34.9	Very low	90 Å²	90	124 Å²	124	93%	0.928	74%	0.741	S	S	*	*			cis	132.3	68.4	-0.4	0	0	0	0	0	112.8
415	G	30.2	Very low	35.4	Very low	66 Å²	66	126.9 Å²	126.9	68%	0.68	75%	0.749	S	S	*	*			trans	-167.9	142	175.6	0	0	0	0	0	110.9	M417	G415-M417 PolarHBondContact O-N 2.75Å
416	D	39	Very low	35.9	Very low	169 Å²	169	124.9 Å²	124.9	90%	0.904	74%	0.743	S	S	*	*			trans	-77.8	98.9	-174.3	-59.3	-66.4	0	0	0	111.5	N418	D416-N418 PolarHBondContact O-N 2.83Å; D416-N418 VanDerWaalsContact O-N 3.07Å
417	M	40.9	Very low	36.3	Very low	172 Å²	172	126.9 Å²	126.9	85%	0.847	76%	0.755	S	S	*	*			trans	-70.3	102.8	174.5	-75	174.1	171.9	0	0	110.4	G415	G415-M417 PolarHBondContact O-N 2.75Å
418	N	37.3	Very low	36.7	Very low	133 Å²	133	120.9 Å²	120.9	71%	0.711	74%	0.74	S	S	*	*			trans	-74.5	155	178.8	-169	11.8	0	0	0	110.6	D416 G420 E421	D416-N418 PolarHBondContact O-N 2.83Å; D416-N418 VanDerWaalsContact O-N 3.07Å; N418-G420 PolarHBondContact O-N 3.39Å; N418-E421 PolarHBondContact O-N 3.5Å
419	L	40.6	Very low	36.5	Very low	181 Å²	181	122.2 Å²	122.2	95%	0.948	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	27.8	-170.3	-150.1	77.8	0	0	0	114.8
420	G	48.8	Very low	36.5	Very low	46 Å²	46	122.2 Å²	122.2	47%	0.474	75%	0.752	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.9	-23.6	177.6	0	0	0	0	0	114.7	N418 L422 A423	N418-G420 PolarHBondContact O-N 3.39Å; G420-L422 PolarHBondContact O-N 3.13Å; G420-A423 WeakPolarHBondContact O-CB 3.18Å; G420-A423 PolarHBondContact O-N 2.88Å
421	E	43.1	Very low	36.7	Very low	138 Å²	138	122.3 Å²	122.3	65%	0.645	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-4.1	-175.6	-71.1	-179.3	130.4	0	0	114.2	N418 A423	N418-E421 PolarHBondContact O-N 3.5Å; E421-A423 VanDerWaalsContact C-N 3.28Å
422	L	39.8	Very low	37.1	Very low	156 Å²	156	128 Å²	128	82%	0.817	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-1.2	171	-106.7	72.5	0	0	0	113.9	G420	G420-L422 PolarHBondContact O-N 3.13Å
423	A	40.6	Very low	37.4	Very low	63 Å²	63	128.4 Å²	128.4	52%	0.521	76%	0.762	S	S	.	*	G	3₁₀ helix	trans	-75.1	-32.2	-178.7	0	0	0	0	0	113.6	G420 E421 L425	G420-A423 WeakPolarHBondContact O-CB 3.18Å; G420-A423 PolarHBondContact O-N 2.88Å; E421-A423 VanDerWaalsContact C-N 3.28Å; A423-L425 PolarHBondContact O-N 2.65Å; A423-L425 VanDerWaalsContact O-N 3.15Å
424	D	39.2	Very low	38	Very low	152 Å²	152	130.5 Å²	130.5	81%	0.813	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-85.4	19.8	-171.6	-63.5	-25.1	0	0	0	113.9
425	L	38.6	Very low	38.1	Very low	150 Å²	150	133.3 Å²	133.3	79%	0.785	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-107.4	13.1	176	-100.4	165.5	0	0	0	113.9	A423	A423-L425 PolarHBondContact O-N 2.65Å; A423-L425 VanDerWaalsContact O-N 3.15Å
426	T	39.3	Very low	38.3	Very low	115 Å²	115	137.7 Å²	137.7	71%	0.706	76%	0.764	S	S	*	*	S	Bend	trans	-78.4	117.3	160.6	53.2	0	0	0	0	110	A428	T426-A428 PolarHBondContact O-N 3.1Å
427	V	38	Very low	38.1	Very low	136 Å²	136	137.4 Å²	137.4	82%	0.824	76%	0.759	S	S	*	*			trans	-71.1	88.1	179.5	-175.8	0	0	0	0	110.7
428	A	32.3	Very low	38	Very low	64 Å²	64	137.1 Å²	137.1	53%	0.529	76%	0.756	S	S	.	*			trans	-90	124.3	161.9	0	0	0	0	0	109	T426 D430	T426-A428 PolarHBondContact O-N 3.1Å; A428-D430 PolarHBondContact O-N 2.85Å
429	N	31.8	Very low	37.9	Very low	152 Å²	152	137.9 Å²	137.9	81%	0.813	76%	0.76	S	S	*	*			trans	-81.2	67.1	175.8	-92	-4.3	0	0	0	110.9	N431	N429-N431 PolarHBondContact O-N 2.79Å; N429-N431 VanDerWaalsContact O-N 3.08Å
430	D	35.6	Very low	37.5	Very low	152 Å²	152	134.4 Å²	134.4	81%	0.813	74%	0.742	S	S	*	*			trans	-81.5	81.1	175	-71.4	-22.1	0	0	0	110.6	A428	A428-D430 PolarHBondContact O-N 2.85Å
431	N	34.5	Very low	36.9	Very low	136 Å²	136	142.4 Å²	142.4	73%	0.727	76%	0.758	S	S	*	*			trans	-99.4	59.6	177.3	-170.8	60.7	0	0	0	112.4	N429 L433	N429-N431 PolarHBondContact O-N 2.79Å; N429-N431 VanDerWaalsContact O-N 3.08Å; N431-L433 PolarHBondContact O-N 2.92Å
432	E	38.1	Very low	36.6	Very low	199 Å²	199	142.1 Å²	142.1	93%	0.93	76%	0.757	S	S	*	*			trans	-81.5	83.7	166.2	-76	-156.6	148.1	0	0	111
433	L	36.3	Very low	36.7	Very low	148 Å²	148	142 Å²	142	78%	0.775	75%	0.752	S	S	*	*			trans	-119.3	107.6	159.1	-89.8	169.5	0	0	0	109.4	N431 I435	N431-L433 PolarHBondContact O-N 2.92Å; L433-I435 PolarHBondContact O-N 3.33Å
434	S	42.7	Very low	37	Very low	122 Å²	122	144.6 Å²	144.6	85%	0.853	75%	0.752	S	S	*	*			trans	-72.3	107.5	-174.5	56.4	0	0	0	0	112.5
435	I	33.2	Very low	37.5	Very low	150 Å²	150	143.6 Å²	143.6	77%	0.769	74%	0.74	S	S	*	*			trans	-133.8	137.2	163.8	-60.8	-178.8	0	0	0	107.1	L433 M437	L433-I435 PolarHBondContact O-N 3.33Å; I435-M437 PolarHBondContact O-N 3.44Å
436	D	35.6	Very low	38.8	Very low	157 Å²	157	144.4 Å²	144.4	84%	0.84	74%	0.737	S	S	*	*			trans	-62.9	117.4	-175.3	-69.1	-59.6	0	0	0	112.7
437	M	34.4	Very low	41	Very low	163 Å²	163	142.8 Å²	142.8	80%	0.803	73%	0.728	S	S	*	*			trans	-139.8	64.1	165.4	-73.7	-164.9	175.2	0	0	109.5	I435 D439	I435-M437 PolarHBondContact O-N 3.44Å; M437-D439 VanDerWaalsContact C-N 3.33Å; M437-D439 PolarHBondContact O-N 2.73Å
438	Q	38	Very low	43.5	Very low	166 Å²	166	138.3 Å²	138.3	78%	0.776	70%	0.696	S	S	*	*			trans	-77.9	-13.5	-170	-167.5	56.2	36.7	0	0	114.2
439	D	34.6	Very low	46.2	Very low	150 Å²	150	139.8 Å²	139.8	80%	0.802	70%	0.695	S	S	*	*	S	Bend	trans	-95.6	-24.9	-173.8	-64.8	-46.7	0	0	0	115.1	M437 R441	M437-D439 VanDerWaalsContact C-N 3.33Å; M437-D439 PolarHBondContact O-N 2.73Å; D439-R441 VanDerWaalsContact C-N 3.3Å; D439-R441 PolarHBondContact O-N 2.78Å; D439-R441 VanDerWaalsContact O-N 3.12Å
440	N	33.6	Very low	48.9	Very low	108 Å²	108	136.4 Å²	136.4	58%	0.578	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	25.4	-164	-140.7	29.5	0	0	0	115.3
441	R	36.4	Very low	51.4	Low	214 Å²	214	134.2 Å²	134.2	81%	0.808	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	-4.1	-173.5	-159.2	173.6	-179.8	176.9	3	114.5	D439	D439-R441 VanDerWaalsContact C-N 3.3Å; D439-R441 PolarHBondContact O-N 2.78Å; D439-R441 VanDerWaalsContact O-N 3.12Å
442	E	36.6	Very low	54	Low	132 Å²	132	128.3 Å²	128.3	62%	0.617	63%	0.629	S	S	*	*	S	Bend	trans	-89.6	-32.7	-173.5	-68	-73.8	106.6	0	0	113.5	F444 K445	E442-F444 PolarHBondContact O-N 3.1Å; E442-K445 IonicContact OE1-NZ 3.47Å; E442-K445 PolarHBondContact OE1-NZ 3.38Å; E442-K445 IonicContact OE2-NZ 3.89Å; E442-K445 PolarHBondContact OE2-NZ 3.05Å
443	E	41.8	Very low	56.5	Low	154 Å²	154	119.7 Å²	119.7	72%	0.72	59%	0.59	S	S	*	*	S	Bend	trans	-66.5	-30.4	-177.1	-69.5	-163.9	126.1	0	0	114.2	K445	E443-K445 PolarHBondContact O-N 3.29Å
444	F	46.8	Very low	59.3	Low	116 Å²	116	112.6 Å²	112.6	51%	0.509	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.8	29.2	-174.8	-71.7	-84.6	0	0	0	115	E442 M726	E442-F444 PolarHBondContact O-N 3.1Å; F444-M726 HydrophobicContact CE1-CE 3.65Å; F444-M726 HydrophobicContact CE1-SD 4.14Å; F444-M726 HydrophobicContact CZ-CE 3.72Å; F444-M726 HydrophobicContact CZ-SD 4.02Å
445	K	49.6	Very low	61.6	Low	132 Å²	132	113.2 Å²	113.2	57%	0.574	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-9.2	-175.3	-65.3	177.6	-169.1	165.2	0	115.3	E442 E443 T447	E442-K445 IonicContact OE1-NZ 3.47Å; E442-K445 PolarHBondContact OE1-NZ 3.38Å; E442-K445 IonicContact OE2-NZ 3.89Å; E442-K445 PolarHBondContact OE2-NZ 3.05Å; E443-K445 PolarHBondContact O-N 3.29Å; K445-T447 PolarHBondContact O-N 3.29Å
446	K	65.6	Low	64.5	Low	166 Å²	166	107.9 Å²	107.9	72%	0.722	51%	0.513	S	S	*	.			trans	-89.9	88.1	173.9	-85.9	-171.4	172.8	-178	0	112
447	T	84.7	Confident	67.3	Low	82 Å²	82	101 Å²	101	50%	0.503	48%	0.476	S	S	.	.			trans	-70.3	127.4	161.7	-54.1	0	0	0	0	109.4	K445 N449 Q734	K445-T447 PolarHBondContact O-N 3.29Å; T447-N449 PolarHBondContact O-ND2 3.27Å; T447-Q734 VanDerWaalsContact CG2-NE2 3.31Å
448	W	90.6	Very high	70.2	Confident	42 Å²	42	101.9 Å²	101.9	16%	0.159	48%	0.476	C	S	.	.			trans	-73.1	127.5	175.1	-68.9	87.4	0	0	0	110.7	Q734 I736 P757 I759 F771 V772	W448-Q734 PolarHBondContact O-NE2 3.47Å; W448-I736 HydrophobicContact CB-CD1 4.17Å; W448-P757 HydrophobicContact CH2-CB 4.21Å; W448-P757 HydrophobicContact CZ3-CB 4.49Å; W448-I759 HydrophobicContact CD2-CD1 3.46Å; W448-I759 VanDerWaalsContact CD2-CD1 3.46Å; W448-I759 HydrophobicContact CD2-CG1 4.14Å; W448-I759 VanDerWaalsContact CE2-CD1 3.49Å; W448-I759 HydrophobicContact CE3-CB 4.28Å; W448-I759 HydrophobicContact CE3-CD1 3.71Å; W448-I759 HydrophobicContact CE3-CG1 3.87Å; W448-I759 HydrophobicContact CG-CD1 3.94Å; W448-I759 HydrophobicContact CH2-CD1 3.99Å; W448-I759 HydrophobicContact CH2-CG1 3.79Å; W448-I759 HydrophobicContact CZ2-CD1 3.77Å; W448-I759 HydrophobicContact CZ2-CG1 4.07Å; W448-I759 HydrophobicContact CZ3-CB 4.27Å; W448-I759 HydrophobicContact CZ3-CD1 3.98Å; W448-I759 HydrophobicContact CZ3-CG1 3.7Å; W448-F771 HydrophobicContact CB-CB 4.32Å; W448-F771 HydrophobicContact CE3-CB 4.28Å; W448-V772 CarbonylContact C-O 3.36Å; W448-V772 WeakPolarHBondContact CA-O 3.42Å
449	N	89.6	Confident	73	Confident	94 Å²	94	96.7 Å²	96.7	50%	0.503	45%	0.453	S	S	.	.			trans	-119.9	136	-175.2	-77.4	-89.6	0	0	0	111.6	T447 R451 F771 V772	T447-N449 PolarHBondContact O-ND2 3.27Å; N449-R451 PolarHBondContact O-N 2.95Å; N449-R451 VanDerWaalsContact O-N 3.16Å; N449-F771 VanDerWaalsContact O-CA 3.24Å; N449-F771 WeakPolarHBondContact O-CA 3.13Å; N449-V772 PolarHBondContact N-O 2.74Å; N449-V772 PolarHBondContact O-N 3.35Å; N449-V772 VanDerWaalsContact O-N 3.11Å
450	P	89.3	Confident	75.9	Confident	82 Å²	82	89.7 Å²	89.7	53%	0.532	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	116.8	177.7	25.7	-32.9	0	0	0	110.6	F771	P450-F771 HydrophobicContact CB-CD1 3.81Å; P450-F771 HydrophobicContact CB-CE1 3.79Å
451	R	87.8	Confident	79	Confident	106 Å²	106	84.6 Å²	84.6	40%	0.4	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-42.2	-175.3	-173.8	177.2	-170.8	148.7	3.8	113.1	N449 M491 I770 V772	N449-R451 PolarHBondContact O-N 2.95Å; N449-R451 VanDerWaalsContact O-N 3.16Å; R451-M491 VanDerWaalsContact CZ-CE 3.45Å; R451-M491 PolarHBondContact NH2-SD 2.95Å; R451-I770 PolarHBondContact N-O 2.78Å; R451-V772 HydrophobicContact CB-CG1 4.44Å; R451-V772 HydrophobicContact CB-CG2 4.17Å; R451-V772 HydrophobicContact CG-CG2 4.46Å
452	F	88.1	Confident	81.9	Confident	11 Å²	11	76.8 Å²	76.8	5%	0.048	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149	179.9	-51.7	-60.3	0	0	0	110.5	L454 L487 A490 M491 V501 K769 I770	F452-L454 HydrophobicContact CB-CD2 4.3Å; F452-L487 HydrophobicContact CD2-CD2 4.27Å; F452-L487 HydrophobicContact CE2-CB 4.41Å; F452-A490 HydrophobicContact CD1-CB 4.2Å; F452-A490 HydrophobicContact CE1-CB 3.58Å; F452-A490 HydrophobicContact CE2-CB 4.31Å; F452-A490 HydrophobicContact CZ-CB 3.64Å; F452-M491 HydrophobicContact CE2-CE 3.91Å; F452-M491 HydrophobicContact CZ-CE 3.97Å; F452-M491 HydrophobicContact CZ-CG 4.46Å; F452-V501 HydrophobicContact CD1-CG2 4.12Å; F452-V501 HydrophobicContact CG-CG2 4.44Å; F452-K769 WeakPolarHBondContact O-CA 3.42Å; F452-I770 HydrophobicContact CB-CB 4.07Å; F452-I770 HydrophobicContact CB-CG1 4.24Å; F452-I770 HydrophobicContact CD2-CB 3.91Å; F452-I770 HydrophobicContact CD2-CG1 4.23Å; F452-I770 HydrophobicContact CD2-CG2 4Å; F452-I770 HydrophobicContact CG-CB 4.48Å; F452-I770 PolarHBondContact N-O 2.89Å; F452-I770 PolarHBondContact O-N 2.91Å
453	T	92.1	Very high	84.8	Confident	18 Å²	18	70.8 Å²	70.8	11%	0.11	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	108.8	165.9	-62.6	0	0	0	0	107.7	R455 L767 A768 K769	T453-R455 HydrophobicContact CG2-CG 4.43Å; T453-L767 HydrophobicContact CG2-CB 4.24Å; T453-L767 HydrophobicContact CG2-CD1 3.89Å; T453-L767 HydrophobicContact CG2-CD2 4.4Å; T453-L767 HydrophobicContact CG2-CG 4.41Å; T453-A768 CarbonylContact C-O 3.59Å; T453-K769 HydrophobicContact CG2-CG 4.09Å
454	L	93.4	Very high	87.5	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.2	-174.2	-50.8	178.3	0	0	0	109.2	F452 L473 W485 V501 A768 I770	F452-L454 HydrophobicContact CB-CD2 4.3Å; L454-L473 HydrophobicContact CD1-CD2 3.71Å; L454-W485 HydrophobicContact CB-CD2 4.18Å; L454-W485 HydrophobicContact CB-CE3 3.99Å; L454-W485 HydrophobicContact CB-CH2 3.77Å; L454-W485 HydrophobicContact CB-CZ2 4.01Å; L454-W485 HydrophobicContact CB-CZ3 3.79Å; L454-W485 HydrophobicContact CD1-CB 4.22Å; L454-W485 HydrophobicContact CD1-CD2 3.85Å; L454-W485 HydrophobicContact CD1-CE3 4.31Å; L454-W485 HydrophobicContact CD1-CG 3.82Å; L454-W485 HydrophobicContact CD2-CD2 4.4Å; L454-W485 HydrophobicContact CD2-CE3 4.06Å; L454-W485 HydrophobicContact CG-CD2 4.36Å; L454-W485 HydrophobicContact CG-CE3 4.33Å; L454-V501 HydrophobicContact CD2-CB 3.67Å; L454-V501 HydrophobicContact CD2-CG1 3.79Å; L454-V501 HydrophobicContact CD2-CG2 4.13Å; L454-A768 HydrophobicContact CB-CB 4.23Å; L454-A768 HydrophobicContact CD1-CB 4.07Å; L454-A768 HydrophobicContact CG-CB 4.48Å; L454-A768 PolarHBondContact N-O 2.9Å; L454-I770 HydrophobicContact CD1-CD1 4.5Å; L454-I770 HydrophobicContact CD1-CG1 4.34Å
455	R	92.3	Very high	89.9	Confident	135 Å²	135	59.4 Å²	59.4	51%	0.509	28%	0.283	S	S	.	.			trans	-138.8	97	-169.8	-64	-178.3	-175	-74.2	-4.3	110.6	T453 L767	T453-R455 HydrophobicContact CG2-CG 4.43Å; R455-L767 HydrophobicContact CG-CD2 4.08Å
456	S	92.9	Very high	92.1	Very high	37 Å²	37	53.5 Å²	53.5	26%	0.259	26%	0.257	S	S	.	.			trans	-165	-17.2	176.3	-170	0	0	0	0	113.9	K483 W485	S456-K483 VanDerWaalsContact C-CE 3.46Å; S456-K483 WeakPolarHBondContact O-CE 3.3Å; S456-K483 PolarHBondContact O-NZ 2.87Å; S456-K483 PolarHBondContact OG-NZ 2.84Å; S456-W485 VanDerWaalsContact CB-CH2 3.42Å
457	H	95.4	Very high	93.6	Very high	13 Å²	13	45.8 Å²	45.8	6%	0.06	22%	0.223	C	C	.	.			trans	-73.3	148.2	169.1	-78.2	-66.3	0	0	0	111	I461 T475 S477 D479 T481 K483	H457-I461 HydrophobicContact CB-CD1 4.33Å; H457-I461 HydrophobicContact CB-CG1 4.12Å; H457-T475 PolarHBondContact CD2-OG1 3.33Å; H457-T475 PolarHBondContact NE2-OG1 2.83Å; H457-S477 WeakPolarHBondContact CE1-CB 3.31Å; H457-S477 WeakPolarHBondContact ND1-CB 3.44Å; H457-D479 WeakPolarHBondContact CA-OD2 3.31Å; H457-D479 WeakPolarHBondContact CB-OD2 2.97Å; H457-D479 IonicContact CE1-OD1 2.65Å; H457-D479 IonicContact CG-OD2 3.27Å; H457-D479 IonicContact ND1-OD1 3.57Å; H457-D479 PolarHBondContact ND1-OD1 3.5Å; H457-D479 IonicContact ND1-OD2 2.84Å; H457-D479 PolarHBondContact ND1-OD2 2.94Å; H457-T481 PolarHBondContact CE1-O 3.35Å; H457-T481 PolarHBondContact CE1-OG1 2.87Å; H457-T481 PolarHBondContact ND1-OG1 2.84Å; H457-K483 VanDerWaalsContact ND1-CE 3.25Å; H457-K483 WeakPolarHBondContact ND1-CE 3.38Å
458	F	95	Very high	94	Very high	182 Å²	182	43.3 Å²	43.3	80%	0.798	21%	0.209	S	C	*	.	S	Bend	trans	-94.2	-19.6	-178.6	-65.5	-72.2	0	0	0	113.2	D479	F458-D479 HydrophobicContact CB-CB 4.15Å; F458-D479 PolarHBondContact N-OD2 3.47Å
459	D	96.3	Very high	94	Very high	57 Å²	57	44.2 Å²	44.2	31%	0.305	22%	0.221	S	C	.	.	S	Bend	trans	-139.5	-171.3	172.8	-143.1	-39.5	0	0	0	111.9	S477 E478 K742 A766	D459-S477 PolarHBondContact O-OG 3.41Å; D459-S477 VanDerWaalsContact O-OG 3.07Å; D459-E478 HydrophobicContact CB-CB 4.29Å; D459-K742 IonicContact OD1-NZ 2.91Å; D459-K742 PolarHBondContact OD1-NZ 2.93Å; D459-K742 IonicContact OD2-NZ 3.76Å; D459-A766 WeakPolarHBondContact O-CA 3.32Å; D459-A766 WeakPolarHBondContact O-CB 3.25Å
460	A	96.9	Very high	94.1	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.017	22%	0.216	C	C	.	.			trans	-50.3	142.9	-173.7	0	0	0	0	0	112.6	S477 E478	A460-S477 WeakPolarHBondContact O-CA 3.21Å; A460-S477 VanDerWaalsContact O-CB 3.32Å; A460-S477 WeakPolarHBondContact O-CB 3.28Å; A460-S477 PolarHBondContact O-OG 2.83Å; A460-E478 HydrophobicContact CB-CG 4.19Å; A460-E478 PolarHBondContact O-N 3.35Å
461	I	98.1	Very high	94.3	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	109	174.6	-56.2	-177.9	0	0	0	107.1	H457 T475 A476 H748 A762 G763 L767 A768	H457-I461 HydrophobicContact CB-CD1 4.33Å; H457-I461 HydrophobicContact CB-CG1 4.12Å; I461-T475 HydrophobicContact CG2-CG2 4.27Å; I461-A476 CarbonylContact C-O 3.1Å; I461-A476 WeakPolarHBondContact CA-O 3.41Å; I461-A476 VanDerWaalsContact CG2-O 3.25Å; I461-A476 WeakPolarHBondContact CG2-O 3.15Å; I461-H748 PolarHBondContact O-CD2 3.47Å; I461-H748 VanDerWaalsContact O-CD2 3.27Å; I461-A762 HydrophobicContact CB-CB 3.87Å; I461-A762 HydrophobicContact CG2-CB 3.56Å; I461-G763 PolarHBondContact N-O 3.18Å; I461-G763 VanDerWaalsContact N-O 3.17Å; I461-L767 VanDerWaalsContact CD1-C 3.47Å; I461-A768 HydrophobicContact CD1-CB 3.82Å
462	R	97.4	Very high	94.6	Very high	50 Å²	50	34.7 Å²	34.7	19%	0.189	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-32.6	-174.8	-69.5	-69.2	-169.5	-168.8	2	112.8	A476 E478 L515 E745 H748	R462-A476 PolarHBondContact N-O 3.05Å; R462-E478 HydrophobicContact CG-CG 3.69Å; R462-E478 IonicContact CZ-OE1 2.7Å; R462-E478 IonicContact CZ-OE2 2.63Å; R462-E478 IonicContact NE-OE1 2.71Å; R462-E478 PolarHBondContact NE-OE1 3.26Å; R462-E478 IonicContact NE-OE2 2.97Å; R462-E478 IonicContact NH2-OE1 2.7Å; R462-E478 PolarHBondContact NH2-OE1 3.1Å; R462-E478 IonicContact NH2-OE2 3.17Å; R462-E478 PolarHBondContact NH2-OE2 3.38Å; R462-L515 HydrophobicContact CG-CD2 4.37Å; R462-E745 IonicContact CZ-OE1 3.61Å; R462-E745 IonicContact CZ-OE2 2.65Å; R462-E745 IonicContact NH1-OE1 2.57Å; R462-E745 PolarHBondContact NH1-OE1 2.91Å; R462-E745 IonicContact NH1-OE2 3.77Å; R462-E745 PolarHBondContact NH1-OE2 3.4Å; R462-E745 IonicContact NH2-OE1 3.81Å; R462-E745 PolarHBondContact NH2-OE1 2.81Å; R462-E745 IonicContact NH2-OE2 2.68Å; R462-E745 PolarHBondContact NH2-OE2 3.36Å; R462-H748 PolarHBondContact NH1-CE1 3.09Å; R462-H748 PolarHBondContact NH1-ND1 3.37Å; R462-H748 WeakPolarHBondContact O-CB 3.36Å
463	A	97.6	Very high	95	Very high	6 Å²	6	34.1 Å²	34.1	5%	0.05	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.3	178.8	0	0	0	0	0	113.3	A476 L517 D749	A463-A476 HydrophobicContact CB-CB 4.33Å; A463-A476 PolarHBondContact N-O 2.79Å; A463-A476 PolarHBondContact O-N 3.35Å; A463-L517 HydrophobicContact CB-CB 3.82Å; A463-D749 VanDerWaalsContact CA-OD2 3.27Å; A463-D749 WeakPolarHBondContact CA-OD2 3.4Å
464	L	97.6	Very high	95.2	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.6	172.5	51.5	58.4	0	0	0	112.3	L473 L474 T475 D749 A751 A760 A762	L464-L473 HydrophobicContact CB-CD1 4.44Å; L464-L473 HydrophobicContact CD2-CD1 4.48Å; L464-L473 HydrophobicContact CD2-CD2 4.34Å; L464-L474 CarbonylContact C-O 3.58Å; L464-L474 VanDerWaalsContact CA-O 3.24Å; L464-L474 WeakPolarHBondContact CA-O 3.5Å; L464-L474 WeakPolarHBondContact CB-O 3.2Å; L464-T475 HydrophobicContact CB-CG2 4.1Å; L464-D749 HydrophobicContact CD1-CB 4.28Å; L464-D749 HydrophobicContact CG-CB 4.17Å; L464-D749 PolarHBondContact N-OD2 2.92Å; L464-A751 HydrophobicContact CD1-CB 3.45Å; L464-A751 VanDerWaalsContact CD1-CB 3.45Å; L464-A760 HydrophobicContact CD1-CB 4.31Å; L464-A760 HydrophobicContact CD2-CB 3.58Å; L464-A762 HydrophobicContact CD2-CB 3.75Å; L464-A762 HydrophobicContact CG-CB 3.88Å
465	T	97.3	Very high	95.4	Very high	26 Å²	26	33.3 Å²	33.3	16%	0.16	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.7	173.1	-159.2	0	0	0	0	111.6	L474 L517 M519	T465-L474 HydrophobicContact CG2-CB 4.15Å; T465-L474 HydrophobicContact CG2-CD1 4.26Å; T465-L474 PolarHBondContact N-O 2.85Å; T465-L474 PolarHBondContact O-N 3.26Å; T465-L517 HydrophobicContact CG2-CD1 4.24Å; T465-L517 HydrophobicContact CG2-CD2 4.25Å; T465-L517 HydrophobicContact CG2-CG 3.87Å; T465-M519 HydrophobicContact CG2-CB 4.05Å
466	F	97.1	Very high	95.7	Very high	8 Å²	8	26.9 Å²	26.9	4%	0.035	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	150.3	175.1	-80.4	-79.2	0	0	0	110.9	V472 L473 L487 A751 F752 H753 F758 A760 I770	F466-V472 WeakPolarHBondContact CA-O 3.28Å; F466-V472 WeakPolarHBondContact CD1-O 3.44Å; F466-L473 HydrophobicContact CD1-CD1 3.88Å; F466-L473 HydrophobicContact CD2-CD1 4.06Å; F466-L473 HydrophobicContact CE1-CD1 3.86Å; F466-L473 HydrophobicContact CE2-CD1 4.04Å; F466-L473 HydrophobicContact CG-CD1 3.99Å; F466-L473 HydrophobicContact CZ-CD1 3.94Å; F466-L487 HydrophobicContact CE1-CD1 3.89Å; F466-A751 HydrophobicContact CD2-CB 3.85Å; F466-A751 HydrophobicContact CE2-CB 4.12Å; F466-F752 WeakPolarHBondContact CD2-O 3.47Å; F466-H753 HydrophobicContact CB-CB 4.18Å; F466-H753 HydrophobicContact CD1-CB 3.8Å; F466-H753 AromaticContact CD1-CD2 3.61Å; F466-H753 AromaticContact CD1-CG 3.9Å; F466-H753 HydrophobicContact CD2-CB 3.86Å; F466-H753 HydrophobicContact CE1-CB 4.04Å; F466-H753 HydrophobicContact CE2-CB 4.09Å; F466-H753 HydrophobicContact CG-CB 3.7Å; F466-H753 HydrophobicContact CZ-CB 4.17Å; F466-F758 HydrophobicContact CE1-CB 3.8Å; F466-F758 HydrophobicContact CE1-CG 4.4Å; F466-F758 HydrophobicContact CE2-CB 4.49Å; F466-F758 HydrophobicContact CZ-CB 3.62Å; F466-A760 HydrophobicContact CE2-CB 3.54Å; F466-A760 HydrophobicContact CZ-CB 3.63Å; F466-I770 HydrophobicContact CE1-CD1 4.42Å; F466-I770 HydrophobicContact CZ-CD1 4.12Å
467	H	96.1	Very high	95.9	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.019	13%	0.127	C	C	.	.			trans	-65.6	138.5	163.9	-171.1	-43.1	0	0	0	109.6	S469 Q470 V472 M519 H753	H467-S469 PolarHBondContact CE1-OG 2.92Å; H467-S469 VanDerWaalsContact CE1-OG 3.25Å; H467-S469 PolarHBondContact ND1-N 2.83Å; H467-S469 PolarHBondContact ND1-OG 3.19Å; H467-S469 PolarHBondContact O-N 3.4Å; H467-Q470 HydrophobicContact CB-CB 4.3Å; H467-Q470 VanDerWaalsContact NE2-CD 3.29Å; H467-Q470 PolarHBondContact NE2-NE2 3.25Å; H467-Q470 VanDerWaalsContact NE2-NE2 3.15Å; H467-V472 HydrophobicContact CB-CB 3.85Å; H467-V472 HydrophobicContact CB-CG1 4.25Å; H467-V472 PolarHBondContact N-O 3.27Å; H467-M519 HydrophobicContact CB-CE 4.47Å; H467-M519 HydrophobicContact CB-SD 4.08Å; H467-H753 PolarHBondContact O-CE1 3.23Å
468	P	93.1	Very high	96	Very high	30 Å²	30	27.6 Å²	27.6	20%	0.195	14%	0.139	C	C	.	.	S	Bend	trans	-62.4	-5.8	-176.1	19	-32.8	0	0	0	116.6	M519 E521	P468-M519 VanDerWaalsContact CD-SD 3.6Å; P468-E521 WeakPolarHBondContact CG-O 3.35Å
469	S	91.1	Very high	96.1	Very high	61 Å²	61	20.8 Å²	20.8	43%	0.427	11%	0.111	S	C	.	.	S	Bend	trans	-149.8	-42.3	-172.7	57.3	0	0	0	0	113.4	H467 Q756	H467-S469 PolarHBondContact CE1-OG 2.92Å; H467-S469 VanDerWaalsContact CE1-OG 3.25Å; H467-S469 PolarHBondContact ND1-N 2.83Å; H467-S469 PolarHBondContact ND1-OG 3.19Å; H467-S469 PolarHBondContact O-N 3.4Å; S469-Q756 PolarHBondContact O-NE2 3.48Å
470	Q	92.4	Very high	96	Very high	81 Å²	81	18.6 Å²	18.6	38%	0.379	10%	0.102	S	C	.	.	S	Bend	trans	-85.8	146.9	-178.9	-51.8	-177.8	24.7	0	0	111.5	H467 V472 H753	H467-Q470 HydrophobicContact CB-CB 4.3Å; H467-Q470 VanDerWaalsContact NE2-CD 3.29Å; H467-Q470 PolarHBondContact NE2-NE2 3.25Å; H467-Q470 VanDerWaalsContact NE2-NE2 3.15Å; Q470-V472 HydrophobicContact CB-CB 4.42Å; Q470-V472 HydrophobicContact CB-CG2 3.87Å; Q470-V472 PolarHBondContact O-N 3.23Å; Q470-H753 PolarHBondContact O-NE2 2.86Å; Q470-H753 VanDerWaalsContact O-NE2 3.1Å
471	A	92.3	Very high	96	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-74.4	72.8	179.9	0	0	0	0	0	111.5	L487 N488 F758	A471-L487 HydrophobicContact CB-CB 4.28Å; A471-L487 VanDerWaalsContact O-CB 3.28Å; A471-L487 WeakPolarHBondContact O-CB 3.33Å; A471-L487 PolarHBondContact O-N 2.58Å; A471-N488 WeakPolarHBondContact CB-OD1 3.39Å; A471-F758 HydrophobicContact CB-CE2 3.88Å; A471-F758 HydrophobicContact CB-CZ 4.36Å
472	V	93.9	Very high	96	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	135.2	-164.3	171.2	0	0	0	0	109.4	F466 H467 Q470 L484 W485 M540 L543	F466-V472 WeakPolarHBondContact CA-O 3.28Å; F466-V472 WeakPolarHBondContact CD1-O 3.44Å; H467-V472 HydrophobicContact CB-CB 3.85Å; H467-V472 HydrophobicContact CB-CG1 4.25Å; H467-V472 PolarHBondContact N-O 3.27Å; Q470-V472 HydrophobicContact CB-CB 4.42Å; Q470-V472 HydrophobicContact CB-CG2 3.87Å; Q470-V472 PolarHBondContact O-N 3.23Å; V472-L484 HydrophobicContact CG1-CD1 3.33Å; V472-W485 WeakPolarHBondContact CA-O 3.49Å; V472-M540 HydrophobicContact CG1-CE 4.1Å; V472-L543 HydrophobicContact CG1-CD2 4.35Å; V472-L543 HydrophobicContact CG2-CD1 3.66Å; V472-L543 HydrophobicContact CG2-CD2 3.79Å; V472-L543 HydrophobicContact CG2-CG 4.4Å
473	L	96	Very high	95.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.9	175.9	-168.3	81.2	0	0	0	110	L454 L464 F466 T475 W485 A760 A768 I770	L454-L473 HydrophobicContact CD1-CD2 3.71Å; L464-L473 HydrophobicContact CB-CD1 4.44Å; L464-L473 HydrophobicContact CD2-CD1 4.48Å; L464-L473 HydrophobicContact CD2-CD2 4.34Å; F466-L473 HydrophobicContact CD1-CD1 3.88Å; F466-L473 HydrophobicContact CD2-CD1 4.06Å; F466-L473 HydrophobicContact CE1-CD1 3.86Å; F466-L473 HydrophobicContact CE2-CD1 4.04Å; F466-L473 HydrophobicContact CG-CD1 3.99Å; F466-L473 HydrophobicContact CZ-CD1 3.94Å; L473-T475 HydrophobicContact CD2-CG2 3.51Å; L473-T475 HydrophobicContact CG-CG2 4.24Å; L473-W485 HydrophobicContact CB-CB 4.42Å; L473-W485 PolarHBondContact N-O 2.83Å; L473-W485 PolarHBondContact O-N 3.28Å; L473-A760 HydrophobicContact CD1-CB 3.8Å; L473-A760 HydrophobicContact CD2-CB 4.48Å; L473-A768 HydrophobicContact CD2-CB 4.4Å; L473-I770 HydrophobicContact CD1-CD1 4.47Å; L473-I770 HydrophobicContact CD2-CD1 4Å
474	L	97.4	Very high	95.8	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.2	157.6	-68.8	176.7	0	0	0	109.9	L464 T465 K483 L484 F507 L517 M519 C526	L464-L474 CarbonylContact C-O 3.58Å; L464-L474 VanDerWaalsContact CA-O 3.24Å; L464-L474 WeakPolarHBondContact CA-O 3.5Å; L464-L474 WeakPolarHBondContact CB-O 3.2Å; T465-L474 HydrophobicContact CG2-CB 4.15Å; T465-L474 HydrophobicContact CG2-CD1 4.26Å; T465-L474 PolarHBondContact N-O 2.85Å; T465-L474 PolarHBondContact O-N 3.26Å; L474-K483 WeakPolarHBondContact CA-O 3.17Å; L474-L484 HydrophobicContact CD2-CB 3.89Å; L474-L484 HydrophobicContact CD2-CD1 3.74Å; L474-L484 HydrophobicContact CD2-CG 4.38Å; L474-L484 HydrophobicContact CG-CD1 4.5Å; L474-F507 HydrophobicContact CD2-CE2 3.61Å; L474-F507 HydrophobicContact CD2-CZ 4.13Å; L474-L517 HydrophobicContact CB-CD1 4.44Å; L474-L517 HydrophobicContact CB-CD2 3.75Å; L474-L517 HydrophobicContact CD1-CD1 4.17Å; L474-M519 HydrophobicContact CD1-CE 3.38Å; L474-M519 HydrophobicContact CG-CE 3.93Å; L474-C526 HydrophobicContact CD1-CB 3.47Å; L474-C526 VanDerWaalsContact CD1-CB 3.47Å; L474-C526 WeakPolarHBondContact CD1-SG 3.4Å
475	T	98	Very high	95.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.8	171	55.9	0	0	0	0	110.6	H457 I461 L464 L473 L482 K483 W485 A768	H457-T475 PolarHBondContact CD2-OG1 3.33Å; H457-T475 PolarHBondContact NE2-OG1 2.83Å; I461-T475 HydrophobicContact CG2-CG2 4.27Å; L464-T475 HydrophobicContact CB-CG2 4.1Å; L473-T475 HydrophobicContact CD2-CG2 3.51Å; L473-T475 HydrophobicContact CG-CG2 4.24Å; T475-L482 CarbonylContact O-C 3.47Å; T475-L482 WeakPolarHBondContact O-CA 3.22Å; T475-L482 WeakPolarHBondContact O-CB 3.46Å; T475-K483 PolarHBondContact N-O 2.99Å; T475-K483 PolarHBondContact O-N 2.95Å; T475-W485 PolarHBondContact OG1-NE1 3.45Å; T475-A768 HydrophobicContact CG2-CB 3.81Å
476	A	98	Very high	95.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.5	179	0	0	0	0	0	110.3	I461 R462 A463 L482 V514 L517	I461-A476 CarbonylContact C-O 3.1Å; I461-A476 WeakPolarHBondContact CA-O 3.41Å; I461-A476 VanDerWaalsContact CG2-O 3.25Å; I461-A476 WeakPolarHBondContact CG2-O 3.15Å; R462-A476 PolarHBondContact N-O 3.05Å; A463-A476 HydrophobicContact CB-CB 4.33Å; A463-A476 PolarHBondContact N-O 2.79Å; A463-A476 PolarHBondContact O-N 3.35Å; A476-L482 HydrophobicContact CB-CD2 3.93Å; A476-L482 HydrophobicContact CB-CG 4.07Å; A476-V514 HydrophobicContact CB-CB 3.97Å; A476-V514 HydrophobicContact CB-CG1 3.61Å; A476-L517 HydrophobicContact CB-CB 4.04Å; A476-L517 HydrophobicContact CB-CD2 3.92Å
477	S	97.9	Very high	94.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	160.1	-168.7	177.3	0	0	0	0	113.9	H457 D459 A460 D479 G480 T481 V514	H457-S477 WeakPolarHBondContact CE1-CB 3.31Å; H457-S477 WeakPolarHBondContact ND1-CB 3.44Å; D459-S477 PolarHBondContact O-OG 3.41Å; D459-S477 VanDerWaalsContact O-OG 3.07Å; A460-S477 WeakPolarHBondContact O-CA 3.21Å; A460-S477 VanDerWaalsContact O-CB 3.32Å; A460-S477 WeakPolarHBondContact O-CB 3.28Å; A460-S477 PolarHBondContact O-OG 2.83Å; S477-D479 WeakPolarHBondContact CB-OD1 3.31Å; S477-D479 PolarHBondContact O-N 3.4Å; S477-D479 PolarHBondContact OG-N 3.08Å; S477-G480 PolarHBondContact O-N 3.11Å; S477-T481 PolarHBondContact N-O 3.05Å; S477-V514 PolarHBondContact O-N 3.18Å
478	E	97.1	Very high	94.3	Very high	64 Å²	64	19.2 Å²	19.2	30%	0.299	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.2	169	-53.9	-160.9	121.2	0	0	113.5	D459 A460 R462 G480 A513	D459-E478 HydrophobicContact CB-CB 4.29Å; A460-E478 HydrophobicContact CB-CG 4.19Å; A460-E478 PolarHBondContact O-N 3.35Å; R462-E478 HydrophobicContact CG-CG 3.69Å; R462-E478 IonicContact CZ-OE1 2.7Å; R462-E478 IonicContact CZ-OE2 2.63Å; R462-E478 IonicContact NE-OE1 2.71Å; R462-E478 PolarHBondContact NE-OE1 3.26Å; R462-E478 IonicContact NE-OE2 2.97Å; R462-E478 IonicContact NH2-OE1 2.7Å; R462-E478 PolarHBondContact NH2-OE1 3.1Å; R462-E478 IonicContact NH2-OE2 3.17Å; R462-E478 PolarHBondContact NH2-OE2 3.38Å; E478-G480 PolarHBondContact O-N 3.18Å; E478-A513 HydrophobicContact CB-CB 3.97Å; E478-A513 HydrophobicContact CG-CB 4.05Å
479	D	96.2	Very high	93.1	Very high	40 Å²	40	23 Å²	23	21%	0.214	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	5.6	171	75	15.8	0	0	0	114.9	H457 F458 S477 T481	H457-D479 WeakPolarHBondContact CA-OD2 3.31Å; H457-D479 WeakPolarHBondContact CB-OD2 2.97Å; H457-D479 IonicContact CE1-OD1 2.65Å; H457-D479 IonicContact CG-OD2 3.27Å; H457-D479 IonicContact ND1-OD1 3.57Å; H457-D479 PolarHBondContact ND1-OD1 3.5Å; H457-D479 IonicContact ND1-OD2 2.84Å; H457-D479 PolarHBondContact ND1-OD2 2.94Å; F458-D479 HydrophobicContact CB-CB 4.15Å; F458-D479 PolarHBondContact N-OD2 3.47Å; S477-D479 WeakPolarHBondContact CB-OD1 3.31Å; S477-D479 PolarHBondContact O-N 3.4Å; S477-D479 PolarHBondContact OG-N 3.08Å; D479-T481 PolarHBondContact O-N 2.54Å; D479-T481 WeakPolarHBondContact OD1-CB 3.17Å; D479-T481 PolarHBondContact OD1-N 2.94Å; D479-T481 PolarHBondContact OD1-OG1 2.92Å
480	G	95.6	Very high	91.6	Very high	11 Å²	11	21 Å²	21	11%	0.113	11%	0.108	C	C	.	.	S	Bend	trans	75.3	3.4	177.6	0	0	0	0	0	114.4	S477 E478 G512	S477-G480 PolarHBondContact O-N 3.11Å; E478-G480 PolarHBondContact O-N 3.18Å; G480-G512 WeakPolarHBondContact CA-O 3.4Å
481	T	96.3	Very high	89.9	Confident	18 Å²	18	19.9 Å²	19.9	11%	0.11	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	157	-179.9	77.8	0	0	0	0	112.6	H457 S477 D479 T506 F507 R508	H457-T481 PolarHBondContact CE1-O 3.35Å; H457-T481 PolarHBondContact CE1-OG1 2.87Å; H457-T481 PolarHBondContact ND1-OG1 2.84Å; S477-T481 PolarHBondContact N-O 3.05Å; D479-T481 PolarHBondContact O-N 2.54Å; D479-T481 WeakPolarHBondContact OD1-CB 3.17Å; D479-T481 PolarHBondContact OD1-N 2.94Å; D479-T481 PolarHBondContact OD1-OG1 2.92Å; T481-T506 HydrophobicContact CG2-CG2 4Å; T481-F507 WeakPolarHBondContact CA-O 3.31Å; T481-R508 HydrophobicContact CG2-CG 4.07Å
482	L	97.1	Very high	87.9	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	147.6	159.9	-56.4	90.9	0	0	0	109.4	T475 A476 T506 F507 V514 L517 W538	T475-L482 CarbonylContact O-C 3.47Å; T475-L482 WeakPolarHBondContact O-CA 3.22Å; T475-L482 WeakPolarHBondContact O-CB 3.46Å; A476-L482 HydrophobicContact CB-CD2 3.93Å; A476-L482 HydrophobicContact CB-CG 4.07Å; L482-T506 CarbonylContact O-C 3.6Å; L482-T506 VanDerWaalsContact O-CA 3.3Å; L482-T506 WeakPolarHBondContact O-CA 3.21Å; L482-F507 HydrophobicContact CB-CB 4.11Å; L482-F507 HydrophobicContact CB-CD2 3.82Å; L482-F507 HydrophobicContact CB-CG 4.34Å; L482-F507 HydrophobicContact CD1-CB 4.31Å; L482-F507 PolarHBondContact N-O 3.4Å; L482-F507 VanDerWaalsContact N-O 3.1Å; L482-F507 PolarHBondContact O-N 3.23Å; L482-V514 HydrophobicContact CD1-CG1 3.99Å; L482-V514 HydrophobicContact CD1-CG2 3.9Å; L482-V514 HydrophobicContact CD2-CG1 4.19Å; L482-V514 HydrophobicContact CG-CG1 4.06Å; L482-V514 HydrophobicContact CG-CG2 4.38Å; L482-L517 HydrophobicContact CD2-CD1 3.69Å; L482-L517 HydrophobicContact CD2-CD2 4.24Å; L482-L517 HydrophobicContact CD2-CG 4.43Å; L482-W538 HydrophobicContact CD1-CZ2 4.14Å
483	K	95.6	Very high	85.9	Confident	9 Å²	9	31 Å²	31	4%	0.039	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.4	-179.5	-67.6	175.9	-166	-95.5	0	111.5	S456 H457 L474 T475 W485 P503 T506	S456-K483 VanDerWaalsContact C-CE 3.46Å; S456-K483 WeakPolarHBondContact O-CE 3.3Å; S456-K483 PolarHBondContact O-NZ 2.87Å; S456-K483 PolarHBondContact OG-NZ 2.84Å; H457-K483 VanDerWaalsContact ND1-CE 3.25Å; H457-K483 WeakPolarHBondContact ND1-CE 3.38Å; L474-K483 WeakPolarHBondContact CA-O 3.17Å; T475-K483 PolarHBondContact N-O 2.99Å; T475-K483 PolarHBondContact O-N 2.95Å; K483-W485 HydrophobicContact CB-CZ2 3.93Å; K483-W485 HydrophobicContact CD-CH2 4.37Å; K483-W485 HydrophobicContact CD-CZ2 3.95Å; K483-W485 PolarHBondContact O-NE1 3.36Å; K483-P503 HydrophobicContact CB-CB 4.05Å; K483-P503 HydrophobicContact CD-CG 4.4Å; K483-P503 HydrophobicContact CG-CB 4.4Å; K483-T506 HydrophobicContact CG-CG2 4.16Å
484	L	95.2	Very high	83.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.2	179.5	172.3	60.5	0	0	0	110.3	V472 L474 P503 I504 Y505 F507 M540 P541	V472-L484 HydrophobicContact CG1-CD1 3.33Å; L474-L484 HydrophobicContact CD2-CB 3.89Å; L474-L484 HydrophobicContact CD2-CD1 3.74Å; L474-L484 HydrophobicContact CD2-CG 4.38Å; L474-L484 HydrophobicContact CG-CD1 4.5Å; L484-P503 CarbonylContact O-C 3.56Å; L484-P503 WeakPolarHBondContact O-CA 3.35Å; L484-P503 WeakPolarHBondContact O-CB 3.43Å; L484-I504 HydrophobicContact CD1-CD1 4.46Å; L484-I504 HydrophobicContact CD2-CB 4.32Å; L484-I504 HydrophobicContact CD2-CD1 3.91Å; L484-I504 HydrophobicContact CD2-CG1 4.45Å; L484-I504 HydrophobicContact CG-CB 4.31Å; L484-I504 HydrophobicContact CG-CD1 3.77Å; L484-I504 HydrophobicContact CG-CG1 4.09Å; L484-I504 PolarHBondContact O-N 3.01Å; L484-Y505 PolarHBondContact N-O 3.36Å; L484-F507 HydrophobicContact CB-CE2 4.04Å; L484-M540 HydrophobicContact CD1-CE 3.71Å; L484-M540 HydrophobicContact CD1-SD 4.37Å; L484-M540 HydrophobicContact CD2-CE 3.88Å; L484-M540 HydrophobicContact CD2-SD 4.46Å; L484-M540 HydrophobicContact CG-CE 4.47Å; L484-P541 HydrophobicContact CD2-CG 3.68Å
485	W	93.8	Very high	81.1	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.8	-173.4	-46.5	85.5	0	0	0	111.6	L454 S456 V472 L473 T475 K483 V501 P503	L454-W485 HydrophobicContact CB-CD2 4.18Å; L454-W485 HydrophobicContact CB-CE3 3.99Å; L454-W485 HydrophobicContact CB-CH2 3.77Å; L454-W485 HydrophobicContact CB-CZ2 4.01Å; L454-W485 HydrophobicContact CB-CZ3 3.79Å; L454-W485 HydrophobicContact CD1-CB 4.22Å; L454-W485 HydrophobicContact CD1-CD2 3.85Å; L454-W485 HydrophobicContact CD1-CE3 4.31Å; L454-W485 HydrophobicContact CD1-CG 3.82Å; L454-W485 HydrophobicContact CD2-CD2 4.4Å; L454-W485 HydrophobicContact CD2-CE3 4.06Å; L454-W485 HydrophobicContact CG-CD2 4.36Å; L454-W485 HydrophobicContact CG-CE3 4.33Å; S456-W485 VanDerWaalsContact CB-CH2 3.42Å; V472-W485 WeakPolarHBondContact CA-O 3.49Å; L473-W485 HydrophobicContact CB-CB 4.42Å; L473-W485 PolarHBondContact N-O 2.83Å; L473-W485 PolarHBondContact O-N 3.28Å; T475-W485 PolarHBondContact OG1-NE1 3.45Å; K483-W485 HydrophobicContact CB-CZ2 3.93Å; K483-W485 HydrophobicContact CD-CH2 4.37Å; K483-W485 HydrophobicContact CD-CZ2 3.95Å; K483-W485 PolarHBondContact O-NE1 3.36Å; W485-V501 HydrophobicContact CE3-CG1 4.47Å; W485-V501 WeakPolarHBondContact CZ3-O 3.31Å; W485-P503 HydrophobicContact CD2-CB 4.27Å; W485-P503 HydrophobicContact CE3-CB 4.07Å; W485-P503 HydrophobicContact CZ3-CB 4.24Å; W485-P503 HydrophobicContact CZ3-CG 4.42Å
486	N	91.1	Very high	78.5	Confident	12 Å²	12	58 Å²	58	6%	0.064	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	105.6	177.1	-165.9	-50.2	0	0	0	110.8	N488 K489 I504	N486-N488 VanDerWaalsContact C-N 3.32Å; N486-N488 PolarHBondContact O-N 3.24Å; N486-N488 WeakPolarHBondContact OD1-CA 3.39Å; N486-N488 WeakPolarHBondContact OD1-CB 3.36Å; N486-N488 PolarHBondContact OD1-N 3.19Å; N486-K489 HydrophobicContact CB-CB 4.16Å; N486-K489 HydrophobicContact CB-CD 4.03Å; N486-K489 HydrophobicContact CB-CG 4.08Å; N486-K489 PolarHBondContact OD1-N 2.96Å; N486-I504 HydrophobicContact CB-CD1 3.63Å; N486-I504 HydrophobicContact CB-CG1 3.84Å
487	L	89.4	Confident	76.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-77.7	-19.5	-178.3	-50.8	-179.6	0	0	0	112.2	F452 F466 A471 A490 M491 F758 I770	F452-L487 HydrophobicContact CD2-CD2 4.27Å; F452-L487 HydrophobicContact CE2-CB 4.41Å; F466-L487 HydrophobicContact CE1-CD1 3.89Å; A471-L487 HydrophobicContact CB-CB 4.28Å; A471-L487 VanDerWaalsContact O-CB 3.28Å; A471-L487 WeakPolarHBondContact O-CB 3.33Å; A471-L487 PolarHBondContact O-N 2.58Å; L487-A490 WeakPolarHBondContact O-CB 3.47Å; L487-M491 WeakPolarHBondContact O-CG 3.28Å; L487-M491 PolarHBondContact O-N 3.07Å; L487-F758 HydrophobicContact CD1-CD1 4.46Å; L487-F758 HydrophobicContact CD1-CE1 4.47Å; L487-I770 HydrophobicContact CD1-CD1 4.24Å; L487-I770 HydrophobicContact CD1-CG1 4.33Å; L487-I770 HydrophobicContact CD1-CG2 4.39Å; L487-I770 HydrophobicContact CD2-CG1 4.13Å
488	N	82.4	Confident	74	Confident	74 Å²	74	62.2 Å²	62.2	40%	0.396	32%	0.322	S	S	.	.	H	α-helix	trans	-71.5	-44.1	172.9	-72.7	-25.8	0	0	0	112.3	A471 N486 A490 M491 H492	A471-N488 WeakPolarHBondContact CB-OD1 3.39Å; N486-N488 VanDerWaalsContact C-N 3.32Å; N486-N488 PolarHBondContact O-N 3.24Å; N486-N488 WeakPolarHBondContact OD1-CA 3.39Å; N486-N488 WeakPolarHBondContact OD1-CB 3.36Å; N486-N488 PolarHBondContact OD1-N 3.19Å; N488-A490 PolarHBondContact O-N 3.24Å; N488-M491 WeakPolarHBondContact O-CB 3.22Å; N488-M491 PolarHBondContact O-N 2.98Å; N488-H492 PolarHBondContact O-CD2 2.76Å
489	K	67.9	Low	71.9	Confident	110 Å²	110	63.5 Å²	63.5	48%	0.478	33%	0.331	S	S	.	.	H	α-helix	trans	-57.4	-35.4	175	-71.4	-179.3	-171.5	176.8	0	111.1	N486 M491 L543	N486-K489 HydrophobicContact CB-CB 4.16Å; N486-K489 HydrophobicContact CB-CD 4.03Å; N486-K489 HydrophobicContact CB-CG 4.08Å; N486-K489 PolarHBondContact OD1-N 2.96Å; K489-M491 PolarHBondContact O-N 2.94Å; K489-L543 WeakPolarHBondContact CE-O 3.46Å; K489-L543 PolarHBondContact NZ-O 2.6Å
490	A	59.8	Low	70.1	Confident	19 Å²	19	67.1 Å²	67.1	16%	0.157	35%	0.35	C	S	.	.	H	α-helix	trans	-67.9	-28.6	175.1	0	0	0	0	0	114.5	F452 L487 N488 H492 V501	F452-A490 HydrophobicContact CD1-CB 4.2Å; F452-A490 HydrophobicContact CE1-CB 3.58Å; F452-A490 HydrophobicContact CE2-CB 4.31Å; F452-A490 HydrophobicContact CZ-CB 3.64Å; L487-A490 WeakPolarHBondContact O-CB 3.47Å; N488-A490 PolarHBondContact O-N 3.24Å; A490-H492 VanDerWaalsContact C-N 3.34Å; A490-H492 PolarHBondContact O-N 3.07Å; A490-V501 HydrophobicContact CB-CB 4.43Å; A490-V501 HydrophobicContact CB-CG1 4.15Å; A490-V501 HydrophobicContact CB-CG2 3.47Å; A490-V501 VanDerWaalsContact CB-CG2 3.47Å
491	M	56.9	Low	69.4	Low	58 Å²	58	67.2 Å²	67.2	29%	0.286	35%	0.349	S	S	.	.	H	α-helix	trans	-69	-29.6	-175.9	-67.1	-102.4	161.8	0	0	113.6	R451 F452 L487 N488 K489 F758	R451-M491 VanDerWaalsContact CZ-CE 3.45Å; R451-M491 PolarHBondContact NH2-SD 2.95Å; F452-M491 HydrophobicContact CE2-CE 3.91Å; F452-M491 HydrophobicContact CZ-CE 3.97Å; F452-M491 HydrophobicContact CZ-CG 4.46Å; L487-M491 WeakPolarHBondContact O-CG 3.28Å; L487-M491 PolarHBondContact O-N 3.07Å; N488-M491 WeakPolarHBondContact O-CB 3.22Å; N488-M491 PolarHBondContact O-N 2.98Å; K489-M491 PolarHBondContact O-N 2.94Å; M491-F758 HydrophobicContact CE-CE1 3.56Å; M491-F758 HydrophobicContact CE-CZ 3.45Å; M491-F758 VanDerWaalsContact CE-CZ 3.45Å
492	H	50.5	Low	68.9	Low	163 Å²	163	72.8 Å²	72.8	76%	0.755	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-1.6	-173.5	-60.7	-68.5	0	0	0	114.1	N488 A490	N488-H492 PolarHBondContact O-CD2 2.76Å; A490-H492 VanDerWaalsContact C-N 3.34Å; A490-H492 PolarHBondContact O-N 3.07Å
493	S	51	Low	68.6	Low	70 Å²	70	73.6 Å²	73.6	49%	0.49	38%	0.379	S	S	.	.	S	Bend	trans	-73.7	133.4	178	-160.6	0	0	0	0	111.3	A497	S493-A497 WeakPolarHBondContact OG-CB 3.27Å
494	K	43.8	Very low	68.4	Low	192 Å²	192	73.4 Å²	73.4	84%	0.835	38%	0.378	S	S	*	.			trans	-65.7	150.7	-174.6	-80.9	-174.2	173.5	-179.5	0	112	N496 A497	K494-N496 VanDerWaalsContact C-N 3.33Å; K494-N496 PolarHBondContact O-N 3.04Å; K494-A497 PolarHBondContact O-N 2.87Å
495	K	49.8	Very low	68.2	Low	212 Å²	212	74.7 Å²	74.7	92%	0.922	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	79.6	-174.9	-64.1	177.2	179.1	175.1	0	114.6
496	N	42.8	Very low	68.2	Low	165 Å²	165	75.7 Å²	75.7	88%	0.882	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-177.8	-32.3	158.2	-99.1	-14.2	0	0	0	111.7	K494 A498	K494-N496 VanDerWaalsContact C-N 3.33Å; K494-N496 PolarHBondContact O-N 3.04Å; N496-A498 PolarHBondContact O-N 2.89Å
497	A	52.8	Low	68.3	Low	29 Å²	29	75.2 Å²	75.2	24%	0.24	39%	0.387	C	S	.	.			trans	-79.8	37.9	-173.6	0	0	0	0	0	114.7	S493 K494 L499 D500	S493-A497 WeakPolarHBondContact OG-CB 3.27Å; K494-A497 PolarHBondContact O-N 2.87Å; A497-L499 PolarHBondContact O-N 3.12Å; A497-D500 WeakPolarHBondContact CA-OD2 3.45Å; A497-D500 HydrophobicContact CB-CB 4.36Å; A497-D500 VanDerWaalsContact CB-OD2 3.28Å; A497-D500 WeakPolarHBondContact CB-OD2 3.36Å; A497-D500 PolarHBondContact O-N 3.43Å
498	A	48.2	Very low	68.4	Low	58 Å²	58	82.8 Å²	82.8	48%	0.479	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	10	-176.8	0	0	0	0	0	114.5	N496	N496-A498 PolarHBondContact O-N 2.89Å
499	L	53.7	Low	68.7	Low	91 Å²	91	80.9 Å²	80.9	48%	0.476	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-10	-178.1	-62.2	173.8	0	0	0	112.5	A497 V501	A497-L499 PolarHBondContact O-N 3.12Å; L499-V501 PolarHBondContact O-N 2.57Å
500	D	59.6	Low	69.8	Low	117 Å²	117	76.4 Å²	76.4	63%	0.626	39%	0.391	S	S	*	.			trans	-103.4	45.6	-165.1	-48.4	-39.4	0	0	0	111	A497 E502	A497-D500 WeakPolarHBondContact CA-OD2 3.45Å; A497-D500 HydrophobicContact CB-CB 4.36Å; A497-D500 VanDerWaalsContact CB-OD2 3.28Å; A497-D500 WeakPolarHBondContact CB-OD2 3.36Å; A497-D500 PolarHBondContact O-N 3.43Å; D500-E502 PolarHBondContact O-N 3.17Å
501	V	80.3	Confident	71.4	Confident	13 Å²	13	80.6 Å²	80.6	8%	0.079	42%	0.419	C	S	.	.			trans	-87.7	96.2	171.4	-170.5	0	0	0	0	107.6	F452 L454 W485 A490 L499	F452-V501 HydrophobicContact CD1-CG2 4.12Å; F452-V501 HydrophobicContact CG-CG2 4.44Å; L454-V501 HydrophobicContact CD2-CB 3.67Å; L454-V501 HydrophobicContact CD2-CG1 3.79Å; L454-V501 HydrophobicContact CD2-CG2 4.13Å; W485-V501 HydrophobicContact CE3-CG1 4.47Å; W485-V501 WeakPolarHBondContact CZ3-O 3.31Å; A490-V501 HydrophobicContact CB-CB 4.43Å; A490-V501 HydrophobicContact CB-CG1 4.15Å; A490-V501 HydrophobicContact CB-CG2 3.47Å; A490-V501 VanDerWaalsContact CB-CG2 3.47Å; L499-V501 PolarHBondContact O-N 2.57Å
502	E	85.9	Confident	73.1	Confident	134 Å²	134	78.9 Å²	78.9	63%	0.626	42%	0.416	S	S	*	.			trans	-75.4	150	173.5	-65.1	-172.6	156.1	0	0	111.2	D500	D500-E502 PolarHBondContact O-N 3.17Å
503	P	90.7	Very high	75.3	Confident	18 Å²	18	71.6 Å²	71.6	12%	0.117	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.5	172.8	31.5	-35.1	0	0	0	110.6	K483 L484 W485 Y505	K483-P503 HydrophobicContact CB-CB 4.05Å; K483-P503 HydrophobicContact CD-CG 4.4Å; K483-P503 HydrophobicContact CG-CB 4.4Å; L484-P503 CarbonylContact O-C 3.56Å; L484-P503 WeakPolarHBondContact O-CA 3.35Å; L484-P503 WeakPolarHBondContact O-CB 3.43Å; W485-P503 HydrophobicContact CD2-CB 4.27Å; W485-P503 HydrophobicContact CE3-CB 4.07Å; W485-P503 HydrophobicContact CZ3-CB 4.24Å; W485-P503 HydrophobicContact CZ3-CG 4.42Å; P503-Y505 VanDerWaalsContact C-N 3.32Å
504	I	90.1	Very high	77.6	Confident	6 Å²	6	68.3 Å²	68.3	3%	0.031	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-39.6	174	-30.1	173.8	0	0	0	110.5	L484 N486 L543	L484-I504 HydrophobicContact CD1-CD1 4.46Å; L484-I504 HydrophobicContact CD2-CB 4.32Å; L484-I504 HydrophobicContact CD2-CD1 3.91Å; L484-I504 HydrophobicContact CD2-CG1 4.45Å; L484-I504 HydrophobicContact CG-CB 4.31Å; L484-I504 HydrophobicContact CG-CD1 3.77Å; L484-I504 HydrophobicContact CG-CG1 4.09Å; L484-I504 PolarHBondContact O-N 3.01Å; N486-I504 HydrophobicContact CB-CD1 3.63Å; N486-I504 HydrophobicContact CB-CG1 3.84Å; I504-L543 HydrophobicContact CD1-CB 4.17Å; I504-L543 HydrophobicContact CD1-CD2 3.63Å; I504-L543 HydrophobicContact CD1-CG 4.47Å
505	Y	92.1	Very high	80.1	Confident	27 Å²	27	59.7 Å²	59.7	11%	0.106	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	148.7	-171.7	-165.5	-96.8	0	0	0	110.3	L484 P503 F507 P541 V545 I555	L484-Y505 PolarHBondContact N-O 3.36Å; P503-Y505 VanDerWaalsContact C-N 3.32Å; Y505-F507 AromaticContact CD1-CD1 3.8Å; Y505-F507 HydrophobicContact CD1-CD1 3.8Å; Y505-F507 AromaticContact CD1-CD2 3.92Å; Y505-F507 HydrophobicContact CD1-CD2 3.92Å; Y505-F507 AromaticContact CD1-CE1 3.83Å; Y505-F507 HydrophobicContact CD1-CE1 3.83Å; Y505-F507 AromaticContact CD1-CE2 3.94Å; Y505-F507 HydrophobicContact CD1-CE2 3.94Å; Y505-F507 AromaticContact CD1-CG 3.85Å; Y505-F507 HydrophobicContact CD1-CG 3.85Å; Y505-F507 AromaticContact CD1-CZ 3.9Å; Y505-F507 HydrophobicContact CD1-CZ 3.9Å; Y505-F507 HydrophobicContact CE1-CB 4.37Å; Y505-F507 AromaticContact CE1-CD1 3.62Å; Y505-F507 HydrophobicContact CE1-CD1 3.62Å; Y505-F507 HydrophobicContact CE1-CD2 4.41Å; Y505-F507 AromaticContact CE1-CE1 3.95Å; Y505-F507 HydrophobicContact CE1-CE1 3.95Å; Y505-F507 AromaticContact CE1-CG 3.87Å; Y505-F507 HydrophobicContact CE1-CG 3.87Å; Y505-F507 HydrophobicContact CE1-CZ 4.48Å; Y505-P541 HydrophobicContact CD1-CG 4.3Å; Y505-P541 HydrophobicContact CG-CG 4.12Å; Y505-V545 HydrophobicContact CD2-CG1 4.43Å; Y505-I555 HydrophobicContact CD2-CD1 4.44Å; Y505-I555 HydrophobicContact CE1-CD1 4.15Å; Y505-I555 HydrophobicContact CE1-CG2 4.1Å; Y505-I555 HydrophobicContact CE2-CD1 3.64Å; Y505-I555 VanDerWaalsContact CZ-CD1 3.48Å; Y505-I555 WeakPolarHBondContact OH-CD1 3.46Å
506	T	93.5	Very high	82.4	Confident	22 Å²	22	49.8 Å²	49.8	14%	0.135	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	106.8	174.3	-58.9	0	0	0	0	109.2	T481 L482 K483 R508	T481-T506 HydrophobicContact CG2-CG2 4Å; L482-T506 CarbonylContact O-C 3.6Å; L482-T506 VanDerWaalsContact O-CA 3.3Å; L482-T506 WeakPolarHBondContact O-CA 3.21Å; K483-T506 HydrophobicContact CG-CG2 4.16Å; T506-R508 HydrophobicContact CG2-CG 4.11Å; T506-R508 PolarHBondContact O-NH1 3.24Å
507	F	93.8	Very high	85	Confident	1 Å²	1	42.6 Å²	42.6	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	132	175.4	-49.3	-98.8	0	0	0	109.1	L474 T481 L482 L484 Y505 W538 P541 I555	L474-F507 HydrophobicContact CD2-CE2 3.61Å; L474-F507 HydrophobicContact CD2-CZ 4.13Å; T481-F507 WeakPolarHBondContact CA-O 3.31Å; L482-F507 HydrophobicContact CB-CB 4.11Å; L482-F507 HydrophobicContact CB-CD2 3.82Å; L482-F507 HydrophobicContact CB-CG 4.34Å; L482-F507 HydrophobicContact CD1-CB 4.31Å; L482-F507 PolarHBondContact N-O 3.4Å; L482-F507 VanDerWaalsContact N-O 3.1Å; L482-F507 PolarHBondContact O-N 3.23Å; L484-F507 HydrophobicContact CB-CE2 4.04Å; Y505-F507 AromaticContact CD1-CD1 3.8Å; Y505-F507 HydrophobicContact CD1-CD1 3.8Å; Y505-F507 AromaticContact CD1-CD2 3.92Å; Y505-F507 HydrophobicContact CD1-CD2 3.92Å; Y505-F507 AromaticContact CD1-CE1 3.83Å; Y505-F507 HydrophobicContact CD1-CE1 3.83Å; Y505-F507 AromaticContact CD1-CE2 3.94Å; Y505-F507 HydrophobicContact CD1-CE2 3.94Å; Y505-F507 AromaticContact CD1-CG 3.85Å; Y505-F507 HydrophobicContact CD1-CG 3.85Å; Y505-F507 AromaticContact CD1-CZ 3.9Å; Y505-F507 HydrophobicContact CD1-CZ 3.9Å; Y505-F507 HydrophobicContact CE1-CB 4.37Å; Y505-F507 AromaticContact CE1-CD1 3.62Å; Y505-F507 HydrophobicContact CE1-CD1 3.62Å; Y505-F507 HydrophobicContact CE1-CD2 4.41Å; Y505-F507 AromaticContact CE1-CE1 3.95Å; Y505-F507 HydrophobicContact CE1-CE1 3.95Å; Y505-F507 AromaticContact CE1-CG 3.87Å; Y505-F507 HydrophobicContact CE1-CG 3.87Å; Y505-F507 HydrophobicContact CE1-CZ 4.48Å; F507-W538 HydrophobicContact CB-CD2 4.44Å; F507-W538 HydrophobicContact CB-CE3 4.25Å; F507-W538 HydrophobicContact CB-CH2 3.85Å; F507-W538 HydrophobicContact CB-CZ2 4.11Å; F507-W538 HydrophobicContact CB-CZ3 3.95Å; F507-W538 HydrophobicContact CD1-CB 4.37Å; F507-W538 AromaticContact CD1-CD2 3.91Å; F507-W538 HydrophobicContact CD1-CD2 3.91Å; F507-W538 AromaticContact CD1-CE3 3.68Å; F507-W538 HydrophobicContact CD1-CE3 3.68Å; F507-W538 HydrophobicContact CD1-CG 4.26Å; F507-W538 HydrophobicContact CD1-CZ3 4.14Å; F507-W538 HydrophobicContact CE1-CB 4.26Å; F507-W538 HydrophobicContact CG-CD2 4.48Å; F507-W538 HydrophobicContact CG-CE3 4.39Å; F507-P541 HydrophobicContact CE1-CG 4.42Å; F507-P541 HydrophobicContact CZ-CG 4.17Å; F507-I555 HydrophobicContact CD1-CG2 3.79Å; F507-I555 HydrophobicContact CE1-CG2 3.67Å
508	R	91.9	Very high	87.1	Confident	160 Å²	160	42.1 Å²	42.1	60%	0.604	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	110.5	-178.4	-61.2	-176.1	-179.5	89.2	-9.5	109.1	T481 T506	T481-R508 HydrophobicContact CG2-CG 4.07Å; T506-R508 HydrophobicContact CG2-CG 4.11Å; T506-R508 PolarHBondContact O-NH1 3.24Å
509	A	86.8	Confident	89.3	Confident	34 Å²	34	40 Å²	40	28%	0.281	22%	0.217	S	C	.	.			trans	-163.1	-21.1	171	0	0	0	0	0	114.1	R536 W538	A509-R536 PolarHBondContact O-NE 3.32Å; A509-R536 PolarHBondContact O-NH2 3.1Å; A509-W538 HydrophobicContact CB-CH2 3.45Å; A509-W538 VanDerWaalsContact CB-CH2 3.45Å; A509-W538 HydrophobicContact CB-CZ2 4.16Å; A509-W538 HydrophobicContact CB-CZ3 4.27Å
510	H	92.9	Very high	91.3	Very high	16 Å²	16	35.8 Å²	35.8	7%	0.074	20%	0.195	C	C	.	.			trans	-65.9	137.7	172.5	-74.8	-95	0	0	0	110.5	G512 V514 S528 G530 D532 R536	H510-G512 VanDerWaalsContact C-N 3.26Å; H510-G512 PolarHBondContact O-N 2.86Å; H510-V514 HydrophobicContact CB-CG2 3.92Å; H510-S528 PolarHBondContact CE1-O 2.79Å; H510-S528 PolarHBondContact NE2-O 3.16Å; H510-S528 PolarHBondContact NE2-OG 3.5Å; H510-G530 PolarHBondContact CE1-N 3.43Å; H510-D532 WeakPolarHBondContact CA-OD2 3.24Å; H510-D532 IonicContact CE1-OD1 2.87Å; H510-D532 IonicContact CG-OD1 2.79Å; H510-D532 IonicContact CG-OD2 3.2Å; H510-D532 IonicContact ND1-OD1 3.53Å; H510-D532 PolarHBondContact ND1-OD1 3.07Å; H510-D532 IonicContact ND1-OD2 2.71Å; H510-R536 VanDerWaalsContact CA-NH1 3.33Å; H510-R536 PolarHBondContact CD2-NH1 3.42Å; H510-R536 PolarHBondContact CE1-NH1 2.83Å; H510-R536 PolarHBondContact ND1-NH1 2.92Å; H510-R536 PolarHBondContact NE2-NH1 2.99Å
511	S	92	Very high	92.8	Very high	107 Å²	107	36.1 Å²	36.1	75%	0.748	19%	0.193	S	C	*	.	S	Bend	trans	-91.9	18.8	178	58.3	0	0	0	0	113	D532	S511-D532 PolarHBondContact N-OD2 3.34Å; S511-D532 VanDerWaalsContact OG-CB 3.31Å; S511-D532 WeakPolarHBondContact OG-CB 3.49Å; S511-D532 PolarHBondContact OG-OD2 3.41Å
512	G	93.4	Very high	93.3	Very high	22 Å²	22	39.5 Å²	39.5	23%	0.227	21%	0.211	C	C	.	.	S	Bend	trans	-175.3	-172.4	-177.9	0	0	0	0	0	110.1	G480 H510 V514	G480-G512 WeakPolarHBondContact CA-O 3.4Å; H510-G512 VanDerWaalsContact C-N 3.26Å; H510-G512 PolarHBondContact O-N 2.86Å; G512-V514 PolarHBondContact O-N 2.79Å
513	A	96.9	Very high	93.6	Very high	10 Å²	10	33.3 Å²	33.3	8%	0.083	18%	0.183	C	C	.	.			trans	-53.2	136.3	-176.9	0	0	0	0	0	113.1	E478 L515 G530 L531	E478-A513 HydrophobicContact CB-CB 3.97Å; E478-A513 HydrophobicContact CG-CB 4.05Å; A513-L515 HydrophobicContact CB-CD2 4.05Å; A513-G530 CarbonylContact O-C 3.58Å; A513-G530 VanDerWaalsContact O-CA 3.22Å; A513-G530 WeakPolarHBondContact O-CA 3.3Å; A513-L531 HydrophobicContact CB-CB 4.22Å; A513-L531 PolarHBondContact O-N 3.19Å
514	V	98.1	Very high	93.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	117.1	172	-168.1	0	0	0	0	107.6	A476 S477 L482 H510 G512	A476-V514 HydrophobicContact CB-CB 3.97Å; A476-V514 HydrophobicContact CB-CG1 3.61Å; S477-V514 PolarHBondContact O-N 3.18Å; L482-V514 HydrophobicContact CD1-CG1 3.99Å; L482-V514 HydrophobicContact CD1-CG2 3.9Å; L482-V514 HydrophobicContact CD2-CG1 4.19Å; L482-V514 HydrophobicContact CG-CG1 4.06Å; L482-V514 HydrophobicContact CG-CG2 4.38Å; H510-V514 HydrophobicContact CB-CG2 3.92Å; G512-V514 PolarHBondContact O-N 2.79Å
515	L	97.4	Very high	93.9	Very high	11 Å²	11	40.4 Å²	40.4	6%	0.058	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-35.8	-165	-59.7	171.8	0	0	0	112.3	R462 A513 G529 L531 W568	R462-L515 HydrophobicContact CG-CD2 4.37Å; A513-L515 HydrophobicContact CB-CD2 4.05Å; L515-G529 PolarHBondContact N-O 2.94Å; L515-L531 HydrophobicContact CD1-CB 4.3Å; L515-L531 HydrophobicContact CD1-CD1 4.29Å; L515-W568 HydrophobicContact CB-CE3 4.5Å; L515-W568 HydrophobicContact CD1-CD2 3.97Å; L515-W568 HydrophobicContact CD1-CE3 3.64Å; L515-W568 HydrophobicContact CD1-CH2 4.09Å; L515-W568 HydrophobicContact CD1-CZ2 4.4Å; L515-W568 HydrophobicContact CD1-CZ3 3.7Å; L515-W568 HydrophobicContact CD2-CE3 4.01Å; L515-W568 HydrophobicContact CD2-CZ3 3.72Å; L515-W568 HydrophobicContact CG-CE3 4.26Å; L515-W568 HydrophobicContact CG-CZ3 4.3Å
516	S	97.1	Very high	94.1	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.8	-175.1	57.3	0	0	0	0	112.2	S528 G529 V567 L570	S516-S528 CarbonylContact O-C 3.54Å; S516-S528 VanDerWaalsContact O-CA 3.28Å; S516-S528 WeakPolarHBondContact O-CA 3.15Å; S516-G529 PolarHBondContact N-O 3.43Å; S516-G529 PolarHBondContact O-N 3.32Å; S516-G529 WeakPolarHBondContact OG-CA 3.2Å; S516-G529 PolarHBondContact OG-N 3.35Å; S516-V567 PolarHBondContact OG-O 2.78Å; S516-L570 WeakPolarHBondContact OG-CB 3.37Å
517	L	97.8	Very high	94.3	Very high	13 Å²	13	38.8 Å²	38.8	7%	0.068	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	133.4	-171.6	171.4	58	0	0	0	110.9	A463 T465 L474 A476 L482 Y527	A463-L517 HydrophobicContact CB-CB 3.82Å; T465-L517 HydrophobicContact CG2-CD1 4.24Å; T465-L517 HydrophobicContact CG2-CD2 4.25Å; T465-L517 HydrophobicContact CG2-CG 3.87Å; L474-L517 HydrophobicContact CB-CD1 4.44Å; L474-L517 HydrophobicContact CB-CD2 3.75Å; L474-L517 HydrophobicContact CD1-CD1 4.17Å; A476-L517 HydrophobicContact CB-CB 4.04Å; A476-L517 HydrophobicContact CB-CD2 3.92Å; L482-L517 HydrophobicContact CD2-CD1 3.69Å; L482-L517 HydrophobicContact CD2-CD2 4.24Å; L482-L517 HydrophobicContact CD2-CG 4.43Å; L517-Y527 WeakPolarHBondContact CA-O 3.35Å
518	T	96.8	Very high	94.5	Very high	20 Å²	20	38.7 Å²	38.7	12%	0.123	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	169.8	173.2	-161.4	0	0	0	0	111.5	C526 Y527 L570 L579	T518-C526 WeakPolarHBondContact O-CA 3.39Å; T518-C526 WeakPolarHBondContact O-CB 3.36Å; T518-Y527 HydrophobicContact CG2-CD2 4.19Å; T518-Y527 PolarHBondContact N-O 3.49Å; T518-Y527 PolarHBondContact O-N 2.71Å; T518-L570 HydrophobicContact CG2-CD2 4.12Å; T518-L570 HydrophobicContact CG2-CG 3.87Å; T518-L579 HydrophobicContact CG2-CD2 3.63Å
519	M	95.4	Very high	94.8	Very high	12 Å²	12	31.1 Å²	31.1	6%	0.059	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.4	-178.1	-167.1	178.4	-76.8	0	0	110.7	T465 H467 P468 L474 S525 C526	T465-M519 HydrophobicContact CG2-CB 4.05Å; H467-M519 HydrophobicContact CB-CE 4.47Å; H467-M519 HydrophobicContact CB-SD 4.08Å; P468-M519 VanDerWaalsContact CD-SD 3.6Å; L474-M519 HydrophobicContact CD1-CE 3.38Å; L474-M519 HydrophobicContact CG-CE 3.93Å; M519-S525 WeakPolarHBondContact CG-O 3.43Å; M519-C526 HydrophobicContact CB-CB 4.37Å; M519-C526 HydrophobicContact CE-CB 4.24Å; M519-C526 HydrophobicContact CG-CB 4.21Å
520	S	95	Very high	95.3	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.021	17%	0.167	C	C	.	.			trans	-70.9	156	169.5	48.1	0	0	0	0	112.1	D522 G523 S525	S520-D522 VanDerWaalsContact C-N 3.26Å; S520-D522 VanDerWaalsContact CB-OD1 3.26Å; S520-D522 WeakPolarHBondContact CB-OD1 3.31Å; S520-D522 PolarHBondContact O-N 3.02Å; S520-D522 PolarHBondContact OG-OD1 2.79Å; S520-G523 PolarHBondContact O-N 3.11Å; S520-S525 PolarHBondContact N-O 3.14Å; S520-S525 PolarHBondContact OG-N 3.45Å; S520-S525 PolarHBondContact OG-O 2.84Å
521	E	90.5	Very high	95.4	Very high	125 Å²	125	32.8 Å²	32.8	58%	0.584	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.4	-176.6	-170.9	176.7	-110.9	0	0	113.4	P468 G523 S574	P468-E521 WeakPolarHBondContact CG-O 3.35Å; E521-G523 VanDerWaalsContact C-N 3.33Å; E521-S574 WeakPolarHBondContact OE1-CB 3.29Å; E521-S574 PolarHBondContact OE1-OG 3.35Å; E521-S574 WeakPolarHBondContact OE2-CB 3.46Å
522	D	90.8	Very high	95.5	Very high	84 Å²	84	29.6 Å²	29.6	45%	0.449	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-25.4	168.7	48.5	48.4	0	0	0	113.3	S520 E524	S520-D522 VanDerWaalsContact C-N 3.26Å; S520-D522 VanDerWaalsContact CB-OD1 3.26Å; S520-D522 WeakPolarHBondContact CB-OD1 3.31Å; S520-D522 PolarHBondContact O-N 3.02Å; S520-D522 PolarHBondContact OG-OD1 2.79Å; D522-E524 VanDerWaalsContact C-N 3.27Å; D522-E524 HydrophobicContact CB-CG 4.27Å; D522-E524 PolarHBondContact OD1-N 2.84Å
523	G	92.3	Very high	95.6	Very high	3 Å²	3	29 Å²	29	3%	0.031	15%	0.152	C	C	.	.	S	Bend	trans	75	5.2	-171.4	0	0	0	0	0	115.3	S520 E521 M540	S520-G523 PolarHBondContact O-N 3.11Å; E521-G523 VanDerWaalsContact C-N 3.33Å; G523-M540 VanDerWaalsContact O-CB 3.24Å; G523-M540 WeakPolarHBondContact O-CB 3.45Å; G523-M540 WeakPolarHBondContact O-CG 3.26Å
524	E	93	Very high	95.5	Very high	144 Å²	144	28.8 Å²	28.8	67%	0.673	15%	0.151	S	C	*	.	S	Bend	trans	-78.6	-19.9	179.4	-65.2	-166.9	175	0	0	113	D522 M540	D522-E524 VanDerWaalsContact C-N 3.27Å; D522-E524 HydrophobicContact CB-CG 4.27Å; D522-E524 PolarHBondContact OD1-N 2.84Å; E524-M540 WeakPolarHBondContact O-CB 3.44Å; E524-M540 PolarHBondContact O-N 2.97Å
525	S	94.8	Very high	95.5	Very high	30 Å²	30	28.8 Å²	28.8	21%	0.21	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145	-179.7	-63.5	0	0	0	0	113.2	M519 S520 W538	M519-S525 WeakPolarHBondContact CG-O 3.43Å; S520-S525 PolarHBondContact N-O 3.14Å; S520-S525 PolarHBondContact OG-N 3.45Å; S520-S525 PolarHBondContact OG-O 2.84Å; S525-W538 CarbonylContact C-O 3.49Å; S525-W538 WeakPolarHBondContact CA-O 3.33Å; S525-W538 WeakPolarHBondContact CB-O 3.45Å
526	C	96.5	Very high	95.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	160.4	169.5	68.7	0	0	0	0	111.6	L474 T518 M519 W538	L474-C526 HydrophobicContact CD1-CB 3.47Å; L474-C526 VanDerWaalsContact CD1-CB 3.47Å; L474-C526 WeakPolarHBondContact CD1-SG 3.4Å; T518-C526 WeakPolarHBondContact O-CA 3.39Å; T518-C526 WeakPolarHBondContact O-CB 3.36Å; M519-C526 HydrophobicContact CB-CB 4.37Å; M519-C526 HydrophobicContact CE-CB 4.24Å; M519-C526 HydrophobicContact CG-CB 4.21Å; C526-W538 PolarHBondContact N-O 2.92Å; C526-W538 PolarHBondContact O-N 3.25Å
527	Y	97.4	Very high	95.3	Very high	13 Å²	13	29.5 Å²	29.5	5%	0.051	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	137.5	-168.1	-51.5	-82.5	0	0	0	109.8	L517 T518 R536 C537 L570 Y572 L579 P593	L517-Y527 WeakPolarHBondContact CA-O 3.35Å; T518-Y527 HydrophobicContact CG2-CD2 4.19Å; T518-Y527 PolarHBondContact N-O 3.49Å; T518-Y527 PolarHBondContact O-N 2.71Å; Y527-R536 WeakPolarHBondContact CA-O 3.47Å; Y527-C537 HydrophobicContact CD1-CB 3.9Å; Y527-C537 VanDerWaalsContact CD1-SG 3.55Å; Y527-C537 HydrophobicContact CE1-CB 3.9Å; Y527-L570 WeakPolarHBondContact O-CD2 3.02Å; Y527-Y572 HydrophobicContact CE2-CD2 4.09Å; Y527-Y572 HydrophobicContact CE2-CE2 4.25Å; Y527-L579 HydrophobicContact CD1-CD1 3.57Å; Y527-L579 HydrophobicContact CD2-CD1 4.22Å; Y527-L579 HydrophobicContact CD2-CD2 3.72Å; Y527-L579 HydrophobicContact CD2-CG 4.45Å; Y527-L579 HydrophobicContact CE1-CD1 3.92Å; Y527-L579 HydrophobicContact CE2-CD2 4.26Å; Y527-L579 HydrophobicContact CG-CD1 3.72Å; Y527-L579 HydrophobicContact CG-CD2 3.86Å; Y527-L579 HydrophobicContact CG-CG 4.38Å; Y527-P593 HydrophobicContact CE1-CB 3.82Å; Y527-P593 HydrophobicContact CE1-CG 4.06Å
528	S	97.8	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.9	-176.9	61.5	0	0	0	0	112.9	H510 S516 V535 R536 W538	H510-S528 PolarHBondContact CE1-O 2.79Å; H510-S528 PolarHBondContact NE2-O 3.16Å; H510-S528 PolarHBondContact NE2-OG 3.5Å; S516-S528 CarbonylContact O-C 3.54Å; S516-S528 VanDerWaalsContact O-CA 3.28Å; S516-S528 WeakPolarHBondContact O-CA 3.15Å; S528-V535 CarbonylContact O-C 3.49Å; S528-V535 VanDerWaalsContact O-CA 3.3Å; S528-V535 WeakPolarHBondContact O-CA 3.32Å; S528-R536 PolarHBondContact N-O 2.82Å; S528-R536 PolarHBondContact O-N 2.8Å; S528-W538 PolarHBondContact OG-NE1 2.96Å
529	G	97.6	Very high	95.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	142.5	171.7	0	0	0	0	0	110.8	L515 S516	L515-G529 PolarHBondContact N-O 2.94Å; S516-G529 PolarHBondContact N-O 3.43Å; S516-G529 PolarHBondContact O-N 3.32Å; S516-G529 WeakPolarHBondContact OG-CA 3.2Å; S516-G529 PolarHBondContact OG-N 3.35Å
530	G	96.8	Very high	95	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	177	-178	0	0	0	0	0	114.5	H510 A513 D532 G533 S534 S566 V567	H510-G530 PolarHBondContact CE1-N 3.43Å; A513-G530 CarbonylContact O-C 3.58Å; A513-G530 VanDerWaalsContact O-CA 3.22Å; A513-G530 WeakPolarHBondContact O-CA 3.3Å; G530-D532 PolarHBondContact O-N 3.29Å; G530-G533 PolarHBondContact O-N 3.38Å; G530-S534 PolarHBondContact N-O 2.83Å; G530-S566 WeakPolarHBondContact O-CA 3.41Å; G530-V567 PolarHBondContact O-N 2.67Å
531	L	96.8	Very high	94.8	Very high	85 Å²	85	34.1 Å²	34.1	45%	0.445	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.3	171.6	-162.8	80	0	0	0	112	A513 L515 G533 S566 W568	A513-L531 HydrophobicContact CB-CB 4.22Å; A513-L531 PolarHBondContact O-N 3.19Å; L515-L531 HydrophobicContact CD1-CB 4.3Å; L515-L531 HydrophobicContact CD1-CD1 4.29Å; L531-G533 PolarHBondContact O-N 3.29Å; L531-S566 WeakPolarHBondContact CD1-OG 3.19Å; L531-W568 HydrophobicContact CD1-CH2 4.19Å
532	D	94.4	Very high	94.6	Very high	41 Å²	41	32.9 Å²	32.9	22%	0.219	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	15.8	177.2	65.9	-4.6	0	0	0	114.2	H510 S511 G530 S534 R536	H510-D532 WeakPolarHBondContact CA-OD2 3.24Å; H510-D532 IonicContact CE1-OD1 2.87Å; H510-D532 IonicContact CG-OD1 2.79Å; H510-D532 IonicContact CG-OD2 3.2Å; H510-D532 IonicContact ND1-OD1 3.53Å; H510-D532 PolarHBondContact ND1-OD1 3.07Å; H510-D532 IonicContact ND1-OD2 2.71Å; S511-D532 PolarHBondContact N-OD2 3.34Å; S511-D532 VanDerWaalsContact OG-CB 3.31Å; S511-D532 WeakPolarHBondContact OG-CB 3.49Å; S511-D532 PolarHBondContact OG-OD2 3.41Å; G530-D532 PolarHBondContact O-N 3.29Å; D532-S534 VanDerWaalsContact CG-OG 3.26Å; D532-S534 PolarHBondContact O-N 3.39Å; D532-S534 PolarHBondContact OD1-OG 3.34Å; D532-S534 PolarHBondContact OD2-OG 2.86Å; D532-R536 IonicContact OD1-NH1 3.48Å; D532-R536 PolarHBondContact OD1-NH1 3.45Å; D532-R536 IonicContact OD2-CZ 3.75Å; D532-R536 VanDerWaalsContact OD2-CZ 3.27Å; D532-R536 IonicContact OD2-NH1 3.18Å; D532-R536 PolarHBondContact OD2-NH1 3.4Å; D532-R536 IonicContact OD2-NH2 2.88Å; D532-R536 PolarHBondContact OD2-NH2 3.45Å
533	G	94.5	Very high	94.4	Very high	8 Å²	8	30 Å²	30	8%	0.082	15%	0.153	C	C	.	.	S	Bend	trans	65.9	-6.8	178.9	0	0	0	0	0	115.5	G530 L531 H563 D565 V567	G530-G533 PolarHBondContact O-N 3.38Å; L531-G533 PolarHBondContact O-N 3.29Å; G533-H563 VanDerWaalsContact O-CB 3.26Å; G533-H563 WeakPolarHBondContact O-CB 3.25Å; G533-D565 WeakPolarHBondContact CA-O 3.38Å; G533-V567 WeakPolarHBondContact O-CG2 3.44Å
534	S	94.9	Very high	94	Very high	7 Å²	7	35.9 Å²	35.9	5%	0.049	18%	0.184	C	C	.	.			trans	-95.1	146.9	-173.1	72	0	0	0	0	112.4	G530 D532 R536	G530-S534 PolarHBondContact N-O 2.83Å; D532-S534 VanDerWaalsContact CG-OG 3.26Å; D532-S534 PolarHBondContact O-N 3.39Å; D532-S534 PolarHBondContact OD1-OG 3.34Å; D532-S534 PolarHBondContact OD2-OG 2.86Å; S534-R536 PolarHBondContact OG-NH1 3.21Å
535	V	97.2	Very high	93.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.3	165.8	178.2	0	0	0	0	108.3	S528 L560 V567 L570	S528-V535 CarbonylContact O-C 3.49Å; S528-V535 VanDerWaalsContact O-CA 3.3Å; S528-V535 WeakPolarHBondContact O-CA 3.32Å; V535-L560 HydrophobicContact CB-CB 4.2Å; V535-L560 HydrophobicContact CB-CD1 4.49Å; V535-L560 HydrophobicContact CG1-CD1 4.1Å; V535-L560 HydrophobicContact CG1-CG 4.48Å; V535-L560 PolarHBondContact O-N 3.34Å; V535-V567 HydrophobicContact CG2-CG1 3.98Å; V535-V567 HydrophobicContact CG2-CG2 4.27Å; V535-L570 HydrophobicContact CG1-CD1 3.98Å; V535-L570 HydrophobicContact CG1-CD2 3.93Å; V535-L570 HydrophobicContact CG2-CD1 4.33Å
536	R	96.1	Very high	92.8	Very high	27 Å²	27	33.3 Å²	33.3	10%	0.102	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139.2	178.8	-68	-171.2	178.9	70.4	1.2	111.4	A509 H510 Y527 S528 D532 S534 W538 V559	A509-R536 PolarHBondContact O-NE 3.32Å; A509-R536 PolarHBondContact O-NH2 3.1Å; H510-R536 VanDerWaalsContact CA-NH1 3.33Å; H510-R536 PolarHBondContact CD2-NH1 3.42Å; H510-R536 PolarHBondContact CE1-NH1 2.83Å; H510-R536 PolarHBondContact ND1-NH1 2.92Å; H510-R536 PolarHBondContact NE2-NH1 2.99Å; Y527-R536 WeakPolarHBondContact CA-O 3.47Å; S528-R536 PolarHBondContact N-O 2.82Å; S528-R536 PolarHBondContact O-N 2.8Å; D532-R536 IonicContact OD1-NH1 3.48Å; D532-R536 PolarHBondContact OD1-NH1 3.45Å; D532-R536 IonicContact OD2-CZ 3.75Å; D532-R536 VanDerWaalsContact OD2-CZ 3.27Å; D532-R536 IonicContact OD2-NH1 3.18Å; D532-R536 PolarHBondContact OD2-NH1 3.4Å; D532-R536 IonicContact OD2-NH2 2.88Å; D532-R536 PolarHBondContact OD2-NH2 3.45Å; S534-R536 PolarHBondContact OG-NH1 3.21Å; R536-W538 HydrophobicContact CB-CZ2 4.09Å; R536-V559 HydrophobicContact CG-CG1 4.24Å; R536-V559 HydrophobicContact CG-CG2 4.23Å
537	C	96	Very high	91.9	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.5	175.2	-57.6	0	0	0	0	109.9	Y527 S557 S558 L560	Y527-C537 HydrophobicContact CD1-CB 3.9Å; Y527-C537 VanDerWaalsContact CD1-SG 3.55Å; Y527-C537 HydrophobicContact CE1-CB 3.9Å; C537-S557 PolarHBondContact O-N 2.81Å; C537-S558 VanDerWaalsContact CB-OG 3.28Å; C537-S558 WeakPolarHBondContact CB-OG 3.1Å; C537-S558 PolarHBondContact N-O 2.81Å; C537-S558 PolarHBondContact O-N 2.76Å; C537-L560 VanDerWaalsContact SG-CD2 3.57Å; C537-L560 VanDerWaalsContact SG-CG 3.56Å
538	W	95.9	Very high	91	Very high	2 Å²	2	45 Å²	45	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.7	-178	-47.8	93	0	0	0	110.5	L482 F507 A509 S525 C526 S528 R536 I555 Q556	L482-W538 HydrophobicContact CD1-CZ2 4.14Å; F507-W538 HydrophobicContact CB-CD2 4.44Å; F507-W538 HydrophobicContact CB-CE3 4.25Å; F507-W538 HydrophobicContact CB-CH2 3.85Å; F507-W538 HydrophobicContact CB-CZ2 4.11Å; F507-W538 HydrophobicContact CB-CZ3 3.95Å; F507-W538 HydrophobicContact CD1-CB 4.37Å; F507-W538 AromaticContact CD1-CD2 3.91Å; F507-W538 HydrophobicContact CD1-CD2 3.91Å; F507-W538 AromaticContact CD1-CE3 3.68Å; F507-W538 HydrophobicContact CD1-CE3 3.68Å; F507-W538 HydrophobicContact CD1-CG 4.26Å; F507-W538 HydrophobicContact CD1-CZ3 4.14Å; F507-W538 HydrophobicContact CE1-CB 4.26Å; F507-W538 HydrophobicContact CG-CD2 4.48Å; F507-W538 HydrophobicContact CG-CE3 4.39Å; A509-W538 HydrophobicContact CB-CH2 3.45Å; A509-W538 VanDerWaalsContact CB-CH2 3.45Å; A509-W538 HydrophobicContact CB-CZ2 4.16Å; A509-W538 HydrophobicContact CB-CZ3 4.27Å; S525-W538 CarbonylContact C-O 3.49Å; S525-W538 WeakPolarHBondContact CA-O 3.33Å; S525-W538 WeakPolarHBondContact CB-O 3.45Å; C526-W538 PolarHBondContact N-O 2.92Å; C526-W538 PolarHBondContact O-N 3.25Å; S528-W538 PolarHBondContact OG-NE1 2.96Å; R536-W538 HydrophobicContact CB-CZ2 4.09Å; W538-I555 CarbonylContact C-O 3.59Å; W538-I555 VanDerWaalsContact CA-O 3.29Å; W538-I555 WeakPolarHBondContact CA-O 3.45Å; W538-I555 HydrophobicContact CE3-CG2 4.36Å; W538-Q556 HydrophobicContact CE3-CB 3.92Å; W538-Q556 HydrophobicContact CE3-CG 4.16Å; W538-Q556 HydrophobicContact CZ3-CB 3.9Å; W538-Q556 HydrophobicContact CZ3-CG 4.12Å
539	K	94.8	Very high	90.2	Very high	94 Å²	94	49.8 Å²	49.8	41%	0.409	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	143.5	165.7	-66.7	175.5	-166.6	118.3	0	109.3	P541 G554 I555 S557	K539-P541 WeakPolarHBondContact O-CD 3.28Å; K539-G554 PolarHBondContact NZ-O 2.88Å; K539-I555 PolarHBondContact N-O 3.31Å; K539-S557 VanDerWaalsContact CE-OG 3.22Å; K539-S557 WeakPolarHBondContact CE-OG 3.4Å; K539-S557 PolarHBondContact NZ-OG 3.06Å; K539-S557 VanDerWaalsContact NZ-OG 3.11Å
540	M	92.4	Very high	89.5	Confident	36 Å²	36	57.3 Å²	57.3	18%	0.177	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-70.8	118.6	177.9	-177.2	61.7	-169.5	0	0	110.5	V472 L484 G523 E524 L543	V472-M540 HydrophobicContact CG1-CE 4.1Å; L484-M540 HydrophobicContact CD1-CE 3.71Å; L484-M540 HydrophobicContact CD1-SD 4.37Å; L484-M540 HydrophobicContact CD2-CE 3.88Å; L484-M540 HydrophobicContact CD2-SD 4.46Å; L484-M540 HydrophobicContact CG-CE 4.47Å; G523-M540 VanDerWaalsContact O-CB 3.24Å; G523-M540 WeakPolarHBondContact O-CB 3.45Å; G523-M540 WeakPolarHBondContact O-CG 3.26Å; E524-M540 WeakPolarHBondContact O-CB 3.44Å; E524-M540 PolarHBondContact O-N 2.97Å; M540-L543 HydrophobicContact CE-CD2 3.52Å
541	P	91.2	Very high	88.8	Confident	13 Å²	13	63.3 Å²	63.3	8%	0.084	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-75.7	158.2	175.8	31.9	-34.9	0	0	0	111.7	L484 Y505 F507 K539 L543 I555	L484-P541 HydrophobicContact CD2-CG 3.68Å; Y505-P541 HydrophobicContact CD1-CG 4.3Å; Y505-P541 HydrophobicContact CG-CG 4.12Å; F507-P541 HydrophobicContact CE1-CG 4.42Å; F507-P541 HydrophobicContact CZ-CG 4.17Å; K539-P541 WeakPolarHBondContact O-CD 3.28Å; P541-L543 PolarHBondContact O-N 3.36Å; P541-I555 HydrophobicContact CB-CD1 4Å
542	D	86.1	Confident	88.2	Confident	99 Å²	99	63.1 Å²	63.1	53%	0.529	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-61	133.5	176	-172.5	-27	0	0	0	110.7	N544 V545	D542-N544 PolarHBondContact O-N 2.9Å; D542-N544 WeakPolarHBondContact OD1-CB 3.22Å; D542-N544 PolarHBondContact OD1-N 2.99Å; D542-N544 PolarHBondContact OD1-ND2 2.8Å; D542-V545 HydrophobicContact CB-CG2 4.24Å; D542-V545 WeakPolarHBondContact O-CB 3.26Å; D542-V545 VanDerWaalsContact O-CG2 3.29Å; D542-V545 WeakPolarHBondContact O-CG2 3.32Å; D542-V545 PolarHBondContact O-N 2.84Å; D542-V545 VanDerWaalsContact O-N 3.11Å
543	L	86.7	Confident	87.7	Confident	22 Å²	22	65.3 Å²	65.3	12%	0.115	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-10.7	176.7	-58.6	-168.5	0	0	0	114.1	V472 K489 I504 M540 P541	V472-L543 HydrophobicContact CG1-CD2 4.35Å; V472-L543 HydrophobicContact CG2-CD1 3.66Å; V472-L543 HydrophobicContact CG2-CD2 3.79Å; V472-L543 HydrophobicContact CG2-CG 4.4Å; K489-L543 WeakPolarHBondContact CE-O 3.46Å; K489-L543 PolarHBondContact NZ-O 2.6Å; I504-L543 HydrophobicContact CD1-CB 4.17Å; I504-L543 HydrophobicContact CD1-CD2 3.63Å; I504-L543 HydrophobicContact CD1-CG 4.47Å; M540-L543 HydrophobicContact CE-CD2 3.52Å; P541-L543 PolarHBondContact O-N 3.36Å
544	N	83.9	Confident	87.3	Confident	127 Å²	127	66.6 Å²	66.6	68%	0.679	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	1.7	179.7	-56	-73.6	0	0	0	114	D542	D542-N544 PolarHBondContact O-N 2.9Å; D542-N544 WeakPolarHBondContact OD1-CB 3.22Å; D542-N544 PolarHBondContact OD1-N 2.99Å; D542-N544 PolarHBondContact OD1-ND2 2.8Å
545	V	83	Confident	87.2	Confident	36 Å²	36	67 Å²	67	22%	0.218	35%	0.348	C	S	.	.			trans	-52.7	141.5	167.1	167.5	0	0	0	0	110.4	Y505 D542 D549	Y505-V545 HydrophobicContact CD2-CG1 4.43Å; D542-V545 HydrophobicContact CB-CG2 4.24Å; D542-V545 WeakPolarHBondContact O-CB 3.26Å; D542-V545 VanDerWaalsContact O-CG2 3.29Å; D542-V545 WeakPolarHBondContact O-CG2 3.32Å; D542-V545 PolarHBondContact O-N 2.84Å; D542-V545 VanDerWaalsContact O-N 3.11Å; V545-D549 HydrophobicContact CG1-CB 4.19Å
546	D	78.3	Confident	86.9	Confident	85 Å²	85	69.6 Å²	69.6	46%	0.455	36%	0.36	S	S	.	.			trans	-77.8	131.1	171.7	-166.4	-55.7	0	0	0	108.9	Y548 D549	D546-Y548 PolarHBondContact O-N 3.43Å; D546-Y548 WeakPolarHBondContact OD1-CB 3.45Å; D546-Y548 WeakPolarHBondContact OD1-CD2 3.42Å; D546-Y548 PolarHBondContact OD1-N 3.47Å; D546-D549 HydrophobicContact CB-CB 4.46Å; D546-D549 WeakPolarHBondContact CB-OD2 3.44Å; D546-D549 PolarHBondContact N-OD2 2.9Å; D546-D549 WeakPolarHBondContact O-CB 3.2Å; D546-D549 PolarHBondContact O-N 2.87Å
547	P	77.8	Confident	86.6	Confident	69 Å²	69	71.2 Å²	71.2	45%	0.448	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-15	176.5	-26.1	35.5	0	0	0	115
548	Y	79	Confident	86.4	Confident	191 Å²	191	73 Å²	73	75%	0.749	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	9.1	176.6	-54.8	-82.5	0	0	0	113.8	D546	D546-Y548 PolarHBondContact O-N 3.43Å; D546-Y548 WeakPolarHBondContact OD1-CB 3.45Å; D546-Y548 WeakPolarHBondContact OD1-CD2 3.42Å; D546-Y548 PolarHBondContact OD1-N 3.47Å
549	D	81.2	Confident	86.3	Confident	100 Å²	100	75.1 Å²	75.1	54%	0.535	40%	0.401	S	S	.	.	S	Bend	trans	-61.2	154.8	169.9	-88.7	-43.7	0	0	0	111.8	V545 D546	V545-D549 HydrophobicContact CG1-CB 4.19Å; D546-D549 HydrophobicContact CB-CB 4.46Å; D546-D549 WeakPolarHBondContact CB-OD2 3.44Å; D546-D549 PolarHBondContact N-OD2 2.9Å; D546-D549 WeakPolarHBondContact O-CB 3.2Å; D546-D549 PolarHBondContact O-N 2.87Å
550	N	82.4	Confident	86.3	Confident	157 Å²	157	70.8 Å²	70.8	84%	0.84	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-64.4	147.3	176.6	-68.3	-60.2	0	0	0	111.3	D552	N550-D552 PolarHBondContact O-N 3.17Å
551	Y	83.2	Confident	86.2	Confident	126 Å²	126	74.8 Å²	74.8	49%	0.494	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-57	120.6	172.6	174.2	-98	0	0	0	111.5	P553	Y551-P553 HydrophobicContact CD1-CG 4.16Å; Y551-P553 HydrophobicContact CE1-CB 4.12Å; Y551-P553 HydrophobicContact CE1-CG 3.89Å; Y551-P553 WeakPolarHBondContact O-CD 3.24Å
552	D	83.6	Confident	86.1	Confident	82 Å²	82	75.8 Å²	75.8	44%	0.439	42%	0.418	S	S	.	.			trans	-93.6	113.5	170.6	176.4	20.5	0	0	0	110.6	N550 G554 I555	N550-D552 PolarHBondContact O-N 3.17Å; D552-G554 PolarHBondContact O-N 2.84Å; D552-G554 PolarHBondContact OD1-N 3.1Å; D552-I555 HydrophobicContact CB-CD1 4Å; D552-I555 HydrophobicContact CB-CG1 4.21Å; D552-I555 PolarHBondContact O-N 2.82Å
553	P	84.3	Confident	86.6	Confident	87 Å²	87	71.9 Å²	71.9	57%	0.565	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-61.2	-21.1	173.6	-20.5	32.6	0	0	0	114	Y551 I555 Q556	Y551-P553 HydrophobicContact CD1-CG 4.16Å; Y551-P553 HydrophobicContact CE1-CB 4.12Å; Y551-P553 HydrophobicContact CE1-CG 3.89Å; Y551-P553 WeakPolarHBondContact O-CD 3.24Å; P553-I555 PolarHBondContact O-N 2.8Å; P553-Q556 PolarHBondContact O-N 3.37Å
554	G	86.4	Confident	87	Confident	35 Å²	35	78.7 Å²	78.7	36%	0.361	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-67.3	-17.6	-179.9	0	0	0	0	0	114.9	K539 D552	K539-G554 PolarHBondContact NZ-O 2.88Å; D552-G554 PolarHBondContact O-N 2.84Å; D552-G554 PolarHBondContact OD1-N 3.1Å
555	I	91.2	Very high	87.6	Confident	16 Å²	16	76 Å²	76	8%	0.082	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-69.9	-35.4	177.2	-69.9	171.7	0	0	0	111.3	Y505 F507 W538 K539 P541 D552 P553	Y505-I555 HydrophobicContact CD2-CD1 4.44Å; Y505-I555 HydrophobicContact CE1-CD1 4.15Å; Y505-I555 HydrophobicContact CE1-CG2 4.1Å; Y505-I555 HydrophobicContact CE2-CD1 3.64Å; Y505-I555 VanDerWaalsContact CZ-CD1 3.48Å; Y505-I555 WeakPolarHBondContact OH-CD1 3.46Å; F507-I555 HydrophobicContact CD1-CG2 3.79Å; F507-I555 HydrophobicContact CE1-CG2 3.67Å; W538-I555 CarbonylContact C-O 3.59Å; W538-I555 VanDerWaalsContact CA-O 3.29Å; W538-I555 WeakPolarHBondContact CA-O 3.45Å; W538-I555 HydrophobicContact CE3-CG2 4.36Å; K539-I555 PolarHBondContact N-O 3.31Å; P541-I555 HydrophobicContact CB-CD1 4Å; D552-I555 HydrophobicContact CB-CD1 4Å; D552-I555 HydrophobicContact CB-CG1 4.21Å; D552-I555 PolarHBondContact O-N 2.82Å; P553-I555 PolarHBondContact O-N 2.8Å
556	Q	91.9	Very high	88.3	Confident	53 Å²	53	74.6 Å²	74.6	25%	0.248	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.3	168.5	-169.4	-179.3	-22	0	0	108.9	W538 P553	W538-Q556 HydrophobicContact CE3-CB 3.92Å; W538-Q556 HydrophobicContact CE3-CG 4.16Å; W538-Q556 HydrophobicContact CZ3-CB 3.9Å; W538-Q556 HydrophobicContact CZ3-CG 4.12Å; P553-Q556 PolarHBondContact O-N 3.37Å
557	S	89.4	Confident	89.2	Confident	61 Å²	61	70.6 Å²	70.6	43%	0.427	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-41.2	-173.8	-161.6	0	0	0	0	113.4	C537 K539	C537-S557 PolarHBondContact O-N 2.81Å; K539-S557 VanDerWaalsContact CE-OG 3.22Å; K539-S557 WeakPolarHBondContact CE-OG 3.4Å; K539-S557 PolarHBondContact NZ-OG 3.06Å; K539-S557 VanDerWaalsContact NZ-OG 3.11Å
558	S	91.5	Very high	90	Very high	42 Å²	42	72.8 Å²	72.8	29%	0.294	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	167.9	-176.7	44.8	0	0	0	0	110.8	C537	C537-S558 VanDerWaalsContact CB-OG 3.28Å; C537-S558 WeakPolarHBondContact CB-OG 3.1Å; C537-S558 PolarHBondContact N-O 2.81Å; C537-S558 PolarHBondContact O-N 2.76Å
559	V	93.9	Very high	90.8	Very high	46 Å²	46	64.2 Å²	64.2	28%	0.279	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.7	167.7	-169.1	0	0	0	0	107.1	R536 D561	R536-V559 HydrophobicContact CG-CG1 4.24Å; R536-V559 HydrophobicContact CG-CG2 4.23Å; V559-D561 VanDerWaalsContact CG1-OD1 3.29Å; V559-D561 WeakPolarHBondContact CG1-OD1 3.32Å
560	L	94.4	Very high	91.6	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.016	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	80.7	177.7	-43.1	-176	0	0	0	107.6	V535 C537 L579 W591 P593 P598	V535-L560 HydrophobicContact CB-CB 4.2Å; V535-L560 HydrophobicContact CB-CD1 4.49Å; V535-L560 HydrophobicContact CG1-CD1 4.1Å; V535-L560 HydrophobicContact CG1-CG 4.48Å; V535-L560 PolarHBondContact O-N 3.34Å; C537-L560 VanDerWaalsContact SG-CD2 3.57Å; C537-L560 VanDerWaalsContact SG-CG 3.56Å; L560-L579 HydrophobicContact CD1-CD1 3.85Å; L560-W591 HydrophobicContact CB-CD2 4.17Å; L560-W591 HydrophobicContact CB-CE3 3.68Å; L560-W591 HydrophobicContact CB-CH2 4.31Å; L560-W591 HydrophobicContact CB-CZ3 3.75Å; L560-W591 HydrophobicContact CD1-CB 3.99Å; L560-W591 HydrophobicContact CD1-CD2 4.2Å; L560-W591 HydrophobicContact CD1-CE3 4.32Å; L560-W591 HydrophobicContact CD1-CG 4.09Å; L560-W591 WeakPolarHBondContact O-CH2 3.36Å; L560-P593 HydrophobicContact CD1-CB 4.45Å; L560-P598 HydrophobicContact CD2-CB 3.75Å; L560-P598 HydrophobicContact CD2-CG 3.98Å
561	D	90.8	Very high	92.2	Very high	120 Å²	120	54.1 Å²	54.1	64%	0.642	30%	0.299	S	S	*	.			trans	-72.5	141.5	-179.6	-61.3	-50.5	0	0	0	111	V559	V559-D561 VanDerWaalsContact CG1-OD1 3.29Å; V559-D561 WeakPolarHBondContact CG1-OD1 3.32Å
562	G	89.9	Confident	92.8	Very high	35 Å²	35	49.4 Å²	49.4	36%	0.361	28%	0.281	S	S	.	.			trans	158.7	-30.7	168.9	0	0	0	0	0	115.5	R589	G562-R589 VanDerWaalsContact C-CZ 3.48Å; G562-R589 PolarHBondContact O-NH1 3.38Å; G562-R589 PolarHBondContact O-NH2 2.63Å
563	H	95.9	Very high	93.3	Very high	17 Å²	17	45.9 Å²	45.9	8%	0.079	26%	0.263	C	S	.	.			trans	-66	144.6	171	-86.4	-60	0	0	0	110.4	G533 V567 S581 S583 D585 T587 R589 W591	G533-H563 VanDerWaalsContact O-CB 3.26Å; G533-H563 WeakPolarHBondContact O-CB 3.25Å; H563-V567 HydrophobicContact CB-CG2 4.13Å; H563-S581 PolarHBondContact CD2-OG 3.13Å; H563-S581 PolarHBondContact NE2-OG 3.34Å; H563-S583 WeakPolarHBondContact CE1-CB 3.29Å; H563-S583 WeakPolarHBondContact ND1-CB 3.11Å; H563-D585 VanDerWaalsContact CA-OD2 3.27Å; H563-D585 WeakPolarHBondContact CA-OD2 3.22Å; H563-D585 IonicContact CE1-OD1 3.1Å; H563-D585 IonicContact CE1-OD2 2.74Å; H563-D585 IonicContact CG-OD2 3.79Å; H563-D585 VanDerWaalsContact ND1-CG 3.29Å; H563-D585 IonicContact ND1-OD1 3.42Å; H563-D585 PolarHBondContact ND1-OD1 3.13Å; H563-D585 VanDerWaalsContact ND1-OD1 3.15Å; H563-D585 IonicContact ND1-OD2 3.33Å; H563-D585 PolarHBondContact ND1-OD2 2.89Å; H563-T587 PolarHBondContact CE1-O 3.48Å; H563-T587 PolarHBondContact CE1-OG1 3.39Å; H563-T587 VanDerWaalsContact CE1-OG1 3.29Å; H563-T587 PolarHBondContact ND1-OG1 3.15Å; H563-R589 VanDerWaalsContact CE1-CG 3.49Å; H563-R589 WeakPolarHBondContact CE1-CG 3.14Å; H563-R589 PolarHBondContact ND1-NE 3.2Å; H563-W591 AromaticContact CD2-CZ2 3.83Å
564	E	95.7	Very high	93.5	Very high	164 Å²	164	43.5 Å²	43.5	77%	0.766	25%	0.248	S	C	*	.	S	Bend	trans	-97.3	-7	-176.7	-59.9	-179	171.8	0	0	113	D585	E564-D585 HydrophobicContact CB-CB 3.96Å; E564-D585 PolarHBondContact N-OD2 3.01Å
565	D	95.9	Very high	93.7	Very high	70 Å²	70	46.2 Å²	46.2	37%	0.374	26%	0.257	S	S	.	.	S	Bend	trans	-153.8	164.4	-177.6	-157.5	-24	0	0	0	110.7	G533 S583 A584 D585	G533-D565 WeakPolarHBondContact CA-O 3.38Å; D565-S583 PolarHBondContact O-OG 3.48Å; D565-A584 HydrophobicContact CB-CB 3.89Å; D565-A584 VanDerWaalsContact CG-CB 3.44Å; D565-A584 WeakPolarHBondContact OD2-CB 3.35Å; D565-D585 HydrophobicContact CB-CB 4.11Å
566	S	96.9	Very high	93.5	Very high	8 Å²	8	48.4 Å²	48.4	6%	0.056	27%	0.267	C	S	.	.			trans	-17.2	122.2	167.7	-47.9	0	0	0	0	116.4	G530 L531 W568 S583 A584	G530-S566 WeakPolarHBondContact O-CA 3.41Å; L531-S566 WeakPolarHBondContact CD1-OG 3.19Å; S566-W568 VanDerWaalsContact CB-CE2 3.48Å; S566-W568 PolarHBondContact O-NE1 3.48Å; S566-S583 CarbonylContact O-C 3.47Å; S566-S583 WeakPolarHBondContact O-CA 3.43Å; S566-S583 WeakPolarHBondContact O-CB 3.35Å; S566-S583 PolarHBondContact O-OG 3.07Å; S566-A584 PolarHBondContact O-N 2.85Å
567	V	97.8	Very high	93.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.			trans	-101.8	87.2	-177.6	-173.3	0	0	0	0	111.6	S516 G530 G533 V535 H563 G569	S516-V567 PolarHBondContact OG-O 2.78Å; G530-V567 PolarHBondContact O-N 2.67Å; G533-V567 WeakPolarHBondContact O-CG2 3.44Å; V535-V567 HydrophobicContact CG2-CG1 3.98Å; V535-V567 HydrophobicContact CG2-CG2 4.27Å; H563-V567 HydrophobicContact CB-CG2 4.13Å; V567-G569 PolarHBondContact O-N 2.97Å
568	W	95.4	Very high	93.7	Very high	116 Å²	116	50.3 Å²	50.3	44%	0.439	27%	0.267	S	S	.	.			trans	-71.7	-25.4	-173.9	-49.3	97.4	0	0	0	114.8	L515 L531 S566 C582	L515-W568 HydrophobicContact CB-CE3 4.5Å; L515-W568 HydrophobicContact CD1-CD2 3.97Å; L515-W568 HydrophobicContact CD1-CE3 3.64Å; L515-W568 HydrophobicContact CD1-CH2 4.09Å; L515-W568 HydrophobicContact CD1-CZ2 4.4Å; L515-W568 HydrophobicContact CD1-CZ3 3.7Å; L515-W568 HydrophobicContact CD2-CE3 4.01Å; L515-W568 HydrophobicContact CD2-CZ3 3.72Å; L515-W568 HydrophobicContact CG-CE3 4.26Å; L515-W568 HydrophobicContact CG-CZ3 4.3Å; L531-W568 HydrophobicContact CD1-CH2 4.19Å; S566-W568 VanDerWaalsContact CB-CE2 3.48Å; S566-W568 PolarHBondContact O-NE1 3.48Å; W568-C582 PolarHBondContact N-O 3.33Å
569	G	95.3	Very high	94	Very high	11 Å²	11	48.3 Å²	48.3	11%	0.113	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	140.1	-177.9	0	0	0	0	0	112.6	V567 S581 C582	V567-G569 PolarHBondContact O-N 2.97Å; G569-S581 CarbonylContact O-C 3.59Å; G569-S581 VanDerWaalsContact O-CA 3.24Å; G569-S581 WeakPolarHBondContact O-CA 3.47Å; G569-C582 VanDerWaalsContact CA-SG 3.54Å; G569-C582 PolarHBondContact N-O 2.84Å; G569-C582 PolarHBondContact O-N 2.82Å
570	L	97.2	Very high	94.1	Very high	16 Å²	16	46.2 Å²	46.2	8%	0.084	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	130.4	-177.7	-175.4	66.7	0	0	0	109.4	S516 T518 Y527 V535 L579 A580	S516-L570 WeakPolarHBondContact OG-CB 3.37Å; T518-L570 HydrophobicContact CG2-CD2 4.12Å; T518-L570 HydrophobicContact CG2-CG 3.87Å; Y527-L570 WeakPolarHBondContact O-CD2 3.02Å; V535-L570 HydrophobicContact CG1-CD1 3.98Å; V535-L570 HydrophobicContact CG1-CD2 3.93Å; V535-L570 HydrophobicContact CG2-CD1 4.33Å; L570-L579 HydrophobicContact CD1-CB 4.37Å; L570-L579 HydrophobicContact CD1-CD2 4.26Å; L570-L579 HydrophobicContact CG-CD2 4.49Å; L570-A580 WeakPolarHBondContact CA-O 3.41Å
571	T	96.3	Very high	94.2	Very high	28 Å²	28	46.1 Å²	46.1	17%	0.172	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.2	-176.6	-173	0	0	0	0	110.9	L579 A580 V615 F617	T571-L579 CarbonylContact O-C 3.54Å; T571-L579 VanDerWaalsContact O-CA 3.28Å; T571-L579 WeakPolarHBondContact O-CA 3.46Å; T571-A580 HydrophobicContact CG2-CB 3.86Å; T571-A580 PolarHBondContact N-O 2.88Å; T571-A580 PolarHBondContact O-N 3.46Å; T571-V615 HydrophobicContact CG2-CG1 4.12Å; T571-V615 HydrophobicContact CG2-CG2 4.29Å; T571-F617 HydrophobicContact CG2-CD2 3.72Å; T571-F617 HydrophobicContact CG2-CE2 3.78Å
572	Y	95.6	Very high	94.5	Very high	28 Å²	28	40.4 Å²	40.4	11%	0.11	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.8	-176.6	-179.2	-96.1	0	0	0	111.3	Y527 H577 L579	Y527-Y572 HydrophobicContact CE2-CD2 4.09Å; Y527-Y572 HydrophobicContact CE2-CE2 4.25Å; Y572-H577 WeakPolarHBondContact OH-CA 3.03Å; Y572-H577 PolarHBondContact OH-ND1 3.46Å; Y572-L579 HydrophobicContact CD2-CD2 3.82Å; Y572-L579 HydrophobicContact CD2-CG 4.22Å; Y572-L579 HydrophobicContact CG-CD2 4.41Å
573	S	94.4	Very high	94.9	Very high	7 Å²	7	38.7 Å²	38.7	5%	0.049	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.2	173.1	175.3	0	0	0	0	109.7	H576 H577 R578 F617	S573-H576 PolarHBondContact OG-N 3.11Å; S573-H577 VanDerWaalsContact O-CA 3.22Å; S573-H577 WeakPolarHBondContact O-CA 3.48Å; S573-H577 PolarHBondContact O-N 3.28Å; S573-R578 PolarHBondContact N-O 2.88Å; S573-R578 PolarHBondContact O-N 3.41Å; S573-F617 VanDerWaalsContact N-CE2 3.34Å
574	S	87.9	Confident	94.9	Very high	37 Å²	37	38.9 Å²	38.9	26%	0.259	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-42.9	172.6	44	0	0	0	0	112.7	E521 H576 H577	E521-S574 WeakPolarHBondContact OE1-CB 3.29Å; E521-S574 PolarHBondContact OE1-OG 3.35Å; E521-S574 WeakPolarHBondContact OE2-CB 3.46Å; S574-H576 PolarHBondContact O-N 2.78Å; S574-H577 PolarHBondContact O-CE1 3.27Å; S574-H577 VanDerWaalsContact O-CE1 3.3Å; S574-H577 PolarHBondContact O-N 2.9Å; S574-H577 PolarHBondContact O-ND1 2.95Å
575	V	89.6	Confident	94.8	Very high	92 Å²	92	31.2 Å²	31.2	56%	0.558	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-26.1	-174.5	-173.2	0	0	0	0	113.3	P622	V575-P622 HydrophobicContact CB-CB 3.79Å; V575-P622 HydrophobicContact CB-CG 4.26Å; V575-P622 HydrophobicContact CG1-CB 3.93Å; V575-P622 HydrophobicContact CG1-CG 3.86Å; V575-P622 HydrophobicContact CG2-CB 3.99Å; V575-P622 HydrophobicContact CG2-CG 4.4Å
576	H	88.7	Confident	94.8	Very high	62 Å²	62	27.9 Å²	27.9	29%	0.287	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-3.8	-178.2	-63.6	-34.6	0	0	0	114.1	S573 S574 R578 P622	S573-H576 PolarHBondContact OG-N 3.11Å; S574-H576 PolarHBondContact O-N 2.78Å; H576-R578 HydrophobicContact CB-CB 4.43Å; H576-R578 HydrophobicContact CB-CG 4.14Å; H576-R578 PolarHBondContact O-N 3.43Å; H576-P622 PolarHBondContact CD2-O 2.89Å; H576-P622 PolarHBondContact NE2-O 3.48Å
577	H	92.1	Very high	94.7	Very high	91 Å²	91	28.1 Å²	28.1	42%	0.421	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	31.8	-171.2	-54.7	-59.9	0	0	0	114.5	Y572 S573 S574	Y572-H577 WeakPolarHBondContact OH-CA 3.03Å; Y572-H577 PolarHBondContact OH-ND1 3.46Å; S573-H577 VanDerWaalsContact O-CA 3.22Å; S573-H577 WeakPolarHBondContact O-CA 3.48Å; S573-H577 PolarHBondContact O-N 3.28Å; S574-H577 PolarHBondContact O-CE1 3.27Å; S574-H577 VanDerWaalsContact O-CE1 3.3Å; S574-H577 PolarHBondContact O-N 2.9Å; S574-H577 PolarHBondContact O-ND1 2.95Å
578	R	93.3	Very high	94.6	Very high	64 Å²	64	28.2 Å²	28.2	24%	0.242	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	154.8	-176.6	-70	177.7	-164.4	176.5	3.7	112.3	S573 H576 L590 W591 M600	S573-R578 PolarHBondContact N-O 2.88Å; S573-R578 PolarHBondContact O-N 3.41Å; H576-R578 HydrophobicContact CB-CB 4.43Å; H576-R578 HydrophobicContact CB-CG 4.14Å; H576-R578 PolarHBondContact O-N 3.43Å; R578-L590 HydrophobicContact CB-CD1 4.19Å; R578-W591 CarbonylContact C-O 3.58Å; R578-W591 VanDerWaalsContact CA-O 3.23Å; R578-W591 WeakPolarHBondContact CA-O 3.35Å; R578-W591 VanDerWaalsContact CB-O 3.31Å; R578-W591 WeakPolarHBondContact CB-O 3.42Å; R578-M600 HydrophobicContact CG-SD 4.25Å; R578-M600 PolarHBondContact NE-SD 2.98Å; R578-M600 VanDerWaalsContact NE-SD 3.42Å
579	L	96	Very high	94.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	148.7	168.5	-66.5	159.8	0	0	0	110.3	T518 Y527 L560 L570 T571 Y572 L590 W591 P593	T518-L579 HydrophobicContact CG2-CD2 3.63Å; Y527-L579 HydrophobicContact CD1-CD1 3.57Å; Y527-L579 HydrophobicContact CD2-CD1 4.22Å; Y527-L579 HydrophobicContact CD2-CD2 3.72Å; Y527-L579 HydrophobicContact CD2-CG 4.45Å; Y527-L579 HydrophobicContact CE1-CD1 3.92Å; Y527-L579 HydrophobicContact CE2-CD2 4.26Å; Y527-L579 HydrophobicContact CG-CD1 3.72Å; Y527-L579 HydrophobicContact CG-CD2 3.86Å; Y527-L579 HydrophobicContact CG-CG 4.38Å; L560-L579 HydrophobicContact CD1-CD1 3.85Å; L570-L579 HydrophobicContact CD1-CB 4.37Å; L570-L579 HydrophobicContact CD1-CD2 4.26Å; L570-L579 HydrophobicContact CG-CD2 4.49Å; T571-L579 CarbonylContact O-C 3.54Å; T571-L579 VanDerWaalsContact O-CA 3.28Å; T571-L579 WeakPolarHBondContact O-CA 3.46Å; Y572-L579 HydrophobicContact CD2-CD2 3.82Å; Y572-L579 HydrophobicContact CD2-CG 4.22Å; Y572-L579 HydrophobicContact CG-CD2 4.41Å; L579-L590 CarbonylContact O-C 3.53Å; L579-L590 WeakPolarHBondContact O-CA 3.34Å; L579-W591 HydrophobicContact CB-CB 4.25Å; L579-W591 PolarHBondContact N-O 3.25Å; L579-W591 PolarHBondContact O-N 3.15Å; L579-P593 HydrophobicContact CD1-CB 4.25Å; L579-P593 HydrophobicContact CD1-CG 4.18Å
580	A	96.9	Very high	94.7	Very high	2 Å²	2	23.6 Å²	23.6	2%	0.017	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.1	161.3	0	0	0	0	0	109.7	L570 T571 R589 L590 V615 F617 V625	L570-A580 WeakPolarHBondContact CA-O 3.41Å; T571-A580 HydrophobicContact CG2-CB 3.86Å; T571-A580 PolarHBondContact N-O 2.88Å; T571-A580 PolarHBondContact O-N 3.46Å; A580-R589 CarbonylContact C-O 3.5Å; A580-R589 VanDerWaalsContact CA-O 3.3Å; A580-R589 WeakPolarHBondContact CA-O 3.3Å; A580-L590 HydrophobicContact CB-CD1 4.41Å; A580-V615 HydrophobicContact CB-CG2 3.93Å; A580-F617 HydrophobicContact CB-CE1 4.39Å; A580-F617 HydrophobicContact CB-CE2 3.89Å; A580-F617 HydrophobicContact CB-CZ 3.68Å; A580-V625 HydrophobicContact CB-CG1 4.42Å
581	S	97.5	Very high	94.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	150.4	179.3	60.9	0	0	0	0	112.4	H563 G569 I588 R589 W591	H563-S581 PolarHBondContact CD2-OG 3.13Å; H563-S581 PolarHBondContact NE2-OG 3.34Å; G569-S581 CarbonylContact O-C 3.59Å; G569-S581 VanDerWaalsContact O-CA 3.24Å; G569-S581 WeakPolarHBondContact O-CA 3.47Å; S581-I588 CarbonylContact O-C 3.58Å; S581-I588 VanDerWaalsContact O-CA 3.27Å; S581-I588 WeakPolarHBondContact O-CA 3.45Å; S581-I588 VanDerWaalsContact O-CG2 3.29Å; S581-I588 WeakPolarHBondContact O-CG2 3.41Å; S581-R589 PolarHBondContact N-O 3.2Å; S581-R589 PolarHBondContact O-N 2.85Å; S581-W591 PolarHBondContact OG-NE1 3.44Å
582	C	96.8	Very high	94.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.5	173.1	61.2	0	0	0	0	111.3	W568 G569 I588 P612 V615	W568-C582 PolarHBondContact N-O 3.33Å; G569-C582 VanDerWaalsContact CA-SG 3.54Å; G569-C582 PolarHBondContact N-O 2.84Å; G569-C582 PolarHBondContact O-N 2.82Å; C582-I588 HydrophobicContact CB-CG1 4.45Å; C582-P612 HydrophobicContact CB-CB 3.81Å; C582-P612 HydrophobicContact CB-CG 3.9Å; C582-V615 HydrophobicContact CB-CB 4.45Å; C582-V615 HydrophobicContact CB-CG1 4.09Å
583	S	97.3	Very high	94.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.			trans	-140	158	-168.4	165.1	0	0	0	0	112.8	H563 D565 S566 D585 G586 T587	H563-S583 WeakPolarHBondContact CE1-CB 3.29Å; H563-S583 WeakPolarHBondContact ND1-CB 3.11Å; D565-S583 PolarHBondContact O-OG 3.48Å; S566-S583 CarbonylContact O-C 3.47Å; S566-S583 WeakPolarHBondContact O-CA 3.43Å; S566-S583 WeakPolarHBondContact O-CB 3.35Å; S566-S583 PolarHBondContact O-OG 3.07Å; S583-D585 WeakPolarHBondContact CB-OD1 3.21Å; S583-D585 PolarHBondContact O-N 3.47Å; S583-D585 PolarHBondContact OG-N 3.45Å; S583-D585 PolarHBondContact OG-OD1 3.35Å; S583-G586 PolarHBondContact O-N 3.29Å; S583-G586 VanDerWaalsContact O-N 3.14Å; S583-T587 PolarHBondContact N-O 2.9Å
584	A	96.1	Very high	94	Very high	20 Å²	20	30.4 Å²	30.4	17%	0.165	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-12.7	166.4	0	0	0	0	0	113.8	D565 S566 G586 R607	D565-A584 HydrophobicContact CB-CB 3.89Å; D565-A584 VanDerWaalsContact CG-CB 3.44Å; D565-A584 WeakPolarHBondContact OD2-CB 3.35Å; S566-A584 PolarHBondContact O-N 2.85Å; A584-G586 PolarHBondContact O-N 3.07Å; A584-R607 PolarHBondContact O-NH1 3.26Å
585	D	94.9	Very high	94	Very high	4 Å²	4	32 Å²	32	2%	0.021	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	2	170.2	83	-3	0	0	0	113.5	H563 E564 D565 S583 T587 R589 R607	H563-D585 VanDerWaalsContact CA-OD2 3.27Å; H563-D585 WeakPolarHBondContact CA-OD2 3.22Å; H563-D585 IonicContact CE1-OD1 3.1Å; H563-D585 IonicContact CE1-OD2 2.74Å; H563-D585 IonicContact CG-OD2 3.79Å; H563-D585 VanDerWaalsContact ND1-CG 3.29Å; H563-D585 IonicContact ND1-OD1 3.42Å; H563-D585 PolarHBondContact ND1-OD1 3.13Å; H563-D585 VanDerWaalsContact ND1-OD1 3.15Å; H563-D585 IonicContact ND1-OD2 3.33Å; H563-D585 PolarHBondContact ND1-OD2 2.89Å; E564-D585 HydrophobicContact CB-CB 3.96Å; E564-D585 PolarHBondContact N-OD2 3.01Å; D565-D585 HydrophobicContact CB-CB 4.11Å; S583-D585 WeakPolarHBondContact CB-OD1 3.21Å; S583-D585 PolarHBondContact O-N 3.47Å; S583-D585 PolarHBondContact OG-N 3.45Å; S583-D585 PolarHBondContact OG-OD1 3.35Å; D585-T587 VanDerWaalsContact CG-OG1 3.24Å; D585-T587 PolarHBondContact O-N 3.37Å; D585-T587 WeakPolarHBondContact OD1-CA 3.4Å; D585-T587 VanDerWaalsContact OD1-CB 3.29Å; D585-T587 WeakPolarHBondContact OD1-CB 3.24Å; D585-T587 PolarHBondContact OD1-N 3.06Å; D585-T587 PolarHBondContact OD1-OG1 3.14Å; D585-T587 PolarHBondContact OD2-OG1 3.26Å; D585-R589 IonicContact OD2-CZ 3.67Å; D585-R589 IonicContact OD2-NE 3.73Å; D585-R589 IonicContact OD2-NH2 3.15Å; D585-R589 PolarHBondContact OD2-NH2 3.45Å; D585-R607 VanDerWaalsContact C-NH2 3.3Å; D585-R607 PolarHBondContact O-NE 2.83Å; D585-R607 PolarHBondContact O-NH2 3.48Å
586	G	94.1	Very high	93.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	79.5	-12	179.5	0	0	0	0	0	113.5	S583 A584 N604 P612	S583-G586 PolarHBondContact O-N 3.29Å; S583-G586 VanDerWaalsContact O-N 3.14Å; A584-G586 PolarHBondContact O-N 3.07Å; G586-N604 PolarHBondContact O-ND2 3.16Å; G586-P612 VanDerWaalsContact C-CD 3.49Å; G586-P612 VanDerWaalsContact O-CD 3.28Å; G586-P612 WeakPolarHBondContact O-CD 3.44Å
587	T	95.9	Very high	93.8	Very high	12 Å²	12	34.3 Å²	34.3	7%	0.074	19%	0.189	C	C	.	.			trans	-93.5	152.9	-174.5	74	0	0	0	0	112.5	H563 S583 D585 R589 V602 F603	H563-T587 PolarHBondContact CE1-O 3.48Å; H563-T587 PolarHBondContact CE1-OG1 3.39Å; H563-T587 VanDerWaalsContact CE1-OG1 3.29Å; H563-T587 PolarHBondContact ND1-OG1 3.15Å; S583-T587 PolarHBondContact N-O 2.9Å; D585-T587 VanDerWaalsContact CG-OG1 3.24Å; D585-T587 PolarHBondContact O-N 3.37Å; D585-T587 WeakPolarHBondContact OD1-CA 3.4Å; D585-T587 VanDerWaalsContact OD1-CB 3.29Å; D585-T587 WeakPolarHBondContact OD1-CB 3.24Å; D585-T587 PolarHBondContact OD1-N 3.06Å; D585-T587 PolarHBondContact OD1-OG1 3.14Å; D585-T587 PolarHBondContact OD2-OG1 3.26Å; T587-R589 PolarHBondContact OG1-NE 3.37Å; T587-V602 HydrophobicContact CG2-CG1 3.95Å; T587-F603 WeakPolarHBondContact CA-O 3.43Å
588	I	96	Very high	93.7	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137.2	162.8	-50.7	91.7	0	0	0	106.5	S581 C582 V602 F603 N604 P612 V615 V627 F629	S581-I588 CarbonylContact O-C 3.58Å; S581-I588 VanDerWaalsContact O-CA 3.27Å; S581-I588 WeakPolarHBondContact O-CA 3.45Å; S581-I588 VanDerWaalsContact O-CG2 3.29Å; S581-I588 WeakPolarHBondContact O-CG2 3.41Å; C582-I588 HydrophobicContact CB-CG1 4.45Å; I588-V602 CarbonylContact O-C 3.55Å; I588-V602 WeakPolarHBondContact O-CA 3.21Å; I588-F603 HydrophobicContact CB-CB 4.23Å; I588-F603 HydrophobicContact CB-CD2 4.18Å; I588-F603 HydrophobicContact CD1-CB 4.25Å; I588-F603 HydrophobicContact CG2-CD2 4.38Å; I588-F603 PolarHBondContact N-O 2.8Å; I588-F603 WeakPolarHBondContact O-CD2 3.46Å; I588-F603 PolarHBondContact O-N 3.11Å; I588-N604 HydrophobicContact CD1-CB 3.82Å; I588-P612 HydrophobicContact CD1-CB 3.89Å; I588-P612 HydrophobicContact CD1-CG 4.01Å; I588-P612 HydrophobicContact CG1-CB 3.74Å; I588-P612 HydrophobicContact CG1-CG 3.89Å; I588-V615 HydrophobicContact CG2-CG2 4.18Å; I588-V627 HydrophobicContact CD1-CG1 3.89Å; I588-V627 HydrophobicContact CG1-CG1 3.73Å; I588-V627 HydrophobicContact CG1-CG2 4.07Å; I588-V627 HydrophobicContact CG2-CG2 4.24Å; I588-F629 HydrophobicContact CD1-CE1 3.95Å; I588-F629 HydrophobicContact CD1-CZ 3.83Å
589	R	95.9	Very high	93.7	Very high	30 Å²	30	30.6 Å²	30.6	11%	0.113	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.6	-176.7	-60.2	-169.8	-173.5	-151.1	17	111.4	G562 H563 A580 S581 D585 T587 W591 S601 V602	G562-R589 VanDerWaalsContact C-CZ 3.48Å; G562-R589 PolarHBondContact O-NH1 3.38Å; G562-R589 PolarHBondContact O-NH2 2.63Å; H563-R589 VanDerWaalsContact CE1-CG 3.49Å; H563-R589 WeakPolarHBondContact CE1-CG 3.14Å; H563-R589 PolarHBondContact ND1-NE 3.2Å; A580-R589 CarbonylContact C-O 3.5Å; A580-R589 VanDerWaalsContact CA-O 3.3Å; A580-R589 WeakPolarHBondContact CA-O 3.3Å; S581-R589 PolarHBondContact N-O 3.2Å; S581-R589 PolarHBondContact O-N 2.85Å; D585-R589 IonicContact OD2-CZ 3.67Å; D585-R589 IonicContact OD2-NE 3.73Å; D585-R589 IonicContact OD2-NH2 3.15Å; D585-R589 PolarHBondContact OD2-NH2 3.45Å; T587-R589 PolarHBondContact OG1-NE 3.37Å; R589-W591 HydrophobicContact CB-CZ2 3.72Å; R589-W591 HydrophobicContact CG-CZ2 4.29Å; R589-W591 PolarHBondContact O-NE1 3.35Å; R589-S601 WeakPolarHBondContact CA-O 3.32Å; R589-V602 HydrophobicContact CG-CB 4.45Å; R589-V602 HydrophobicContact CG-CG1 4.11Å; R589-V602 HydrophobicContact CG-CG2 4.01Å
590	L	96.2	Very high	93.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132	171.8	-169.7	75.6	0	0	0	108.8	R578 L579 A580 M600 S601 F603 F617 L639	R578-L590 HydrophobicContact CB-CD1 4.19Å; L579-L590 CarbonylContact O-C 3.53Å; L579-L590 WeakPolarHBondContact O-CA 3.34Å; A580-L590 HydrophobicContact CB-CD1 4.41Å; L590-M600 HydrophobicContact CD2-CB 4.43Å; L590-M600 HydrophobicContact CD2-SD 4.35Å; L590-M600 PolarHBondContact O-N 2.88Å; L590-S601 PolarHBondContact N-O 3.31Å; L590-S601 PolarHBondContact O-N 2.91Å; L590-F603 HydrophobicContact CB-CE2 4.26Å; L590-F617 HydrophobicContact CD1-CE1 4.02Å; L590-F617 HydrophobicContact CD1-CZ 3.97Å; L590-L639 HydrophobicContact CD1-CD1 4.29Å; L590-L639 HydrophobicContact CD1-CD2 3.99Å; L590-L639 HydrophobicContact CD2-CD2 4.14Å
591	W	96	Very high	93.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.1	-177.3	-41.6	80	0	0	0	112.7	L560 H563 R578 L579 S581 R589 P598 C599	L560-W591 HydrophobicContact CB-CD2 4.17Å; L560-W591 HydrophobicContact CB-CE3 3.68Å; L560-W591 HydrophobicContact CB-CH2 4.31Å; L560-W591 HydrophobicContact CB-CZ3 3.75Å; L560-W591 HydrophobicContact CD1-CB 3.99Å; L560-W591 HydrophobicContact CD1-CD2 4.2Å; L560-W591 HydrophobicContact CD1-CE3 4.32Å; L560-W591 HydrophobicContact CD1-CG 4.09Å; L560-W591 WeakPolarHBondContact O-CH2 3.36Å; H563-W591 AromaticContact CD2-CZ2 3.83Å; R578-W591 CarbonylContact C-O 3.58Å; R578-W591 VanDerWaalsContact CA-O 3.23Å; R578-W591 WeakPolarHBondContact CA-O 3.35Å; R578-W591 VanDerWaalsContact CB-O 3.31Å; R578-W591 WeakPolarHBondContact CB-O 3.42Å; L579-W591 HydrophobicContact CB-CB 4.25Å; L579-W591 PolarHBondContact N-O 3.25Å; L579-W591 PolarHBondContact O-N 3.15Å; S581-W591 PolarHBondContact OG-NE1 3.44Å; R589-W591 HydrophobicContact CB-CZ2 3.72Å; R589-W591 HydrophobicContact CG-CZ2 4.29Å; R589-W591 PolarHBondContact O-NE1 3.35Å; W591-P598 CarbonylContact C-O 3.58Å; W591-P598 WeakPolarHBondContact CA-O 3.25Å; W591-P598 HydrophobicContact CE3-CB 4.34Å; W591-C599 HydrophobicContact CD2-CB 4.5Å; W591-C599 HydrophobicContact CE3-CB 3.63Å; W591-C599 HydrophobicContact CH2-CB 4.36Å; W591-C599 HydrophobicContact CZ3-CB 3.56Å
592	D	94.2	Very high	93.1	Very high	43 Å²	43	36 Å²	36	23%	0.23	21%	0.211	C	C	.	.			trans	-107.3	101.1	163.4	178	-14.3	0	0	0	108	Q594 N595 P598 M600	D592-Q594 PolarHBondContact O-N 2.77Å; D592-Q594 PolarHBondContact OD1-N 3.46Å; D592-N595 HydrophobicContact CB-CB 3.9Å; D592-N595 PolarHBondContact O-N 3.1Å; D592-N595 PolarHBondContact OD1-N 2.87Å; D592-P598 PolarHBondContact N-O 3.17Å; D592-P598 WeakPolarHBondContact O-CA 3.2Å; D592-P598 WeakPolarHBondContact O-CB 3.45Å; D592-M600 HydrophobicContact CB-CG 4.03Å; D592-M600 HydrophobicContact CB-SD 3.79Å
593	P	90.7	Very high	92.9	Very high	19 Å²	19	36.4 Å²	36.4	12%	0.123	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-7.8	-176.2	29.6	-34.9	0	0	0	113.8	Y527 L560 L579	Y527-P593 HydrophobicContact CE1-CB 3.82Å; Y527-P593 HydrophobicContact CE1-CG 4.06Å; L560-P593 HydrophobicContact CD1-CB 4.45Å; L579-P593 HydrophobicContact CD1-CB 4.25Å; L579-P593 HydrophobicContact CD1-CG 4.18Å
594	Q	88.1	Confident	92.6	Very high	159 Å²	159	36.7 Å²	36.7	74%	0.743	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-12.3	176	-58	-171.2	3	0	0	112.4	D592	D592-Q594 PolarHBondContact O-N 2.77Å; D592-Q594 PolarHBondContact OD1-N 3.46Å
595	N	88.6	Confident	92.1	Very high	71 Å²	71	42 Å²	42	38%	0.38	23%	0.233	S	C	.	.	S	Bend	trans	-90	145.1	-175.7	-167.5	-15.8	0	0	0	112.4	D592 S597	D592-N595 HydrophobicContact CB-CB 3.9Å; D592-N595 PolarHBondContact O-N 3.1Å; D592-N595 PolarHBondContact OD1-N 2.87Å; N595-S597 PolarHBondContact O-N 2.76Å; N595-S597 PolarHBondContact OD1-N 2.98Å; N595-S597 VanDerWaalsContact OD1-N 3.17Å
596	S	84.1	Confident	91.7	Very high	126 Å²	126	50.4 Å²	50.4	88%	0.881	27%	0.272	S	S	*	.	S	Bend	trans	-67.2	-18.3	174.9	-175.2	0	0	0	0	113.5
597	S	88.4	Confident	91.3	Very high	77 Å²	77	56.4 Å²	56.4	54%	0.538	30%	0.295	S	S	.	.	S	Bend	trans	-119.5	89.9	166.7	57.2	0	0	0	0	107.7	N595	N595-S597 PolarHBondContact O-N 2.76Å; N595-S597 PolarHBondContact OD1-N 2.98Å; N595-S597 VanDerWaalsContact OD1-N 3.17Å
598	P	90.9	Very high	90.9	Very high	31 Å²	31	62.3 Å²	62.3	20%	0.201	32%	0.321	C	S	.	.			trans	-75.9	-34.2	-163.5	26.6	-34.6	0	0	0	113.5	L560 W591 D592 M600	L560-P598 HydrophobicContact CD2-CB 3.75Å; L560-P598 HydrophobicContact CD2-CG 3.98Å; W591-P598 CarbonylContact C-O 3.58Å; W591-P598 WeakPolarHBondContact CA-O 3.25Å; W591-P598 HydrophobicContact CE3-CB 4.34Å; D592-P598 PolarHBondContact N-O 3.17Å; D592-P598 WeakPolarHBondContact O-CA 3.2Å; D592-P598 WeakPolarHBondContact O-CB 3.45Å; P598-M600 PolarHBondContact O-N 2.95Å
599	C	93.1	Very high	90.4	Very high	45 Å²	45	63.9 Å²	63.9	30%	0.304	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	114.3	177.3	-160.7	0	0	0	0	109.7	W591	W591-C599 HydrophobicContact CD2-CB 4.5Å; W591-C599 HydrophobicContact CE3-CB 3.63Å; W591-C599 HydrophobicContact CH2-CB 4.36Å; W591-C599 HydrophobicContact CZ3-CB 3.56Å
600	M	91.9	Very high	90.1	Very high	78 Å²	78	63.5 Å²	63.5	38%	0.384	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-52.2	-178.9	-60	-167.9	73.5	0	0	111.8	R578 L590 D592 P598	R578-M600 HydrophobicContact CG-SD 4.25Å; R578-M600 PolarHBondContact NE-SD 2.98Å; R578-M600 VanDerWaalsContact NE-SD 3.42Å; L590-M600 HydrophobicContact CD2-CB 4.43Å; L590-M600 HydrophobicContact CD2-SD 4.35Å; L590-M600 PolarHBondContact O-N 2.88Å; D592-M600 HydrophobicContact CB-CG 4.03Å; D592-M600 HydrophobicContact CB-SD 3.79Å; P598-M600 PolarHBondContact O-N 2.95Å
601	S	91.9	Very high	90	Very high	12 Å²	12	65.4 Å²	65.4	8%	0.084	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	147.3	-168.1	-58.2	0	0	0	0	109.9	R589 L590 E642	R589-S601 WeakPolarHBondContact CA-O 3.32Å; L590-S601 PolarHBondContact N-O 3.31Å; L590-S601 PolarHBondContact O-N 2.91Å; S601-E642 WeakPolarHBondContact CB-OE1 3.47Å; S601-E642 PolarHBondContact OG-OE1 2.9Å
602	V	93.9	Very high	90	Very high	27 Å²	27	65.4 Å²	65.4	16%	0.164	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	119.2	-179.4	-177.9	0	0	0	0	109	T587 I588 R589 K605	T587-V602 HydrophobicContact CG2-CG1 3.95Å; I588-V602 CarbonylContact O-C 3.55Å; I588-V602 WeakPolarHBondContact O-CA 3.21Å; R589-V602 HydrophobicContact CG-CB 4.45Å; R589-V602 HydrophobicContact CG-CG1 4.11Å; R589-V602 HydrophobicContact CG-CG2 4.01Å; V602-K605 HydrophobicContact CB-CG 4.45Å; V602-K605 HydrophobicContact CG1-CG 4.01Å; V602-K605 VanDerWaalsContact O-CE 3.29Å; V602-K605 WeakPolarHBondContact O-CE 3.41Å; V602-K605 PolarHBondContact O-NZ 3.33Å
603	F	91.9	Very high	90	Very high	8 Å²	8	65.2 Å²	65.2	4%	0.035	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	163.5	-177.2	-47.2	-100	0	0	0	111	T587 I588 L590 K605 Y637 L639 E642	T587-F603 WeakPolarHBondContact CA-O 3.43Å; I588-F603 HydrophobicContact CB-CB 4.23Å; I588-F603 HydrophobicContact CB-CD2 4.18Å; I588-F603 HydrophobicContact CD1-CB 4.25Å; I588-F603 HydrophobicContact CG2-CD2 4.38Å; I588-F603 PolarHBondContact N-O 2.8Å; I588-F603 WeakPolarHBondContact O-CD2 3.46Å; I588-F603 PolarHBondContact O-N 3.11Å; L590-F603 HydrophobicContact CB-CE2 4.26Å; F603-K605 PolarHBondContact O-N 2.84Å; F603-Y637 HydrophobicContact CB-CD1 4.44Å; F603-Y637 HydrophobicContact CB-CE1 4.2Å; F603-Y637 AromaticContact CD1-CD1 3.58Å; F603-Y637 HydrophobicContact CD1-CD1 3.58Å; F603-Y637 HydrophobicContact CD1-CE1 4.13Å; F603-Y637 HydrophobicContact CD1-CG 4.04Å; F603-Y637 HydrophobicContact CE1-CD1 4.23Å; F603-Y637 HydrophobicContact CE1-CG 4.43Å; F603-Y637 HydrophobicContact CG-CD1 4.34Å; F603-L639 HydrophobicContact CE2-CD2 4.38Å; F603-L639 HydrophobicContact CZ-CD2 3.78Å; F603-E642 HydrophobicContact CE1-CB 4.34Å
604	N	91.5	Very high	90.3	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.027	35%	0.345	C	S	.	.			trans	53.5	35.6	-178.7	-164.8	42.6	0	0	0	114	G586 I588 E606 R607 E608 H609 G610 F629	G586-N604 PolarHBondContact O-ND2 3.16Å; I588-N604 HydrophobicContact CD1-CB 3.82Å; N604-E606 PolarHBondContact O-N 3.06Å; N604-R607 PolarHBondContact O-N 2.7Å; N604-E608 WeakPolarHBondContact OD1-CG 3.48Å; N604-E608 PolarHBondContact OD1-N 2.89Å; N604-E608 VanDerWaalsContact OD1-N 3.08Å; N604-H609 PolarHBondContact OD1-N 3.36Å; N604-H609 VanDerWaalsContact OD1-N 3.14Å; N604-G610 PolarHBondContact ND2-O 2.97Å; N604-F629 HydrophobicContact CB-CE1 4.33Å
605	K	86.4	Confident	90.7	Very high	133 Å²	133	57.8 Å²	57.8	58%	0.578	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.6	-176.3	-69.5	177.3	174.1	99.6	0	113.9	V602 F603 R607	V602-K605 HydrophobicContact CB-CG 4.45Å; V602-K605 HydrophobicContact CG1-CG 4.01Å; V602-K605 VanDerWaalsContact O-CE 3.29Å; V602-K605 WeakPolarHBondContact O-CE 3.41Å; V602-K605 PolarHBondContact O-NZ 3.33Å; F603-K605 PolarHBondContact O-N 2.84Å; K605-R607 VanDerWaalsContact C-N 3.34Å
606	E	86.1	Confident	91.1	Very high	180 Å²	180	54.9 Å²	54.9	84%	0.841	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	5.2	179.8	-57.7	-167.8	-177	0	0	112.8	N604 E608	N604-E606 PolarHBondContact O-N 3.06Å; E606-E608 PolarHBondContact O-N 2.7Å
607	R	86.4	Confident	91.7	Very high	125 Å²	125	49.8 Å²	49.8	47%	0.472	26%	0.26	S	S	.	.			trans	52.9	29.7	-174.1	-52.8	-166.7	-174.6	-163.9	5.7	114.2	A584 D585 N604 K605 H609 G610	A584-R607 PolarHBondContact O-NH1 3.26Å; D585-R607 VanDerWaalsContact C-NH2 3.3Å; D585-R607 PolarHBondContact O-NE 2.83Å; D585-R607 PolarHBondContact O-NH2 3.48Å; N604-R607 PolarHBondContact O-N 2.7Å; K605-R607 VanDerWaalsContact C-N 3.34Å; R607-H609 PolarHBondContact O-N 3.48Å; R607-G610 PolarHBondContact O-N 3.37Å; R607-G610 VanDerWaalsContact O-N 3.08Å
608	E	86.4	Confident	92	Very high	136 Å²	136	46.3 Å²	46.3	64%	0.636	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.4	-176.8	51.4	179.4	160.5	0	0	113.7	N604 E606	N604-E608 WeakPolarHBondContact OD1-CG 3.48Å; N604-E608 PolarHBondContact OD1-N 2.89Å; N604-E608 VanDerWaalsContact OD1-N 3.08Å; E606-E608 PolarHBondContact O-N 2.7Å
609	H	84.8	Confident	92	Very high	35 Å²	35	48.9 Å²	48.9	16%	0.162	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	6.9	179.4	-64.9	-68.2	0	0	0	114.5	N604 R607 F629 S631 E633 L635	N604-H609 PolarHBondContact OD1-N 3.36Å; N604-H609 VanDerWaalsContact OD1-N 3.14Å; R607-H609 PolarHBondContact O-N 3.48Å; H609-F629 HydrophobicContact CB-CD1 3.85Å; H609-F629 HydrophobicContact CB-CD2 4.17Å; H609-F629 HydrophobicContact CB-CE1 3.83Å; H609-F629 HydrophobicContact CB-CE2 4.16Å; H609-F629 HydrophobicContact CB-CG 4.04Å; H609-F629 HydrophobicContact CB-CZ 3.98Å; H609-F629 WeakPolarHBondContact O-CB 3.24Å; H609-S631 WeakPolarHBondContact O-CB 3.34Å; H609-S631 PolarHBondContact O-OG 2.83Å; H609-E633 IonicContact CE1-OE2 3.56Å; H609-E633 IonicContact CG-OE2 3.78Å; H609-E633 IonicContact ND1-OE2 2.74Å; H609-E633 PolarHBondContact ND1-OE2 3.39Å; H609-L635 HydrophobicContact CB-CD1 4.33Å; H609-L635 WeakPolarHBondContact CD2-CD1 3.28Å; H609-L635 WeakPolarHBondContact NE2-CD1 3.4Å
610	G	90.4	Very high	91.9	Very high	22 Å²	22	49.6 Å²	49.6	23%	0.227	25%	0.254	C	S	.	.			trans	86.7	-149.8	-173.8	0	0	0	0	0	113.3	N604 R607 D630	N604-G610 PolarHBondContact ND2-O 2.97Å; R607-G610 PolarHBondContact O-N 3.37Å; R607-G610 VanDerWaalsContact O-N 3.08Å; G610-D630 WeakPolarHBondContact CA-OD1 3.34Å
611	T	94.2	Very high	91.9	Very high	41 Å²	41	48.3 Å²	48.3	25%	0.252	25%	0.248	S	C	.	.			trans	-97	126.6	-177	-37.7	0	0	0	0	110.9	T613 F629 D630	T611-T613 PolarHBondContact O-N 2.81Å; T611-F629 CarbonylContact O-C 3.54Å; T611-F629 VanDerWaalsContact O-CA 3.3Å; T611-F629 WeakPolarHBondContact O-CA 3.36Å; T611-D630 WeakPolarHBondContact CB-OD2 3.33Å; T611-D630 VanDerWaalsContact N-CG 3.29Å; T611-D630 PolarHBondContact N-OD1 3.49Å; T611-D630 PolarHBondContact N-OD2 3.49Å; T611-D630 PolarHBondContact O-N 3.43Å; T611-D630 PolarHBondContact OG1-OD2 2.9Å
612	P	95.7	Very high	91.7	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	118.2	-179.3	30.2	-33.5	0	0	0	111.3	C582 G586 I588 V627 S628 F629	C582-P612 HydrophobicContact CB-CB 3.81Å; C582-P612 HydrophobicContact CB-CG 3.9Å; G586-P612 VanDerWaalsContact C-CD 3.49Å; G586-P612 VanDerWaalsContact O-CD 3.28Å; G586-P612 WeakPolarHBondContact O-CD 3.44Å; I588-P612 HydrophobicContact CD1-CB 3.89Å; I588-P612 HydrophobicContact CD1-CG 4.01Å; I588-P612 HydrophobicContact CG1-CB 3.74Å; I588-P612 HydrophobicContact CG1-CG 3.89Å; P612-V627 HydrophobicContact CB-CG1 3.78Å; P612-S628 CarbonylContact C-O 3.52Å; P612-S628 WeakPolarHBondContact CA-O 3.34Å; P612-F629 HydrophobicContact CB-CD1 3.97Å; P612-F629 HydrophobicContact CB-CE1 3.78Å; P612-F629 HydrophobicContact CB-CZ 4.46Å; P612-F629 HydrophobicContact CG-CE1 4.46Å
613	T	95	Very high	91.6	Very high	39 Å²	39	50.7 Å²	50.7	24%	0.239	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-31.2	-177.3	58.2	0	0	0	0	113	T611 S628 D630 I659	T611-T613 PolarHBondContact O-N 2.81Å; T613-S628 PolarHBondContact N-O 3.4Å; T613-S628 PolarHBondContact OG1-O 3.48Å; T613-S628 PolarHBondContact OG1-OG 2.96Å; T613-D630 HydrophobicContact CG2-CB 4.23Å; T613-I659 WeakPolarHBondContact CB-O 3.32Å; T613-I659 PolarHBondContact OG1-O 2.98Å
614	S	96.1	Very high	91.7	Very high	12 Å²	12	52.1 Å²	52.1	8%	0.084	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	152	-175.5	-159.5	0	0	0	0	112.3	V627 S628 R661 V662	S614-V627 WeakPolarHBondContact O-CA 3.38Å; S614-S628 VanDerWaalsContact CB-OG 3.3Å; S614-S628 WeakPolarHBondContact CB-OG 3.37Å; S614-S628 PolarHBondContact N-OG 3.4Å; S614-S628 PolarHBondContact O-N 2.98Å; S614-R661 WeakPolarHBondContact OG-CG 3.29Å; S614-V662 PolarHBondContact OG-N 3.48Å
615	V	97.2	Very high	91.9	Very high	10 Å²	10	52 Å²	52	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.1	179.7	58.1	0	0	0	0	111	T571 A580 C582 I588 V625 V626 V627	T571-V615 HydrophobicContact CG2-CG1 4.12Å; T571-V615 HydrophobicContact CG2-CG2 4.29Å; A580-V615 HydrophobicContact CB-CG2 3.93Å; C582-V615 HydrophobicContact CB-CB 4.45Å; C582-V615 HydrophobicContact CB-CG1 4.09Å; I588-V615 HydrophobicContact CG2-CG2 4.18Å; V615-V625 HydrophobicContact CG2-CB 4.39Å; V615-V626 WeakPolarHBondContact CA-O 3.45Å; V615-V627 HydrophobicContact CB-CG2 4.41Å; V615-V627 HydrophobicContact CG2-CG2 4.03Å
616	A	96.4	Very high	92.4	Very high	10 Å²	10	45.6 Å²	45.6	8%	0.083	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.7	173.5	0	0	0	0	0	111	V625 V626 V662	A616-V625 CarbonylContact O-C 3.55Å; A616-V625 WeakPolarHBondContact O-CA 3.49Å; A616-V626 HydrophobicContact CB-CG1 3.94Å; A616-V626 PolarHBondContact N-O 2.86Å; A616-V626 PolarHBondContact O-N 3.39Å; A616-V662 HydrophobicContact CB-CG1 4.31Å
617	F	96.1	Very high	92.9	Very high	19 Å²	19	37 Å²	37	8%	0.083	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	145.7	165.6	-70	-80.3	0	0	0	110.5	T571 S573 A580 L590 T619 V625 L639 S664	T571-F617 HydrophobicContact CG2-CD2 3.72Å; T571-F617 HydrophobicContact CG2-CE2 3.78Å; S573-F617 VanDerWaalsContact N-CE2 3.34Å; A580-F617 HydrophobicContact CB-CE1 4.39Å; A580-F617 HydrophobicContact CB-CE2 3.89Å; A580-F617 HydrophobicContact CB-CZ 3.68Å; L590-F617 HydrophobicContact CD1-CE1 4.02Å; L590-F617 HydrophobicContact CD1-CZ 3.97Å; F617-T619 PolarHBondContact O-N 3.42Å; F617-V625 HydrophobicContact CD1-CG1 3.35Å; F617-V625 HydrophobicContact CE1-CG1 3.52Å; F617-V625 HydrophobicContact CG-CG1 4.03Å; F617-V625 HydrophobicContact CZ-CG1 4.32Å; F617-L639 HydrophobicContact CD1-CD1 4.18Å; F617-L639 HydrophobicContact CE1-CD1 3.79Å; F617-S664 VanDerWaalsContact O-CB 3.3Å; F617-S664 WeakPolarHBondContact O-CB 3.27Å
618	V	95.1	Very high	93.3	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.018	18%	0.177	C	C	.	.			trans	-84.9	109.1	175.7	-179	0	0	0	0	109.1	T620 D621 Q624 V626 L636	V618-T620 PolarHBondContact O-N 3.34Å; V618-T620 VanDerWaalsContact O-N 3.13Å; V618-D621 CarbonylContact O-C 3.59Å; V618-D621 PolarHBondContact O-N 2.89Å; V618-D621 VanDerWaalsContact O-N 3.1Å; V618-Q624 HydrophobicContact CB-CB 4.07Å; V618-Q624 HydrophobicContact CG2-CB 3.86Å; V618-Q624 PolarHBondContact N-O 2.98Å; V618-V626 HydrophobicContact CG2-CB 4.42Å; V618-L636 HydrophobicContact CG2-CD2 3.52Å
619	T	90.6	Very high	93.6	Very high	85 Å²	85	24.6 Å²	24.6	52%	0.521	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.4	-172.7	-39.5	0	0	0	0	113.2	F617 S664 P666	F617-T619 PolarHBondContact O-N 3.42Å; T619-S664 PolarHBondContact N-OG 3.42Å; T619-S664 VanDerWaalsContact N-OG 3.16Å; T619-P666 HydrophobicContact CG2-CB 4.32Å
620	T	91.6	Very high	93.9	Very high	60 Å²	60	25.8 Å²	25.8	37%	0.368	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-10.5	179.6	54.7	0	0	0	0	115	V618 E668 P669	V618-T620 PolarHBondContact O-N 3.34Å; V618-T620 VanDerWaalsContact O-N 3.13Å; T620-E668 WeakPolarHBondContact CG2-O 3.37Å; T620-P669 WeakPolarHBondContact OG1-CA 3.49Å
621	D	92.1	Very high	93.7	Very high	52 Å²	52	26.8 Å²	26.8	28%	0.278	16%	0.158	S	C	.	.			trans	-147	96.8	166.5	-176.1	3.3	0	0	0	109.2	V618 N623 Q624	V618-D621 CarbonylContact O-C 3.59Å; V618-D621 PolarHBondContact O-N 2.89Å; V618-D621 VanDerWaalsContact O-N 3.1Å; D621-N623 PolarHBondContact O-N 3Å; D621-N623 WeakPolarHBondContact OD1-CB 3.34Å; D621-N623 PolarHBondContact OD1-N 2.84Å; D621-N623 PolarHBondContact OD1-ND2 3.43Å; D621-Q624 HydrophobicContact CB-CG 4.44Å; D621-Q624 PolarHBondContact O-N 3.32Å; D621-Q624 PolarHBondContact OD2-NE2 3.18Å
622	P	88.1	Confident	93.3	Very high	35 Å²	35	24.9 Å²	24.9	23%	0.227	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10	-171.7	29.3	-36.8	0	0	0	113.7	V575 H576 Q624	V575-P622 HydrophobicContact CB-CB 3.79Å; V575-P622 HydrophobicContact CB-CG 4.26Å; V575-P622 HydrophobicContact CG1-CB 3.93Å; V575-P622 HydrophobicContact CG1-CG 3.86Å; V575-P622 HydrophobicContact CG2-CB 3.99Å; V575-P622 HydrophobicContact CG2-CG 4.4Å; H576-P622 PolarHBondContact CD2-O 2.89Å; H576-P622 PolarHBondContact NE2-O 3.48Å; P622-Q624 PolarHBondContact O-N 3.24Å
623	N	92	Very high	93	Very high	54 Å²	54	28.1 Å²	28.1	29%	0.289	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-7.8	171.6	-59.6	-80.5	0	0	0	113.1	D621 L639 N640	D621-N623 PolarHBondContact O-N 3Å; D621-N623 WeakPolarHBondContact OD1-CB 3.34Å; D621-N623 PolarHBondContact OD1-N 2.84Å; D621-N623 PolarHBondContact OD1-ND2 3.43Å; N623-L639 WeakPolarHBondContact O-CB 3.5Å; N623-L639 VanDerWaalsContact O-CG 3.23Å; N623-L639 WeakPolarHBondContact O-CG 3.33Å; N623-L639 PolarHBondContact O-N 3.39Å; N623-N640 WeakPolarHBondContact CB-ND2 3.19Å; N623-N640 PolarHBondContact OD1-ND2 3.28Å
624	Q	94.1	Very high	92.9	Very high	37 Å²	37	26.2 Å²	26.2	17%	0.173	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143.2	-176.1	-62.1	-176.4	41.5	0	0	112.3	V618 D621 P622 Y637	V618-Q624 HydrophobicContact CB-CB 4.07Å; V618-Q624 HydrophobicContact CG2-CB 3.86Å; V618-Q624 PolarHBondContact N-O 2.98Å; D621-Q624 HydrophobicContact CB-CG 4.44Å; D621-Q624 PolarHBondContact O-N 3.32Å; D621-Q624 PolarHBondContact OD2-NE2 3.18Å; P622-Q624 PolarHBondContact O-N 3.24Å; Q624-Y637 VanDerWaalsContact CA-O 3.31Å; Q624-Y637 WeakPolarHBondContact CA-O 3.34Å
625	V	95.8	Very high	92.8	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.8	164.5	-70.4	0	0	0	0	109.8	A580 V615 A616 F617 V627 L636 Y637 L639	A580-V625 HydrophobicContact CB-CG1 4.42Å; V615-V625 HydrophobicContact CG2-CB 4.39Å; A616-V625 CarbonylContact O-C 3.55Å; A616-V625 WeakPolarHBondContact O-CA 3.49Å; F617-V625 HydrophobicContact CD1-CG1 3.35Å; F617-V625 HydrophobicContact CE1-CG1 3.52Å; F617-V625 HydrophobicContact CG-CG1 4.03Å; F617-V625 HydrophobicContact CZ-CG1 4.32Å; V625-V627 HydrophobicContact CG2-CG2 4.44Å; V625-L636 WeakPolarHBondContact O-CA 3.44Å; V625-Y637 PolarHBondContact N-O 3.48Å; V625-Y637 PolarHBondContact O-N 3.01Å; V625-L639 HydrophobicContact CB-CD2 4.48Å; V625-L639 HydrophobicContact CG1-CD1 4.25Å; V625-L639 HydrophobicContact CG1-CD2 3.94Å; V625-L639 HydrophobicContact CG1-CG 4.42Å; V625-L639 HydrophobicContact CG2-CD2 3.8Å
626	V	96.5	Very high	92.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.4	168.3	65	0	0	0	0	109.1	V615 A616 V618 T634 L635 L636 L648 V662	V615-V626 WeakPolarHBondContact CA-O 3.45Å; A616-V626 HydrophobicContact CB-CG1 3.94Å; A616-V626 PolarHBondContact N-O 2.86Å; A616-V626 PolarHBondContact O-N 3.39Å; V618-V626 HydrophobicContact CG2-CB 4.42Å; V626-T634 HydrophobicContact CG2-CG2 3.49Å; V626-T634 VanDerWaalsContact CG2-CG2 3.49Å; V626-L635 WeakPolarHBondContact CA-O 3.13Å; V626-L636 HydrophobicContact CB-CD2 3.77Å; V626-L636 HydrophobicContact CG2-CD2 4.22Å; V626-L648 HydrophobicContact CG2-CD1 3.94Å; V626-V662 HydrophobicContact CB-CG2 4.37Å; V626-V662 HydrophobicContact CG1-CB 4.46Å; V626-V662 HydrophobicContact CG1-CG1 3.98Å; V626-V662 HydrophobicContact CG1-CG2 3.61Å; V626-V662 HydrophobicContact CG2-CG2 3.84Å
627	V	95.9	Very high	92.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.8	-177.9	-178.9	0	0	0	0	109.1	I588 P612 S614 V615 V625 F629 T634 L635 Y637	I588-V627 HydrophobicContact CD1-CG1 3.89Å; I588-V627 HydrophobicContact CG1-CG1 3.73Å; I588-V627 HydrophobicContact CG1-CG2 4.07Å; I588-V627 HydrophobicContact CG2-CG2 4.24Å; P612-V627 HydrophobicContact CB-CG1 3.78Å; S614-V627 WeakPolarHBondContact O-CA 3.38Å; V615-V627 HydrophobicContact CB-CG2 4.41Å; V615-V627 HydrophobicContact CG2-CG2 4.03Å; V625-V627 HydrophobicContact CG2-CG2 4.44Å; V627-F629 HydrophobicContact CB-CE2 3.99Å; V627-F629 HydrophobicContact CB-CZ 4.23Å; V627-F629 HydrophobicContact CG1-CD2 4.24Å; V627-F629 HydrophobicContact CG1-CE1 4.16Å; V627-F629 HydrophobicContact CG1-CE2 3.57Å; V627-F629 HydrophobicContact CG1-CZ 3.53Å; V627-T634 CarbonylContact O-C 3.55Å; V627-T634 VanDerWaalsContact O-CA 3.23Å; V627-T634 WeakPolarHBondContact O-CA 3.4Å; V627-T634 WeakPolarHBondContact O-CG2 3.43Å; V627-L635 PolarHBondContact N-O 3.43Å; V627-L635 PolarHBondContact O-N 2.95Å; V627-Y637 HydrophobicContact CB-CD2 4.43Å; V627-Y637 HydrophobicContact CB-CE2 4.27Å; V627-Y637 HydrophobicContact CG2-CD2 4Å; V627-Y637 HydrophobicContact CG2-CE2 4.2Å
628	S	94.5	Very high	92.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	151.1	170	61.6	0	0	0	0	111.8	P612 T613 S614 T634	P612-S628 CarbonylContact C-O 3.52Å; P612-S628 WeakPolarHBondContact CA-O 3.34Å; T613-S628 PolarHBondContact N-O 3.4Å; T613-S628 PolarHBondContact OG1-O 3.48Å; T613-S628 PolarHBondContact OG1-OG 2.96Å; S614-S628 VanDerWaalsContact CB-OG 3.3Å; S614-S628 WeakPolarHBondContact CB-OG 3.37Å; S614-S628 PolarHBondContact N-OG 3.4Å; S614-S628 PolarHBondContact O-N 2.98Å; S628-T634 WeakPolarHBondContact CB-OG1 3.42Å
629	F	93.3	Very high	92.3	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	161	-176.8	-63.4	-93.5	0	0	0	112.7	I588 N604 H609 T611 P612 V627 S631 G632 E633 L635 Y637	I588-F629 HydrophobicContact CD1-CE1 3.95Å; I588-F629 HydrophobicContact CD1-CZ 3.83Å; N604-F629 HydrophobicContact CB-CE1 4.33Å; H609-F629 HydrophobicContact CB-CD1 3.85Å; H609-F629 HydrophobicContact CB-CD2 4.17Å; H609-F629 HydrophobicContact CB-CE1 3.83Å; H609-F629 HydrophobicContact CB-CE2 4.16Å; H609-F629 HydrophobicContact CB-CG 4.04Å; H609-F629 HydrophobicContact CB-CZ 3.98Å; H609-F629 WeakPolarHBondContact O-CB 3.24Å; T611-F629 CarbonylContact O-C 3.54Å; T611-F629 VanDerWaalsContact O-CA 3.3Å; T611-F629 WeakPolarHBondContact O-CA 3.36Å; P612-F629 HydrophobicContact CB-CD1 3.97Å; P612-F629 HydrophobicContact CB-CE1 3.78Å; P612-F629 HydrophobicContact CB-CZ 4.46Å; P612-F629 HydrophobicContact CG-CE1 4.46Å; V627-F629 HydrophobicContact CB-CE2 3.99Å; V627-F629 HydrophobicContact CB-CZ 4.23Å; V627-F629 HydrophobicContact CG1-CD2 4.24Å; V627-F629 HydrophobicContact CG1-CE1 4.16Å; V627-F629 HydrophobicContact CG1-CE2 3.57Å; V627-F629 HydrophobicContact CG1-CZ 3.53Å; F629-S631 VanDerWaalsContact C-N 3.26Å; F629-S631 VanDerWaalsContact CB-OG 3.29Å; F629-S631 WeakPolarHBondContact CB-OG 3.49Å; F629-S631 PolarHBondContact O-N 2.99Å; F629-G632 PolarHBondContact O-N 3.48Å; F629-E633 PolarHBondContact N-O 2.93Å; F629-L635 HydrophobicContact CD2-CD1 4.48Å; F629-L635 HydrophobicContact CD2-CG 4.49Å; F629-L635 HydrophobicContact CE2-CB 4.31Å; F629-L635 HydrophobicContact CE2-CD1 3.76Å; F629-L635 HydrophobicContact CE2-CG 3.98Å; F629-L635 HydrophobicContact CZ-CD1 4.34Å; F629-Y637 HydrophobicContact CE2-CE2 4.42Å; F629-Y637 HydrophobicContact CZ-CE2 4.25Å
630	D	90.6	Very high	92.2	Very high	59 Å²	59	27.3 Å²	27.3	32%	0.316	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.8	174.2	61.5	-3.9	0	0	0	113.1	G610 T611 T613 G632 L658	G610-D630 WeakPolarHBondContact CA-OD1 3.34Å; T611-D630 WeakPolarHBondContact CB-OD2 3.33Å; T611-D630 VanDerWaalsContact N-CG 3.29Å; T611-D630 PolarHBondContact N-OD1 3.49Å; T611-D630 PolarHBondContact N-OD2 3.49Å; T611-D630 PolarHBondContact O-N 3.43Å; T611-D630 PolarHBondContact OG1-OD2 2.9Å; T613-D630 HydrophobicContact CG2-CB 4.23Å; D630-G632 PolarHBondContact O-N 3.34Å; D630-G632 VanDerWaalsContact O-N 3.12Å; D630-L658 HydrophobicContact CB-CD2 4.14Å
631	S	87.4	Confident	92.1	Very high	43 Å²	43	28.1 Å²	28.1	30%	0.301	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-6.3	166.6	61.7	0	0	0	0	114.5	H609 F629 E633	H609-S631 WeakPolarHBondContact O-CB 3.34Å; H609-S631 PolarHBondContact O-OG 2.83Å; F629-S631 VanDerWaalsContact C-N 3.26Å; F629-S631 VanDerWaalsContact CB-OG 3.29Å; F629-S631 WeakPolarHBondContact CB-OG 3.49Å; F629-S631 PolarHBondContact O-N 2.99Å; S631-E633 PolarHBondContact O-N 3.36Å
632	G	84.9	Confident	91.8	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.021	16%	0.161	C	C	.	.	S	Bend	trans	72.1	8.2	-176.4	0	0	0	0	0	114.7	F629 D630 T650 E657	F629-G632 PolarHBondContact O-N 3.48Å; D630-G632 PolarHBondContact O-N 3.34Å; D630-G632 VanDerWaalsContact O-N 3.12Å; G632-T650 VanDerWaalsContact O-CB 3.3Å; G632-T650 WeakPolarHBondContact O-CB 3.25Å; G632-T650 PolarHBondContact O-OG1 2.95Å; G632-E657 WeakPolarHBondContact CA-O 3.36Å
633	E	89.4	Confident	91.8	Very high	68 Å²	68	34.5 Å²	34.5	32%	0.318	18%	0.18	S	C	.	.			trans	-77.2	153.2	167.1	-61	-162.5	137.9	0	0	110.6	H609 F629 S631	H609-E633 IonicContact CE1-OE2 3.56Å; H609-E633 IonicContact CG-OE2 3.78Å; H609-E633 IonicContact ND1-OE2 2.74Å; H609-E633 PolarHBondContact ND1-OE2 3.39Å; F629-E633 PolarHBondContact N-O 2.93Å; S631-E633 PolarHBondContact O-N 3.36Å
634	T	93.3	Very high	91.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	129.6	166.8	-65.4	0	0	0	0	109.2	V626 V627 S628 L648 T650 I659 T673	V626-T634 HydrophobicContact CG2-CG2 3.49Å; V626-T634 VanDerWaalsContact CG2-CG2 3.49Å; V627-T634 CarbonylContact O-C 3.55Å; V627-T634 VanDerWaalsContact O-CA 3.23Å; V627-T634 WeakPolarHBondContact O-CA 3.4Å; V627-T634 WeakPolarHBondContact O-CG2 3.43Å; S628-T634 WeakPolarHBondContact CB-OG1 3.42Å; T634-L648 HydrophobicContact CG2-CB 4.43Å; T634-L648 HydrophobicContact CG2-CD1 3.82Å; T634-L648 HydrophobicContact CG2-CG 4.35Å; T634-L648 WeakPolarHBondContact O-CB 3.46Å; T634-L648 PolarHBondContact O-N 3.49Å; T634-T650 PolarHBondContact N-OG1 3.29Å; T634-I659 WeakPolarHBondContact OG1-CD1 3.45Å; T634-T673 HydrophobicContact CG2-CG2 4.46Å
635	L	94.4	Very high	91.5	Very high	5 Å²	5	37 Å²	37	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.8	-168.6	-55.9	178.5	0	0	0	110.8	H609 V626 V627 F629 Y637 A647	H609-L635 HydrophobicContact CB-CD1 4.33Å; H609-L635 WeakPolarHBondContact CD2-CD1 3.28Å; H609-L635 WeakPolarHBondContact NE2-CD1 3.4Å; V626-L635 WeakPolarHBondContact CA-O 3.13Å; V627-L635 PolarHBondContact N-O 3.43Å; V627-L635 PolarHBondContact O-N 2.95Å; F629-L635 HydrophobicContact CD2-CD1 4.48Å; F629-L635 HydrophobicContact CD2-CG 4.49Å; F629-L635 HydrophobicContact CE2-CB 4.31Å; F629-L635 HydrophobicContact CE2-CD1 3.76Å; F629-L635 HydrophobicContact CE2-CG 3.98Å; F629-L635 HydrophobicContact CZ-CD1 4.34Å; L635-Y637 HydrophobicContact CB-CD2 4.22Å; L635-Y637 HydrophobicContact CB-CE2 3.78Å; L635-Y637 HydrophobicContact CD1-CE2 4.06Å; L635-A647 HydrophobicContact CD2-CB 3.63Å
636	L	95.4	Very high	91.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124	165.2	-75.5	162.6	0	0	0	109.2	V618 V625 V626 S644 V645 T646 L648 N685	V618-L636 HydrophobicContact CG2-CD2 3.52Å; V625-L636 WeakPolarHBondContact O-CA 3.44Å; V626-L636 HydrophobicContact CB-CD2 3.77Å; V626-L636 HydrophobicContact CG2-CD2 4.22Å; L636-S644 CarbonylContact O-C 3.59Å; L636-S644 WeakPolarHBondContact O-CA 3.36Å; L636-V645 PolarHBondContact O-N 3.44Å; L636-T646 PolarHBondContact N-O 3.34Å; L636-L648 HydrophobicContact CD1-CD2 3.85Å; L636-L648 HydrophobicContact CG-CD2 4.42Å; L636-N685 HydrophobicContact CD1-CB 3.59Å; L636-N685 WeakPolarHBondContact CD1-O 3.43Å
637	Y	94.6	Very high	90.8	Very high	7 Å²	7	41.7 Å²	41.7	3%	0.027	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.3	172.6	-69.7	-95.1	0	0	0	110.4	F603 Q624 V625 V627 F629 L635 Q643	F603-Y637 HydrophobicContact CB-CD1 4.44Å; F603-Y637 HydrophobicContact CB-CE1 4.2Å; F603-Y637 AromaticContact CD1-CD1 3.58Å; F603-Y637 HydrophobicContact CD1-CD1 3.58Å; F603-Y637 HydrophobicContact CD1-CE1 4.13Å; F603-Y637 HydrophobicContact CD1-CG 4.04Å; F603-Y637 HydrophobicContact CE1-CD1 4.23Å; F603-Y637 HydrophobicContact CE1-CG 4.43Å; F603-Y637 HydrophobicContact CG-CD1 4.34Å; Q624-Y637 VanDerWaalsContact CA-O 3.31Å; Q624-Y637 WeakPolarHBondContact CA-O 3.34Å; V625-Y637 PolarHBondContact N-O 3.48Å; V625-Y637 PolarHBondContact O-N 3.01Å; V627-Y637 HydrophobicContact CB-CD2 4.43Å; V627-Y637 HydrophobicContact CB-CE2 4.27Å; V627-Y637 HydrophobicContact CG2-CD2 4Å; V627-Y637 HydrophobicContact CG2-CE2 4.2Å; F629-Y637 HydrophobicContact CE2-CE2 4.42Å; F629-Y637 HydrophobicContact CZ-CE2 4.25Å; L635-Y637 HydrophobicContact CB-CD2 4.22Å; L635-Y637 HydrophobicContact CB-CE2 3.78Å; L635-Y637 HydrophobicContact CD1-CE2 4.06Å; Y637-Q643 WeakPolarHBondContact CA-O 3.37Å
638	D	92.9	Very high	90.4	Very high	25 Å²	25	42 Å²	42	13%	0.134	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	125.1	168.2	162	41.2	0	0	0	110.3	N640 T641 E642 Q643 V645	D638-N640 PolarHBondContact O-N 2.95Å; D638-N640 WeakPolarHBondContact OD1-CB 3.16Å; D638-N640 PolarHBondContact OD1-N 3.05Å; D638-N640 PolarHBondContact OD1-ND2 3.36Å; D638-T641 PolarHBondContact O-N 3.04Å; D638-T641 VanDerWaalsContact OD2-CB 3.3Å; D638-T641 WeakPolarHBondContact OD2-CB 3.32Å; D638-T641 VanDerWaalsContact OD2-CG2 3.24Å; D638-T641 WeakPolarHBondContact OD2-CG2 3.48Å; D638-T641 PolarHBondContact OD2-N 2.98Å; D638-T641 PolarHBondContact OD2-OG1 2.89Å; D638-E642 PolarHBondContact O-N 3.5Å; D638-Q643 PolarHBondContact N-O 2.91Å; D638-V645 HydrophobicContact CB-CG2 3.63Å
639	L	91.1	Very high	89.8	Confident	12 Å²	12	47.7 Å²	47.7	6%	0.063	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.8	-178.5	-58.5	177.2	0	0	0	113.5	L590 F603 F617 N623 V625	L590-L639 HydrophobicContact CD1-CD1 4.29Å; L590-L639 HydrophobicContact CD1-CD2 3.99Å; L590-L639 HydrophobicContact CD2-CD2 4.14Å; F603-L639 HydrophobicContact CE2-CD2 4.38Å; F603-L639 HydrophobicContact CZ-CD2 3.78Å; F617-L639 HydrophobicContact CD1-CD1 4.18Å; F617-L639 HydrophobicContact CE1-CD1 3.79Å; N623-L639 WeakPolarHBondContact O-CB 3.5Å; N623-L639 VanDerWaalsContact O-CG 3.23Å; N623-L639 WeakPolarHBondContact O-CG 3.33Å; N623-L639 PolarHBondContact O-N 3.39Å; V625-L639 HydrophobicContact CB-CD2 4.48Å; V625-L639 HydrophobicContact CG1-CD1 4.25Å; V625-L639 HydrophobicContact CG1-CD2 3.94Å; V625-L639 HydrophobicContact CG1-CG 4.42Å; V625-L639 HydrophobicContact CG2-CD2 3.8Å
640	N	89	Confident	88.6	Confident	112 Å²	112	47.9 Å²	47.9	60%	0.599	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-31.6	178	-59.5	-84.8	0	0	0	113.3	N623 D638	N623-N640 WeakPolarHBondContact CB-ND2 3.19Å; N623-N640 PolarHBondContact OD1-ND2 3.28Å; D638-N640 PolarHBondContact O-N 2.95Å; D638-N640 WeakPolarHBondContact OD1-CB 3.16Å; D638-N640 PolarHBondContact OD1-N 3.05Å; D638-N640 PolarHBondContact OD1-ND2 3.36Å
641	T	88.4	Confident	87.4	Confident	77 Å²	77	51.6 Å²	51.6	47%	0.472	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-10.7	179.2	53.7	0	0	0	0	114.2	D638 Q643	D638-T641 PolarHBondContact O-N 3.04Å; D638-T641 VanDerWaalsContact OD2-CB 3.3Å; D638-T641 WeakPolarHBondContact OD2-CB 3.32Å; D638-T641 VanDerWaalsContact OD2-CG2 3.24Å; D638-T641 WeakPolarHBondContact OD2-CG2 3.48Å; D638-T641 PolarHBondContact OD2-N 2.98Å; D638-T641 PolarHBondContact OD2-OG1 2.89Å; T641-Q643 PolarHBondContact O-N 3.19Å
642	E	86.8	Confident	86.2	Confident	87 Å²	87	50.4 Å²	50.4	41%	0.407	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	23.7	-173.4	-56	-164.8	165.6	0	0	114.3	S601 F603 D638	S601-E642 WeakPolarHBondContact CB-OE1 3.47Å; S601-E642 PolarHBondContact OG-OE1 2.9Å; F603-E642 HydrophobicContact CE1-CB 4.34Å; D638-E642 PolarHBondContact O-N 3.5Å
643	Q	87.5	Confident	85	Confident	135 Å²	135	60.2 Å²	60.2	63%	0.631	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	153.2	-174.3	-72	174.9	20.1	0	0	112.7	Y637 D638 T641	Y637-Q643 WeakPolarHBondContact CA-O 3.37Å; D638-Q643 PolarHBondContact N-O 2.91Å; T641-Q643 PolarHBondContact O-N 3.19Å
644	S	89.9	Confident	83.4	Confident	61 Å²	61	63.8 Å²	63.8	43%	0.427	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	124.7	170	45.8	0	0	0	0	110.2	L636	L636-S644 CarbonylContact O-C 3.59Å; L636-S644 WeakPolarHBondContact O-CA 3.36Å
645	V	88.9	Confident	81.8	Confident	82 Å²	82	66.3 Å²	66.3	50%	0.497	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-46.2	-175.5	-176.7	0	0	0	0	110.9	L636 D638	L636-V645 PolarHBondContact O-N 3.44Å; D638-V645 HydrophobicContact CB-CG2 3.63Å
646	T	88.5	Confident	80.3	Confident	35 Å²	35	68.1 Å²	68.1	22%	0.215	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	127.7	-173.7	-53.4	0	0	0	0	109.5	L636 L648	L636-T646 PolarHBondContact N-O 3.34Å; T646-L648 HydrophobicContact CG2-CD2 4.1Å
647	A	91	Very high	79	Confident	65 Å²	65	72.1 Å²	72.1	54%	0.537	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	130.1	162.9	0	0	0	0	0	109.6	L635	L635-A647 HydrophobicContact CD2-CB 3.63Å
648	L	86.6	Confident	78.7	Confident	6 Å²	6	75.9 Å²	75.9	3%	0.031	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.2	174.3	-51	-172.6	0	0	0	108.6	V626 T634 L636 T646 T650 M683 G688	V626-L648 HydrophobicContact CG2-CD1 3.94Å; T634-L648 HydrophobicContact CG2-CB 4.43Å; T634-L648 HydrophobicContact CG2-CD1 3.82Å; T634-L648 HydrophobicContact CG2-CG 4.35Å; T634-L648 WeakPolarHBondContact O-CB 3.46Å; T634-L648 PolarHBondContact O-N 3.49Å; L636-L648 HydrophobicContact CD1-CD2 3.85Å; L636-L648 HydrophobicContact CG-CD2 4.42Å; T646-L648 HydrophobicContact CG2-CD2 4.1Å; L648-T650 VanDerWaalsContact C-N 3.28Å; L648-T650 PolarHBondContact O-N 3.05Å; L648-T650 PolarHBondContact O-OG1 3.28Å; L648-M683 HydrophobicContact CB-CB 4.36Å; L648-M683 HydrophobicContact CB-CE 3.86Å; L648-M683 HydrophobicContact CB-CG 4.31Å; L648-M683 HydrophobicContact CD1-CB 3.87Å; L648-M683 HydrophobicContact CD1-CG 4.25Å; L648-G688 CarbonylContact C-O 3.5Å; L648-G688 WeakPolarHBondContact CA-O 3.28Å
649	E	81.2	Confident	78.7	Confident	120 Å²	120	74.7 Å²	74.7	56%	0.561	41%	0.408	S	S	*	.			trans	-70.4	73.4	-176.3	-169.3	-177.5	178.2	0	0	112.1	M683 G688 V690	E649-M683 HydrophobicContact CB-CE 4.21Å; E649-M683 VanDerWaalsContact N-CE 3.28Å; E649-M683 VanDerWaalsContact O-CE 3.32Å; E649-M683 WeakPolarHBondContact O-CE 3.22Å; E649-G688 WeakPolarHBondContact CB-O 3.35Å; E649-G688 PolarHBondContact N-O 2.9Å; E649-V690 WeakPolarHBondContact O-CG2 3.26Å
650	T	69.2	Low	78.9	Confident	4 Å²	4	76.3 Å²	76.3	3%	0.025	42%	0.417	C	S	.	.			trans	-90	-11.3	-175.1	37.9	0	0	0	0	115.2	G632 T634 L648 I659 R681 M683	G632-T650 VanDerWaalsContact O-CB 3.3Å; G632-T650 WeakPolarHBondContact O-CB 3.25Å; G632-T650 PolarHBondContact O-OG1 2.95Å; T634-T650 PolarHBondContact N-OG1 3.29Å; L648-T650 VanDerWaalsContact C-N 3.28Å; L648-T650 PolarHBondContact O-N 3.05Å; L648-T650 PolarHBondContact O-OG1 3.28Å; T650-I659 HydrophobicContact CG2-CD1 3.94Å; T650-R681 PolarHBondContact O-NH1 2.99Å; T650-M683 HydrophobicContact CG2-CE 4.36Å; T650-M683 HydrophobicContact CG2-CG 4.49Å; T650-M683 HydrophobicContact CG2-SD 4.4Å
651	Q	65.4	Low	79.3	Confident	138 Å²	138	73.5 Å²	73.5	65%	0.645	40%	0.398	S	S	*	.			trans	-52.2	152.1	-178.6	-72.9	-174.2	-0.1	0	0	114	R681	Q651-R681 PolarHBondContact O-NH1 3Å
652	T	62.6	Low	79.7	Confident	17 Å²	17	70 Å²	70	10%	0.104	38%	0.377	C	S	.	.			trans	-124.1	143.6	-174.9	88.3	0	0	0	0	110.3	D654 G655 S656 R681	T652-D654 PolarHBondContact O-N 2.94Å; T652-G655 PolarHBondContact OG1-N 2.91Å; T652-S656 WeakPolarHBondContact CG2-O 3.26Å; T652-S656 PolarHBondContact OG1-N 3.08Å; T652-S656 PolarHBondContact OG1-O 2.96Å; T652-R681 VanDerWaalsContact CG2-NH2 3.27Å
653	K	58.2	Low	80.1	Confident	209 Å²	209	66.8 Å²	66.8	91%	0.909	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-13	-178.8	-66.3	-175.1	179.6	176.8	0	113
654	D	57.8	Low	80.5	Confident	143 Å²	143	60.8 Å²	60.8	77%	0.765	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	1.8	-170.2	-46.7	-63.5	0	0	0	112	T652 S656	T652-D654 PolarHBondContact O-N 2.94Å; D654-S656 PolarHBondContact O-N 3.01Å
655	G	59.3	Low	80.8	Confident	53 Å²	53	58.6 Å²	58.6	55%	0.546	32%	0.319	S	S	.	.	S	Bend	trans	70	9.9	175.7	0	0	0	0	0	115.4	T652	T652-G655 PolarHBondContact OG1-N 2.91Å
656	S	62	Low	81	Confident	42 Å²	42	55.6 Å²	55.6	29%	0.294	30%	0.301	S	S	.	.			trans	-94.1	104.7	170.1	177	0	0	0	0	108.4	T652 D654 N677	T652-S656 WeakPolarHBondContact CG2-O 3.26Å; T652-S656 PolarHBondContact OG1-N 3.08Å; T652-S656 PolarHBondContact OG1-O 2.96Å; D654-S656 PolarHBondContact O-N 3.01Å; S656-N677 PolarHBondContact O-ND2 3.35Å; S656-N677 VanDerWaalsContact O-ND2 3.09Å
657	E	68.9	Low	81.2	Confident	84 Å²	84	59.2 Å²	59.2	39%	0.393	32%	0.319	S	S	.	.			trans	-108.8	-18.3	-163.6	-73.7	167.7	168.5	0	0	113.4	G632 I659	G632-E657 WeakPolarHBondContact CA-O 3.36Å; E657-I659 PolarHBondContact O-N 2.92Å
658	L	87.9	Confident	81.3	Confident	86 Å²	86	61.1 Å²	61.1	45%	0.45	32%	0.317	S	S	.	.			trans	-62.4	122.1	-175.7	-67	174	0	0	0	113.5	D630 E676	D630-L658 HydrophobicContact CB-CD2 4.14Å; L658-E676 HydrophobicContact CB-CB 4.04Å; L658-E676 HydrophobicContact CB-CG 3.62Å; L658-E676 HydrophobicContact CD1-CG 4.1Å; L658-E676 PolarHBondContact O-N 2.83Å
659	I	93.4	Very high	81.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.3	176	-54.3	176.9	0	0	0	108.5	T613 T634 T650 E657 T673 A674	T613-I659 WeakPolarHBondContact CB-O 3.32Å; T613-I659 PolarHBondContact OG1-O 2.98Å; T634-I659 WeakPolarHBondContact OG1-CD1 3.45Å; T650-I659 HydrophobicContact CG2-CD1 3.94Å; E657-I659 PolarHBondContact O-N 2.92Å; I659-T673 HydrophobicContact CG2-CG2 4.1Å; I659-A674 CarbonylContact C-O 3.57Å; I659-A674 WeakPolarHBondContact CA-O 3.36Å; I659-A674 WeakPolarHBondContact CG2-O 3.47Å
660	N	94.9	Very high	82.3	Confident	47 Å²	47	57.5 Å²	57.5	25%	0.251	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-32.1	-175.9	-68.8	-28.2	0	0	0	113.1	A674 E676 V701	N660-A674 PolarHBondContact N-O 3.42Å; N660-E676 PolarHBondContact ND2-OE1 2.75Å; N660-V701 WeakPolarHBondContact CB-O 3.5Å; N660-V701 PolarHBondContact ND2-O 3.03Å
661	R	96.4	Very high	83.6	Confident	52 Å²	52	57.3 Å²	57.3	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	145.7	177.8	-161.2	175	-67.8	-158.7	-3.6	113.2	S614 V663 T673 A674 L704 H748 D749	S614-R661 WeakPolarHBondContact OG-CG 3.29Å; R661-V663 HydrophobicContact CG-CG1 4.5Å; R661-T673 CarbonylContact O-C 3.54Å; R661-T673 WeakPolarHBondContact O-CA 3.33Å; R661-A674 PolarHBondContact O-N 2.99Å; R661-L704 PolarHBondContact NH1-O 2.98Å; R661-H748 PolarHBondContact NH2-O 3.04Å; R661-H748 VanDerWaalsContact NH2-O 3.13Å; R661-D749 IonicContact CZ-OD1 2.88Å; R661-D749 IonicContact NH1-OD1 3.76Å; R661-D749 PolarHBondContact NH1-OD1 3.31Å; R661-D749 IonicContact NH2-OD1 3.79Å; R661-D749 PolarHBondContact NH2-OD1 2.87Å
662	V	96.8	Very high	85	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.2	164.5	68.1	0	0	0	0	111	S614 A616 V626 I672 T673	S614-V662 PolarHBondContact OG-N 3.48Å; A616-V662 HydrophobicContact CB-CG1 4.31Å; V626-V662 HydrophobicContact CB-CG2 4.37Å; V626-V662 HydrophobicContact CG1-CB 4.46Å; V626-V662 HydrophobicContact CG1-CG1 3.98Å; V626-V662 HydrophobicContact CG1-CG2 3.61Å; V626-V662 HydrophobicContact CG2-CG2 3.84Å; V662-I672 CarbonylContact C-O 3.57Å; V662-I672 WeakPolarHBondContact CA-O 3.34Å; V662-T673 HydrophobicContact CB-CG2 4.06Å; V662-T673 HydrophobicContact CG2-CG2 3.77Å
663	V	96.7	Very high	86.6	Confident	20 Å²	20	50 Å²	50	12%	0.121	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	148.7	170.4	-62.4	0	0	0	0	110.4	R661 S671 I672 L704 T706 L713	R661-V663 HydrophobicContact CG-CG1 4.5Å; V663-S671 WeakPolarHBondContact O-CA 3.48Å; V663-I672 HydrophobicContact CG2-CB 3.89Å; V663-I672 PolarHBondContact N-O 3.08Å; V663-I672 PolarHBondContact O-N 2.91Å; V663-L704 HydrophobicContact CG1-CB 4.08Å; V663-L704 HydrophobicContact CG2-CB 4.03Å; V663-L704 HydrophobicContact CG2-CD1 4.31Å; V663-T706 HydrophobicContact CG2-CG2 4.23Å; V663-L713 HydrophobicContact CG2-CD1 4.45Å
664	S	95.7	Very high	88.4	Confident	8 Å²	8	40 Å²	40	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140	169.9	-173.8	0	0	0	0	110.1	F617 T619	F617-S664 VanDerWaalsContact O-CB 3.3Å; F617-S664 WeakPolarHBondContact O-CB 3.27Å; T619-S664 PolarHBondContact N-OG 3.42Å; T619-S664 VanDerWaalsContact N-OG 3.16Å
665	H	95.6	Very high	90.2	Very high	15 Å²	15	33.3 Å²	33.3	7%	0.069	19%	0.188	C	C	.	.			trans	-64	142.3	160.6	-164.9	-111.2	0	0	0	109.5	E668 V670 G710	H665-E668 HydrophobicContact CB-CB 4.43Å; H665-E668 VanDerWaalsContact ND1-CB 3.31Å; H665-E668 WeakPolarHBondContact ND1-CB 3.38Å; H665-E668 WeakPolarHBondContact ND1-CG 3.29Å; H665-E668 PolarHBondContact ND1-N 3.13Å; H665-E668 VanDerWaalsContact ND1-N 3.15Å; H665-V670 HydrophobicContact CB-CB 4.18Å; H665-V670 VanDerWaalsContact CB-O 3.32Å; H665-V670 WeakPolarHBondContact CB-O 3.14Å; H665-V670 PolarHBondContact N-O 3Å; H665-G710 PolarHBondContact NE2-O 2.84Å
666	P	92.8	Very high	91.8	Very high	20 Å²	20	33.9 Å²	33.9	13%	0.13	18%	0.176	C	C	.	.	S	Bend	trans	-72.6	-38.4	-177.1	25.8	-33.8	0	0	0	113.2	T619 G710	T619-P666 HydrophobicContact CG2-CB 4.32Å; P666-G710 VanDerWaalsContact CG-CA 3.5Å
667	N	92.7	Very high	93.2	Very high	111 Å²	111	33.6 Å²	33.6	59%	0.594	17%	0.172	S	C	*	.	S	Bend	trans	-105.8	-13.1	-170	-59.3	-20.6	0	0	0	114.3	K709	N667-K709 PolarHBondContact ND2-O 3.07Å
668	E	93.2	Very high	94.4	Very high	105 Å²	105	35.3 Å²	35.3	49%	0.491	17%	0.174	S	C	.	.	S	Bend	trans	-124.6	152	-175.9	-61.4	-167	157.3	0	0	110.4	T620 H665 V670	T620-E668 WeakPolarHBondContact CG2-O 3.37Å; H665-E668 HydrophobicContact CB-CB 4.43Å; H665-E668 VanDerWaalsContact ND1-CB 3.31Å; H665-E668 WeakPolarHBondContact ND1-CB 3.38Å; H665-E668 WeakPolarHBondContact ND1-CG 3.29Å; H665-E668 PolarHBondContact ND1-N 3.13Å; H665-E668 VanDerWaalsContact ND1-N 3.15Å; E668-V670 HydrophobicContact CB-CB 4.41Å; E668-V670 HydrophobicContact CB-CG2 4.02Å; E668-V670 PolarHBondContact O-N 2.89Å
669	P	94.3	Very high	94.7	Very high	32 Å²	32	31.9 Å²	31.9	21%	0.208	16%	0.157	C	C	.	.	S	Bend	trans	-77.2	55.3	176.2	36.5	-39.3	0	0	0	110.9	T620 N685 K686	T620-P669 WeakPolarHBondContact OG1-CA 3.49Å; P669-N685 HydrophobicContact CB-CB 4.46Å; P669-N685 VanDerWaalsContact O-CB 3.3Å; P669-N685 WeakPolarHBondContact O-CB 3.27Å; P669-N685 PolarHBondContact O-N 3.41Å; P669-K686 HydrophobicContact CB-CD 4.4Å; P669-K686 HydrophobicContact CB-CG 4.38Å; P669-K686 HydrophobicContact CG-CD 4.08Å
670	V	94.6	Very high	94.8	Very high	18 Å²	18	31.9 Å²	31.9	11%	0.109	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.8	-174.4	175.7	0	0	0	0	109.6	H665 E668 I672 F682 M683	H665-V670 HydrophobicContact CB-CB 4.18Å; H665-V670 VanDerWaalsContact CB-O 3.32Å; H665-V670 WeakPolarHBondContact CB-O 3.14Å; H665-V670 PolarHBondContact N-O 3Å; E668-V670 HydrophobicContact CB-CB 4.41Å; E668-V670 HydrophobicContact CB-CG2 4.02Å; E668-V670 PolarHBondContact O-N 2.89Å; V670-I672 HydrophobicContact CG1-CG1 4.39Å; V670-F682 HydrophobicContact CG1-CB 4.2Å; V670-F682 HydrophobicContact CG1-CD1 4.32Å; V670-M683 CarbonylContact C-O 3.57Å; V670-M683 VanDerWaalsContact CA-O 3.23Å; V670-M683 WeakPolarHBondContact CA-O 3.26Å
671	S	95.9	Very high	94.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.9	169.9	-72.9	0	0	0	0	110.6	V663 M683 N685	V663-S671 WeakPolarHBondContact O-CA 3.48Å; S671-M683 PolarHBondContact N-O 3.31Å; S671-M683 PolarHBondContact O-N 3.12Å; S671-N685 WeakPolarHBondContact CB-OD1 3.43Å; S671-N685 PolarHBondContact N-OD1 2.92Å; S671-N685 VanDerWaalsContact N-OD1 3.1Å; S671-N685 PolarHBondContact OG-ND2 2.99Å; S671-N685 PolarHBondContact OG-OD1 3.33Å
672	I	96.4	Very high	94.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.3	-176.4	-47.7	174.2	0	0	0	108	V662 V663 V670 I680 R681 F682 L704 T706 L713 L727	V662-I672 CarbonylContact C-O 3.57Å; V662-I672 WeakPolarHBondContact CA-O 3.34Å; V663-I672 HydrophobicContact CG2-CB 3.89Å; V663-I672 PolarHBondContact N-O 3.08Å; V663-I672 PolarHBondContact O-N 2.91Å; V670-I672 HydrophobicContact CG1-CG1 4.39Å; I672-I680 HydrophobicContact CG2-CG2 3.48Å; I672-I680 VanDerWaalsContact CG2-CG2 3.48Å; I672-R681 CarbonylContact C-O 3.54Å; I672-R681 VanDerWaalsContact CA-O 3.31Å; I672-R681 WeakPolarHBondContact CA-O 3.27Å; I672-F682 HydrophobicContact CD1-CD1 4.05Å; I672-F682 HydrophobicContact CD1-CE1 3.72Å; I672-F682 HydrophobicContact CG1-CD1 3.8Å; I672-F682 HydrophobicContact CG1-CE1 3.93Å; I672-F682 HydrophobicContact CG2-CD1 4.22Å; I672-F682 HydrophobicContact CG2-CE1 3.97Å; I672-F682 HydrophobicContact CG2-CZ 4.19Å; I672-L704 HydrophobicContact CB-CD1 4.5Å; I672-L704 HydrophobicContact CG2-CD1 3.93Å; I672-T706 HydrophobicContact CD1-CG2 3.97Å; I672-L713 HydrophobicContact CD1-CD1 4.07Å; I672-L713 HydrophobicContact CG2-CD1 4.48Å; I672-L713 HydrophobicContact CG2-CD2 4.14Å; I672-L727 HydrophobicContact CD1-CD2 4.06Å
673	T	96	Very high	94.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.7	-177.5	49.2	0	0	0	0	111.9	T634 I659 R661 V662 H675 I680 R681	T634-T673 HydrophobicContact CG2-CG2 4.46Å; I659-T673 HydrophobicContact CG2-CG2 4.1Å; R661-T673 CarbonylContact O-C 3.54Å; R661-T673 WeakPolarHBondContact O-CA 3.33Å; V662-T673 HydrophobicContact CB-CG2 4.06Å; V662-T673 HydrophobicContact CG2-CG2 3.77Å; T673-H675 WeakPolarHBondContact CB-NE2 3.44Å; T673-H675 PolarHBondContact O-CD2 2.91Å; T673-H675 PolarHBondContact OG1-NE2 2.7Å; T673-I680 WeakPolarHBondContact O-CA 3.5Å; T673-R681 PolarHBondContact N-O 3.32Å; T673-R681 PolarHBondContact O-N 3.36Å
674	A	95.8	Very high	94.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.6	174.3	0	0	0	0	0	111.1	I659 N660 R661 V701 L704	I659-A674 CarbonylContact C-O 3.57Å; I659-A674 WeakPolarHBondContact CA-O 3.36Å; I659-A674 WeakPolarHBondContact CG2-O 3.47Å; N660-A674 PolarHBondContact N-O 3.42Å; R661-A674 PolarHBondContact O-N 2.99Å; A674-V701 HydrophobicContact CB-CB 3.81Å; A674-V701 HydrophobicContact CB-CG1 3.57Å; A674-L704 HydrophobicContact CB-CD1 3.59Å; A674-L704 HydrophobicContact CB-CD2 4.14Å; A674-L704 HydrophobicContact CB-CG 3.59Å
675	H	94.4	Very high	94.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.2	-166.6	-64.9	-114	0	0	0	112.5	T673 N677 R678 T679 V701	T673-H675 WeakPolarHBondContact CB-NE2 3.44Å; T673-H675 PolarHBondContact O-CD2 2.91Å; T673-H675 PolarHBondContact OG1-NE2 2.7Å; H675-N677 WeakPolarHBondContact CB-ND2 3.43Å; H675-N677 WeakPolarHBondContact CB-OD1 3.35Å; H675-N677 PolarHBondContact O-N 3.01Å; H675-R678 PolarHBondContact O-N 2.77Å; H675-R678 VanDerWaalsContact O-N 3.12Å; H675-T679 PolarHBondContact N-O 3.11Å; H675-T679 VanDerWaalsContact N-O 3.16Å; H675-V701 PolarHBondContact O-N 2.84Å; H675-V701 VanDerWaalsContact O-N 3.14Å
676	E	93.1	Very high	94.1	Very high	66 Å²	66	36.4 Å²	36.4	31%	0.308	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.1	169.1	-84.2	-61.8	118.2	0	0	112.3	L658 N660 R678 A700	L658-E676 HydrophobicContact CB-CB 4.04Å; L658-E676 HydrophobicContact CB-CG 3.62Å; L658-E676 HydrophobicContact CD1-CG 4.1Å; L658-E676 PolarHBondContact O-N 2.83Å; N660-E676 PolarHBondContact ND2-OE1 2.75Å; E676-R678 PolarHBondContact O-N 3.36Å; E676-A700 WeakPolarHBondContact OE1-CB 3.41Å; E676-A700 WeakPolarHBondContact OE2-CB 3.33Å
677	N	91.6	Very high	94.1	Very high	36 Å²	36	39.5 Å²	39.5	19%	0.193	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	16.3	174.4	61.7	53	0	0	0	114.9	S656 H675 T679	S656-N677 PolarHBondContact O-ND2 3.35Å; S656-N677 VanDerWaalsContact O-ND2 3.09Å; H675-N677 WeakPolarHBondContact CB-ND2 3.43Å; H675-N677 WeakPolarHBondContact CB-OD1 3.35Å; H675-N677 PolarHBondContact O-N 3.01Å; N677-T679 PolarHBondContact O-N 3.05Å; N677-T679 WeakPolarHBondContact OD1-CB 3.45Å; N677-T679 WeakPolarHBondContact OD1-CG2 3.39Å; N677-T679 PolarHBondContact OD1-N 3.5Å; N677-T679 PolarHBondContact OD1-OG1 3.4Å
678	R	93.9	Very high	93.9	Very high	119 Å²	119	34.5 Å²	34.5	45%	0.449	17%	0.167	S	C	.	.	S	Bend	trans	69.4	7.3	174.3	-36.7	-179.1	174.9	163.3	-3.6	114.5	H675 E676 A696 H697 L698 D699	H675-R678 PolarHBondContact O-N 2.77Å; H675-R678 VanDerWaalsContact O-N 3.12Å; E676-R678 PolarHBondContact O-N 3.36Å; R678-A696 PolarHBondContact O-N 3.26Å; R678-H697 PolarHBondContact O-N 2.9Å; R678-L698 WeakPolarHBondContact CD-O 3.14Å; R678-L698 PolarHBondContact NE-O 3Å; R678-L698 VanDerWaalsContact NE-O 3.15Å; R678-L698 PolarHBondContact NH1-O 2.92Å; R678-D699 WeakPolarHBondContact CG-O 3.49Å
679	T	94	Very high	93.8	Very high	15 Å²	15	35.4 Å²	35.4	9%	0.092	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	153.5	179.5	72.3	0	0	0	0	113.4	H675 N677 M694 V695	H675-T679 PolarHBondContact N-O 3.11Å; H675-T679 VanDerWaalsContact N-O 3.16Å; N677-T679 PolarHBondContact O-N 3.05Å; N677-T679 WeakPolarHBondContact OD1-CB 3.45Å; N677-T679 WeakPolarHBondContact OD1-CG2 3.39Å; N677-T679 PolarHBondContact OD1-N 3.5Å; N677-T679 PolarHBondContact OD1-OG1 3.4Å; T679-M694 CarbonylContact C-O 3.49Å; T679-M694 WeakPolarHBondContact CA-O 3.33Å; T679-M694 WeakPolarHBondContact CB-O 3.3Å; T679-V695 HydrophobicContact CG2-CG2 4.24Å
680	I	95.6	Very high	93.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.9	161.8	-63.7	170.8	0	0	0	107.3	I672 T673 F682 S693 M694 A696 V701 L704 L713	I672-I680 HydrophobicContact CG2-CG2 3.48Å; I672-I680 VanDerWaalsContact CG2-CG2 3.48Å; T673-I680 WeakPolarHBondContact O-CA 3.5Å; I680-F682 HydrophobicContact CG2-CE2 3.81Å; I680-F682 HydrophobicContact CG2-CZ 4.06Å; I680-S693 WeakPolarHBondContact O-CA 3.43Å; I680-M694 HydrophobicContact CB-CG 3.94Å; I680-M694 HydrophobicContact CB-SD 4.27Å; I680-M694 PolarHBondContact N-O 3.16Å; I680-M694 WeakPolarHBondContact O-CG 3.36Å; I680-M694 PolarHBondContact O-N 3.4Å; I680-A696 HydrophobicContact CB-CB 4.25Å; I680-A696 HydrophobicContact CD1-CB 3.41Å; I680-A696 VanDerWaalsContact CD1-CB 3.41Å; I680-A696 HydrophobicContact CG1-CB 3.55Å; I680-V701 HydrophobicContact CD1-CG1 4.41Å; I680-V701 HydrophobicContact CG1-CG1 4.21Å; I680-V701 HydrophobicContact CG1-CG2 4.36Å; I680-L704 HydrophobicContact CD1-CD2 3.74Å; I680-L704 HydrophobicContact CG1-CD2 4.13Å; I680-L713 HydrophobicContact CD1-CD2 4.33Å; I680-L713 HydrophobicContact CG2-CD2 4.19Å
681	R	93.8	Very high	93.6	Very high	27 Å²	27	39.2 Å²	39.2	10%	0.102	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.9	-179.8	-57.4	-173.4	177.8	-159	-4.8	111.6	T650 Q651 T652 I672 T673 M683 H692	T650-R681 PolarHBondContact O-NH1 2.99Å; Q651-R681 PolarHBondContact O-NH1 3Å; T652-R681 VanDerWaalsContact CG2-NH2 3.27Å; I672-R681 CarbonylContact C-O 3.54Å; I672-R681 VanDerWaalsContact CA-O 3.31Å; I672-R681 WeakPolarHBondContact CA-O 3.27Å; T673-R681 PolarHBondContact N-O 3.32Å; T673-R681 PolarHBondContact O-N 3.36Å; R681-M683 HydrophobicContact CB-SD 4.45Å; R681-H692 WeakPolarHBondContact CA-O 3.29Å
682	F	95.1	Very high	93.5	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.053	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.4	-178.6	-62	-101.1	0	0	0	108	V670 I672 I680 V691 H692 M694 L713 L727	V670-F682 HydrophobicContact CG1-CB 4.2Å; V670-F682 HydrophobicContact CG1-CD1 4.32Å; I672-F682 HydrophobicContact CD1-CD1 4.05Å; I672-F682 HydrophobicContact CD1-CE1 3.72Å; I672-F682 HydrophobicContact CG1-CD1 3.8Å; I672-F682 HydrophobicContact CG1-CE1 3.93Å; I672-F682 HydrophobicContact CG2-CD1 4.22Å; I672-F682 HydrophobicContact CG2-CE1 3.97Å; I672-F682 HydrophobicContact CG2-CZ 4.19Å; I680-F682 HydrophobicContact CG2-CE2 3.81Å; I680-F682 HydrophobicContact CG2-CZ 4.06Å; F682-V691 PolarHBondContact O-N 3.41Å; F682-H692 HydrophobicContact CB-CB 4.15Å; F682-H692 HydrophobicContact CD2-CB 4Å; F682-H692 AromaticContact CD2-CD2 3.89Å; F682-H692 HydrophobicContact CG-CB 4.33Å; F682-H692 PolarHBondContact N-O 2.92Å; F682-H692 PolarHBondContact O-N 3.26Å; F682-M694 HydrophobicContact CE2-CE 3.92Å; F682-M694 HydrophobicContact CE2-CG 4.35Å; F682-M694 HydrophobicContact CE2-SD 4.28Å; F682-M694 HydrophobicContact CZ-CE 4.29Å; F682-L713 HydrophobicContact CZ-CD2 4.16Å; F682-L727 HydrophobicContact CE1-CD2 3.59Å; F682-L727 HydrophobicContact CZ-CD2 4.2Å
683	M	93.8	Very high	93.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.8	-174.7	-53.5	-53.6	-68.5	0	0	109.6	L648 E649 T650 V670 S671 R681 N685 K689 V690	L648-M683 HydrophobicContact CB-CB 4.36Å; L648-M683 HydrophobicContact CB-CE 3.86Å; L648-M683 HydrophobicContact CB-CG 4.31Å; L648-M683 HydrophobicContact CD1-CB 3.87Å; L648-M683 HydrophobicContact CD1-CG 4.25Å; E649-M683 HydrophobicContact CB-CE 4.21Å; E649-M683 VanDerWaalsContact N-CE 3.28Å; E649-M683 VanDerWaalsContact O-CE 3.32Å; E649-M683 WeakPolarHBondContact O-CE 3.22Å; T650-M683 HydrophobicContact CG2-CE 4.36Å; T650-M683 HydrophobicContact CG2-CG 4.49Å; T650-M683 HydrophobicContact CG2-SD 4.4Å; V670-M683 CarbonylContact C-O 3.57Å; V670-M683 VanDerWaalsContact CA-O 3.23Å; V670-M683 WeakPolarHBondContact CA-O 3.26Å; S671-M683 PolarHBondContact N-O 3.31Å; S671-M683 PolarHBondContact O-N 3.12Å; R681-M683 HydrophobicContact CB-SD 4.45Å; M683-N685 PolarHBondContact O-OD1 3.48Å; M683-K689 WeakPolarHBondContact CA-O 3.4Å; M683-V690 HydrophobicContact CE-CB 4.41Å; M683-V690 HydrophobicContact CE-CG2 3.76Å; M683-V690 HydrophobicContact SD-CB 4.13Å; M683-V690 HydrophobicContact SD-CG1 4.39Å; M683-V690 HydrophobicContact SD-CG2 3.75Å
684	D	94.2	Very high	93.2	Very high	28 Å²	28	45.3 Å²	45.3	15%	0.15	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	119.1	169.8	162.3	40.6	0	0	0	109.7	K686 T687 G688 K689 V691	D684-K686 PolarHBondContact O-N 3.32Å; D684-K686 WeakPolarHBondContact OD1-CB 3.06Å; D684-K686 PolarHBondContact OD1-N 2.96Å; D684-T687 PolarHBondContact O-N 2.88Å; D684-T687 VanDerWaalsContact OD2-CB 3.24Å; D684-T687 WeakPolarHBondContact OD2-CB 3.44Å; D684-T687 VanDerWaalsContact OD2-CG2 3.23Å; D684-T687 WeakPolarHBondContact OD2-CG2 3.49Å; D684-T687 PolarHBondContact OD2-N 3.35Å; D684-T687 PolarHBondContact OD2-OG1 2.97Å; D684-G688 WeakPolarHBondContact O-CA 3.44Å; D684-G688 PolarHBondContact O-N 2.96Å; D684-K689 PolarHBondContact N-O 3.35Å; D684-V691 HydrophobicContact CB-CG2 3.54Å
685	N	93.5	Very high	93.1	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.053	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.3	-175.7	-65.6	3.9	0	0	0	112.3	L636 P669 S671 M683	L636-N685 HydrophobicContact CD1-CB 3.59Å; L636-N685 WeakPolarHBondContact CD1-O 3.43Å; P669-N685 HydrophobicContact CB-CB 4.46Å; P669-N685 VanDerWaalsContact O-CB 3.3Å; P669-N685 WeakPolarHBondContact O-CB 3.27Å; P669-N685 PolarHBondContact O-N 3.41Å; S671-N685 WeakPolarHBondContact CB-OD1 3.43Å; S671-N685 PolarHBondContact N-OD1 2.92Å; S671-N685 VanDerWaalsContact N-OD1 3.1Å; S671-N685 PolarHBondContact OG-ND2 2.99Å; S671-N685 PolarHBondContact OG-OD1 3.33Å; M683-N685 PolarHBondContact O-OD1 3.48Å
686	K	91.9	Very high	93.1	Very high	163 Å²	163	50.7 Å²	50.7	71%	0.709	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-33.8	179.1	-64.5	173.1	177.2	170.7	0	113.8	P669 D684	P669-K686 HydrophobicContact CB-CD 4.4Å; P669-K686 HydrophobicContact CB-CG 4.38Å; P669-K686 HydrophobicContact CG-CD 4.08Å; D684-K686 PolarHBondContact O-N 3.32Å; D684-K686 WeakPolarHBondContact OD1-CB 3.06Å; D684-K686 PolarHBondContact OD1-N 2.96Å
687	T	91.4	Very high	93.3	Very high	86 Å²	86	47.8 Å²	47.8	53%	0.528	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-13.3	178.8	59.5	0	0	0	0	114.2	D684 K689	D684-T687 PolarHBondContact O-N 2.88Å; D684-T687 VanDerWaalsContact OD2-CB 3.24Å; D684-T687 WeakPolarHBondContact OD2-CB 3.44Å; D684-T687 VanDerWaalsContact OD2-CG2 3.23Å; D684-T687 WeakPolarHBondContact OD2-CG2 3.49Å; D684-T687 PolarHBondContact OD2-N 3.35Å; D684-T687 PolarHBondContact OD2-OG1 2.97Å; T687-K689 VanDerWaalsContact C-N 3.29Å
688	G	89.5	Confident	93.5	Very high	5 Å²	5	52 Å²	52	5%	0.052	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	76	10.9	-176.5	0	0	0	0	0	114.3	L648 E649 D684	L648-G688 CarbonylContact C-O 3.5Å; L648-G688 WeakPolarHBondContact CA-O 3.28Å; E649-G688 WeakPolarHBondContact CB-O 3.35Å; E649-G688 PolarHBondContact N-O 2.9Å; D684-G688 WeakPolarHBondContact O-CA 3.44Å; D684-G688 PolarHBondContact O-N 2.96Å
689	K	91.4	Very high	93.5	Very high	124 Å²	124	48.3 Å²	48.3	54%	0.539	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	153.4	-166.6	-67.9	-172.6	176.7	-170	0	114.2	M683 D684 T687 V691	M683-K689 WeakPolarHBondContact CA-O 3.4Å; D684-K689 PolarHBondContact N-O 3.35Å; T687-K689 VanDerWaalsContact C-N 3.29Å; K689-V691 PolarHBondContact O-N 3.27Å; K689-V691 VanDerWaalsContact O-N 3.15Å
690	V	91.9	Very high	93.6	Very high	54 Å²	54	47.6 Å²	47.6	33%	0.327	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	110.3	169.1	-169	0	0	0	0	109.3	E649 M683 H692	E649-V690 WeakPolarHBondContact O-CG2 3.26Å; M683-V690 HydrophobicContact CE-CB 4.41Å; M683-V690 HydrophobicContact CE-CG2 3.76Å; M683-V690 HydrophobicContact SD-CB 4.13Å; M683-V690 HydrophobicContact SD-CG1 4.39Å; M683-V690 HydrophobicContact SD-CG2 3.75Å; V690-H692 WeakPolarHBondContact CG1-O 3.4Å
691	V	93.2	Very high	93.7	Very high	76 Å²	76	47.6 Å²	47.6	46%	0.461	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-39.6	170.8	178.6	0	0	0	0	110.2	F682 D684 K689	F682-V691 PolarHBondContact O-N 3.41Å; D684-V691 HydrophobicContact CB-CG2 3.54Å; K689-V691 PolarHBondContact O-N 3.27Å; K689-V691 VanDerWaalsContact O-N 3.15Å
692	H	92.1	Very high	93.8	Very high	55 Å²	55	47.1 Å²	47.1	26%	0.255	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	153.7	-179.5	-171.5	64.7	0	0	0	111.9	R681 F682 V690	R681-H692 WeakPolarHBondContact CA-O 3.29Å; F682-H692 HydrophobicContact CB-CB 4.15Å; F682-H692 HydrophobicContact CD2-CB 4Å; F682-H692 AromaticContact CD2-CD2 3.89Å; F682-H692 HydrophobicContact CG-CB 4.33Å; F682-H692 PolarHBondContact N-O 2.92Å; F682-H692 PolarHBondContact O-N 3.26Å; V690-H692 WeakPolarHBondContact CG1-O 3.4Å
693	S	92.6	Very high	93.9	Very high	54 Å²	54	46.5 Å²	46.5	38%	0.378	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	134.2	174.6	-179.3	0	0	0	0	108.7	I680	I680-S693 WeakPolarHBondContact O-CA 3.43Å
694	M	93.9	Very high	94.1	Very high	20 Å²	20	46.6 Å²	46.6	10%	0.099	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.9	-179.8	55.6	169.4	60.7	0	0	110.7	T679 I680 F682 A696 W725 R730	T679-M694 CarbonylContact C-O 3.49Å; T679-M694 WeakPolarHBondContact CA-O 3.33Å; T679-M694 WeakPolarHBondContact CB-O 3.3Å; I680-M694 HydrophobicContact CB-CG 3.94Å; I680-M694 HydrophobicContact CB-SD 4.27Å; I680-M694 PolarHBondContact N-O 3.16Å; I680-M694 WeakPolarHBondContact O-CG 3.36Å; I680-M694 PolarHBondContact O-N 3.4Å; F682-M694 HydrophobicContact CE2-CE 3.92Å; F682-M694 HydrophobicContact CE2-CG 4.35Å; F682-M694 HydrophobicContact CE2-SD 4.28Å; F682-M694 HydrophobicContact CZ-CE 4.29Å; M694-A696 PolarHBondContact O-N 3.5Å; M694-W725 HydrophobicContact CE-CE3 4.05Å; M694-W725 HydrophobicContact CE-CZ3 4.27Å; M694-W725 HydrophobicContact SD-CD2 4.14Å; M694-W725 HydrophobicContact SD-CE3 3.69Å; M694-W725 HydrophobicContact SD-CH2 4.14Å; M694-W725 HydrophobicContact SD-CZ3 3.68Å; M694-R730 HydrophobicContact CE-CB 3.62Å; M694-R730 HydrophobicContact CE-CG 4.26Å; M694-R730 VanDerWaalsContact CE-O 3.32Å; M694-R730 WeakPolarHBondContact CE-O 3.26Å
695	V	94	Very high	94.2	Very high	115 Å²	115	46.5 Å²	46.5	70%	0.697	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	110.7	164.3	-178.9	0	0	0	0	106.8	T679	T679-V695 HydrophobicContact CG2-CG2 4.24Å
696	A	94.9	Very high	94.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.			trans	-94.7	-33.7	-168.7	0	0	0	0	0	112.9	R678 I680 M694 V701 R723 W725	R678-A696 PolarHBondContact O-N 3.26Å; I680-A696 HydrophobicContact CB-CB 4.25Å; I680-A696 HydrophobicContact CD1-CB 3.41Å; I680-A696 VanDerWaalsContact CD1-CB 3.41Å; I680-A696 HydrophobicContact CG1-CB 3.55Å; M694-A696 PolarHBondContact O-N 3.5Å; A696-V701 HydrophobicContact CB-CG2 4.23Å; A696-R723 VanDerWaalsContact O-CD 3.28Å; A696-R723 WeakPolarHBondContact O-CD 3.38Å; A696-R723 PolarHBondContact O-NH1 3.17Å; A696-W725 HydrophobicContact CB-CH2 4.18Å; A696-W725 HydrophobicContact CB-CZ2 3.73Å; A696-W725 VanDerWaalsContact O-CZ2 3.31Å; A696-W725 WeakPolarHBondContact O-CZ2 3.36Å
697	H	96.6	Very high	94.4	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.019	23%	0.227	C	C	.	.			trans	-137.8	169.9	-169.5	-83.2	-86.2	0	0	0	112.9	R678 D699 V701 S715 S717 D719 S721 R723	R678-H697 PolarHBondContact O-N 2.9Å; H697-D699 WeakPolarHBondContact CB-O 3.32Å; H697-V701 HydrophobicContact CB-CG2 4.19Å; H697-S715 PolarHBondContact CD2-OG 2.91Å; H697-S715 WeakPolarHBondContact NE2-CB 3.39Å; H697-S715 PolarHBondContact NE2-OG 3.41Å; H697-S717 WeakPolarHBondContact ND1-CB 3.3Å; H697-D719 VanDerWaalsContact CB-OD2 3.31Å; H697-D719 WeakPolarHBondContact CB-OD2 3.46Å; H697-D719 IonicContact CE1-OD1 3.8Å; H697-D719 IonicContact CG-OD2 3.62Å; H697-D719 IonicContact ND1-OD1 2.87Å; H697-D719 PolarHBondContact ND1-OD1 3.05Å; H697-D719 IonicContact ND1-OD2 3.98Å; H697-D719 PolarHBondContact ND1-OD2 3.01Å; H697-S721 PolarHBondContact CE1-O 3.4Å; H697-S721 PolarHBondContact CE1-OG 2.94Å; H697-S721 PolarHBondContact ND1-OG 3Å; H697-S721 VanDerWaalsContact ND1-OG 3.16Å; H697-R723 VanDerWaalsContact CE1-CD 3.44Å; H697-R723 WeakPolarHBondContact CE1-CD 3.5Å
698	L	95.5	Very high	94.3	Very high	125 Å²	125	39.1 Å²	39.1	65%	0.654	22%	0.22	S	C	*	.	S	Bend	trans	-85.7	-15.5	174.9	-62.5	179.3	0	0	0	113	R678 D719	R678-L698 WeakPolarHBondContact CD-O 3.14Å; R678-L698 PolarHBondContact NE-O 3Å; R678-L698 VanDerWaalsContact NE-O 3.15Å; R678-L698 PolarHBondContact NH1-O 2.92Å; L698-D719 HydrophobicContact CB-CB 3.96Å; L698-D719 PolarHBondContact N-OD2 3.23Å
699	D	95.5	Very high	94.3	Very high	41 Å²	41	46.1 Å²	46.1	22%	0.219	25%	0.249	C	C	.	.	S	Bend	trans	-138	-178.8	176.2	-146.3	-7.5	0	0	0	109.9	R678 H697 S717 H718 D719 K741	R678-D699 WeakPolarHBondContact CG-O 3.49Å; H697-D699 WeakPolarHBondContact CB-O 3.32Å; D699-S717 PolarHBondContact O-OG 2.71Å; D699-H718 HydrophobicContact CB-CB 4.11Å; D699-D719 HydrophobicContact CB-CB 3.81Å; D699-K741 IonicContact OD2-NZ 3.2Å; D699-K741 PolarHBondContact OD2-NZ 3.11Å
700	A	95.3	Very high	94.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.008	23%	0.226	C	C	.	.			trans	-49.5	139.8	-178.3	0	0	0	0	0	113.9	E676 S717 H718	E676-A700 WeakPolarHBondContact OE1-CB 3.41Å; E676-A700 WeakPolarHBondContact OE2-CB 3.33Å; A700-S717 WeakPolarHBondContact O-CA 3.34Å; A700-S717 WeakPolarHBondContact O-CB 3.3Å; A700-S717 PolarHBondContact O-OG 3.13Å; A700-H718 PolarHBondContact O-N 2.91Å
701	V	97.1	Very high	94.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	115.9	174.2	-166.6	0	0	0	0	108.2	N660 A674 H675 I680 A696 H697 L704	N660-V701 WeakPolarHBondContact CB-O 3.5Å; N660-V701 PolarHBondContact ND2-O 3.03Å; A674-V701 HydrophobicContact CB-CB 3.81Å; A674-V701 HydrophobicContact CB-CG1 3.57Å; H675-V701 PolarHBondContact O-N 2.84Å; H675-V701 VanDerWaalsContact O-N 3.14Å; I680-V701 HydrophobicContact CD1-CG1 4.41Å; I680-V701 HydrophobicContact CG1-CG1 4.21Å; I680-V701 HydrophobicContact CG1-CG2 4.36Å; A696-V701 HydrophobicContact CB-CG2 4.23Å; H697-V701 HydrophobicContact CB-CG2 4.19Å; V701-L704 HydrophobicContact CG1-CD2 4.23Å
702	T	96.4	Very high	94.4	Very high	16 Å²	16	39.2 Å²	39.2	10%	0.098	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-31.9	-171.2	55.6	0	0	0	0	113.2	G716 H718 I747	T702-G716 PolarHBondContact N-O 3.22Å; T702-G716 PolarHBondContact OG1-O 2.65Å; T702-H718 WeakPolarHBondContact CG2-CE1 3.43Å; T702-H718 WeakPolarHBondContact CG2-ND1 3.33Å; T702-I747 WeakPolarHBondContact CB-O 3.24Å; T702-I747 PolarHBondContact OG1-O 2.91Å
703	C	96.8	Very high	94.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	150.6	-170.9	50.9	0	0	0	0	112.2	S715 G716 H748 V750	C703-S715 WeakPolarHBondContact O-CA 3.37Å; C703-G716 PolarHBondContact N-O 3.41Å; C703-G716 PolarHBondContact O-N 3.02Å; C703-G716 VanDerWaalsContact SG-CA 3.56Å; C703-H748 VanDerWaalsContact CB-O 3.31Å; C703-H748 WeakPolarHBondContact CB-O 3.46Å; C703-V750 HydrophobicContact CB-CG2 3.99Å
704	L	97.7	Very high	94.8	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.5	-179.5	-65.2	178.8	0	0	0	109.6	R661 V663 I672 A674 I680 V701 L713 I714	R661-L704 PolarHBondContact NH1-O 2.98Å; V663-L704 HydrophobicContact CG1-CB 4.08Å; V663-L704 HydrophobicContact CG2-CB 4.03Å; V663-L704 HydrophobicContact CG2-CD1 4.31Å; I672-L704 HydrophobicContact CB-CD1 4.5Å; I672-L704 HydrophobicContact CG2-CD1 3.93Å; A674-L704 HydrophobicContact CB-CD1 3.59Å; A674-L704 HydrophobicContact CB-CD2 4.14Å; A674-L704 HydrophobicContact CB-CG 3.59Å; I680-L704 HydrophobicContact CD1-CD2 3.74Å; I680-L704 HydrophobicContact CG1-CD2 4.13Å; V701-L704 HydrophobicContact CG1-CD2 4.23Å; L704-L713 HydrophobicContact CB-CD1 4.39Å; L704-L713 HydrophobicContact CD2-CD1 4.35Å; L704-L713 HydrophobicContact CD2-CD2 4.43Å; L704-I714 WeakPolarHBondContact CA-O 3.4Å
705	T	96.9	Very high	95	Very high	26 Å²	26	33.1 Å²	33.1	16%	0.16	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	141	166	-175.6	0	0	0	0	109.9	I714 V750 F752	T705-I714 HydrophobicContact CG2-CB 3.79Å; T705-I714 HydrophobicContact CG2-CD1 3.89Å; T705-I714 HydrophobicContact CG2-CG1 4.35Å; T705-I714 PolarHBondContact N-O 2.81Å; T705-I714 VanDerWaalsContact N-O 3.1Å; T705-I714 PolarHBondContact O-N 3.49Å; T705-V750 WeakPolarHBondContact CB-O 3.38Å; T705-V750 HydrophobicContact CG2-CB 4.1Å; T705-V750 HydrophobicContact CG2-CG2 3.83Å; T705-V750 WeakPolarHBondContact CG2-O 3.36Å; T705-F752 HydrophobicContact CG2-CD2 3.78Å; T705-F752 HydrophobicContact CG2-CE2 4.24Å
706	T	95.8	Very high	95.2	Very high	23 Å²	23	27.7 Å²	27.7	14%	0.141	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	145.1	174.9	50.8	0	0	0	0	110.8	V663 I672 L713 L727 F752	V663-T706 HydrophobicContact CG2-CG2 4.23Å; I672-T706 HydrophobicContact CD1-CG2 3.97Å; T706-L713 HydrophobicContact CG2-CD1 3.82Å; T706-L727 HydrophobicContact CG2-CD1 4.5Å; T706-F752 WeakPolarHBondContact O-CD2 3.4Å
707	D	93.2	Very high	95.4	Very high	22 Å²	22	27.7 Å²	27.7	12%	0.118	15%	0.145	C	C	.	.			trans	-55.5	133.5	164.5	174.1	-5.6	0	0	0	108.4	K709 G710 Y712 F752	D707-K709 PolarHBondContact O-N 3.47Å; D707-K709 WeakPolarHBondContact OD1-CB 3.49Å; D707-K709 PolarHBondContact OD1-N 3.02Å; D707-G710 PolarHBondContact O-N 3.3Å; D707-Y712 WeakPolarHBondContact CB-O 3.35Å; D707-Y712 PolarHBondContact N-O 2.65Å; D707-F752 HydrophobicContact CB-CD2 4.33Å; D707-F752 HydrophobicContact CB-CE1 4.25Å; D707-F752 HydrophobicContact CB-CE2 4Å; D707-F752 HydrophobicContact CB-CZ 3.95Å; D707-F752 VanDerWaalsContact N-CD2 3.27Å
708	P	90.1	Very high	95.4	Very high	58 Å²	58	28.9 Å²	28.9	38%	0.377	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-30.7	170.1	-25.7	26.7	0	0	0	114.8	P754	P708-P754 HydrophobicContact CG-CB 4.29Å
709	K	90.1	Very high	95.4	Very high	153 Å²	153	24.5 Å²	24.5	67%	0.665	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-15.8	176.8	-61.6	178.6	178.6	179.6	0	114.4	N667 D707 T711	N667-K709 PolarHBondContact ND2-O 3.07Å; D707-K709 PolarHBondContact O-N 3.47Å; D707-K709 WeakPolarHBondContact OD1-CB 3.49Å; D707-K709 PolarHBondContact OD1-N 3.02Å; K709-T711 VanDerWaalsContact C-N 3.33Å
710	G	90.6	Very high	95.5	Very high	5 Å²	5	23.4 Å²	23.4	5%	0.052	12%	0.123	C	C	.	.	S	Bend	trans	78	6.6	-174	0	0	0	0	0	115.4	H665 P666 D707 L727	H665-G710 PolarHBondContact NE2-O 2.84Å; P666-G710 VanDerWaalsContact CG-CA 3.5Å; D707-G710 PolarHBondContact O-N 3.3Å; G710-L727 WeakPolarHBondContact O-CD1 3.28Å
711	T	92.7	Very high	95.6	Very high	47 Å²	47	23.4 Å²	23.4	29%	0.288	12%	0.123	S	C	.	.	S	Bend	trans	-79.8	-32.8	-179.2	-49.7	0	0	0	0	112.6	K709 L727	K709-T711 VanDerWaalsContact C-N 3.33Å; T711-L727 PolarHBondContact O-N 3.2Å
712	Y	94.6	Very high	95.6	Very high	57 Å²	57	23.8 Å²	23.8	22%	0.224	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.5	-175.5	-61.2	-83	0	0	0	113.7	D707 L724 W725 M726 L727 V733	D707-Y712 WeakPolarHBondContact CB-O 3.35Å; D707-Y712 PolarHBondContact N-O 2.65Å; Y712-L724 HydrophobicContact CD1-CD1 4.14Å; Y712-L724 HydrophobicContact CD1-CD2 4.21Å; Y712-L724 HydrophobicContact CD1-CG 4.07Å; Y712-L724 HydrophobicContact CG-CD1 4.26Å; Y712-W725 CarbonylContact C-O 3.59Å; Y712-W725 VanDerWaalsContact CA-O 3.26Å; Y712-W725 WeakPolarHBondContact CA-O 3.37Å; Y712-M726 HydrophobicContact CD1-CB 4.49Å; Y712-M726 HydrophobicContact CE1-CB 4.35Å; Y712-M726 HydrophobicContact CE1-CE 3.89Å; Y712-L727 VanDerWaalsContact C-CD1 3.49Å; Y712-L727 WeakPolarHBondContact O-CD1 3.34Å; Y712-V733 HydrophobicContact CE1-CG2 4.49Å
713	L	96.7	Very high	95.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.6	169.9	174.2	78.7	0	0	0	108.2	V663 I672 I680 F682 L704 T706 W725 L727	V663-L713 HydrophobicContact CG2-CD1 4.45Å; I672-L713 HydrophobicContact CD1-CD1 4.07Å; I672-L713 HydrophobicContact CG2-CD1 4.48Å; I672-L713 HydrophobicContact CG2-CD2 4.14Å; I680-L713 HydrophobicContact CD1-CD2 4.33Å; I680-L713 HydrophobicContact CG2-CD2 4.19Å; F682-L713 HydrophobicContact CZ-CD2 4.16Å; L704-L713 HydrophobicContact CB-CD1 4.39Å; L704-L713 HydrophobicContact CD2-CD1 4.35Å; L704-L713 HydrophobicContact CD2-CD2 4.43Å; T706-L713 HydrophobicContact CG2-CD1 3.82Å; L713-W725 HydrophobicContact CB-CB 4.3Å; L713-W725 PolarHBondContact N-O 3.47Å; L713-W725 PolarHBondContact O-N 3.21Å; L713-L727 HydrophobicContact CB-CD1 4.09Å; L713-L727 HydrophobicContact CB-CD2 3.85Å; L713-L727 HydrophobicContact CB-CG 3.94Å; L713-L727 HydrophobicContact CD2-CD2 4.42Å
714	I	97.3	Very high	95.6	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.9	167.4	-61.3	158.5	0	0	0	108.6	L704 T705 V722 R723 L724 V750 F752 I759	L704-I714 WeakPolarHBondContact CA-O 3.4Å; T705-I714 HydrophobicContact CG2-CB 3.79Å; T705-I714 HydrophobicContact CG2-CD1 3.89Å; T705-I714 HydrophobicContact CG2-CG1 4.35Å; T705-I714 PolarHBondContact N-O 2.81Å; T705-I714 VanDerWaalsContact N-O 3.1Å; T705-I714 PolarHBondContact O-N 3.49Å; I714-V722 HydrophobicContact CG2-CG1 3.41Å; I714-V722 VanDerWaalsContact CG2-CG1 3.41Å; I714-R723 WeakPolarHBondContact CA-O 3.25Å; I714-L724 HydrophobicContact CG1-CD1 3.72Å; I714-V750 HydrophobicContact CG2-CB 3.89Å; I714-V750 HydrophobicContact CG2-CG1 3.93Å; I714-V750 HydrophobicContact CG2-CG2 4.04Å; I714-F752 HydrophobicContact CB-CE2 4.3Å; I714-F752 HydrophobicContact CD1-CD1 3.96Å; I714-F752 HydrophobicContact CD1-CD2 3.61Å; I714-F752 HydrophobicContact CD1-CE1 3.68Å; I714-F752 HydrophobicContact CD1-CE2 3.3Å; I714-F752 HydrophobicContact CD1-CG 3.94Å; I714-F752 HydrophobicContact CD1-CZ 3.36Å; I714-F752 HydrophobicContact CG1-CD2 4.27Å; I714-F752 HydrophobicContact CG1-CE1 4.24Å; I714-F752 HydrophobicContact CG1-CE2 3.5Å; I714-F752 VanDerWaalsContact CG1-CE2 3.5Å; I714-F752 HydrophobicContact CG1-CZ 3.49Å; I714-F752 VanDerWaalsContact CG1-CZ 3.49Å; I714-I759 HydrophobicContact CD1-CB 4.23Å; I714-I759 HydrophobicContact CD1-CD1 3.54Å; I714-I759 HydrophobicContact CD1-CG1 3.63Å; I714-I759 HydrophobicContact CD1-CG2 3.62Å; I714-I759 HydrophobicContact CG1-CD1 4.21Å
715	S	98.1	Very high	95.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.4	165.9	60.8	0	0	0	0	111.6	H697 C703 V722 R723 W725	H697-S715 PolarHBondContact CD2-OG 2.91Å; H697-S715 WeakPolarHBondContact NE2-CB 3.39Å; H697-S715 PolarHBondContact NE2-OG 3.41Å; C703-S715 WeakPolarHBondContact O-CA 3.37Å; S715-V722 CarbonylContact O-C 3.49Å; S715-V722 WeakPolarHBondContact O-CA 3.39Å; S715-R723 PolarHBondContact N-O 3.46Å; S715-R723 PolarHBondContact O-N 3.29Å; S715-W725 PolarHBondContact OG-NE1 2.96Å
716	G	97.9	Very high	95.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	152.9	169.4	0	0	0	0	0	111.2	T702 C703	T702-G716 PolarHBondContact N-O 3.22Å; T702-G716 PolarHBondContact OG1-O 2.65Å; C703-G716 PolarHBondContact N-O 3.41Å; C703-G716 PolarHBondContact O-N 3.02Å; C703-G716 VanDerWaalsContact SG-CA 3.56Å
717	S	97.7	Very high	95.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	160.6	-171.5	174.1	0	0	0	0	113.5	H697 D699 A700 D719 C720 S721 I747	H697-S717 WeakPolarHBondContact ND1-CB 3.3Å; D699-S717 PolarHBondContact O-OG 2.71Å; A700-S717 WeakPolarHBondContact O-CA 3.34Å; A700-S717 WeakPolarHBondContact O-CB 3.3Å; A700-S717 PolarHBondContact O-OG 3.13Å; S717-D719 WeakPolarHBondContact CB-OD1 3.38Å; S717-D719 PolarHBondContact O-N 2.9Å; S717-D719 PolarHBondContact OG-N 2.95Å; S717-C720 PolarHBondContact O-N 3.46Å; S717-S721 PolarHBondContact N-O 2.96Å; S717-I747 WeakPolarHBondContact O-CG1 3.14Å
718	H	97.2	Very high	95.1	Very high	29 Å²	29	30.2 Å²	30.2	13%	0.134	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.2	165.2	-71.6	-16.1	0	0	0	113.9	D699 A700 T702 C720 K741 A746	D699-H718 HydrophobicContact CB-CB 4.11Å; A700-H718 PolarHBondContact O-N 2.91Å; T702-H718 WeakPolarHBondContact CG2-CE1 3.43Å; T702-H718 WeakPolarHBondContact CG2-ND1 3.33Å; H718-C720 PolarHBondContact O-N 2.91Å; H718-K741 WeakPolarHBondContact O-CE 3.32Å; H718-A746 PolarHBondContact ND1-N 2.95Å
719	D	96.6	Very high	95.1	Very high	34 Å²	34	31.2 Å²	31.2	18%	0.182	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	5	169.7	74.6	15	0	0	0	114.4	H697 L698 D699 S717 S721	H697-D719 VanDerWaalsContact CB-OD2 3.31Å; H697-D719 WeakPolarHBondContact CB-OD2 3.46Å; H697-D719 IonicContact CE1-OD1 3.8Å; H697-D719 IonicContact CG-OD2 3.62Å; H697-D719 IonicContact ND1-OD1 2.87Å; H697-D719 PolarHBondContact ND1-OD1 3.05Å; H697-D719 IonicContact ND1-OD2 3.98Å; H697-D719 PolarHBondContact ND1-OD2 3.01Å; L698-D719 HydrophobicContact CB-CB 3.96Å; L698-D719 PolarHBondContact N-OD2 3.23Å; D699-D719 HydrophobicContact CB-CB 3.81Å; S717-D719 WeakPolarHBondContact CB-OD1 3.38Å; S717-D719 PolarHBondContact O-N 2.9Å; S717-D719 PolarHBondContact OG-N 2.95Å; D719-S721 PolarHBondContact O-N 3.5Å; D719-S721 WeakPolarHBondContact OD1-CA 3.4Å; D719-S721 VanDerWaalsContact OD1-CB 3.24Å; D719-S721 WeakPolarHBondContact OD1-CB 3.44Å; D719-S721 PolarHBondContact OD1-N 3.43Å; D719-S721 PolarHBondContact OD1-OG 2.99Å; D719-S721 PolarHBondContact OD2-OG 3.47Å
720	C	96.8	Very high	95.1	Very high	18 Å²	18	28.9 Å²	28.9	12%	0.122	14%	0.142	C	C	.	.	S	Bend	trans	67.5	4.8	-178	-54.7	0	0	0	0	115	S717 H718 T737 A738 H739 K741 A746	S717-C720 PolarHBondContact O-N 3.46Å; H718-C720 PolarHBondContact O-N 2.91Å; C720-T737 HydrophobicContact CB-CG2 4.33Å; C720-T737 CarbonylContact O-C 3.58Å; C720-A738 PolarHBondContact O-N 2.95Å; C720-H739 WeakPolarHBondContact CB-O 3.39Å; C720-H739 PolarHBondContact O-N 3.12Å; C720-K741 PolarHBondContact SG-N 3.33Å; C720-K741 VanDerWaalsContact SG-N 3.35Å; C720-A746 HydrophobicContact CB-CB 4.38Å; C720-A746 VanDerWaalsContact SG-CB 3.51Å
721	S	96.8	Very high	95.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	144	176.4	77.9	0	0	0	0	113.2	H697 S717 D719 R723 I736 I747	H697-S721 PolarHBondContact CE1-O 3.4Å; H697-S721 PolarHBondContact CE1-OG 2.94Å; H697-S721 PolarHBondContact ND1-OG 3Å; H697-S721 VanDerWaalsContact ND1-OG 3.16Å; S717-S721 PolarHBondContact N-O 2.96Å; D719-S721 PolarHBondContact O-N 3.5Å; D719-S721 WeakPolarHBondContact OD1-CA 3.4Å; D719-S721 VanDerWaalsContact OD1-CB 3.24Å; D719-S721 WeakPolarHBondContact OD1-CB 3.44Å; D719-S721 PolarHBondContact OD1-N 3.43Å; D719-S721 PolarHBondContact OD1-OG 2.99Å; D719-S721 PolarHBondContact OD2-OG 3.47Å; S721-R723 PolarHBondContact OG-NE 3.49Å; S721-I736 CarbonylContact C-O 3.52Å; S721-I736 WeakPolarHBondContact CA-O 3.41Å; S721-I747 VanDerWaalsContact O-CD1 3.3Å; S721-I747 WeakPolarHBondContact O-CD1 3.05Å
722	V	97.8	Very high	95.3	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.042	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.8	159.9	177.1	0	0	0	0	106.7	I714 S715 I736 A738 I747 V750	I714-V722 HydrophobicContact CG2-CG1 3.41Å; I714-V722 VanDerWaalsContact CG2-CG1 3.41Å; S715-V722 CarbonylContact O-C 3.49Å; S715-V722 WeakPolarHBondContact O-CA 3.39Å; V722-I736 PolarHBondContact N-O 3.02Å; V722-I736 PolarHBondContact O-N 3.35Å; V722-A738 HydrophobicContact CB-CB 4.39Å; V722-A738 HydrophobicContact CG2-CB 3.59Å; V722-I747 HydrophobicContact CG2-CD1 3.83Å; V722-V750 HydrophobicContact CG1-CG1 4.37Å; V722-V750 HydrophobicContact CG2-CG1 4.25Å
723	R	97.2	Very high	95.3	Very high	31 Å²	31	32.4 Å²	32.4	12%	0.117	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.5	179.9	-68.5	178	-177.4	-153.6	-11	110.5	A696 H697 I714 S715 S721 W725 Q734 E735	A696-R723 VanDerWaalsContact O-CD 3.28Å; A696-R723 WeakPolarHBondContact O-CD 3.38Å; A696-R723 PolarHBondContact O-NH1 3.17Å; H697-R723 VanDerWaalsContact CE1-CD 3.44Å; H697-R723 WeakPolarHBondContact CE1-CD 3.5Å; I714-R723 WeakPolarHBondContact CA-O 3.25Å; S715-R723 PolarHBondContact N-O 3.46Å; S715-R723 PolarHBondContact O-N 3.29Å; S721-R723 PolarHBondContact OG-NE 3.49Å; R723-W725 HydrophobicContact CB-CZ2 4.16Å; R723-Q734 WeakPolarHBondContact CA-O 3.36Å; R723-E735 HydrophobicContact CG-CB 4.14Å; R723-E735 HydrophobicContact CG-CG 3.96Å; R723-E735 IonicContact CZ-OE1 3.59Å; R723-E735 IonicContact CZ-OE2 2.87Å; R723-E735 IonicContact NE-OE1 3.6Å; R723-E735 PolarHBondContact NE-OE1 2.95Å; R723-E735 IonicContact NE-OE2 2.71Å; R723-E735 IonicContact NH2-OE1 3.32Å; R723-E735 PolarHBondContact NH2-OE1 3.19Å; R723-E735 IonicContact NH2-OE2 3.84Å; R723-E735 PolarHBondContact NH2-OE2 3.35Å; R723-E735 VanDerWaalsContact NH2-OE2 3.13Å
724	L	96.4	Very high	95.2	Very high	12 Å²	12	34 Å²	34	6%	0.063	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.2	176.8	-176.8	71.8	0	0	0	109.3	Y712 I714 C732 V733 Q734 F752 I759	Y712-L724 HydrophobicContact CD1-CD1 4.14Å; Y712-L724 HydrophobicContact CD1-CD2 4.21Å; Y712-L724 HydrophobicContact CD1-CG 4.07Å; Y712-L724 HydrophobicContact CG-CD1 4.26Å; I714-L724 HydrophobicContact CG1-CD1 3.72Å; L724-C732 CarbonylContact O-C 3.54Å; L724-V733 PolarHBondContact O-N 3.42Å; L724-Q734 HydrophobicContact CB-CB 4.3Å; L724-Q734 PolarHBondContact N-O 3.23Å; L724-Q734 PolarHBondContact O-N 2.77Å; L724-F752 HydrophobicContact CD1-CE1 4.47Å; L724-F752 HydrophobicContact CD1-CZ 3.92Å; L724-I759 HydrophobicContact CD1-CD1 4.48Å
725	W	96.2	Very high	95.1	Very high	20 Å²	20	38.7 Å²	38.7	8%	0.076	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.6	-178.2	-53.2	83.2	0	0	0	110.3	M694 A696 Y712 L713 S715 R723 T731 C732	M694-W725 HydrophobicContact CE-CE3 4.05Å; M694-W725 HydrophobicContact CE-CZ3 4.27Å; M694-W725 HydrophobicContact SD-CD2 4.14Å; M694-W725 HydrophobicContact SD-CE3 3.69Å; M694-W725 HydrophobicContact SD-CH2 4.14Å; M694-W725 HydrophobicContact SD-CZ3 3.68Å; A696-W725 HydrophobicContact CB-CH2 4.18Å; A696-W725 HydrophobicContact CB-CZ2 3.73Å; A696-W725 VanDerWaalsContact O-CZ2 3.31Å; A696-W725 WeakPolarHBondContact O-CZ2 3.36Å; Y712-W725 CarbonylContact C-O 3.59Å; Y712-W725 VanDerWaalsContact CA-O 3.26Å; Y712-W725 WeakPolarHBondContact CA-O 3.37Å; L713-W725 HydrophobicContact CB-CB 4.3Å; L713-W725 PolarHBondContact N-O 3.47Å; L713-W725 PolarHBondContact O-N 3.21Å; S715-W725 PolarHBondContact OG-NE1 2.96Å; R723-W725 HydrophobicContact CB-CZ2 4.16Å; W725-T731 VanDerWaalsContact CA-O 3.28Å; W725-T731 WeakPolarHBondContact CA-O 3.47Å; W725-C732 HydrophobicContact CD2-CB 4.16Å; W725-C732 HydrophobicContact CE3-CB 3.77Å; W725-C732 HydrophobicContact CH2-CB 3.83Å; W725-C732 HydrophobicContact CZ2-CB 4.22Å; W725-C732 HydrophobicContact CZ3-CB 3.61Å
726	M	94.1	Very high	95	Very high	18 Å²	18	40.1 Å²	40.1	9%	0.089	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.7	167.5	174.3	169.3	-79.4	0	0	108.7	F444 Y712 N729 R730 T731 V733	F444-M726 HydrophobicContact CE1-CE 3.65Å; F444-M726 HydrophobicContact CE1-SD 4.14Å; F444-M726 HydrophobicContact CZ-CE 3.72Å; F444-M726 HydrophobicContact CZ-SD 4.02Å; Y712-M726 HydrophobicContact CD1-CB 4.49Å; Y712-M726 HydrophobicContact CE1-CB 4.35Å; Y712-M726 HydrophobicContact CE1-CE 3.89Å; M726-N729 WeakPolarHBondContact CB-OD1 3.5Å; M726-N729 PolarHBondContact O-OD1 2.9Å; M726-N729 PolarHBondContact SD-ND2 2.72Å; M726-R730 VanDerWaalsContact O-CA 3.25Å; M726-R730 WeakPolarHBondContact O-CA 3.38Å; M726-R730 PolarHBondContact O-N 3.17Å; M726-T731 PolarHBondContact N-O 2.9Å; M726-V733 HydrophobicContact CB-CG2 3.69Å
727	L	92.6	Very high	94.9	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.089	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-34.6	-168.4	-80.8	163.6	0	0	0	113.4	I672 F682 T706 G710 T711 Y712 L713 N729	I672-L727 HydrophobicContact CD1-CD2 4.06Å; F682-L727 HydrophobicContact CE1-CD2 3.59Å; F682-L727 HydrophobicContact CZ-CD2 4.2Å; T706-L727 HydrophobicContact CG2-CD1 4.5Å; G710-L727 WeakPolarHBondContact O-CD1 3.28Å; T711-L727 PolarHBondContact O-N 3.2Å; Y712-L727 VanDerWaalsContact C-CD1 3.49Å; Y712-L727 WeakPolarHBondContact O-CD1 3.34Å; L713-L727 HydrophobicContact CB-CD1 4.09Å; L713-L727 HydrophobicContact CB-CD2 3.85Å; L713-L727 HydrophobicContact CB-CG 3.94Å; L713-L727 HydrophobicContact CD2-CD2 4.42Å; L727-N729 PolarHBondContact O-N 3.41Å
728	D	89.4	Confident	94.7	Very high	127 Å²	127	45.6 Å²	45.6	68%	0.679	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-47.3	180	-57.9	-40.2	0	0	0	112.6
729	N	89.4	Confident	94.6	Very high	78 Å²	78	44.6 Å²	44.6	42%	0.417	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-5.9	-174.5	68.5	18.9	0	0	0	113.9	M726 L727 T731	M726-N729 WeakPolarHBondContact CB-OD1 3.5Å; M726-N729 PolarHBondContact O-OD1 2.9Å; M726-N729 PolarHBondContact SD-ND2 2.72Å; L727-N729 PolarHBondContact O-N 3.41Å; N729-T731 VanDerWaalsContact C-N 3.25Å; N729-T731 HydrophobicContact CB-CG2 4.41Å; N729-T731 PolarHBondContact ND2-OG1 2.84Å; N729-T731 PolarHBondContact O-N 3.32Å; N729-T731 WeakPolarHBondContact OD1-CB 3.45Å; N729-T731 PolarHBondContact OD1-N 2.92Å; N729-T731 PolarHBondContact OD1-OG1 3.46Å
730	R	91.9	Very high	94.5	Very high	105 Å²	105	52.3 Å²	52.3	40%	0.396	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	28.2	177	-63.2	145.4	-164.6	-177.8	3.7	114.1	M694 M726	M694-R730 HydrophobicContact CE-CB 3.62Å; M694-R730 HydrophobicContact CE-CG 4.26Å; M694-R730 VanDerWaalsContact CE-O 3.32Å; M694-R730 WeakPolarHBondContact CE-O 3.26Å; M726-R730 VanDerWaalsContact O-CA 3.25Å; M726-R730 WeakPolarHBondContact O-CA 3.38Å; M726-R730 PolarHBondContact O-N 3.17Å
731	T	92.5	Very high	94.4	Very high	67 Å²	67	55.3 Å²	55.3	41%	0.411	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	144.9	179	65.2	0	0	0	0	112.5	W725 M726 N729 V733	W725-T731 VanDerWaalsContact CA-O 3.28Å; W725-T731 WeakPolarHBondContact CA-O 3.47Å; M726-T731 PolarHBondContact N-O 2.9Å; N729-T731 VanDerWaalsContact C-N 3.25Å; N729-T731 HydrophobicContact CB-CG2 4.41Å; N729-T731 PolarHBondContact ND2-OG1 2.84Å; N729-T731 PolarHBondContact O-N 3.32Å; N729-T731 WeakPolarHBondContact OD1-CB 3.45Å; N729-T731 PolarHBondContact OD1-N 2.92Å; N729-T731 PolarHBondContact OD1-OG1 3.46Å; T731-V733 PolarHBondContact O-N 2.72Å
732	C	94.5	Very high	94.2	Very high	52 Å²	52	58.2 Å²	58.2	35%	0.351	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	112.3	168.2	-178.1	0	0	0	0	108.9	L724 W725	L724-C732 CarbonylContact O-C 3.54Å; W725-C732 HydrophobicContact CD2-CB 4.16Å; W725-C732 HydrophobicContact CE3-CB 3.77Å; W725-C732 HydrophobicContact CH2-CB 3.83Å; W725-C732 HydrophobicContact CZ2-CB 4.22Å; W725-C732 HydrophobicContact CZ3-CB 3.61Å
733	V	93.5	Very high	93.9	Very high	64 Å²	64	65.6 Å²	65.6	39%	0.388	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-36.2	178.7	-178.4	0	0	0	0	110.7	Y712 L724 M726 T731	Y712-V733 HydrophobicContact CE1-CG2 4.49Å; L724-V733 PolarHBondContact O-N 3.42Å; M726-V733 HydrophobicContact CB-CG2 3.69Å; T731-V733 PolarHBondContact O-N 2.72Å
734	Q	94.7	Very high	93.7	Very high	33 Å²	33	69.9 Å²	69.9	15%	0.154	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	140.9	-177.7	-172.7	176.9	-11.4	0	0	112.2	T447 W448 R723 L724 I736	T447-Q734 VanDerWaalsContact CG2-NE2 3.31Å; W448-Q734 PolarHBondContact O-NE2 3.47Å; R723-Q734 WeakPolarHBondContact CA-O 3.36Å; L724-Q734 HydrophobicContact CB-CB 4.3Å; L724-Q734 PolarHBondContact N-O 3.23Å; L724-Q734 PolarHBondContact O-N 2.77Å; Q734-I736 HydrophobicContact CG-CD1 4.44Å; Q734-I736 HydrophobicContact CG-CG1 3.98Å
735	E	95.6	Very high	93.6	Very high	100 Å²	100	71.9 Å²	71.9	47%	0.467	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.6	169.4	178.3	172.8	-170.8	0	0	109.8	R723	R723-E735 HydrophobicContact CG-CB 4.14Å; R723-E735 HydrophobicContact CG-CG 3.96Å; R723-E735 IonicContact CZ-OE1 3.59Å; R723-E735 IonicContact CZ-OE2 2.87Å; R723-E735 IonicContact NE-OE1 3.6Å; R723-E735 PolarHBondContact NE-OE1 2.95Å; R723-E735 IonicContact NE-OE2 2.71Å; R723-E735 IonicContact NH2-OE1 3.32Å; R723-E735 PolarHBondContact NH2-OE1 3.19Å; R723-E735 IonicContact NH2-OE2 3.84Å; R723-E735 PolarHBondContact NH2-OE2 3.35Å; R723-E735 VanDerWaalsContact NH2-OE2 3.13Å
736	I	95.6	Very high	93.6	Very high	29 Å²	29	70.9 Å²	70.9	15%	0.149	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	114.2	-178.7	-46.1	178.2	0	0	0	109.6	W448 S721 V722 Q734 A738 F771	W448-I736 HydrophobicContact CB-CD1 4.17Å; S721-I736 CarbonylContact C-O 3.52Å; S721-I736 WeakPolarHBondContact CA-O 3.41Å; V722-I736 PolarHBondContact N-O 3.02Å; V722-I736 PolarHBondContact O-N 3.35Å; Q734-I736 HydrophobicContact CG-CD1 4.44Å; Q734-I736 HydrophobicContact CG-CG1 3.98Å; I736-A738 PolarHBondContact O-N 2.62Å; I736-F771 HydrophobicContact CD1-CD1 3.99Å; I736-F771 HydrophobicContact CD1-CE1 4.26Å; I736-F771 HydrophobicContact CG2-CD1 4.4Å; I736-F771 HydrophobicContact CG2-CE1 3.8Å
737	T	95.8	Very high	93.8	Very high	112 Å²	112	70 Å²	70	69%	0.687	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	103.6	169.5	-43.6	0	0	0	0	109.4	C720	C720-T737 HydrophobicContact CB-CG2 4.33Å; C720-T737 CarbonylContact O-C 3.58Å
738	A	93.5	Very high	94	Very high	4 Å²	4	70 Å²	70	3%	0.033	35%	0.345	C	S	.	.			trans	-96.8	-54.8	-168	0	0	0	0	0	112.4	C720 V722 I736 I747 K769 F771	C720-A738 PolarHBondContact O-N 2.95Å; V722-A738 HydrophobicContact CB-CB 4.39Å; V722-A738 HydrophobicContact CG2-CB 3.59Å; I736-A738 PolarHBondContact O-N 2.62Å; A738-I747 HydrophobicContact CB-CD1 4.36Å; A738-K769 WeakPolarHBondContact O-CD 3.48Å; A738-K769 WeakPolarHBondContact O-CE 3.08Å; A738-K769 PolarHBondContact O-NZ 2.88Å; A738-F771 HydrophobicContact CB-CZ 4.07Å
739	H	95.7	Very high	94.4	Very high	8 Å²	8	64.4 Å²	64.4	4%	0.037	32%	0.315	C	S	.	.	S	Bend	trans	-112.8	-175	-171.3	-69.5	-88.5	0	0	0	112.3	C720 I747 S761 D765 L767	C720-H739 WeakPolarHBondContact CB-O 3.39Å; C720-H739 PolarHBondContact O-N 3.12Å; H739-I747 HydrophobicContact CB-CG1 4.01Å; H739-S761 PolarHBondContact CD2-OG 3.44Å; H739-S761 PolarHBondContact NE2-O 3.2Å; H739-S761 PolarHBondContact NE2-OG 3.24Å; H739-D765 IonicContact CE1-OD1 3.13Å; H739-D765 IonicContact CG-OD1 3.3Å; H739-D765 IonicContact ND1-OD1 3.87Å; H739-D765 PolarHBondContact ND1-OD1 2.96Å; H739-D765 IonicContact ND1-OD2 2.83Å; H739-L767 PolarHBondContact CE1-O 2.89Å
740	R	94	Very high	94.8	Very high	196 Å²	196	60.8 Å²	60.8	74%	0.74	30%	0.296	S	S	*	.			trans	-115.3	143.8	170.5	-65.2	-179.9	174.1	-179.7	-1.2	110.6	D765	R740-D765 HydrophobicContact CB-CB 4.18Å; R740-D765 PolarHBondContact N-OD2 3.04Å
741	K	94.8	Very high	95.1	Very high	81 Å²	81	56.3 Å²	56.3	35%	0.352	28%	0.281	S	S	.	.			trans	-68.2	129.7	174.4	-140.7	170.9	-161.9	-157.1	0	110.5	D699 H718 C720 D744 E745 A746	D699-K741 IonicContact OD2-NZ 3.2Å; D699-K741 PolarHBondContact OD2-NZ 3.11Å; H718-K741 WeakPolarHBondContact O-CE 3.32Å; C720-K741 PolarHBondContact SG-N 3.33Å; C720-K741 VanDerWaalsContact SG-N 3.35Å; K741-D744 WeakPolarHBondContact CE-O 3.24Å; K741-D744 VanDerWaalsContact CE-OD1 3.31Å; K741-D744 WeakPolarHBondContact CE-OD1 3.39Å; K741-D744 VanDerWaalsContact NZ-CG 3.33Å; K741-D744 PolarHBondContact NZ-O 2.92Å; K741-D744 VanDerWaalsContact NZ-O 3.15Å; K741-D744 IonicContact NZ-OD1 3.69Å; K741-D744 PolarHBondContact NZ-OD1 3.27Å; K741-D744 IonicContact NZ-OD2 2.79Å; K741-E745 CarbonylContact C-O 3.59Å; K741-E745 WeakPolarHBondContact CA-O 3.36Å; K741-E745 WeakPolarHBondContact CG-O 3.47Å; K741-A746 HydrophobicContact CG-CB 4.25Å
742	K	94.1	Very high	95.2	Very high	62 Å²	62	54.2 Å²	54.2	27%	0.27	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-139.3	128.6	176.3	180	-161.4	177	-173.7	0	107.2	D459 D744 E745 A764	D459-K742 IonicContact OD1-NZ 2.91Å; D459-K742 PolarHBondContact OD1-NZ 2.93Å; D459-K742 IonicContact OD2-NZ 3.76Å; K742-D744 PolarHBondContact O-N 3.44Å; K742-E745 PolarHBondContact N-O 2.99Å; K742-E745 PolarHBondContact O-N 3.47Å; K742-E745 VanDerWaalsContact O-O 3.09Å; K742-A764 HydrophobicContact CB-CB 3.98Å; K742-A764 WeakPolarHBondContact CD-O 3.41Å
743	H	90.9	Very high	95.3	Very high	161 Å²	161	52 Å²	52	75%	0.745	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	35.3	-177.8	-50.6	150.4	0	0	0	114.3	E745	H743-E745 PolarHBondContact O-N 3.36Å
744	D	91.8	Very high	95.2	Very high	121 Å²	121	52 Å²	52	65%	0.647	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	8.7	-172.7	-142.7	34.3	0	0	0	116.4	K741 K742	K741-D744 WeakPolarHBondContact CE-O 3.24Å; K741-D744 VanDerWaalsContact CE-OD1 3.31Å; K741-D744 WeakPolarHBondContact CE-OD1 3.39Å; K741-D744 VanDerWaalsContact NZ-CG 3.33Å; K741-D744 PolarHBondContact NZ-O 2.92Å; K741-D744 VanDerWaalsContact NZ-O 3.15Å; K741-D744 IonicContact NZ-OD1 3.69Å; K741-D744 PolarHBondContact NZ-OD1 3.27Å; K741-D744 IonicContact NZ-OD2 2.79Å; K742-D744 PolarHBondContact O-N 3.44Å
745	E	95.1	Very high	94.9	Very high	54 Å²	54	54.4 Å²	54.4	25%	0.252	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-100.7	165.8	166.9	-58.6	-176.7	157.3	0	0	111.3	R462 K741 K742 H743 H748 A764	R462-E745 IonicContact CZ-OE1 3.61Å; R462-E745 IonicContact CZ-OE2 2.65Å; R462-E745 IonicContact NH1-OE1 2.57Å; R462-E745 PolarHBondContact NH1-OE1 2.91Å; R462-E745 IonicContact NH1-OE2 3.77Å; R462-E745 PolarHBondContact NH1-OE2 3.4Å; R462-E745 IonicContact NH2-OE1 3.81Å; R462-E745 PolarHBondContact NH2-OE1 2.81Å; R462-E745 IonicContact NH2-OE2 2.68Å; R462-E745 PolarHBondContact NH2-OE2 3.36Å; K741-E745 CarbonylContact C-O 3.59Å; K741-E745 WeakPolarHBondContact CA-O 3.36Å; K741-E745 WeakPolarHBondContact CG-O 3.47Å; K742-E745 PolarHBondContact N-O 2.99Å; K742-E745 PolarHBondContact O-N 3.47Å; K742-E745 VanDerWaalsContact O-O 3.09Å; H743-E745 PolarHBondContact O-N 3.36Å; E745-H748 IonicContact OE2-CE1 3.4Å; E745-H748 PolarHBondContact OE2-CE1 3.5Å; E745-H748 IonicContact OE2-NE2 2.75Å; E745-A764 HydrophobicContact CB-CB 4.01Å
746	A	96.3	Very high	94.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.			trans	-149.3	-54.9	176.2	0	0	0	0	0	115.5	H718 C720 K741 G763 A764	H718-A746 PolarHBondContact ND1-N 2.95Å; C720-A746 HydrophobicContact CB-CB 4.38Å; C720-A746 VanDerWaalsContact SG-CB 3.51Å; K741-A746 HydrophobicContact CG-CB 4.25Å; A746-G763 CarbonylContact O-C 3.5Å; A746-G763 WeakPolarHBondContact O-CA 3.36Å; A746-A764 PolarHBondContact O-N 3.16Å
747	I	97.9	Very high	94.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.4	-178.3	-56	178.7	0	0	0	107.8	T702 S717 S721 V722 A738 H739 V750 A762	T702-I747 WeakPolarHBondContact CB-O 3.24Å; T702-I747 PolarHBondContact OG1-O 2.91Å; S717-I747 WeakPolarHBondContact O-CG1 3.14Å; S721-I747 VanDerWaalsContact O-CD1 3.3Å; S721-I747 WeakPolarHBondContact O-CD1 3.05Å; V722-I747 HydrophobicContact CG2-CD1 3.83Å; A738-I747 HydrophobicContact CB-CD1 4.36Å; H739-I747 HydrophobicContact CB-CG1 4.01Å; I747-V750 HydrophobicContact CG2-CG1 4.43Å; I747-A762 WeakPolarHBondContact CA-O 3.29Å; I747-A762 WeakPolarHBondContact CG2-O 3.21Å
748	H	97.6	Very high	94.3	Very high	17 Å²	17	49.9 Å²	49.9	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-30.4	179.7	-56.7	-60	0	0	0	113	I461 R462 R661 C703 E745 A762 A764	I461-H748 PolarHBondContact O-CD2 3.47Å; I461-H748 VanDerWaalsContact O-CD2 3.27Å; R462-H748 PolarHBondContact NH1-CE1 3.09Å; R462-H748 PolarHBondContact NH1-ND1 3.37Å; R462-H748 WeakPolarHBondContact O-CB 3.36Å; R661-H748 PolarHBondContact NH2-O 3.04Å; R661-H748 VanDerWaalsContact NH2-O 3.13Å; C703-H748 VanDerWaalsContact CB-O 3.31Å; C703-H748 WeakPolarHBondContact CB-O 3.46Å; E745-H748 IonicContact OE2-CE1 3.4Å; E745-H748 PolarHBondContact OE2-CE1 3.5Å; E745-H748 IonicContact OE2-NE2 2.75Å; H748-A762 PolarHBondContact N-O 3.08Å; H748-A764 WeakPolarHBondContact NE2-CA 3.36Å; H748-A764 WeakPolarHBondContact NE2-CB 3.36Å; H748-A764 PolarHBondContact NE2-N 3.03Å
749	D	98.1	Very high	94.4	Very high	9 Å²	9	50 Å²	50	5%	0.048	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	153.1	-175	-156.1	11.4	0	0	0	113.9	A463 L464 R661 S761 A762	A463-D749 VanDerWaalsContact CA-OD2 3.27Å; A463-D749 WeakPolarHBondContact CA-OD2 3.4Å; L464-D749 HydrophobicContact CD1-CB 4.28Å; L464-D749 HydrophobicContact CG-CB 4.17Å; L464-D749 PolarHBondContact N-OD2 2.92Å; R661-D749 IonicContact CZ-OD1 2.88Å; R661-D749 IonicContact NH1-OD1 3.76Å; R661-D749 PolarHBondContact NH1-OD1 3.31Å; R661-D749 IonicContact NH2-OD1 3.79Å; R661-D749 PolarHBondContact NH2-OD1 2.87Å; D749-S761 CarbonylContact O-C 3.59Å; D749-S761 WeakPolarHBondContact O-CA 3.43Å; D749-A762 HydrophobicContact CB-CB 4.13Å; D749-A762 PolarHBondContact N-O 3.44Å; D749-A762 PolarHBondContact O-N 3.12Å
750	V	97.9	Very high	94.4	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	139.2	178.2	-74.1	0	0	0	0	109.6	C703 T705 I714 V722 I747 A760	C703-V750 HydrophobicContact CB-CG2 3.99Å; T705-V750 WeakPolarHBondContact CB-O 3.38Å; T705-V750 HydrophobicContact CG2-CB 4.1Å; T705-V750 HydrophobicContact CG2-CG2 3.83Å; T705-V750 WeakPolarHBondContact CG2-O 3.36Å; I714-V750 HydrophobicContact CG2-CB 3.89Å; I714-V750 HydrophobicContact CG2-CG1 3.93Å; I714-V750 HydrophobicContact CG2-CG2 4.04Å; V722-V750 HydrophobicContact CG1-CG1 4.37Å; V722-V750 HydrophobicContact CG2-CG1 4.25Å; I747-V750 HydrophobicContact CG2-CG1 4.43Å; V750-A760 VanDerWaalsContact CA-O 3.31Å; V750-A760 WeakPolarHBondContact CA-O 3.26Å
751	A	97.2	Very high	94.6	Very high	10 Å²	10	40.3 Å²	40.3	8%	0.083	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143.6	177.4	0	0	0	0	0	112.1	L464 F466 I759 A760	L464-A751 HydrophobicContact CD1-CB 3.45Å; L464-A751 VanDerWaalsContact CD1-CB 3.45Å; F466-A751 HydrophobicContact CD2-CB 3.85Å; F466-A751 HydrophobicContact CE2-CB 4.12Å; A751-I759 WeakPolarHBondContact O-CA 3.38Å; A751-A760 PolarHBondContact N-O 3.24Å; A751-A760 PolarHBondContact O-N 3.36Å
752	F	95.6	Very high	94.8	Very high	23 Å²	23	36.4 Å²	36.4	10%	0.101	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	146.3	156.6	-77.5	-81.4	0	0	0	110.1	F466 T705 T706 D707 I714 L724 I759	F466-F752 WeakPolarHBondContact CD2-O 3.47Å; T705-F752 HydrophobicContact CG2-CD2 3.78Å; T705-F752 HydrophobicContact CG2-CE2 4.24Å; T706-F752 WeakPolarHBondContact O-CD2 3.4Å; D707-F752 HydrophobicContact CB-CD2 4.33Å; D707-F752 HydrophobicContact CB-CE1 4.25Å; D707-F752 HydrophobicContact CB-CE2 4Å; D707-F752 HydrophobicContact CB-CZ 3.95Å; D707-F752 VanDerWaalsContact N-CD2 3.27Å; I714-F752 HydrophobicContact CB-CE2 4.3Å; I714-F752 HydrophobicContact CD1-CD1 3.96Å; I714-F752 HydrophobicContact CD1-CD2 3.61Å; I714-F752 HydrophobicContact CD1-CE1 3.68Å; I714-F752 HydrophobicContact CD1-CE2 3.3Å; I714-F752 HydrophobicContact CD1-CG 3.94Å; I714-F752 HydrophobicContact CD1-CZ 3.36Å; I714-F752 HydrophobicContact CG1-CD2 4.27Å; I714-F752 HydrophobicContact CG1-CE1 4.24Å; I714-F752 HydrophobicContact CG1-CE2 3.5Å; I714-F752 VanDerWaalsContact CG1-CE2 3.5Å; I714-F752 HydrophobicContact CG1-CZ 3.49Å; I714-F752 VanDerWaalsContact CG1-CZ 3.49Å; L724-F752 HydrophobicContact CD1-CE1 4.47Å; L724-F752 HydrophobicContact CD1-CZ 3.92Å; F752-I759 HydrophobicContact CD1-CD1 4.44Å; F752-I759 HydrophobicContact CD1-CG1 3.93Å; F752-I759 HydrophobicContact CE1-CD1 4Å; F752-I759 HydrophobicContact CE1-CG1 4Å
753	H	95.2	Very high	94.9	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.032	18%	0.183	C	C	.	.			trans	-79.6	134.1	163.7	-176.6	-36.4	0	0	0	109.7	F466 H467 Q470 S755 Q756 F758	F466-H753 HydrophobicContact CB-CB 4.18Å; F466-H753 HydrophobicContact CD1-CB 3.8Å; F466-H753 AromaticContact CD1-CD2 3.61Å; F466-H753 AromaticContact CD1-CG 3.9Å; F466-H753 HydrophobicContact CD2-CB 3.86Å; F466-H753 HydrophobicContact CE1-CB 4.04Å; F466-H753 HydrophobicContact CE2-CB 4.09Å; F466-H753 HydrophobicContact CG-CB 3.7Å; F466-H753 HydrophobicContact CZ-CB 4.17Å; H467-H753 PolarHBondContact O-CE1 3.23Å; Q470-H753 PolarHBondContact O-NE2 2.86Å; Q470-H753 VanDerWaalsContact O-NE2 3.1Å; H753-S755 PolarHBondContact ND1-N 3.35Å; H753-S755 PolarHBondContact O-N 3.42Å; H753-Q756 PolarHBondContact NE2-NE2 3.3Å; H753-F758 HydrophobicContact CB-CB 3.86Å; H753-F758 HydrophobicContact CB-CD2 4.44Å; H753-F758 AromaticContact CD2-CD2 3.58Å; H753-F758 PolarHBondContact N-O 2.89Å
754	P	91.4	Very high	95.2	Very high	64 Å²	64	25.9 Å²	25.9	42%	0.416	15%	0.148	S	C	.	.	S	Bend	trans	-61.7	-28.4	-171.2	-33.7	41.4	0	0	0	118.3	P708	P708-P754 HydrophobicContact CG-CB 4.29Å
755	S	88.6	Confident	95.4	Very high	82 Å²	82	21.6 Å²	21.6	57%	0.573	13%	0.125	S	C	*	.	S	Bend	trans	-130	-17.2	-174.3	55.6	0	0	0	0	115.1	H753	H753-S755 PolarHBondContact ND1-N 3.35Å; H753-S755 PolarHBondContact O-N 3.42Å
756	Q	90.4	Very high	95.4	Very high	63 Å²	63	19.8 Å²	19.8	29%	0.294	12%	0.119	S	C	.	.	S	Bend	trans	-114.1	152.5	-175	-58.6	-169.8	42.4	0	0	110.5	S469 H753 F758	S469-Q756 PolarHBondContact O-NE2 3.48Å; H753-Q756 PolarHBondContact NE2-NE2 3.3Å; Q756-F758 HydrophobicContact CB-CD2 3.76Å; Q756-F758 HydrophobicContact CB-CE2 4.02Å; Q756-F758 PolarHBondContact O-N 3.02Å
757	P	90.3	Very high	95.4	Very high	74 Å²	74	20.8 Å²	20.8	48%	0.481	13%	0.125	S	C	.	.	S	Bend	trans	-76	72.7	179	33.1	-36	0	0	0	110.9	W448	W448-P757 HydrophobicContact CH2-CB 4.21Å; W448-P757 HydrophobicContact CZ3-CB 4.49Å
758	F	93.2	Very high	95.3	Very high	9 Å²	9	20.8 Å²	20.8	4%	0.039	13%	0.125	C	C	.	.			trans	-127.2	138.3	168.2	-64.2	-74.4	0	0	0	110.9	F466 A471 L487 M491 H753 Q756 I770 F771 V772	F466-F758 HydrophobicContact CE1-CB 3.8Å; F466-F758 HydrophobicContact CE1-CG 4.4Å; F466-F758 HydrophobicContact CE2-CB 4.49Å; F466-F758 HydrophobicContact CZ-CB 3.62Å; A471-F758 HydrophobicContact CB-CE2 3.88Å; A471-F758 HydrophobicContact CB-CZ 4.36Å; L487-F758 HydrophobicContact CD1-CD1 4.46Å; L487-F758 HydrophobicContact CD1-CE1 4.47Å; M491-F758 HydrophobicContact CE-CE1 3.56Å; M491-F758 HydrophobicContact CE-CZ 3.45Å; M491-F758 VanDerWaalsContact CE-CZ 3.45Å; H753-F758 HydrophobicContact CB-CB 3.86Å; H753-F758 HydrophobicContact CB-CD2 4.44Å; H753-F758 AromaticContact CD2-CD2 3.58Å; H753-F758 PolarHBondContact N-O 2.89Å; Q756-F758 HydrophobicContact CB-CD2 3.76Å; Q756-F758 HydrophobicContact CB-CE2 4.02Å; Q756-F758 PolarHBondContact O-N 3.02Å; F758-I770 HydrophobicContact CB-CG2 4.47Å; F758-I770 HydrophobicContact CD1-CG2 3.52Å; F758-I770 HydrophobicContact CE1-CG2 4.18Å; F758-I770 HydrophobicContact CG-CG2 4.38Å; F758-F771 WeakPolarHBondContact CA-O 3.37Å; F758-V772 HydrophobicContact CD1-CG1 3.48Å; F758-V772 VanDerWaalsContact CD1-CG1 3.48Å; F758-V772 HydrophobicContact CE1-CG1 3.56Å
759	I	95.9	Very high	95.2	Very high	7 Å²	7	21.9 Å²	21.9	4%	0.036	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.1	161.9	-68.2	172.3	0	0	0	107.7	W448 I714 L724 A751 F752 I770 F771	W448-I759 HydrophobicContact CD2-CD1 3.46Å; W448-I759 VanDerWaalsContact CD2-CD1 3.46Å; W448-I759 HydrophobicContact CD2-CG1 4.14Å; W448-I759 VanDerWaalsContact CE2-CD1 3.49Å; W448-I759 HydrophobicContact CE3-CB 4.28Å; W448-I759 HydrophobicContact CE3-CD1 3.71Å; W448-I759 HydrophobicContact CE3-CG1 3.87Å; W448-I759 HydrophobicContact CG-CD1 3.94Å; W448-I759 HydrophobicContact CH2-CD1 3.99Å; W448-I759 HydrophobicContact CH2-CG1 3.79Å; W448-I759 HydrophobicContact CZ2-CD1 3.77Å; W448-I759 HydrophobicContact CZ2-CG1 4.07Å; W448-I759 HydrophobicContact CZ3-CB 4.27Å; W448-I759 HydrophobicContact CZ3-CD1 3.98Å; W448-I759 HydrophobicContact CZ3-CG1 3.7Å; I714-I759 HydrophobicContact CD1-CB 4.23Å; I714-I759 HydrophobicContact CD1-CD1 3.54Å; I714-I759 HydrophobicContact CD1-CG1 3.63Å; I714-I759 HydrophobicContact CD1-CG2 3.62Å; I714-I759 HydrophobicContact CG1-CD1 4.21Å; L724-I759 HydrophobicContact CD1-CD1 4.48Å; A751-I759 WeakPolarHBondContact O-CA 3.38Å; F752-I759 HydrophobicContact CD1-CD1 4.44Å; F752-I759 HydrophobicContact CD1-CG1 3.93Å; F752-I759 HydrophobicContact CE1-CD1 4Å; F752-I759 HydrophobicContact CE1-CG1 4Å; I759-I770 CarbonylContact O-C 3.56Å; I759-I770 WeakPolarHBondContact O-CA 3.42Å; I759-F771 HydrophobicContact CB-CB 4.31Å; I759-F771 HydrophobicContact CB-CD2 4.24Å; I759-F771 HydrophobicContact CG2-CD2 3.94Å; I759-F771 PolarHBondContact N-O 2.63Å; I759-F771 VanDerWaalsContact N-O 3.1Å; I759-F771 PolarHBondContact O-N 3.28Å
760	A	97.3	Very high	95.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	151.4	168.3	0	0	0	0	0	112.3	L464 F466 L473 V750 A751 K769 I770	L464-A760 HydrophobicContact CD1-CB 4.31Å; L464-A760 HydrophobicContact CD2-CB 3.58Å; F466-A760 HydrophobicContact CE2-CB 3.54Å; F466-A760 HydrophobicContact CZ-CB 3.63Å; L473-A760 HydrophobicContact CD1-CB 3.8Å; L473-A760 HydrophobicContact CD2-CB 4.48Å; V750-A760 VanDerWaalsContact CA-O 3.31Å; V750-A760 WeakPolarHBondContact CA-O 3.26Å; A751-A760 PolarHBondContact N-O 3.24Å; A751-A760 PolarHBondContact O-N 3.36Å; A760-K769 CarbonylContact C-O 3.6Å; A760-K769 WeakPolarHBondContact CA-O 3.49Å; A760-I770 HydrophobicContact CB-CD1 3.63Å
761	S	97.9	Very high	94.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.4	166.7	66.5	0	0	0	0	111.6	H739 D749 A768 K769 F771	H739-S761 PolarHBondContact CD2-OG 3.44Å; H739-S761 PolarHBondContact NE2-O 3.2Å; H739-S761 PolarHBondContact NE2-OG 3.24Å; D749-S761 CarbonylContact O-C 3.59Å; D749-S761 WeakPolarHBondContact O-CA 3.43Å; S761-A768 CarbonylContact O-C 3.56Å; S761-A768 VanDerWaalsContact O-CA 3.29Å; S761-A768 WeakPolarHBondContact O-CA 3.32Å; S761-K769 PolarHBondContact N-O 3.35Å; S761-K769 PolarHBondContact O-N 3.3Å; S761-F771 WeakPolarHBondContact OG-CE2 3.37Å
762	A	97.6	Very high	94.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.9	177.8	0	0	0	0	0	110.8	I461 L464 I747 H748 D749	I461-A762 HydrophobicContact CB-CB 3.87Å; I461-A762 HydrophobicContact CG2-CB 3.56Å; L464-A762 HydrophobicContact CD2-CB 3.75Å; L464-A762 HydrophobicContact CG-CB 3.88Å; I747-A762 WeakPolarHBondContact CA-O 3.29Å; I747-A762 WeakPolarHBondContact CG2-O 3.21Å; H748-A762 PolarHBondContact N-O 3.08Å; D749-A762 HydrophobicContact CB-CB 4.13Å; D749-A762 PolarHBondContact N-O 3.44Å; D749-A762 PolarHBondContact O-N 3.12Å
763	G	96.6	Very high	94.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	171.1	-174.9	0	0	0	0	0	116.9	I461 A746 D765 A766 L767	I461-G763 PolarHBondContact N-O 3.18Å; I461-G763 VanDerWaalsContact N-O 3.17Å; A746-G763 CarbonylContact O-C 3.5Å; A746-G763 WeakPolarHBondContact O-CA 3.36Å; G763-D765 PolarHBondContact O-N 3Å; G763-A766 PolarHBondContact O-N 2.87Å; G763-L767 PolarHBondContact N-O 3.25Å
764	A	97.1	Very high	94.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.008	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.2	-179.6	0	0	0	0	0	112.4	K742 E745 A746 H748 A766	K742-A764 HydrophobicContact CB-CB 3.98Å; K742-A764 WeakPolarHBondContact CD-O 3.41Å; E745-A764 HydrophobicContact CB-CB 4.01Å; A746-A764 PolarHBondContact O-N 3.16Å; H748-A764 WeakPolarHBondContact NE2-CA 3.36Å; H748-A764 WeakPolarHBondContact NE2-CB 3.36Å; H748-A764 PolarHBondContact NE2-N 3.03Å; A764-A766 PolarHBondContact O-N 3.17Å; A764-A766 VanDerWaalsContact O-N 3.11Å
765	D	95.9	Very high	94.6	Very high	32 Å²	32	21.9 Å²	21.9	17%	0.171	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	14.2	178.1	65.6	-3.6	0	0	0	114.7	H739 R740 G763 L767	H739-D765 IonicContact CE1-OD1 3.13Å; H739-D765 IonicContact CG-OD1 3.3Å; H739-D765 IonicContact ND1-OD1 3.87Å; H739-D765 PolarHBondContact ND1-OD1 2.96Å; H739-D765 IonicContact ND1-OD2 2.83Å; R740-D765 HydrophobicContact CB-CB 4.18Å; R740-D765 PolarHBondContact N-OD2 3.04Å; G763-D765 PolarHBondContact O-N 3Å; D765-L767 HydrophobicContact CB-CG 4.41Å; D765-L767 WeakPolarHBondContact O-CG 3.44Å; D765-L767 PolarHBondContact O-N 2.84Å; D765-L767 WeakPolarHBondContact OD1-CB 3.5Å; D765-L767 WeakPolarHBondContact OD1-CG 3.48Å
766	A	95.8	Very high	94.9	Very high	16 Å²	16	18.4 Å²	18.4	13%	0.132	10%	0.102	C	C	.	.	S	Bend	trans	61.5	20.1	-177	0	0	0	0	0	114.4	D459 G763 A764	D459-A766 WeakPolarHBondContact O-CA 3.32Å; D459-A766 WeakPolarHBondContact O-CB 3.25Å; G763-A766 PolarHBondContact O-N 2.87Å; A764-A766 PolarHBondContact O-N 3.17Å; A764-A766 VanDerWaalsContact O-N 3.11Å
767	L	95.6	Very high	95.2	Very high	21 Å²	21	15.6 Å²	15.6	11%	0.11	9%	0.09	C	C	.	.			trans	-109.5	145.5	-179.4	-48.5	-176.2	0	0	0	111.1	T453 R455 I461 H739 G763 D765	T453-L767 HydrophobicContact CG2-CB 4.24Å; T453-L767 HydrophobicContact CG2-CD1 3.89Å; T453-L767 HydrophobicContact CG2-CD2 4.4Å; T453-L767 HydrophobicContact CG2-CG 4.41Å; R455-L767 HydrophobicContact CG-CD2 4.08Å; I461-L767 VanDerWaalsContact CD1-C 3.47Å; H739-L767 PolarHBondContact CE1-O 2.89Å; G763-L767 PolarHBondContact N-O 3.25Å; D765-L767 HydrophobicContact CB-CG 4.41Å; D765-L767 WeakPolarHBondContact O-CG 3.44Å; D765-L767 PolarHBondContact O-N 2.84Å; D765-L767 WeakPolarHBondContact OD1-CB 3.5Å; D765-L767 WeakPolarHBondContact OD1-CG 3.48Å
768	A	96.7	Very high	95.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	143.1	156.6	0	0	0	0	0	109	T453 L454 I461 L473 T475 S761	T453-A768 CarbonylContact C-O 3.59Å; L454-A768 HydrophobicContact CB-CB 4.23Å; L454-A768 HydrophobicContact CD1-CB 4.07Å; L454-A768 HydrophobicContact CG-CB 4.48Å; L454-A768 PolarHBondContact N-O 2.9Å; I461-A768 HydrophobicContact CD1-CB 3.82Å; L473-A768 HydrophobicContact CD2-CB 4.4Å; T475-A768 HydrophobicContact CG2-CB 3.81Å; S761-A768 CarbonylContact O-C 3.56Å; S761-A768 VanDerWaalsContact O-CA 3.29Å; S761-A768 WeakPolarHBondContact O-CA 3.32Å
769	K	95.4	Very high	95.7	Very high	40 Å²	40	11.9 Å²	11.9	17%	0.174	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.5	-178.1	-69.2	-172.5	173.7	-174.4	0	110.7	F452 T453 A738 A760 S761 F771	F452-K769 WeakPolarHBondContact O-CA 3.42Å; T453-K769 HydrophobicContact CG2-CG 4.09Å; A738-K769 WeakPolarHBondContact O-CD 3.48Å; A738-K769 WeakPolarHBondContact O-CE 3.08Å; A738-K769 PolarHBondContact O-NZ 2.88Å; A760-K769 CarbonylContact C-O 3.6Å; A760-K769 WeakPolarHBondContact CA-O 3.49Å; S761-K769 PolarHBondContact N-O 3.35Å; S761-K769 PolarHBondContact O-N 3.3Å; K769-F771 HydrophobicContact CB-CE2 3.99Å; K769-F771 HydrophobicContact CB-CZ 3.9Å
770	I	95.3	Very high	95.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.5	178.9	-54.9	-60.8	0	0	0	109.4	R451 F452 L454 F466 L473 L487 F758 I759 A760	R451-I770 PolarHBondContact N-O 2.78Å; F452-I770 HydrophobicContact CB-CB 4.07Å; F452-I770 HydrophobicContact CB-CG1 4.24Å; F452-I770 HydrophobicContact CD2-CB 3.91Å; F452-I770 HydrophobicContact CD2-CG1 4.23Å; F452-I770 HydrophobicContact CD2-CG2 4Å; F452-I770 HydrophobicContact CG-CB 4.48Å; F452-I770 PolarHBondContact N-O 2.89Å; F452-I770 PolarHBondContact O-N 2.91Å; L454-I770 HydrophobicContact CD1-CD1 4.5Å; L454-I770 HydrophobicContact CD1-CG1 4.34Å; F466-I770 HydrophobicContact CE1-CD1 4.42Å; F466-I770 HydrophobicContact CZ-CD1 4.12Å; L473-I770 HydrophobicContact CD1-CD1 4.47Å; L473-I770 HydrophobicContact CD2-CD1 4Å; L487-I770 HydrophobicContact CD1-CD1 4.24Å; L487-I770 HydrophobicContact CD1-CG1 4.33Å; L487-I770 HydrophobicContact CD1-CG2 4.39Å; L487-I770 HydrophobicContact CD2-CG1 4.13Å; F758-I770 HydrophobicContact CB-CG2 4.47Å; F758-I770 HydrophobicContact CD1-CG2 3.52Å; F758-I770 HydrophobicContact CE1-CG2 4.18Å; F758-I770 HydrophobicContact CG-CG2 4.38Å; I759-I770 CarbonylContact O-C 3.56Å; I759-I770 WeakPolarHBondContact O-CA 3.42Å; A760-I770 HydrophobicContact CB-CD1 3.63Å
771	F	93.5	Very high	95.6	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.009	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.8	178.4	-44.4	-100.3	0	0	0	110.4	W448 N449 P450 I736 A738 F758 I759 S761 K769	W448-F771 HydrophobicContact CB-CB 4.32Å; W448-F771 HydrophobicContact CE3-CB 4.28Å; N449-F771 VanDerWaalsContact O-CA 3.24Å; N449-F771 WeakPolarHBondContact O-CA 3.13Å; P450-F771 HydrophobicContact CB-CD1 3.81Å; P450-F771 HydrophobicContact CB-CE1 3.79Å; I736-F771 HydrophobicContact CD1-CD1 3.99Å; I736-F771 HydrophobicContact CD1-CE1 4.26Å; I736-F771 HydrophobicContact CG2-CD1 4.4Å; I736-F771 HydrophobicContact CG2-CE1 3.8Å; A738-F771 HydrophobicContact CB-CZ 4.07Å; F758-F771 WeakPolarHBondContact CA-O 3.37Å; I759-F771 HydrophobicContact CB-CB 4.31Å; I759-F771 HydrophobicContact CB-CD2 4.24Å; I759-F771 HydrophobicContact CG2-CD2 3.94Å; I759-F771 PolarHBondContact N-O 2.63Å; I759-F771 VanDerWaalsContact N-O 3.1Å; I759-F771 PolarHBondContact O-N 3.28Å; S761-F771 WeakPolarHBondContact OG-CE2 3.37Å; K769-F771 HydrophobicContact CB-CE2 3.99Å; K769-F771 HydrophobicContact CB-CZ 3.9Å
772	V	89.6	Confident	95.4	Very high	47 Å²	47	14.5 Å²	14.5	29%	0.285	8%	0.081	S	C	.	.			trans	-138.2	0	175.4	-55.9	0	0	0	0	112.3	W448 N449 R451 F758	W448-V772 CarbonylContact C-O 3.36Å; W448-V772 WeakPolarHBondContact CA-O 3.42Å; N449-V772 PolarHBondContact N-O 2.74Å; N449-V772 PolarHBondContact O-N 3.35Å; N449-V772 VanDerWaalsContact O-N 3.11Å; R451-V772 HydrophobicContact CB-CG1 4.44Å; R451-V772 HydrophobicContact CB-CG2 4.17Å; R451-V772 HydrophobicContact CG-CG2 4.46Å; F758-V772 HydrophobicContact CD1-CG1 3.48Å; F758-V772 VanDerWaalsContact CD1-CG1 3.48Å; F758-V772 HydrophobicContact CE1-CG1 3.56Å

Retrieved 772 of 772 residues in 636.5 ms (Link to these results)

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