A0A096N7S5_PAPAN Loading...

Acetyltransferase component of pyruvate dehydrogenase complex

As part of the pyruvate dehydrogenase complex, catalyzes the transfers of an acetyl group to a lipoic acid moiety. The pyruvate dehydrogenase complex, catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links cytoplasmic glycolysis and the mitochondrial tricarboxylic acid (TCA) cycle. The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2).

AlphaFold DB (A0A2K5UNA0), UniProt , Accession A0A096N7S5, Species PAPAN (Papio anubis, Olive baboon), Gene DLAT, Length 647 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	33.4	Very low	238 Å²	238	172.9 Å²	172.9	100%	1.172	85%	0.85	S	S	*	*				0	-180	0	-78.7	87	170.8	0	0	110.2
2	W	32.1	Very low	33.1	Very low	237 Å²	237	170.7 Å²	170.7	90%	0.898	85%	0.853	S	S	*	*			trans	-63.8	151.9	-172.3	-63.2	-0.4	0	0	0	112.7
3	R	36	Very low	33	Very low	235 Å²	235	164.1 Å²	164.1	89%	0.887	84%	0.841	S	S	*	*				55	138.9	60.8	-63.8	-170.9	175.7	-163.6	0.6	111.3
4	V	36.2	Very low	34.2	Very low	130 Å²	130	160.4 Å²	160.4	79%	0.788	83%	0.834	S	S	*	*			cis	-146.8	173.2	40.5	173	0	0	0	0	112
5	C	36.7	Very low	33.9	Very low	118 Å²	118	167.5 Å²	167.5	80%	0.797	85%	0.845	S	S	*	*			trans	-56.1	-174.5	166.2	-50.1	0	0	0	0	113.9
6	A	33.4	Very low	33.7	Very low	102 Å²	102	163.4 Å²	163.4	84%	0.843	85%	0.846	S	S	*	*			cis	-159.6	-174	23.9	0	0	0	0	0	116.1
7	R	34.1	Very low	33.3	Very low	235 Å²	235	157.9 Å²	157.9	89%	0.887	84%	0.838	S	S	*	*			trans	-100	149.4	-169.3	-55	170.7	173.6	-173.4	-3.7	113.6
8	R	32.3	Very low	33.2	Very low	221 Å²	221	158.4 Å²	158.4	83%	0.834	84%	0.84	S	S	*	*				54.3	107.2	126.3	-168.8	-161.7	-151.6	-164.4	9.4	121
9	A	29.5	Very low	32.8	Very low	96 Å²	96	157.2 Å²	157.2	79%	0.793	83%	0.829	S	S	*	*			trans	-160.1	146.9	131.5	0	0	0	0	0	107.8
10	Q	32	Very low	32.9	Very low	150 Å²	150	153.5 Å²	153.5	70%	0.701	82%	0.822	S	S	*	*			cis	106.4	114.3	14.2	-130	-179.5	-21.7	0	0	115.9
11	N	29.1	Very low	32.8	Very low	140 Å²	140	155.3 Å²	155.3	75%	0.749	82%	0.817	S	S	*	*			trans	82.9	156.4	156.8	-66.2	-7.7	0	0	0	123
12	V	30.2	Very low	32.4	Very low	146 Å²	146	155 Å²	155	89%	0.885	80%	0.803	S	S	*	*			trans	92.6	120.2	161.1	-167	0	0	0	0	117.9
13	A	31.7	Very low	32.4	Very low	85 Å²	85	148.9 Å²	148.9	70%	0.702	79%	0.792	S	S	*	*			trans	-116	-162.3	166.7	0	0	0	0	0	107.4
14	P	50	Low	32.2	Very low	113 Å²	113	141.6 Å²	141.6	73%	0.734	78%	0.782	S	S	*	*			cis	-130.6	-173.9	-10.8	43.1	-27.3	0	0	0	113.3
15	W	28.8	Very low	31.9	Very low	266 Å²	266	142.4 Å²	142.4	100%	1.008	78%	0.781	S	S	*	*			trans	-145.8	153.1	154.6	-111.2	7.8	0	0	0	111.7
16	A	30.5	Very low	31.5	Very low	103 Å²	103	144.5 Å²	144.5	85%	0.851	78%	0.779	S	S	*	*			trans	-157.6	158.4	-167.9	0	0	0	0	0	113.6
17	G	27.9	Very low	31.3	Very low	70 Å²	70	147 Å²	147	72%	0.722	77%	0.774	S	S	*	*			trans	88.4	154.8	178.6	0	0	0	0	0	114.2
18	L	30.3	Very low	31.3	Very low	167 Å²	167	142.2 Å²	142.2	87%	0.874	77%	0.77	S	S	*	*			cis	-158.6	174.9	0.3	-128.9	70.3	0	0	0	107.4
19	E	27.1	Very low	32	Very low	135 Å²	135	137.3 Å²	137.3	63%	0.631	77%	0.767	S	S	*	*			cis	-93.8	-163.8	-8.9	-110.6	-159.2	122.5	0	0	109.9	R21	E19-R21 IonicContact OE1-NH1 2.77Å
20	A	33.5	Very low	32	Very low	82 Å²	82	135.4 Å²	135.4	68%	0.678	76%	0.757	S	S	*	*			cis	77.8	153.9	23.7	0	0	0	0	0	115.8
21	R	30.8	Very low	32	Very low	193 Å²	193	135 Å²	135	73%	0.728	76%	0.764	S	S	*	*			cis	-161	174.9	21.9	-163.9	165.8	172.8	171.6	-4.3	113.1	E19	E19-R21 IonicContact OE1-NH1 2.77Å
22	W	27.9	Very low	32.6	Very low	230 Å²	230	134.4 Å²	134.4	87%	0.871	77%	0.769	S	S	*	*			trans	94.7	110.5	175.5	-69.3	66.9	0	0	0	115.1
23	T	32.4	Very low	32.5	Very low	109 Å²	109	138.5 Å²	138.5	67%	0.669	77%	0.768	S	S	*	*			cis	88.3	134.8	44	62.6	0	0	0	0	114.2
24	A	32.4	Very low	32.4	Very low	82 Å²	82	141.5 Å²	141.5	68%	0.678	78%	0.778	S	S	*	*			cis	-170.2	-174.1	-7.5	0	0	0	0	0	110.9
25	L	30.3	Very low	31.3	Very low	148 Å²	148	140.8 Å²	140.8	78%	0.775	78%	0.775	S	S	*	*			trans	78.5	143.9	166.2	-53.3	166.5	0	0	0	115.9
26	Q	28.3	Very low	31.3	Very low	162 Å²	162	133.2 Å²	133.2	76%	0.757	76%	0.763	S	S	*	*			cis	-151.3	174.2	-2	-139.6	166.5	-14.9	0	0	113.6
27	E	28.8	Very low	31.2	Very low	154 Å²	154	138.2 Å²	138.2	72%	0.72	76%	0.759	S	S	*	*			trans	-125	-178.1	-165.5	-37	95.9	116	0	0	112.6
28	V	33.8	Very low	31.2	Very low	134 Å²	134	143.7 Å²	143.7	81%	0.812	76%	0.764	S	S	*	*			cis	-175.4	170.2	-0.1	101.7	0	0	0	0	107.6
29	P	47.7	Very low	31	Very low	119 Å²	119	139.1 Å²	139.1	77%	0.773	76%	0.757	S	S	*	*			cis	-135.4	-157.9	-30.4	44.7	-26.1	0	0	0	113.7
30	G	27.9	Very low	32	Very low	56 Å²	56	139.1 Å²	139.1	58%	0.577	77%	0.769	S	S	*	*			trans	106.8	111.1	143.9	0	0	0	0	0	118.2
31	T	32.2	Very low	31.9	Very low	140 Å²	140	139.5 Å²	139.5	86%	0.859	77%	0.772	S	S	*	*				77.2	146	70.6	57.2	0	0	0	0	116.4
32	P	43.2	Very low	32.6	Very low	129 Å²	129	136.9 Å²	136.9	84%	0.838	78%	0.78	S	S	*	*			cis	-134.2	-165	-6.5	40.2	-20.3	0	0	0	115.3
33	R	27.5	Very low	32.8	Very low	231 Å²	231	130.4 Å²	130.4	87%	0.872	78%	0.775	S	S	*	*			trans	-70.7	159.3	179.7	-58.8	169.4	172.1	170.1	-4.5	115.2
34	V	28.9	Very low	32.6	Very low	149 Å²	149	135.9 Å²	135.9	90%	0.903	78%	0.784	S	S	*	*			trans	-125.9	159.2	140.7	178.2	0	0	0	0	108.7
35	S	27.5	Very low	32.3	Very low	97 Å²	97	142.5 Å²	142.5	68%	0.678	79%	0.791	S	S	*	*			trans	-147.9	175.4	-175.9	70.5	0	0	0	0	112.8
36	S	28.2	Very low	32.4	Very low	107 Å²	107	143.1 Å²	143.1	75%	0.748	80%	0.795	S	S	*	*			trans	87	153.5	165.2	86.9	0	0	0	0	118.3
37	R	29.4	Very low	32.4	Very low	208 Å²	208	140.7 Å²	140.7	79%	0.785	80%	0.797	S	S	*	*			cis	-166.7	143.6	-26.6	-107.3	-168.6	-174.9	-162	1.9	110.3
38	F	27.6	Very low	32.6	Very low	185 Å²	185	137.5 Å²	137.5	81%	0.811	80%	0.796	S	S	*	*			trans	71.4	155.7	148.7	-76.8	-131.3	0	0	0	119.9
39	G	26.4	Very low	32.5	Very low	72 Å²	72	137 Å²	137	74%	0.742	79%	0.794	S	S	*	*			trans	-102.2	-138.3	178.2	0	0	0	0	0	112.9
40	P	46.7	Very low	31.7	Very low	135 Å²	135	137.3 Å²	137.3	88%	0.877	79%	0.794	S	S	*	*			cis	-134.4	-159.2	12.5	44.1	-25.5	0	0	0	114.5
41	A	33	Very low	31.8	Very low	89 Å²	89	137.5 Å²	137.5	74%	0.736	80%	0.796	S	S	*	*			trans	-101.8	165.9	176.5	0	0	0	0	0	114.1
42	P	45.6	Very low	31.6	Very low	138 Å²	138	142.1 Å²	142.1	90%	0.896	80%	0.799	S	S	*	*			trans	-141.4	-168	132.3	38.2	-22.8	0	0	0	114.2
43	A	30.2	Very low	30.8	Very low	94 Å²	94	139.6 Å²	139.6	78%	0.777	80%	0.796	S	S	*	*			trans	-142.4	-174.8	-163.5	0	0	0	0	0	115.9
44	R	29.5	Very low	30.8	Very low	224 Å²	224	132.6 Å²	132.6	85%	0.845	80%	0.796	S	S	*	*			trans	85.4	158.6	-179.8	-61.4	-176	160.4	-165.6	-5.8	115.1
45	R	26.6	Very low	30.9	Very low	221 Å²	221	132.1 Å²	132.1	83%	0.834	79%	0.793	S	S	*	*			cis	-155.4	169.8	18	-149.7	170.1	-173.4	170.6	-1.2	113.5
46	N	30.8	Very low	30.9	Very low	161 Å²	161	138.7 Å²	138.7	86%	0.861	80%	0.803	S	S	*	*			trans	-100.9	155.5	177.3	-79.8	1.8	0	0	0	115.2
47	S	29.9	Very low	31	Very low	112 Å²	112	137.7 Å²	137.7	78%	0.783	80%	0.801	S	S	*	*			trans	-164.4	136.4	149.9	50.1	0	0	0	0	108.5
48	A	32.2	Very low	30.9	Very low	86 Å²	86	136 Å²	136	71%	0.711	81%	0.807	S	S	*	*			cis	71.8	138.4	40.1	0	0	0	0	0	112.5
49	T	30.9	Very low	30.9	Very low	124 Å²	124	133.2 Å²	133.2	76%	0.761	81%	0.808	S	S	*	*			cis	-166.9	158.8	15.9	-13.3	0	0	0	0	112.1
50	T	32	Very low	30.8	Very low	126 Å²	126	133 Å²	133	77%	0.773	81%	0.806	S	S	*	*			trans	57.2	151.6	150	-31.1	0	0	0	0	120.2
51	G	28.5	Very low	29.8	Very low	60 Å²	60	139 Å²	139	62%	0.619	81%	0.812	S	S	*	*			cis	151.1	171	-8.8	0	0	0	0	0	112.7
52	Y	29.5	Very low	29.5	Very low	237 Å²	237	141 Å²	141	93%	0.929	82%	0.815	S	S	*	*			trans	65.3	154.6	-176.2	-68.8	-100	0	0	0	116.4
53	G	26.7	Very low	29.8	Very low	76 Å²	76	139.7 Å²	139.7	78%	0.784	81%	0.806	S	S	*	*			cis	139	129.6	-10.3	0	0	0	0	0	114.1
54	G	26.4	Very low	29.8	Very low	84 Å²	84	140.4 Å²	140.4	87%	0.866	81%	0.805	S	S	*	*			trans	150	130.5	168	0	0	0	0	0	117.4
55	V	30.7	Very low	29.8	Very low	138 Å²	138	135.8 Å²	135.8	84%	0.836	81%	0.808	S	S	*	*			trans	-102.4	140.3	-175.7	176.3	0	0	0	0	112.6
56	R	28.4	Very low	29.9	Very low	236 Å²	236	129.1 Å²	129.1	89%	0.891	81%	0.808	S	S	*	*			trans	164.8	130.8	140.5	-90.9	163.5	-177	-158	0.1	108.7
57	A	29.5	Very low	30	Very low	85 Å²	85	125.8 Å²	125.8	70%	0.702	80%	0.803	S	S	*	*			cis	76.3	106.1	44.3	0	0	0	0	0	114.6
58	L	28.5	Very low	30.3	Very low	174 Å²	174	127 Å²	127	91%	0.911	81%	0.805	S	S	*	*			trans	-174.2	169.2	133.7	-103.1	166.2	0	0	0	112.9
59	C	26.5	Very low	31.3	Very low	125 Å²	125	128.2 Å²	128.2	85%	0.845	81%	0.806	S	S	*	*			trans	-83.4	164.4	-171.4	-47.1	0	0	0	0	113.9
60	G	24.5	Very low	31.6	Very low	67 Å²	67	133.8 Å²	133.8	69%	0.691	81%	0.813	S	S	*	*			trans	154.7	124.8	139.8	0	0	0	0	0	119.4
61	W	25.3	Very low	31.5	Very low	263 Å²	263	134.6 Å²	134.6	100%	0.996	81%	0.812	S	S	*	*			trans	80.8	139.5	142.4	-70	13.8	0	0	0	121.4
62	T	28.1	Very low	31.7	Very low	130 Å²	130	142.2 Å²	142.2	80%	0.798	82%	0.823	S	S	*	*			trans	-105	-161.7	176	56.7	0	0	0	0	107.7
63	P	51.8	Low	31.8	Very low	110 Å²	110	137.9 Å²	137.9	71%	0.714	82%	0.815	S	S	*	*			cis	-137.5	-152.2	-4.4	41.4	-20.3	0	0	0	114
64	S	29	Very low	32	Very low	109 Å²	109	142.1 Å²	142.1	76%	0.762	82%	0.819	S	S	*	*			trans	95.2	140	166.9	80.8	0	0	0	0	116.8
65	S	31	Very low	32.2	Very low	128 Å²	128	144.6 Å²	144.6	90%	0.895	81%	0.811	S	S	*	*			cis	-159.3	150.1	-12.7	-110.7	0	0	0	0	111.6
66	G	27.4	Very low	32.1	Very low	81 Å²	81	145.6 Å²	145.6	84%	0.835	81%	0.807	S	S	*	*			trans	162.2	94.7	173	0	0	0	0	0	115
67	A	32.9	Very low	32.1	Very low	91 Å²	91	140.8 Å²	140.8	75%	0.752	80%	0.798	S	S	*	*			trans	-94.3	175	170.1	0	0	0	0	0	110.2
68	T	37.3	Very low	32.3	Very low	137 Å²	137	144.7 Å²	144.7	84%	0.84	81%	0.806	S	S	*	*			cis	-161.3	163.6	27	-22.3	0	0	0	0	109.8
69	P	52.4	Low	32	Very low	111 Å²	111	140.2 Å²	140.2	72%	0.721	80%	0.802	S	S	*	*			trans	-122.6	171.5	-165.7	42.6	-31.5	0	0	0	116.8
70	R	36.1	Very low	32.5	Very low	242 Å²	242	140 Å²	140	91%	0.913	80%	0.802	S	S	*	*			trans	-178.4	157	143.1	-99.5	155.9	178.9	178.3	-0.7	108.8
71	N	31.2	Very low	33.2	Very low	142 Å²	142	143 Å²	143	76%	0.759	81%	0.809	S	S	*	*			cis	-149.4	174.8	26.9	-152	0.6	0	0	0	114.8
72	R	32.2	Very low	33.4	Very low	221 Å²	221	134 Å²	134	83%	0.834	80%	0.799	S	S	*	*			trans	-49.8	173.2	168.8	-80.9	175.1	169.4	177.6	-5	116
73	L	31.7	Very low	33.5	Very low	146 Å²	146	139.3 Å²	139.3	76%	0.764	80%	0.804	S	S	*	*			cis	165.8	128.3	-22	172.5	118.1	0	0	0	107.6
74	L	32	Very low	32.6	Very low	165 Å²	165	144.2 Å²	144.2	86%	0.864	81%	0.808	S	S	*	*			trans	-167.8	178.1	145.6	-135.2	81.1	0	0	0	112.4
75	L	30.1	Very low	32.6	Very low	136 Å²	136	144.1 Å²	144.1	71%	0.712	81%	0.806	S	S	*	*			trans	-144.8	154	-169.5	-160.6	79.1	0	0	0	111.4
76	Q	28.8	Very low	32.9	Very low	159 Å²	159	147.2 Å²	147.2	74%	0.743	80%	0.8	S	S	*	*			trans	79.7	137.5	148.2	-98.8	171.8	0.6	0	0	123.2
77	L	28.6	Very low	33.9	Very low	134 Å²	134	148.4 Å²	148.4	70%	0.702	80%	0.795	S	S	*	*			trans	89.9	119.5	141.7	-69.7	163.8	0	0	0	123.2
78	L	32.1	Very low	35.6	Very low	167 Å²	167	147.7 Å²	147.7	87%	0.874	78%	0.778	S	S	*	*			trans	70.1	117.3	144	-60.8	167.9	0	0	0	120.1
79	G	23.6	Very low	37.2	Very low	80 Å²	80	142.4 Å²	142.4	83%	0.825	75%	0.746	S	S	*	*			trans	163	89.3	169.7	0	0	0	0	0	114.3
80	S	35.5	Very low	38.3	Very low	122 Å²	122	142.4 Å²	142.4	85%	0.853	75%	0.746	S	S	*	*			trans	-137	154	167.6	-95.2	0	0	0	0	108
81	P	40.1	Very low	40.6	Very low	129 Å²	129	133.9 Å²	133.9	84%	0.838	72%	0.717	S	S	*	*			cis	-134	-176.3	37.5	41.4	-25.7	0	0	0	115
82	G	28.8	Very low	43.1	Very low	75 Å²	75	131.3 Å²	131.3	77%	0.773	70%	0.7	S	S	*	*			trans	163.7	15.4	161.9	0	0	0	0	0	123.7
83	R	31.2	Very low	45.8	Very low	241 Å²	241	124.8 Å²	124.8	91%	0.909	68%	0.678	S	S	*	*			trans	-139.9	134.2	163.8	-84.8	-174.1	-176.6	-101.8	-4.6	111.7
84	R	33.3	Very low	48.5	Very low	212 Å²	212	118.8 Å²	118.8	80%	0.8	65%	0.647	S	S	*	*			trans	-85.4	121.5	172.4	-61.5	-175.2	-168.9	-132.1	4.3	108.9	Y86	R84-Y86 PolarHBondContact NH1-OH 3.15Å
85	C	28.8	Very low	51.3	Low	107 Å²	107	114 Å²	114	72%	0.723	63%	0.626	S	S	*	*			trans	-124.3	105.2	168.3	-64.4	0	0	0	0	107	S87	C85-S87 PolarHBondContact O-N 2.83Å
86	Y	37.1	Very low	54.1	Low	194 Å²	194	107.5 Å²	107.5	76%	0.761	59%	0.592	S	S	*	*			trans	-82.4	72.9	171.9	-63	-62.3	0	0	0	109.1	R84 L88	R84-Y86 PolarHBondContact NH1-OH 3.15Å; Y86-L88 PolarHBondContact O-N 2.9Å
87	S	49.1	Very low	56.8	Low	105 Å²	105	102 Å²	102	73%	0.734	57%	0.57	S	S	*	*			trans	-74	114.5	163	51.7	0	0	0	0	108	C85	C85-S87 PolarHBondContact O-N 2.83Å
88	L	67.2	Low	59.6	Low	76 Å²	76	99.1 Å²	99.1	40%	0.398	56%	0.561	S	S	.	*			trans	-61	151.6	172.3	-72.4	163.9	0	0	0	110.5	Y86 A175 F176 Y179	Y86-L88 PolarHBondContact O-N 2.9Å; L88-A175 HydrophobicContact CD2-CB 4.37Å; L88-F176 HydrophobicContact CB-CE1 4.05Å; L88-F176 HydrophobicContact CB-CZ 3.92Å; L88-F176 HydrophobicContact CD1-CE1 4.03Å; L88-F176 HydrophobicContact CD2-CD1 4.47Å; L88-F176 HydrophobicContact CD2-CE1 4.08Å; L88-F176 HydrophobicContact CD2-CZ 4.29Å; L88-F176 HydrophobicContact CG-CE1 4.28Å; L88-Y179 HydrophobicContact CD1-CD2 3.55Å; L88-Y179 HydrophobicContact CD1-CE2 3.48Å; L88-Y179 VanDerWaalsContact CD1-CE2 3.48Å
89	P	71.6	Confident	62.1	Low	26 Å²	26	93.4 Å²	93.4	17%	0.169	53%	0.531	C	S	.	.			trans	-55.8	163.3	174.8	-26	34.7	0	0	0	113.9	H91 D172 A175 F176	P89-H91 PolarHBondContact O-N 3.32Å; P89-H91 VanDerWaalsContact O-N 3.09Å; P89-H91 PolarHBondContact O-ND1 3.48Å; P89-D172 HydrophobicContact CB-CB 3.69Å; P89-D172 VanDerWaalsContact CB-CG 3.45Å; P89-D172 VanDerWaalsContact CB-OD1 3.27Å; P89-D172 WeakPolarHBondContact CB-OD1 3.37Å; P89-D172 HydrophobicContact CG-CB 3.94Å; P89-D172 WeakPolarHBondContact CG-OD1 3.45Å; P89-A175 HydrophobicContact CG-CB 3.77Å; P89-F176 HydrophobicContact CB-CE2 4.13Å; P89-F176 HydrophobicContact CB-CZ 4.44Å; P89-F176 HydrophobicContact CG-CE2 4.07Å
90	P	76.4	Confident	64.7	Low	112 Å²	112	90.1 Å²	90.1	73%	0.727	50%	0.495	S	S	*	.	S	Bend	trans	-59.6	115.2	171.5	26.2	-34.3	0	0	0	110.3
91	H	82.6	Confident	66.6	Low	62 Å²	62	91 Å²	91	29%	0.287	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.8	-176.1	63.4	-78.8	0	0	0	110.3	P89 I165 T166 V167 F176	P89-H91 PolarHBondContact O-N 3.32Å; P89-H91 VanDerWaalsContact O-N 3.09Å; P89-H91 PolarHBondContact O-ND1 3.48Å; H91-I165 HydrophobicContact CB-CG2 3.83Å; H91-T166 WeakPolarHBondContact CA-O 3.32Å; H91-V167 HydrophobicContact CB-CG1 3.89Å; H91-F176 HydrophobicContact CB-CE1 3.85Å; H91-F176 HydrophobicContact CB-CE2 4.06Å; H91-F176 HydrophobicContact CB-CZ 3.44Å; H91-F176 VanDerWaalsContact CB-CZ 3.44Å; H91-F176 AromaticContact CD2-CE1 3.83Å; H91-F176 AromaticContact CE1-CE1 3.98Å; H91-F176 AromaticContact CG-CE1 3.49Å; H91-F176 VanDerWaalsContact CG-CE1 3.49Å; H91-F176 AromaticContact CG-CZ 3.45Å; H91-F176 VanDerWaalsContact CG-CZ 3.45Å; H91-F176 AromaticContact ND1-CE1 3.6Å; H91-F176 AromaticContact ND1-CZ 3.43Å; H91-F176 WeakPolarHBondContact ND1-CZ 3.44Å
92	Q	84.2	Confident	68.2	Low	89 Å²	89	88.7 Å²	88.7	42%	0.416	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.5	-179.3	-173	173.1	13.2	0	0	108.1	E141 I165 T166	Q92-E141 PolarHBondContact NE2-OE2 2.94Å; Q92-E141 PolarHBondContact OE1-OE2 2.82Å; Q92-I165 WeakPolarHBondContact O-CA 3.37Å; Q92-T166 PolarHBondContact N-O 3.41Å; Q92-T166 PolarHBondContact O-N 3.44Å
93	K	88.8	Confident	70.7	Confident	83 Å²	83	85.7 Å²	85.7	36%	0.361	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.1	176.4	-70.7	176.9	168	-163.3	0	107	P95 I162 I165 Y179	K93-P95 VanDerWaalsContact O-CD 3.25Å; K93-P95 WeakPolarHBondContact O-CD 3.37Å; K93-I162 HydrophobicContact CB-CD1 4.3Å; K93-I162 HydrophobicContact CB-CG1 4.34Å; K93-I162 HydrophobicContact CB-CG2 3.9Å; K93-I162 HydrophobicContact CD-CD1 3.99Å; K93-I162 HydrophobicContact CG-CG2 4.4Å; K93-I165 HydrophobicContact CG-CG1 4.46Å; K93-Y179 WeakPolarHBondContact CE-OH 3.35Å; K93-Y179 PolarHBondContact NZ-OH 3.02Å
94	V	88.8	Confident	73.1	Confident	20 Å²	20	82.3 Å²	82.3	12%	0.121	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	110.2	-175.9	-177.1	0	0	0	0	108.7	F137 I162 I163 C164 T166	V94-F137 HydrophobicContact CG1-CE1 3.84Å; V94-F137 HydrophobicContact CG1-CZ 3.74Å; V94-I162 WeakPolarHBondContact O-CA 3.49Å; V94-I163 HydrophobicContact CG1-CG1 4.41Å; V94-I163 WeakPolarHBondContact O-CG1 3.47Å; V94-I163 PolarHBondContact O-N 2.81Å; V94-C164 PolarHBondContact N-O 2.99Å; V94-T166 HydrophobicContact CG2-CG2 4.01Å
95	P	90.5	Very high	75.6	Confident	64 Å²	64	73.8 Å²	73.8	42%	0.416	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	154.9	172.4	33.6	-34.4	0	0	0	111	K93 P97 A161	K93-P95 VanDerWaalsContact O-CD 3.25Å; K93-P95 WeakPolarHBondContact O-CD 3.37Å; P95-P97 VanDerWaalsContact O-CD 3.28Å; P95-P97 WeakPolarHBondContact O-CD 3.26Å; P95-A161 CarbonylContact C-O 3.57Å; P95-A161 VanDerWaalsContact CA-O 3.28Å; P95-A161 WeakPolarHBondContact CA-O 3.3Å
96	L	90	Very high	78.3	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.005	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-64.1	117	164.9	-173.8	69.9	0	0	0	109.3	M103 V128 V157 G160 A161 I163	L96-M103 HydrophobicContact CD2-CE 3.93Å; L96-M103 HydrophobicContact CG-CE 4.37Å; L96-V128 HydrophobicContact CD1-CG1 4.2Å; L96-V128 HydrophobicContact CD1-CG2 4.1Å; L96-V157 HydrophobicContact CD2-CB 4.08Å; L96-V157 HydrophobicContact CD2-CG1 3.93Å; L96-V157 VanDerWaalsContact CD2-O 3.29Å; L96-V157 WeakPolarHBondContact CD2-O 3.16Å; L96-G160 PolarHBondContact O-N 2.96Å; L96-A161 PolarHBondContact N-O 2.92Å; L96-I163 HydrophobicContact CB-CG2 3.95Å; L96-I163 HydrophobicContact CD1-CD1 4.26Å; L96-I163 HydrophobicContact CD1-CG2 4.43Å
97	P	84.9	Confident	80.8	Confident	42 Å²	42	60.9 Å²	60.9	27%	0.273	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-77.2	167.3	177.3	33.5	-36	0	0	0	111.5	P95 L99 F137	P95-P97 VanDerWaalsContact O-CD 3.28Å; P95-P97 WeakPolarHBondContact O-CD 3.26Å; P97-L99 HydrophobicContact CG-CD2 3.93Å; P97-L99 HydrophobicContact CG-CG 4.16Å; P97-L99 PolarHBondContact O-N 3.4Å; P97-F137 HydrophobicContact CG-CD2 3.79Å; P97-F137 HydrophobicContact CG-CE2 3.72Å; P97-F137 HydrophobicContact CG-CZ 4.44Å
98	S	86.9	Confident	82.8	Confident	74 Å²	74	55.9 Å²	55.9	52%	0.517	32%	0.322	S	S	.	.			trans	-77.3	108.2	167.9	-172.3	0	0	0	0	110	S100	S98-S100 PolarHBondContact OG-O 3.47Å; S98-S100 VanDerWaalsContact OG-O 3.09Å
99	L	84.5	Confident	83.7	Confident	48 Å²	48	53.8 Å²	53.8	25%	0.251	32%	0.315	S	S	.	.			trans	-95.2	-5.6	179.3	-63.2	173.7	0	0	0	113.2	P97 M103 V128 T130 V135 F137	P97-L99 HydrophobicContact CG-CD2 3.93Å; P97-L99 HydrophobicContact CG-CG 4.16Å; P97-L99 PolarHBondContact O-N 3.4Å; L99-M103 HydrophobicContact CB-SD 4.02Å; L99-M103 PolarHBondContact N-SD 2.87Å; L99-M103 VanDerWaalsContact N-SD 3.39Å; L99-V128 HydrophobicContact CD1-CB 3.65Å; L99-V128 HydrophobicContact CD1-CG1 3.96Å; L99-V128 HydrophobicContact CD1-CG2 3.91Å; L99-T130 HydrophobicContact CB-CG2 4.11Å; L99-V135 HydrophobicContact CB-CB 4.43Å; L99-V135 HydrophobicContact CB-CG1 4.29Å; L99-V135 HydrophobicContact CD1-CB 4.43Å; L99-V135 HydrophobicContact CD1-CG1 4.44Å; L99-V135 HydrophobicContact CD2-CG1 4.34Å; L99-F137 HydrophobicContact CD1-CB 4.47Å
100	S	77.6	Confident	84.5	Confident	10 Å²	10	57.6 Å²	57.6	7%	0.07	33%	0.326	C	S	.	.	S	Bend	trans	-145.3	139.4	177.6	136.5	0	0	0	0	109.6	S98 T102 M103 D131	S98-S100 PolarHBondContact OG-O 3.47Å; S98-S100 VanDerWaalsContact OG-O 3.09Å; S100-T102 PolarHBondContact O-N 2.85Å; S100-T102 VanDerWaalsContact O-N 3.08Å; S100-T102 PolarHBondContact OG-N 2.86Å; S100-T102 PolarHBondContact OG-OG1 2.68Å; S100-M103 VanDerWaalsContact O-CB 3.23Å; S100-M103 WeakPolarHBondContact O-CB 3.37Å; S100-M103 PolarHBondContact O-N 3.44Å; S100-M103 VanDerWaalsContact O-N 3.08Å; S100-M103 PolarHBondContact OG-N 3.29Å; S100-D131 PolarHBondContact OG-OD1 2.66Å
101	P	75.8	Confident	85.2	Confident	140 Å²	140	53.5 Å²	53.5	91%	0.909	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-14.9	178.2	-24	34.6	0	0	0	115.2
102	T	74.5	Confident	85.5	Confident	81 Å²	81	54.8 Å²	54.8	50%	0.497	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-2.4	177.6	47.8	0	0	0	0	113.3	S100 D131	S100-T102 PolarHBondContact O-N 2.85Å; S100-T102 VanDerWaalsContact O-N 3.08Å; S100-T102 PolarHBondContact OG-N 2.86Å; S100-T102 PolarHBondContact OG-OG1 2.68Å; T102-D131 WeakPolarHBondContact CB-OD2 3.22Å; T102-D131 PolarHBondContact OG1-OD1 3.28Å; T102-D131 PolarHBondContact OG1-OD2 3.23Å
103	M	81.3	Confident	85.6	Confident	13 Å²	13	52.1 Å²	52.1	6%	0.064	29%	0.289	C	S	.	.			trans	-66	137.8	-179.5	-166.9	-175.7	-178.5	0	0	111.3	L96 L99 S100 A105 V128 T130 I159	L96-M103 HydrophobicContact CD2-CE 3.93Å; L96-M103 HydrophobicContact CG-CE 4.37Å; L99-M103 HydrophobicContact CB-SD 4.02Å; L99-M103 PolarHBondContact N-SD 2.87Å; L99-M103 VanDerWaalsContact N-SD 3.39Å; S100-M103 VanDerWaalsContact O-CB 3.23Å; S100-M103 WeakPolarHBondContact O-CB 3.37Å; S100-M103 PolarHBondContact O-N 3.44Å; S100-M103 VanDerWaalsContact O-N 3.08Å; S100-M103 PolarHBondContact OG-N 3.29Å; M103-A105 WeakPolarHBondContact CG-O 3.27Å; M103-V128 HydrophobicContact CE-CG1 4.12Å; M103-T130 HydrophobicContact CE-CG2 4.17Å; M103-T130 HydrophobicContact SD-CG2 3.99Å; M103-I159 HydrophobicContact CB-CD1 3.95Å; M103-I159 HydrophobicContact CG-CD1 3.88Å; M103-I159 HydrophobicContact CG-CG1 4.27Å; M103-I159 WeakPolarHBondContact O-CD1 3.19Å; M103-I159 HydrophobicContact SD-CD1 4.23Å; M103-I159 HydrophobicContact SD-CG1 4.3Å
104	Q	81.1	Confident	85.5	Confident	169 Å²	169	55.4 Å²	55.4	79%	0.79	30%	0.303	S	S	*	.	S	Bend	trans	-123.6	-34.7	168.9	-62.2	-175.7	10	0	0	110.8	I159	Q104-I159 PolarHBondContact O-N 2.84Å; Q104-I159 VanDerWaalsContact O-N 3.13Å
105	A	85.7	Confident	85.5	Confident	33 Å²	33	58.6 Å²	58.6	27%	0.273	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	167.3	168.7	0	0	0	0	0	110.2	M103 V157	M103-A105 WeakPolarHBondContact CG-O 3.27Å; A105-V157 CarbonylContact C-O 3.48Å; A105-V157 WeakPolarHBondContact CA-O 3.32Å; A105-V157 WeakPolarHBondContact CB-O 3.43Å
106	G	86.1	Confident	85	Confident	5 Å²	5	57.2 Å²	57.2	5%	0.052	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	166.6	174.9	0	0	0	0	0	112.7	D156 V157	G106-D156 PolarHBondContact O-N 3.23Å; G106-V157 PolarHBondContact N-O 3.5Å; G106-V157 WeakPolarHBondContact O-CB 3.37Å; G106-V157 PolarHBondContact O-N 2.81Å
107	T	89.5	Confident	84.8	Confident	25 Å²	25	60.2 Å²	60.2	15%	0.153	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.3	173	-61.9	0	0	0	0	109	A109 V128 E129 T154 R155	T107-A109 PolarHBondContact O-N 2.74Å; T107-V128 CarbonylContact O-C 3.48Å; T107-V128 WeakPolarHBondContact O-CA 3.18Å; T107-E129 PolarHBondContact N-O 2.89Å; T107-E129 PolarHBondContact O-N 2.9Å; T107-T154 WeakPolarHBondContact CA-O 3.49Å; T107-R155 HydrophobicContact CG2-CG 3.85Å; T107-R155 WeakPolarHBondContact OG1-CA 3.26Å
108	I	90.6	Very high	84.8	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	106.3	173.5	-54.3	-173.9	0	0	0	107.9	W111 A126 V150 G153 T154 I163	I108-W111 HydrophobicContact CD1-CZ2 3.8Å; I108-A126 HydrophobicContact CG2-CB 4.47Å; I108-V150 HydrophobicContact CD1-CB 3.83Å; I108-V150 HydrophobicContact CD1-CG1 3.59Å; I108-V150 HydrophobicContact CG1-CG1 4.36Å; I108-G153 WeakPolarHBondContact O-CA 3.25Å; I108-G153 PolarHBondContact O-N 3.24Å; I108-T154 PolarHBondContact N-O 3.07Å; I108-T154 VanDerWaalsContact N-O 3.11Å; I108-I163 HydrophobicContact CD1-CB 4.17Å; I108-I163 HydrophobicContact CD1-CG2 3.85Å
109	A	85.4	Confident	84.8	Confident	31 Å²	31	58.4 Å²	58.4	26%	0.256	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-37.6	-174.6	0	0	0	0	0	112.6	T107 E127 E129 T134	T107-A109 PolarHBondContact O-N 2.74Å; A109-E127 HydrophobicContact CB-CB 4.17Å; A109-E127 WeakPolarHBondContact CB-O 3.37Å; A109-E127 PolarHBondContact N-O 3.43Å; A109-E129 HydrophobicContact CB-CB 4.36Å; A109-T134 HydrophobicContact CB-CG2 4.37Å
110	R	90	Very high	84.8	Confident	106 Å²	106	58.9 Å²	58.9	40%	0.4	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	149.9	173.4	-165	177.3	-59.8	113.2	17.8	112.1	E112 A126 E127	R110-E112 VanDerWaalsContact CD-OE1 3.26Å; R110-E112 WeakPolarHBondContact CD-OE1 3.39Å; R110-E112 IonicContact NH1-OE1 3.38Å; R110-E112 PolarHBondContact NH1-OE1 2.83Å; R110-A126 CarbonylContact O-C 3.57Å; R110-A126 WeakPolarHBondContact O-CA 3.48Å; R110-A126 WeakPolarHBondContact O-CB 3.48Å; R110-E127 HydrophobicContact CB-CB 4.3Å; R110-E127 HydrophobicContact CB-CG 4.47Å; R110-E127 IonicContact CZ-OE2 3.78Å; R110-E127 VanDerWaalsContact CZ-OE2 3.31Å; R110-E127 PolarHBondContact N-O 3.34Å; R110-E127 IonicContact NH1-OE1 2.71Å; R110-E127 IonicContact NH1-OE2 2.63Å; R110-E127 PolarHBondContact NH1-OE2 2.93Å; R110-E127 IonicContact NH2-OE2 3.51Å; R110-E127 PolarHBondContact O-N 3.08Å
111	W	90.8	Very high	85.2	Confident	26 Å²	26	65.7 Å²	65.7	10%	0.098	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.6	161.2	-71.8	98.4	0	0	0	111	I108 I125 A126 M145 I148 V150 E152 I163 C164	I108-W111 HydrophobicContact CD1-CZ2 3.8Å; W111-I125 HydrophobicContact CE3-CG2 4.07Å; W111-I125 HydrophobicContact CZ3-CG2 3.79Å; W111-A126 HydrophobicContact CD2-CB 4.18Å; W111-A126 HydrophobicContact CE3-CB 3.81Å; W111-A126 HydrophobicContact CZ3-CB 4.12Å; W111-M145 HydrophobicContact CE3-CE 4.11Å; W111-M145 HydrophobicContact CZ3-CE 3.81Å; W111-I148 HydrophobicContact CB-CD1 4.42Å; W111-I148 HydrophobicContact CD2-CD1 3.95Å; W111-I148 HydrophobicContact CD2-CG1 4.36Å; W111-I148 HydrophobicContact CD2-CG2 4.27Å; W111-I148 HydrophobicContact CE3-CD1 4.21Å; W111-I148 HydrophobicContact CE3-CG1 4.44Å; W111-I148 HydrophobicContact CG-CD1 4.06Å; W111-I148 HydrophobicContact CZ2-CG2 3.72Å; W111-V150 PolarHBondContact NE1-O 2.68Å; W111-E152 PolarHBondContact N-OE2 2.91Å; W111-I163 HydrophobicContact CH2-CB 4.02Å; W111-I163 HydrophobicContact CH2-CD1 4.05Å; W111-I163 HydrophobicContact CH2-CG1 4.09Å; W111-I163 HydrophobicContact CZ2-CB 4.16Å; W111-C164 HydrophobicContact CH2-CB 3.78Å; W111-C164 HydrophobicContact CZ3-CB 4.24Å
112	E	87.6	Confident	85.4	Confident	89 Å²	89	61.3 Å²	61.3	42%	0.416	32%	0.323	S	S	.	.	S	Bend	trans	-90.6	-20.7	176.7	-70.7	-66.5	150.7	0	0	112.3	R110 L124 I125	R110-E112 VanDerWaalsContact CD-OE1 3.26Å; R110-E112 WeakPolarHBondContact CD-OE1 3.39Å; R110-E112 IonicContact NH1-OE1 3.38Å; R110-E112 PolarHBondContact NH1-OE1 2.83Å; E112-L124 HydrophobicContact CB-CG 4.48Å; E112-L124 HydrophobicContact CG-CD2 4.01Å; E112-L124 HydrophobicContact CG-CG 4.22Å; E112-I125 PolarHBondContact N-O 2.78Å
113	K	87.7	Confident	85.9	Confident	34 Å²	34	59.5 Å²	59.5	15%	0.148	31%	0.31	C	S	.	.	S	Bend	trans	-111.5	138.8	174.6	-63.4	-71.7	-168.4	165.8	0	111.1	D117 K118 I119 D123 L124 I125 M145	K113-D117 HydrophobicContact CD-CB 4.4Å; K113-K118 PolarHBondContact NZ-O 3.44Å; K113-I119 HydrophobicContact CB-CD1 4.27Å; K113-I119 HydrophobicContact CB-CG1 4.4Å; K113-I119 HydrophobicContact CD-CG1 4.12Å; K113-I119 HydrophobicContact CG-CD1 4.22Å; K113-I119 HydrophobicContact CG-CG1 4.04Å; K113-D123 WeakPolarHBondContact CE-OD2 3.42Å; K113-D123 IonicContact NZ-OD2 2.67Å; K113-D123 PolarHBondContact NZ-OD2 2.91Å; K113-L124 WeakPolarHBondContact CG-O 3.28Å; K113-I125 HydrophobicContact CB-CG2 4.22Å; K113-I125 HydrophobicContact CG-CG2 4.38Å; K113-I125 PolarHBondContact N-O 3.34Å; K113-M145 HydrophobicContact CB-CE 4.32Å
114	K	87.3	Confident	86.2	Confident	151 Å²	151	62.2 Å²	62.2	66%	0.657	32%	0.324	S	S	*	.			trans	-105.5	164.2	-178.2	-63.2	170.8	-176.2	169	0	112	G116 D117 M145	K114-G116 PolarHBondContact O-N 2.79Å; K114-D117 WeakPolarHBondContact CB-OD2 3.06Å; K114-D117 PolarHBondContact N-OD2 3.26Å; K114-D117 WeakPolarHBondContact O-CB 3.36Å; K114-D117 PolarHBondContact O-N 2.74Å; K114-M145 VanDerWaalsContact O-CB 3.28Å; K114-M145 WeakPolarHBondContact O-CB 3.35Å; K114-M145 WeakPolarHBondContact O-CG 3.44Å
115	E	87.6	Confident	86.6	Confident	88 Å²	88	54.3 Å²	54.3	41%	0.411	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	121.5	173.2	-55.9	-170.5	159.1	0	0	110.6	K147 I148	E115-K147 WeakPolarHBondContact OE1-CD 3.26Å; E115-K147 WeakPolarHBondContact OE1-CE 3.13Å; E115-K147 IonicContact OE1-NZ 2.89Å; E115-K147 PolarHBondContact OE1-NZ 3.46Å; E115-K147 IonicContact OE2-NZ 2.82Å; E115-K147 PolarHBondContact OE2-NZ 2.94Å; E115-I148 HydrophobicContact CG-CB 4.42Å; E115-I148 HydrophobicContact CG-CD1 4.26Å; E115-I148 HydrophobicContact CG-CG1 4.13Å; E115-I148 PolarHBondContact OE1-N 2.88Å
116	G	80.6	Confident	86.8	Confident	35 Å²	35	52.8 Å²	52.8	36%	0.361	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.4	-19.6	-173.4	0	0	0	0	0	115.2	K114 M145	K114-G116 PolarHBondContact O-N 2.79Å; G116-M145 PolarHBondContact N-O 3.47Å
117	D	85.6	Confident	86.9	Confident	64 Å²	64	55.2 Å²	55.2	34%	0.342	29%	0.285	S	S	.	.			trans	-72.4	146.3	-174.8	-71.5	-22.6	0	0	0	112.8	K113 K114 Y144 M145	K113-D117 HydrophobicContact CD-CB 4.4Å; K114-D117 WeakPolarHBondContact CB-OD2 3.06Å; K114-D117 PolarHBondContact N-OD2 3.26Å; K114-D117 WeakPolarHBondContact O-CB 3.36Å; K114-D117 PolarHBondContact O-N 2.74Å; D117-Y144 WeakPolarHBondContact O-CA 3.47Å; D117-M145 PolarHBondContact O-N 2.95Å
118	K	85.3	Confident	86.9	Confident	77 Å²	77	54 Å²	54	34%	0.335	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	137.5	164.6	-163.2	-167.9	179.1	-135.8	0	110	K113 N120 E142 Y144	K113-K118 PolarHBondContact NZ-O 3.44Å; K118-N120 PolarHBondContact NZ-OD1 3.2Å; K118-E142 WeakPolarHBondContact CE-OE2 3.49Å; K118-E142 IonicContact NZ-OE1 2.74Å; K118-E142 IonicContact NZ-OE2 3.84Å; K118-E142 PolarHBondContact NZ-OE2 3.41Å; K118-Y144 HydrophobicContact CB-CD1 4Å; K118-Y144 HydrophobicContact CB-CE1 3.78Å; K118-Y144 HydrophobicContact CD-CE1 4.43Å; K118-Y144 HydrophobicContact CG-CD1 4.19Å; K118-Y144 HydrophobicContact CG-CE1 3.8Å
119	I	86.9	Confident	86.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128	174.1	-50.4	-179	0	0	0	107.2	K113 D123 I125 E142 C143 M145	K113-I119 HydrophobicContact CB-CD1 4.27Å; K113-I119 HydrophobicContact CB-CG1 4.4Å; K113-I119 HydrophobicContact CD-CG1 4.12Å; K113-I119 HydrophobicContact CG-CD1 4.22Å; K113-I119 HydrophobicContact CG-CG1 4.04Å; I119-D123 HydrophobicContact CG2-CB 3.82Å; I119-I125 HydrophobicContact CD1-CD1 4.42Å; I119-I125 HydrophobicContact CD1-CG1 4.43Å; I119-I125 HydrophobicContact CD1-CG2 4.18Å; I119-I125 HydrophobicContact CG2-CD1 4.49Å; I119-I125 HydrophobicContact CG2-CG1 4.22Å; I119-E142 WeakPolarHBondContact O-CA 3.49Å; I119-C143 PolarHBondContact N-O 3.44Å; I119-C143 PolarHBondContact O-N 3.02Å; I119-M145 HydrophobicContact CD1-CB 4.2Å; I119-M145 HydrophobicContact CD1-CE 4.06Å
120	N	84.5	Confident	86.8	Confident	59 Å²	59	58.2 Å²	58.2	32%	0.316	29%	0.293	S	S	.	.			trans	-98.8	165.5	174.6	-46.1	-78.4	0	0	0	110.2	K118 G122 D123	K118-N120 PolarHBondContact NZ-OD1 3.2Å; N120-G122 PolarHBondContact O-N 3.46Å; N120-D123 PolarHBondContact N-OD2 3.01Å; N120-D123 PolarHBondContact ND2-OD2 2.75Å; N120-D123 WeakPolarHBondContact O-CB 3.43Å; N120-D123 PolarHBondContact O-N 3.44Å
121	E	84.4	Confident	86.3	Confident	152 Å²	152	56.5 Å²	56.5	71%	0.71	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	127.5	169.8	-172.4	179.6	165.9	0	0	109.9
122	G	80	Confident	85.6	Confident	48 Å²	48	62.4 Å²	62.4	50%	0.495	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	0.1	-173.8	0	0	0	0	0	116.1	N120 S139	N120-G122 PolarHBondContact O-N 3.46Å; G122-S139 PolarHBondContact N-O 2.69Å
123	D	86.7	Confident	85.3	Confident	43 Å²	43	60.6 Å²	60.6	23%	0.23	32%	0.318	C	S	.	.			trans	-72.1	130.9	172.9	-84.5	-11.9	0	0	0	111	K113 I119 N120 I125 E138 S139	K113-D123 WeakPolarHBondContact CE-OD2 3.42Å; K113-D123 IonicContact NZ-OD2 2.67Å; K113-D123 PolarHBondContact NZ-OD2 2.91Å; I119-D123 HydrophobicContact CG2-CB 3.82Å; N120-D123 PolarHBondContact N-OD2 3.01Å; N120-D123 PolarHBondContact ND2-OD2 2.75Å; N120-D123 WeakPolarHBondContact O-CB 3.43Å; N120-D123 PolarHBondContact O-N 3.44Å; D123-I125 PolarHBondContact O-N 3.15Å; D123-E138 CarbonylContact O-C 3.53Å; D123-E138 WeakPolarHBondContact O-CA 3.4Å; D123-S139 PolarHBondContact O-N 3.5Å
124	L	86.9	Confident	85.2	Confident	70 Å²	70	62.8 Å²	62.8	37%	0.366	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	127.5	168.5	-178.7	61.9	0	0	0	110.4	E112 K113 A126 G136	E112-L124 HydrophobicContact CB-CG 4.48Å; E112-L124 HydrophobicContact CG-CD2 4.01Å; E112-L124 HydrophobicContact CG-CG 4.22Å; K113-L124 WeakPolarHBondContact CG-O 3.28Å; L124-A126 WeakPolarHBondContact CD1-O 3.44Å; L124-G136 VanDerWaalsContact CD1-CA 3.45Å
125	I	89.1	Confident	85.3	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-45.1	179.8	-43.7	-179.1	0	0	0	111	W111 E112 K113 I119 D123 F137 M145	W111-I125 HydrophobicContact CE3-CG2 4.07Å; W111-I125 HydrophobicContact CZ3-CG2 3.79Å; E112-I125 PolarHBondContact N-O 2.78Å; K113-I125 HydrophobicContact CB-CG2 4.22Å; K113-I125 HydrophobicContact CG-CG2 4.38Å; K113-I125 PolarHBondContact N-O 3.34Å; I119-I125 HydrophobicContact CD1-CD1 4.42Å; I119-I125 HydrophobicContact CD1-CG1 4.43Å; I119-I125 HydrophobicContact CD1-CG2 4.18Å; I119-I125 HydrophobicContact CG2-CD1 4.49Å; I119-I125 HydrophobicContact CG2-CG1 4.22Å; D123-I125 PolarHBondContact O-N 3.15Å; I125-F137 HydrophobicContact CB-CD1 4.38Å; I125-F137 WeakPolarHBondContact CB-O 3.47Å; I125-F137 HydrophobicContact CD1-CD1 4.37Å; I125-F137 HydrophobicContact CD1-CE1 3.96Å; I125-F137 HydrophobicContact CD1-CZ 4.36Å; I125-F137 PolarHBondContact N-O 2.88Å; I125-M145 HydrophobicContact CG2-CE 3.56Å
126	A	89.5	Confident	85.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	152.7	-175.7	0	0	0	0	0	112.5	I108 R110 W111 L124 F137	I108-A126 HydrophobicContact CG2-CB 4.47Å; R110-A126 CarbonylContact O-C 3.57Å; R110-A126 WeakPolarHBondContact O-CA 3.48Å; R110-A126 WeakPolarHBondContact O-CB 3.48Å; W111-A126 HydrophobicContact CD2-CB 4.18Å; W111-A126 HydrophobicContact CE3-CB 3.81Å; W111-A126 HydrophobicContact CZ3-CB 4.12Å; L124-A126 WeakPolarHBondContact CD1-O 3.44Å; A126-F137 PolarHBondContact N-O 3.41Å; A126-F137 PolarHBondContact O-N 3.45Å
127	E	88.9	Confident	85.8	Confident	57 Å²	57	55.2 Å²	55.2	27%	0.266	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127	165	-62.3	-172.7	135.7	0	0	109	A109 R110 T134	A109-E127 HydrophobicContact CB-CB 4.17Å; A109-E127 WeakPolarHBondContact CB-O 3.37Å; A109-E127 PolarHBondContact N-O 3.43Å; R110-E127 HydrophobicContact CB-CB 4.3Å; R110-E127 HydrophobicContact CB-CG 4.47Å; R110-E127 IonicContact CZ-OE2 3.78Å; R110-E127 VanDerWaalsContact CZ-OE2 3.31Å; R110-E127 PolarHBondContact N-O 3.34Å; R110-E127 IonicContact NH1-OE1 2.71Å; R110-E127 IonicContact NH1-OE2 2.63Å; R110-E127 PolarHBondContact NH1-OE2 2.93Å; R110-E127 IonicContact NH2-OE2 3.51Å; R110-E127 PolarHBondContact O-N 3.08Å; E127-T134 HydrophobicContact CB-CG2 4.06Å
128	V	89.8	Confident	86	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.2	178.6	-178.2	0	0	0	0	109.9	L96 L99 M103 T107 T134 V135 F137	L96-V128 HydrophobicContact CD1-CG1 4.2Å; L96-V128 HydrophobicContact CD1-CG2 4.1Å; L99-V128 HydrophobicContact CD1-CB 3.65Å; L99-V128 HydrophobicContact CD1-CG1 3.96Å; L99-V128 HydrophobicContact CD1-CG2 3.91Å; M103-V128 HydrophobicContact CE-CG1 4.12Å; T107-V128 CarbonylContact O-C 3.48Å; T107-V128 WeakPolarHBondContact O-CA 3.18Å; V128-T134 CarbonylContact O-C 3.57Å; V128-T134 WeakPolarHBondContact O-CA 3.21Å; V128-V135 PolarHBondContact N-O 2.81Å; V128-V135 PolarHBondContact O-N 3.12Å; V128-F137 HydrophobicContact CG2-CB 4.33Å
129	E	87	Confident	86	Confident	102 Å²	102	54.4 Å²	54.4	48%	0.477	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.3	173.2	-173.8	176.5	-178	0	0	110	T107 A109	T107-E129 PolarHBondContact N-O 2.89Å; T107-E129 PolarHBondContact O-N 2.9Å; A109-E129 HydrophobicContact CB-CB 4.36Å
130	T	86.6	Confident	85.7	Confident	17 Å²	17	61 Å²	61	10%	0.104	34%	0.337	C	S	.	.			trans	-109.3	175.3	179.2	71.5	0	0	0	0	111.2	L99 M103 K132 A133 V135	L99-T130 HydrophobicContact CB-CG2 4.11Å; M103-T130 HydrophobicContact CE-CG2 4.17Å; M103-T130 HydrophobicContact SD-CG2 3.99Å; T130-K132 PolarHBondContact O-N 3.38Å; T130-K132 PolarHBondContact OG1-N 2.91Å; T130-A133 WeakPolarHBondContact CB-O 3.47Å; T130-A133 PolarHBondContact N-O 3.27Å; T130-A133 PolarHBondContact OG1-N 3.4Å; T130-A133 VanDerWaalsContact OG1-N 3.14Å; T130-A133 PolarHBondContact OG1-O 2.96Å; T130-V135 HydrophobicContact CG2-CG2 4.36Å
131	D	79	Confident	85.5	Confident	71 Å²	71	63.1 Å²	63.1	38%	0.38	35%	0.346	S	S	.	.	S	Bend	trans	-64	1.2	176.1	72.8	-54.5	0	0	0	115.4	S100 T102	S100-D131 PolarHBondContact OG-OD1 2.66Å; T102-D131 WeakPolarHBondContact CB-OD2 3.22Å; T102-D131 PolarHBondContact OG1-OD1 3.28Å; T102-D131 PolarHBondContact OG1-OD2 3.23Å
132	K	75.9	Confident	85.5	Confident	149 Å²	149	62 Å²	62	65%	0.648	34%	0.34	S	S	*	.	S	Bend	trans	-136.9	-35.7	-177.6	-62.7	-67.5	164	-69.5	0	114.2	T130	T130-K132 PolarHBondContact O-N 3.38Å; T130-K132 PolarHBondContact OG1-N 2.91Å
133	A	81.3	Confident	85.8	Confident	51 Å²	51	60 Å²	60	42%	0.421	32%	0.319	S	S	.	.			trans	-162.6	160.8	-178.3	0	0	0	0	0	112	T130 V135	T130-A133 WeakPolarHBondContact CB-O 3.47Å; T130-A133 PolarHBondContact N-O 3.27Å; T130-A133 PolarHBondContact OG1-N 3.4Å; T130-A133 VanDerWaalsContact OG1-N 3.14Å; T130-A133 PolarHBondContact OG1-O 2.96Å; A133-V135 HydrophobicContact CB-CG2 4.35Å
134	T	86.7	Confident	85.7	Confident	80 Å²	80	60.7 Å²	60.7	49%	0.491	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.6	159.5	-44.9	0	0	0	0	109	A109 E127 V128	A109-T134 HydrophobicContact CB-CG2 4.37Å; E127-T134 HydrophobicContact CB-CG2 4.06Å; V128-T134 CarbonylContact O-C 3.57Å; V128-T134 WeakPolarHBondContact O-CA 3.21Å
135	V	89.3	Confident	85.7	Confident	45 Å²	45	57.4 Å²	57.4	27%	0.273	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.6	-176.7	-179.2	0	0	0	0	108.8	L99 V128 T130 A133	L99-V135 HydrophobicContact CB-CB 4.43Å; L99-V135 HydrophobicContact CB-CG1 4.29Å; L99-V135 HydrophobicContact CD1-CB 4.43Å; L99-V135 HydrophobicContact CD1-CG1 4.44Å; L99-V135 HydrophobicContact CD2-CG1 4.34Å; V128-V135 PolarHBondContact N-O 2.81Å; V128-V135 PolarHBondContact O-N 3.12Å; T130-V135 HydrophobicContact CG2-CG2 4.36Å; A133-V135 HydrophobicContact CB-CG2 4.35Å
136	G	88.4	Confident	85.4	Confident	42 Å²	42	57.3 Å²	57.3	43%	0.433	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	133.7	173.5	0	0	0	0	0	111.5	L124	L124-G136 VanDerWaalsContact CD1-CA 3.45Å
137	F	90	Very high	85.2	Confident	29 Å²	29	59.6 Å²	59.6	13%	0.127	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	110.1	172.1	173.2	-128.9	0	0	0	110	V94 P97 L99 I125 A126 V128 I163	V94-F137 HydrophobicContact CG1-CE1 3.84Å; V94-F137 HydrophobicContact CG1-CZ 3.74Å; P97-F137 HydrophobicContact CG-CD2 3.79Å; P97-F137 HydrophobicContact CG-CE2 3.72Å; P97-F137 HydrophobicContact CG-CZ 4.44Å; L99-F137 HydrophobicContact CD1-CB 4.47Å; I125-F137 HydrophobicContact CB-CD1 4.38Å; I125-F137 WeakPolarHBondContact CB-O 3.47Å; I125-F137 HydrophobicContact CD1-CD1 4.37Å; I125-F137 HydrophobicContact CD1-CE1 3.96Å; I125-F137 HydrophobicContact CD1-CZ 4.36Å; I125-F137 PolarHBondContact N-O 2.88Å; A126-F137 PolarHBondContact N-O 3.41Å; A126-F137 PolarHBondContact O-N 3.45Å; V128-F137 HydrophobicContact CG2-CB 4.33Å; F137-I163 HydrophobicContact CD1-CD1 4.06Å; F137-I163 HydrophobicContact CE1-CD1 3.86Å
138	E	89.8	Confident	85.1	Confident	112 Å²	112	58.5 Å²	58.5	52%	0.523	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	155.5	-178	65.3	-169.5	174.5	0	0	113	D123	D123-E138 CarbonylContact O-C 3.53Å; D123-E138 WeakPolarHBondContact O-CA 3.4Å
139	S	84.6	Confident	84.8	Confident	11 Å²	11	60.9 Å²	60.9	8%	0.077	32%	0.319	C	S	.	.			trans	-82.6	136	175	-162.1	0	0	0	0	112.3	G122 D123 E141	G122-S139 PolarHBondContact N-O 2.69Å; D123-S139 PolarHBondContact O-N 3.5Å; S139-E141 PolarHBondContact OG-N 3.08Å; S139-E141 PolarHBondContact OG-O 3.26Å
140	L	81.2	Confident	84.7	Confident	138 Å²	138	57 Å²	57	72%	0.723	30%	0.303	S	S	*	.	S	Bend	trans	-92.9	-5.5	172.9	-57.2	179.6	0	0	0	113.2
141	E	79.8	Confident	84.5	Confident	105 Å²	105	57.8 Å²	57.8	49%	0.491	31%	0.31	S	S	.	.	S	Bend	trans	-142.6	147.5	-174.2	-65.1	177.9	-178.8	0	0	111.1	Q92 S139 C143	Q92-E141 PolarHBondContact NE2-OE2 2.94Å; Q92-E141 PolarHBondContact OE1-OE2 2.82Å; S139-E141 PolarHBondContact OG-N 3.08Å; S139-E141 PolarHBondContact OG-O 3.26Å; E141-C143 PolarHBondContact O-N 2.79Å
142	E	85	Confident	84.8	Confident	127 Å²	127	58.9 Å²	58.9	59%	0.593	31%	0.313	S	S	*	.			trans	-70.5	120.5	170	-71.2	-154.9	-171.5	0	0	110.9	K118 I119	K118-E142 WeakPolarHBondContact CE-OE2 3.49Å; K118-E142 IonicContact NZ-OE1 2.74Å; K118-E142 IonicContact NZ-OE2 3.84Å; K118-E142 PolarHBondContact NZ-OE2 3.41Å; I119-E142 WeakPolarHBondContact O-CA 3.49Å
143	C	85.8	Confident	85.1	Confident	7 Å²	7	53.9 Å²	53.9	5%	0.047	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	177.3	-178.8	62	0	0	0	0	112.6	I119 E141	I119-C143 PolarHBondContact N-O 3.44Å; I119-C143 PolarHBondContact O-N 3.02Å; E141-C143 PolarHBondContact O-N 2.79Å
144	Y	86.1	Confident	85.2	Confident	58 Å²	58	53 Å²	53	23%	0.227	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.3	171.1	-62.1	-97.5	0	0	0	110.2	D117 K118 A146 T166 V167 P170 I173	D117-Y144 WeakPolarHBondContact O-CA 3.47Å; K118-Y144 HydrophobicContact CB-CD1 4Å; K118-Y144 HydrophobicContact CB-CE1 3.78Å; K118-Y144 HydrophobicContact CD-CE1 4.43Å; K118-Y144 HydrophobicContact CG-CD1 4.19Å; K118-Y144 HydrophobicContact CG-CE1 3.8Å; Y144-A146 PolarHBondContact O-N 2.65Å; Y144-T166 CarbonylContact O-C 3.59Å; Y144-T166 VanDerWaalsContact O-CA 3.23Å; Y144-T166 WeakPolarHBondContact O-CA 3.36Å; Y144-V167 PolarHBondContact N-O 2.79Å; Y144-V167 PolarHBondContact O-N 2.87Å; Y144-P170 HydrophobicContact CD1-CB 4.28Å; Y144-P170 HydrophobicContact CE1-CB 4.01Å; Y144-P170 HydrophobicContact CE1-CG 4.5Å; Y144-I173 HydrophobicContact CD1-CD1 4.21Å; Y144-I173 HydrophobicContact CG-CD1 4.22Å
145	M	85.6	Confident	85	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	110.9	175.4	-176.6	65	83.8	0	0	110.1	W111 K113 K114 G116 D117 I119 I125 I148 C164	W111-M145 HydrophobicContact CE3-CE 4.11Å; W111-M145 HydrophobicContact CZ3-CE 3.81Å; K113-M145 HydrophobicContact CB-CE 4.32Å; K114-M145 VanDerWaalsContact O-CB 3.28Å; K114-M145 WeakPolarHBondContact O-CB 3.35Å; K114-M145 WeakPolarHBondContact O-CG 3.44Å; G116-M145 PolarHBondContact N-O 3.47Å; D117-M145 PolarHBondContact O-N 2.95Å; I119-M145 HydrophobicContact CD1-CB 4.2Å; I119-M145 HydrophobicContact CD1-CE 4.06Å; I125-M145 HydrophobicContact CG2-CE 3.56Å; M145-I148 HydrophobicContact CE-CG1 4.26Å; M145-I148 HydrophobicContact CG-CG1 4.29Å; M145-I148 HydrophobicContact SD-CG1 3.97Å; M145-C164 HydrophobicContact CE-CB 4.2Å; M145-C164 HydrophobicContact SD-CB 3.66Å
146	A	83.6	Confident	84.7	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.017	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-44	-177.3	0	0	0	0	0	112.8	Y144 I165 V167 F176	Y144-A146 PolarHBondContact O-N 2.65Å; A146-I165 WeakPolarHBondContact CA-O 3.06Å; A146-I165 HydrophobicContact CB-CB 4.5Å; A146-I165 HydrophobicContact CB-CG2 4.19Å; A146-I165 WeakPolarHBondContact CB-O 3.47Å; A146-I165 PolarHBondContact N-O 2.93Å; A146-V167 HydrophobicContact CB-CG1 3.9Å; A146-V167 HydrophobicContact CB-CG2 4.04Å; A146-F176 HydrophobicContact CB-CB 4.13Å; A146-F176 HydrophobicContact CB-CD2 4.2Å; A146-F176 HydrophobicContact CB-CG 4.27Å
147	K	84	Confident	84.6	Confident	48 Å²	48	60.7 Å²	60.7	21%	0.209	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	135.6	178.5	-162.6	76.3	-171	109.2	0	111.3	E115 L149 C164 I165	E115-K147 WeakPolarHBondContact OE1-CD 3.26Å; E115-K147 WeakPolarHBondContact OE1-CE 3.13Å; E115-K147 IonicContact OE1-NZ 2.89Å; E115-K147 PolarHBondContact OE1-NZ 3.46Å; E115-K147 IonicContact OE2-NZ 2.82Å; E115-K147 PolarHBondContact OE2-NZ 2.94Å; K147-L149 HydrophobicContact CB-CD2 4.48Å; K147-L149 HydrophobicContact CG-CD2 3.96Å; K147-C164 CarbonylContact O-C 3.5Å; K147-C164 VanDerWaalsContact O-CA 3.28Å; K147-C164 WeakPolarHBondContact O-CA 3.32Å; K147-C164 WeakPolarHBondContact O-CB 3.43Å; K147-I165 PolarHBondContact N-O 2.92Å; K147-I165 PolarHBondContact O-N 2.92Å
148	I	88.6	Confident	84.5	Confident	35 Å²	35	62.8 Å²	62.8	18%	0.179	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.8	167.3	-65.6	170.5	0	0	0	107.8	W111 E115 M145 V150 C164	W111-I148 HydrophobicContact CB-CD1 4.42Å; W111-I148 HydrophobicContact CD2-CD1 3.95Å; W111-I148 HydrophobicContact CD2-CG1 4.36Å; W111-I148 HydrophobicContact CD2-CG2 4.27Å; W111-I148 HydrophobicContact CE3-CD1 4.21Å; W111-I148 HydrophobicContact CE3-CG1 4.44Å; W111-I148 HydrophobicContact CG-CD1 4.06Å; W111-I148 HydrophobicContact CZ2-CG2 3.72Å; E115-I148 HydrophobicContact CG-CB 4.42Å; E115-I148 HydrophobicContact CG-CD1 4.26Å; E115-I148 HydrophobicContact CG-CG1 4.13Å; E115-I148 PolarHBondContact OE1-N 2.88Å; M145-I148 HydrophobicContact CE-CG1 4.26Å; M145-I148 HydrophobicContact CG-CG1 4.29Å; M145-I148 HydrophobicContact SD-CG1 3.97Å; I148-V150 VanDerWaalsContact CG2-O 3.29Å; I148-V150 WeakPolarHBondContact CG2-O 3.4Å; I148-C164 HydrophobicContact CG1-CB 4.49Å
149	L	83.3	Confident	84.3	Confident	49 Å²	49	60.6 Å²	60.6	26%	0.257	31%	0.314	S	S	.	.			trans	-106.3	-23.1	-176.8	-59.6	-177.2	0	0	0	113	K147 I162 I163 I165 L181	K147-L149 HydrophobicContact CB-CD2 4.48Å; K147-L149 HydrophobicContact CG-CD2 3.96Å; L149-I162 HydrophobicContact CD1-CB 4.47Å; L149-I162 HydrophobicContact CD1-CG2 3.9Å; L149-I163 PolarHBondContact N-O 2.94Å; L149-I165 HydrophobicContact CD1-CD1 4.12Å; L149-I165 HydrophobicContact CD1-CG1 4.04Å; L149-L181 HydrophobicContact CD1-CD1 3.85Å; L149-L181 HydrophobicContact CD1-CG 4.06Å
150	V	84	Confident	84.3	Confident	22 Å²	22	62.2 Å²	62.2	13%	0.133	33%	0.332	C	S	.	.	S	Bend	trans	-116.9	122.3	178.7	-179.6	0	0	0	0	109.7	I108 W111 I148 T154 V157 I163	I108-V150 HydrophobicContact CD1-CB 3.83Å; I108-V150 HydrophobicContact CD1-CG1 3.59Å; I108-V150 HydrophobicContact CG1-CG1 4.36Å; W111-V150 PolarHBondContact NE1-O 2.68Å; I148-V150 VanDerWaalsContact CG2-O 3.29Å; I148-V150 WeakPolarHBondContact CG2-O 3.4Å; V150-T154 HydrophobicContact CG1-CG2 3.8Å; V150-V157 HydrophobicContact CG1-CG2 3.86Å; V150-I163 HydrophobicContact CB-CG2 4.45Å; V150-I163 HydrophobicContact CG2-CG2 4.22Å; V150-I163 PolarHBondContact N-O 2.89Å
151	A	83.1	Confident	84.6	Confident	32 Å²	32	57.1 Å²	57.1	26%	0.264	31%	0.31	S	S	.	.			trans	-70.5	152.1	-175.9	0	0	0	0	0	112.6	T154 P189	A151-T154 PolarHBondContact N-OG1 2.97Å; A151-T154 VanDerWaalsContact O-CB 3.24Å; A151-T154 WeakPolarHBondContact O-CB 3.43Å; A151-T154 PolarHBondContact O-N 2.63Å; A151-T154 PolarHBondContact O-OG1 2.9Å; A151-P189 HydrophobicContact CB-CG 4.13Å
152	E	85.5	Confident	84.9	Confident	94 Å²	94	54.4 Å²	54.4	44%	0.439	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	138.2	168.4	-174.5	166.6	147	0	0	111.7	W111 T154 P189	W111-E152 PolarHBondContact N-OE2 2.91Å; E152-T154 VanDerWaalsContact C-N 3.28Å; E152-T154 PolarHBondContact O-N 2.87Å; E152-P189 VanDerWaalsContact O-CG 3.31Å; E152-P189 WeakPolarHBondContact O-CG 3.47Å
153	G	81	Confident	85	Confident	45 Å²	45	48.4 Å²	48.4	46%	0.464	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	0.5	-175	0	0	0	0	0	115	I108 R155	I108-G153 WeakPolarHBondContact O-CA 3.25Å; I108-G153 PolarHBondContact O-N 3.24Å; G153-R155 PolarHBondContact O-N 2.82Å
154	T	84.4	Confident	85.1	Confident	32 Å²	32	48.1 Å²	48.1	20%	0.196	27%	0.268	C	S	.	.			trans	-68.4	122.2	175.1	-54.4	0	0	0	0	110.1	T107 I108 V150 A151 E152 V157	T107-T154 WeakPolarHBondContact CA-O 3.49Å; I108-T154 PolarHBondContact N-O 3.07Å; I108-T154 VanDerWaalsContact N-O 3.11Å; V150-T154 HydrophobicContact CG1-CG2 3.8Å; A151-T154 PolarHBondContact N-OG1 2.97Å; A151-T154 VanDerWaalsContact O-CB 3.24Å; A151-T154 WeakPolarHBondContact O-CB 3.43Å; A151-T154 PolarHBondContact O-N 2.63Å; A151-T154 PolarHBondContact O-OG1 2.9Å; E152-T154 VanDerWaalsContact C-N 3.28Å; E152-T154 PolarHBondContact O-N 2.87Å; T154-V157 HydrophobicContact CG2-CG2 3.87Å
155	R	82.8	Confident	85.1	Confident	191 Å²	191	45.3 Å²	45.3	72%	0.721	26%	0.258	S	S	*	.			trans	-91.3	163	179.8	-62.3	-179	-179.2	167.5	-0	112.3	T107 G153 V157	T107-R155 HydrophobicContact CG2-CG 3.85Å; T107-R155 WeakPolarHBondContact OG1-CA 3.26Å; G153-R155 PolarHBondContact O-N 2.82Å; R155-V157 PolarHBondContact O-N 2.63Å; R155-V157 VanDerWaalsContact O-N 3.15Å
156	D	82.3	Confident	85.2	Confident	128 Å²	128	45.5 Å²	45.5	68%	0.684	26%	0.258	S	S	*	.			trans	55.3	33.1	168.9	-53.6	-54.7	0	0	0	114.5	G106 P158	G106-D156 PolarHBondContact O-N 3.23Å; D156-P158 WeakPolarHBondContact O-CD 3.48Å
157	V	86.6	Confident	85.2	Confident	9 Å²	9	45.5 Å²	45.5	6%	0.055	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	114.8	174.5	-175	0	0	0	0	108.7	L96 A105 G106 V150 T154 R155 A161 I163	L96-V157 HydrophobicContact CD2-CB 4.08Å; L96-V157 HydrophobicContact CD2-CG1 3.93Å; L96-V157 VanDerWaalsContact CD2-O 3.29Å; L96-V157 WeakPolarHBondContact CD2-O 3.16Å; A105-V157 CarbonylContact C-O 3.48Å; A105-V157 WeakPolarHBondContact CA-O 3.32Å; A105-V157 WeakPolarHBondContact CB-O 3.43Å; G106-V157 PolarHBondContact N-O 3.5Å; G106-V157 WeakPolarHBondContact O-CB 3.37Å; G106-V157 PolarHBondContact O-N 2.81Å; V150-V157 HydrophobicContact CG1-CG2 3.86Å; T154-V157 HydrophobicContact CG2-CG2 3.87Å; R155-V157 PolarHBondContact O-N 2.63Å; R155-V157 VanDerWaalsContact O-N 3.15Å; V157-A161 HydrophobicContact CG1-CB 3.91Å; V157-I163 HydrophobicContact CG1-CG2 4.14Å
158	P	87.4	Confident	85	Confident	74 Å²	74	46.1 Å²	46.1	48%	0.481	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	148.8	-174.6	28.6	-32.3	0	0	0	111.7	D156 G160 A161	D156-P158 WeakPolarHBondContact O-CD 3.48Å; P158-G160 PolarHBondContact O-N 2.85Å; P158-A161 HydrophobicContact CG-CB 4.12Å; P158-A161 WeakPolarHBondContact O-CB 3.39Å; P158-A161 PolarHBondContact O-N 2.71Å
159	I	85.6	Confident	84.5	Confident	65 Å²	65	49.2 Å²	49.2	33%	0.333	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	133.4	174.6	-65.2	167.7	0	0	0	109.5	M103 Q104	M103-I159 HydrophobicContact CB-CD1 3.95Å; M103-I159 HydrophobicContact CG-CD1 3.88Å; M103-I159 HydrophobicContact CG-CG1 4.27Å; M103-I159 WeakPolarHBondContact O-CD1 3.19Å; M103-I159 HydrophobicContact SD-CD1 4.23Å; M103-I159 HydrophobicContact SD-CG1 4.3Å; Q104-I159 PolarHBondContact O-N 2.84Å; Q104-I159 VanDerWaalsContact O-N 3.13Å
160	G	84.5	Confident	84.3	Confident	45 Å²	45	50.1 Å²	50.1	46%	0.464	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-12.6	-174.4	0	0	0	0	0	115.2	L96 P158	L96-G160 PolarHBondContact O-N 2.96Å; P158-G160 PolarHBondContact O-N 2.85Å
161	A	86.8	Confident	83.8	Confident	31 Å²	31	55.6 Å²	55.6	26%	0.256	32%	0.324	S	S	.	.			trans	-65.8	137.9	172.7	0	0	0	0	0	111.2	P95 L96 V157 P158 I163	P95-A161 CarbonylContact C-O 3.57Å; P95-A161 VanDerWaalsContact CA-O 3.28Å; P95-A161 WeakPolarHBondContact CA-O 3.3Å; L96-A161 PolarHBondContact N-O 2.92Å; V157-A161 HydrophobicContact CG1-CB 3.91Å; P158-A161 HydrophobicContact CG-CB 4.12Å; P158-A161 WeakPolarHBondContact O-CB 3.39Å; P158-A161 PolarHBondContact O-N 2.71Å; A161-I163 PolarHBondContact O-N 3.06Å
162	I	87.4	Confident	83.4	Confident	49 Å²	49	55.7 Å²	55.7	25%	0.251	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	111.5	-177.4	-53.4	158.5	0	0	0	109.2	K93 V94 L149 C164 L181	K93-I162 HydrophobicContact CB-CD1 4.3Å; K93-I162 HydrophobicContact CB-CG1 4.34Å; K93-I162 HydrophobicContact CB-CG2 3.9Å; K93-I162 HydrophobicContact CD-CD1 3.99Å; K93-I162 HydrophobicContact CG-CG2 4.4Å; V94-I162 WeakPolarHBondContact O-CA 3.49Å; L149-I162 HydrophobicContact CD1-CB 4.47Å; L149-I162 HydrophobicContact CD1-CG2 3.9Å; I162-C164 WeakPolarHBondContact CG2-O 3.41Å; I162-L181 HydrophobicContact CD1-CD1 4.39Å; I162-L181 HydrophobicContact CD1-CD2 4.19Å
163	I	87.8	Confident	82.8	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-34	-176.1	53.9	172	0	0	0	112.7	V94 L96 I108 W111 F137 L149 V150 V157 A161	V94-I163 HydrophobicContact CG1-CG1 4.41Å; V94-I163 WeakPolarHBondContact O-CG1 3.47Å; V94-I163 PolarHBondContact O-N 2.81Å; L96-I163 HydrophobicContact CB-CG2 3.95Å; L96-I163 HydrophobicContact CD1-CD1 4.26Å; L96-I163 HydrophobicContact CD1-CG2 4.43Å; I108-I163 HydrophobicContact CD1-CB 4.17Å; I108-I163 HydrophobicContact CD1-CG2 3.85Å; W111-I163 HydrophobicContact CH2-CB 4.02Å; W111-I163 HydrophobicContact CH2-CD1 4.05Å; W111-I163 HydrophobicContact CH2-CG1 4.09Å; W111-I163 HydrophobicContact CZ2-CB 4.16Å; F137-I163 HydrophobicContact CD1-CD1 4.06Å; F137-I163 HydrophobicContact CE1-CD1 3.86Å; L149-I163 PolarHBondContact N-O 2.94Å; V150-I163 HydrophobicContact CB-CG2 4.45Å; V150-I163 HydrophobicContact CG2-CG2 4.22Å; V150-I163 PolarHBondContact N-O 2.89Å; V157-I163 HydrophobicContact CG1-CG2 4.14Å; A161-I163 PolarHBondContact O-N 3.06Å
164	C	87.4	Confident	82.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	173.1	175.4	64.7	0	0	0	0	112.4	V94 W111 M145 K147 I148 I162	V94-C164 PolarHBondContact N-O 2.99Å; W111-C164 HydrophobicContact CH2-CB 3.78Å; W111-C164 HydrophobicContact CZ3-CB 4.24Å; M145-C164 HydrophobicContact CE-CB 4.2Å; M145-C164 HydrophobicContact SD-CB 3.66Å; K147-C164 CarbonylContact O-C 3.5Å; K147-C164 VanDerWaalsContact O-CA 3.28Å; K147-C164 WeakPolarHBondContact O-CA 3.32Å; K147-C164 WeakPolarHBondContact O-CB 3.43Å; I148-C164 HydrophobicContact CG1-CB 4.49Å; I162-C164 WeakPolarHBondContact CG2-O 3.41Å
165	I	86.4	Confident	81.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.1	173.9	-60.2	178.3	0	0	0	108.3	H91 Q92 K93 A146 K147 L149 F176 Y179	H91-I165 HydrophobicContact CB-CG2 3.83Å; Q92-I165 WeakPolarHBondContact O-CA 3.37Å; K93-I165 HydrophobicContact CG-CG1 4.46Å; A146-I165 WeakPolarHBondContact CA-O 3.06Å; A146-I165 HydrophobicContact CB-CB 4.5Å; A146-I165 HydrophobicContact CB-CG2 4.19Å; A146-I165 WeakPolarHBondContact CB-O 3.47Å; A146-I165 PolarHBondContact N-O 2.93Å; K147-I165 PolarHBondContact N-O 2.92Å; K147-I165 PolarHBondContact O-N 2.92Å; L149-I165 HydrophobicContact CD1-CD1 4.12Å; L149-I165 HydrophobicContact CD1-CG1 4.04Å; I165-F176 HydrophobicContact CD1-CD1 4.46Å; I165-F176 HydrophobicContact CG2-CD1 4.31Å; I165-Y179 HydrophobicContact CD1-CD1 3.29Å; I165-Y179 HydrophobicContact CD1-CE1 3.43Å; I165-Y179 VanDerWaalsContact CD1-CE1 3.43Å; I165-Y179 HydrophobicContact CD1-CG 4.06Å
166	T	86.1	Confident	81.3	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.018	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	155.4	174.4	55	0	0	0	0	111.1	H91 Q92 V94 Y144	H91-T166 WeakPolarHBondContact CA-O 3.32Å; Q92-T166 PolarHBondContact N-O 3.41Å; Q92-T166 PolarHBondContact O-N 3.44Å; V94-T166 HydrophobicContact CG2-CG2 4.01Å; Y144-T166 CarbonylContact O-C 3.59Å; Y144-T166 VanDerWaalsContact O-CA 3.23Å; Y144-T166 WeakPolarHBondContact O-CA 3.36Å
167	V	84.9	Confident	80.5	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148.8	177.4	-68.9	0	0	0	0	110.7	H91 Y144 A146 K169 D172 I173 F176	H91-V167 HydrophobicContact CB-CG1 3.89Å; Y144-V167 PolarHBondContact N-O 2.79Å; Y144-V167 PolarHBondContact O-N 2.87Å; A146-V167 HydrophobicContact CB-CG1 3.9Å; A146-V167 HydrophobicContact CB-CG2 4.04Å; V167-K169 VanDerWaalsContact C-N 3.26Å; V167-K169 VanDerWaalsContact CG2-O 3.25Å; V167-K169 WeakPolarHBondContact CG2-O 3.27Å; V167-K169 PolarHBondContact O-N 2.89Å; V167-D172 HydrophobicContact CB-CB 4.21Å; V167-D172 HydrophobicContact CG1-CB 4.22Å; V167-D172 HydrophobicContact CG2-CB 4.36Å; V167-I173 HydrophobicContact CG2-CG1 3.69Å; V167-F176 HydrophobicContact CG1-CD2 4.03Å; V167-F176 HydrophobicContact CG1-CE2 3.74Å
168	G	79.8	Confident	79	Confident	62 Å²	62	54.4 Å²	54.4	64%	0.639	32%	0.315	S	S	*	.	S	Bend	trans	-77	-4.4	-179.3	0	0	0	0	0	115.1
169	K	78.4	Confident	78	Confident	100 Å²	100	52.8 Å²	52.8	44%	0.435	30%	0.299	S	S	.	.	S	Bend	trans	-140.8	147.3	-176.4	-69.1	179	157.7	-153.1	0	112.2	V167 E171 D172	V167-K169 VanDerWaalsContact C-N 3.26Å; V167-K169 VanDerWaalsContact CG2-O 3.25Å; V167-K169 WeakPolarHBondContact CG2-O 3.27Å; V167-K169 PolarHBondContact O-N 2.89Å; K169-E171 VanDerWaalsContact C-N 3.28Å; K169-E171 HydrophobicContact CB-CB 4.48Å; K169-E171 IonicContact NZ-OE2 2.61Å; K169-E171 PolarHBondContact NZ-OE2 3.18Å; K169-E171 PolarHBondContact O-N 3.22Å; K169-D172 WeakPolarHBondContact CD-OD2 3.31Å; K169-D172 PolarHBondContact O-N 3.36Å
170	P	77.4	Confident	76.3	Confident	68 Å²	68	55 Å²	55	44%	0.442	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-69.6	-27.2	175.1	30.2	-34.4	0	0	0	112.8	Y144 D172 I173	Y144-P170 HydrophobicContact CD1-CB 4.28Å; Y144-P170 HydrophobicContact CE1-CB 4.01Å; Y144-P170 HydrophobicContact CE1-CG 4.5Å; P170-D172 VanDerWaalsContact C-N 3.26Å; P170-D172 PolarHBondContact O-N 2.95Å; P170-I173 HydrophobicContact CB-CD1 4.37Å; P170-I173 WeakPolarHBondContact O-CG1 3.08Å; P170-I173 PolarHBondContact O-N 2.82Å
171	E	74.9	Confident	75	Confident	137 Å²	137	56.4 Å²	56.4	64%	0.64	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-58.1	-35.5	177.6	-68.2	155.3	-160.4	0	0	112.8	K169	K169-E171 VanDerWaalsContact C-N 3.28Å; K169-E171 HydrophobicContact CB-CB 4.48Å; K169-E171 IonicContact NZ-OE2 2.61Å; K169-E171 PolarHBondContact NZ-OE2 3.18Å; K169-E171 PolarHBondContact O-N 3.22Å
172	D	74.6	Confident	72.7	Confident	33 Å²	33	62.7 Å²	62.7	18%	0.176	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-86.1	-13.3	-170.5	-67.8	-46.6	0	0	0	113.4	P89 V167 K169 P170 E174 A175 F176	P89-D172 HydrophobicContact CB-CB 3.69Å; P89-D172 VanDerWaalsContact CB-CG 3.45Å; P89-D172 VanDerWaalsContact CB-OD1 3.27Å; P89-D172 WeakPolarHBondContact CB-OD1 3.37Å; P89-D172 HydrophobicContact CG-CB 3.94Å; P89-D172 WeakPolarHBondContact CG-OD1 3.45Å; V167-D172 HydrophobicContact CB-CB 4.21Å; V167-D172 HydrophobicContact CG1-CB 4.22Å; V167-D172 HydrophobicContact CG2-CB 4.36Å; K169-D172 WeakPolarHBondContact CD-OD2 3.31Å; K169-D172 PolarHBondContact O-N 3.36Å; P170-D172 VanDerWaalsContact C-N 3.26Å; P170-D172 PolarHBondContact O-N 2.95Å; D172-E174 VanDerWaalsContact C-N 3.27Å; D172-E174 PolarHBondContact O-N 3.39Å; D172-A175 WeakPolarHBondContact O-CB 3.31Å; D172-A175 PolarHBondContact O-N 3.18Å; D172-F176 WeakPolarHBondContact O-CD2 3.43Å
173	I	72.7	Confident	70	Confident	22 Å²	22	66 Å²	66	11%	0.113	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-57.2	-40.2	-177.5	-61.6	172.6	0	0	0	111.4	Y144 V167 P170 A175 F176	Y144-I173 HydrophobicContact CD1-CD1 4.21Å; Y144-I173 HydrophobicContact CG-CD1 4.22Å; V167-I173 HydrophobicContact CG2-CG1 3.69Å; P170-I173 HydrophobicContact CB-CD1 4.37Å; P170-I173 WeakPolarHBondContact O-CG1 3.08Å; P170-I173 PolarHBondContact O-N 2.82Å; I173-A175 PolarHBondContact O-N 3.28Å; I173-F176 PolarHBondContact O-N 3.07Å; I173-F176 VanDerWaalsContact O-N 3.15Å
174	E	70.7	Confident	67	Low	135 Å²	135	71.5 Å²	71.5	63%	0.631	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-63.5	-27.4	-175.7	-59.9	-137.5	104.9	0	0	113.3	D172 F176 K177	D172-E174 VanDerWaalsContact C-N 3.27Å; D172-E174 PolarHBondContact O-N 3.39Å; E174-F176 PolarHBondContact O-N 2.86Å; E174-K177 IonicContact OE1-NZ 3.81Å; E174-K177 PolarHBondContact OE1-NZ 3.32Å
175	A	73.8	Confident	64.3	Low	47 Å²	47	77.6 Å²	77.6	39%	0.388	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-68.1	-22	179.1	0	0	0	0	0	113.3	L88 P89 D172 I173	L88-A175 HydrophobicContact CD2-CB 4.37Å; P89-A175 HydrophobicContact CG-CB 3.77Å; D172-A175 WeakPolarHBondContact O-CB 3.31Å; D172-A175 PolarHBondContact O-N 3.18Å; I173-A175 PolarHBondContact O-N 3.28Å
176	F	71.5	Confident	61.5	Low	0 Å²	0	81.5 Å²	81.5	0%	0	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-100.6	-2.8	-175.5	-63.5	-85.5	0	0	0	114.2	L88 P89 H91 A146 I165 V167 D172 I173 E174 N178 Y179	L88-F176 HydrophobicContact CB-CE1 4.05Å; L88-F176 HydrophobicContact CB-CZ 3.92Å; L88-F176 HydrophobicContact CD1-CE1 4.03Å; L88-F176 HydrophobicContact CD2-CD1 4.47Å; L88-F176 HydrophobicContact CD2-CE1 4.08Å; L88-F176 HydrophobicContact CD2-CZ 4.29Å; L88-F176 HydrophobicContact CG-CE1 4.28Å; P89-F176 HydrophobicContact CB-CE2 4.13Å; P89-F176 HydrophobicContact CB-CZ 4.44Å; P89-F176 HydrophobicContact CG-CE2 4.07Å; H91-F176 HydrophobicContact CB-CE1 3.85Å; H91-F176 HydrophobicContact CB-CE2 4.06Å; H91-F176 HydrophobicContact CB-CZ 3.44Å; H91-F176 VanDerWaalsContact CB-CZ 3.44Å; H91-F176 AromaticContact CD2-CE1 3.83Å; H91-F176 AromaticContact CE1-CE1 3.98Å; H91-F176 AromaticContact CG-CE1 3.49Å; H91-F176 VanDerWaalsContact CG-CE1 3.49Å; H91-F176 AromaticContact CG-CZ 3.45Å; H91-F176 VanDerWaalsContact CG-CZ 3.45Å; H91-F176 AromaticContact ND1-CE1 3.6Å; H91-F176 AromaticContact ND1-CZ 3.43Å; H91-F176 WeakPolarHBondContact ND1-CZ 3.44Å; A146-F176 HydrophobicContact CB-CB 4.13Å; A146-F176 HydrophobicContact CB-CD2 4.2Å; A146-F176 HydrophobicContact CB-CG 4.27Å; I165-F176 HydrophobicContact CD1-CD1 4.46Å; I165-F176 HydrophobicContact CG2-CD1 4.31Å; V167-F176 HydrophobicContact CG1-CD2 4.03Å; V167-F176 HydrophobicContact CG1-CE2 3.74Å; D172-F176 WeakPolarHBondContact O-CD2 3.43Å; I173-F176 PolarHBondContact O-N 3.07Å; I173-F176 VanDerWaalsContact O-N 3.15Å; E174-F176 PolarHBondContact O-N 2.86Å; F176-N178 PolarHBondContact O-N 3.15Å; F176-Y179 HydrophobicContact CD1-CD2 4.1Å; F176-Y179 HydrophobicContact CD1-CG 4.09Å; F176-Y179 HydrophobicContact CE1-CD2 4.44Å; F176-Y179 VanDerWaalsContact O-CB 3.31Å; F176-Y179 WeakPolarHBondContact O-CB 3.43Å; F176-Y179 PolarHBondContact O-N 3.06Å
177	K	65.3	Low	59	Low	113 Å²	113	87.1 Å²	87.1	49%	0.491	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-31	179	-71.8	178.3	173.5	180	0	113.8	E174	E174-K177 IonicContact OE1-NZ 3.81Å; E174-K177 PolarHBondContact OE1-NZ 3.32Å
178	N	56.5	Low	56.4	Low	156 Å²	156	93.3 Å²	93.3	83%	0.834	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	20.6	177	-62.3	-37.7	0	0	0	113.3	F176 T180	F176-N178 PolarHBondContact O-N 3.15Å; N178-T180 PolarHBondContact O-N 3.26Å
179	Y	65.9	Low	54.2	Low	40 Å²	40	94.3 Å²	94.3	16%	0.157	55%	0.549	C	S	.	.			trans	-79.3	110.3	-178.7	-171.4	-91.8	0	0	0	111.8	L88 K93 I165 F176 L181	L88-Y179 HydrophobicContact CD1-CD2 3.55Å; L88-Y179 HydrophobicContact CD1-CE2 3.48Å; L88-Y179 VanDerWaalsContact CD1-CE2 3.48Å; K93-Y179 WeakPolarHBondContact CE-OH 3.35Å; K93-Y179 PolarHBondContact NZ-OH 3.02Å; I165-Y179 HydrophobicContact CD1-CD1 3.29Å; I165-Y179 HydrophobicContact CD1-CE1 3.43Å; I165-Y179 VanDerWaalsContact CD1-CE1 3.43Å; I165-Y179 HydrophobicContact CD1-CG 4.06Å; F176-Y179 HydrophobicContact CD1-CD2 4.1Å; F176-Y179 HydrophobicContact CD1-CG 4.09Å; F176-Y179 HydrophobicContact CE1-CD2 4.44Å; F176-Y179 VanDerWaalsContact O-CB 3.31Å; F176-Y179 WeakPolarHBondContact O-CB 3.43Å; F176-Y179 PolarHBondContact O-N 3.06Å; Y179-L181 HydrophobicContact CE1-CD2 3.84Å; Y179-L181 HydrophobicContact CE1-CG 4.21Å
180	T	50.2	Low	51.9	Low	112 Å²	112	98.8 Å²	98.8	69%	0.687	57%	0.572	S	S	*	*			trans	-104.6	138.4	164	52	0	0	0	0	109.5	N178	N178-T180 PolarHBondContact O-N 3.26Å
181	L	55.7	Low	49.6	Very low	74 Å²	74	100 Å²	100	39%	0.387	59%	0.588	S	S	.	*			trans	-63.4	147.2	163.9	-70.4	169.4	0	0	0	109.6	L149 I162 Y179 S183	L149-L181 HydrophobicContact CD1-CD1 3.85Å; L149-L181 HydrophobicContact CD1-CG 4.06Å; I162-L181 HydrophobicContact CD1-CD1 4.39Å; I162-L181 HydrophobicContact CD1-CD2 4.19Å; Y179-L181 HydrophobicContact CE1-CD2 3.84Å; Y179-L181 HydrophobicContact CE1-CG 4.21Å; L181-S183 PolarHBondContact O-N 3.36Å
182	D	39.7	Very low	47.6	Very low	163 Å²	163	98.1 Å²	98.1	87%	0.872	60%	0.595	S	S	*	*	S	Bend	trans	-66.2	92.9	176.3	-76.1	-62.2	0	0	0	111.2
183	S	30.5	Very low	45.5	Very low	118 Å²	118	102.6 Å²	102.6	83%	0.825	63%	0.626	S	S	*	*	S	Bend	trans	55.5	84.6	161.5	-63.4	0	0	0	0	118.8	L181	L181-S183 PolarHBondContact O-N 3.36Å
184	S	25.4	Very low	43.6	Very low	117 Å²	117	106.1 Å²	106.1	82%	0.818	66%	0.659	S	S	*	*				-154.5	135.2	122.1	-162.2	0	0	0	0	110.2
185	P	30.3	Very low	42.5	Very low	128 Å²	128	104.9 Å²	104.9	83%	0.831	66%	0.662	S	S	*	*			trans	-87.1	138.3	-170.7	33.2	-34.4	0	0	0	113.7
186	A	28.1	Very low	40.3	Very low	81 Å²	81	109 Å²	109	67%	0.669	68%	0.683	S	S	*	*			trans	-110.6	139	162.8	0	0	0	0	0	109.6
187	P	33.3	Very low	38.5	Very low	121 Å²	121	115 Å²	115	79%	0.786	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-79.4	145.2	-176.2	31.7	-34.8	0	0	0	112.7
188	T	29	Very low	37.2	Very low	132 Å²	132	114.6 Å²	114.6	81%	0.81	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-76.6	144.8	174	18.2	0	0	0	0	112.5
189	P	34	Very low	35.8	Very low	83 Å²	83	111.8 Å²	111.8	54%	0.539	74%	0.738	S	S	.	*	P	Polyproline II helix	trans	-83.8	153.4	174.4	20.8	-10.9	0	0	0	112.7	A151 E152	A151-P189 HydrophobicContact CB-CG 4.13Å; E152-P189 VanDerWaalsContact O-CG 3.31Å; E152-P189 WeakPolarHBondContact O-CG 3.47Å
190	Q	30.6	Very low	34	Very low	194 Å²	194	116.2 Å²	116.2	91%	0.907	77%	0.769	S	S	*	*			trans	-133.3	142.3	170.5	-175.4	170.5	-21.2	0	0	110.5
191	A	28.7	Very low	33.1	Very low	94 Å²	94	115.9 Å²	115.9	78%	0.777	78%	0.778	S	S	*	*			trans	-78	156.8	-170.5	0	0	0	0	0	114.6
192	A	32.1	Very low	32.1	Very low	97 Å²	97	117.4 Å²	117.4	80%	0.802	80%	0.795	S	S	*	*			trans	-90.3	153.8	-174.9	0	0	0	0	0	114.6
193	P	30.9	Very low	32	Very low	128 Å²	128	115 Å²	115	83%	0.831	79%	0.789	S	S	*	*			trans	-125.7	170.7	139.3	37.7	-28.6	0	0	0	112.2
194	A	33.3	Very low	32.3	Very low	96 Å²	96	114.9 Å²	114.9	79%	0.793	78%	0.784	S	S	*	*			trans	-151.4	169.5	-176.9	0	0	0	0	0	110.7
195	P	47.9	Very low	32.6	Very low	108 Å²	108	116.8 Å²	116.8	70%	0.701	78%	0.784	S	S	*	*			cis	-131.9	171.9	-14.3	37	-20.4	0	0	0	115.4
196	T	27	Very low	33	Very low	133 Å²	133	115.8 Å²	115.8	82%	0.816	78%	0.778	S	S	*	*			trans	64.7	159.9	157.5	43	0	0	0	0	120
197	P	35.2	Very low	33.6	Very low	127 Å²	127	117.7 Å²	117.7	83%	0.825	79%	0.786	S	S	*	*			cis	-113.9	-172.9	-3.9	40.3	-27.4	0	0	0	114.1
198	A	36.7	Very low	33.6	Very low	105 Å²	105	116.8 Å²	116.8	87%	0.868	79%	0.788	S	S	*	*			trans	-78.6	147.8	-166	0	0	0	0	0	116.3
199	A	27.8	Very low	33.9	Very low	97 Å²	97	115.2 Å²	115.2	80%	0.802	77%	0.772	S	S	*	*			trans	-148.2	157.6	162.3	0	0	0	0	0	111.2
200	T	28.5	Very low	33.6	Very low	132 Å²	132	115.2 Å²	115.2	81%	0.81	78%	0.779	S	S	*	*			trans	-36.1	138.9	-179.7	40.4	0	0	0	0	117.7
201	A	31.5	Very low	33.7	Very low	105 Å²	105	112.7 Å²	112.7	87%	0.868	78%	0.779	S	S	*	*			trans	-63.8	153.7	165.6	0	0	0	0	0	112.3
202	S	34.2	Very low	34.3	Very low	106 Å²	106	112 Å²	112	74%	0.741	78%	0.782	S	S	*	*			trans	-127.6	153.7	174.1	-65.3	0	0	0	0	109.4
203	P	37.6	Very low	35.1	Very low	114 Å²	114	110.5 Å²	110.5	74%	0.74	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-67.4	159.8	-176	27.6	-35.6	0	0	0	113.3
204	P	35.5	Very low	36.4	Very low	114 Å²	114	109.7 Å²	109.7	74%	0.74	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-67.4	161.7	176.7	30	-35.6	0	0	0	112.6
205	I	33.5	Very low	38	Very low	158 Å²	158	108.7 Å²	108.7	81%	0.81	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-100.9	135.2	178.7	-62.5	173.9	0	0	0	108.4
206	P	36.8	Very low	39.3	Very low	107 Å²	107	104.8 Å²	104.8	70%	0.695	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-63.7	147.2	-176.8	24.8	-35.1	0	0	0	113.1
207	S	40.7	Very low	41.8	Very low	121 Å²	121	101 Å²	101	85%	0.846	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-80.6	124.1	-177.4	48.8	0	0	0	0	112.2
208	A	34.2	Very low	44	Very low	101 Å²	101	96.8 Å²	96.8	84%	0.835	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-70.7	138.8	177.9	0	0	0	0	0	111.9
209	Q	34.9	Very low	46.2	Very low	99 Å²	99	94.7 Å²	94.7	46%	0.463	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-68	146.8	-178.5	-65.4	-175.8	-60.7	0	0	113.1	P216	Q209-P216 PolarHBondContact NE2-O 3.04Å
210	A	29.1	Very low	48.8	Very low	83 Å²	83	93.8 Å²	93.8	69%	0.686	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-72.3	142.3	166.3	0	0	0	0	0	111	G212	A210-G212 PolarHBondContact O-N 3.45Å
211	P	30.8	Very low	51.6	Low	141 Å²	141	88.5 Å²	88.5	92%	0.916	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	110.7	-176.9	29.3	-34.3	0	0	0	111.8
212	G	42.3	Very low	54.4	Low	80 Å²	80	87.5 Å²	87.5	83%	0.825	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	151	-7.9	166.8	0	0	0	0	0	118	A210	A210-G212 PolarHBondContact O-N 3.45Å
213	S	48.2	Very low	57	Low	66 Å²	66	82.6 Å²	82.6	46%	0.462	53%	0.525	S	S	.	.			trans	-74.8	139.3	176.9	49.9	0	0	0	0	112	Y215	S213-Y215 PolarHBondContact O-N 3.36Å; S213-Y215 VanDerWaalsContact O-N 3.12Å
214	S	58.3	Low	59.2	Low	111 Å²	111	79.4 Å²	79.4	78%	0.776	51%	0.505	S	S	*	.	S	Bend	trans	-82	27	179.1	60.9	0	0	0	0	113.7
215	Y	67.5	Low	61.5	Low	74 Å²	74	77.2 Å²	77.2	29%	0.29	50%	0.496	S	S	.	.	S	Bend	trans	-131.3	147	-169	-70.7	-75.8	0	0	0	111.1	S213 A302 F303 Y306	S213-Y215 PolarHBondContact O-N 3.36Å; S213-Y215 VanDerWaalsContact O-N 3.12Å; Y215-A302 WeakPolarHBondContact CE1-O 3.37Å; Y215-F303 HydrophobicContact CD1-CD1 4.17Å; Y215-F303 AromaticContact CD1-CE1 3.87Å; Y215-F303 HydrophobicContact CD1-CE1 3.87Å; Y215-F303 HydrophobicContact CD1-CZ 4.24Å; Y215-F303 HydrophobicContact CG-CE1 4.04Å; Y215-F303 HydrophobicContact CG-CZ 4.4Å; Y215-Y306 HydrophobicContact CD1-CD2 4.47Å; Y215-Y306 HydrophobicContact CD2-CD2 4.39Å; Y215-Y306 HydrophobicContact CE1-CD2 4.23Å; Y215-Y306 HydrophobicContact CE2-CD2 4.14Å
216	P	75.8	Confident	63.9	Low	26 Å²	26	71.9 Å²	71.9	17%	0.169	47%	0.469	C	S	.	.			trans	-53.7	167.1	174.1	-27.7	35.8	0	0	0	114.3	Q209 H218 D299 A302 F303	Q209-P216 PolarHBondContact NE2-O 3.04Å; P216-H218 PolarHBondContact O-N 2.99Å; P216-H218 PolarHBondContact O-ND1 3.06Å; P216-D299 HydrophobicContact CB-CB 3.84Å; P216-D299 HydrophobicContact CG-CB 3.88Å; P216-D299 VanDerWaalsContact CG-OD1 3.27Å; P216-D299 WeakPolarHBondContact CG-OD1 3.37Å; P216-A302 HydrophobicContact CG-CB 4.05Å; P216-F303 HydrophobicContact CB-CE2 4.16Å; P216-F303 HydrophobicContact CB-CZ 4.44Å; P216-F303 HydrophobicContact CG-CE2 4.11Å
217	P	78.6	Confident	65.8	Low	53 Å²	53	67.5 Å²	67.5	34%	0.344	44%	0.44	S	S	.	.	S	Bend	trans	-52.9	124	165.6	22.9	-34.2	0	0	0	110.8
218	H	81.1	Confident	67.3	Low	40 Å²	40	68.6 Å²	68.6	19%	0.185	45%	0.445	C	S	.	.			trans	-152	145.4	-176.6	66.6	-82	0	0	0	110.5	P216 Q220 I292 I293 V294 F303	P216-H218 PolarHBondContact O-N 2.99Å; P216-H218 PolarHBondContact O-ND1 3.06Å; H218-Q220 PolarHBondContact NE2-NE2 3.02Å; H218-I292 HydrophobicContact CB-CG2 3.83Å; H218-I293 WeakPolarHBondContact CA-O 3.27Å; H218-V294 HydrophobicContact CB-CG1 3.85Å; H218-F303 HydrophobicContact CB-CE1 3.89Å; H218-F303 HydrophobicContact CB-CE2 4.15Å; H218-F303 HydrophobicContact CB-CZ 3.49Å; H218-F303 VanDerWaalsContact CB-CZ 3.49Å; H218-F303 AromaticContact CD2-CE1 3.81Å; H218-F303 AromaticContact CE1-CE1 3.9Å; H218-F303 AromaticContact CG-CE1 3.5Å; H218-F303 AromaticContact CG-CZ 3.47Å; H218-F303 VanDerWaalsContact CG-CZ 3.47Å; H218-F303 AromaticContact ND1-CE1 3.57Å; H218-F303 AromaticContact ND1-CZ 3.43Å; H218-F303 WeakPolarHBondContact ND1-CZ 3.33Å
219	M	82.8	Confident	69.2	Low	61 Å²	61	68 Å²	68	30%	0.3	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.4	171.6	176	169.3	53.7	0	0	110.2	E268 I292 I293	M219-E268 HydrophobicContact CE-CB 3.9Å; M219-E268 HydrophobicContact CE-CG 4.02Å; M219-E268 WeakPolarHBondContact CE-OE2 3.43Å; M219-I292 WeakPolarHBondContact O-CA 3.3Å; M219-I293 HydrophobicContact CE-CD1 4.31Å; M219-I293 PolarHBondContact N-O 2.79Å; M219-I293 PolarHBondContact O-N 2.82Å
220	Q	84	Confident	71.3	Confident	78 Å²	78	63.7 Å²	63.7	36%	0.364	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	116.1	172	-59.1	-177.9	24.6	0	0	109	H218 L222 Y306	H218-Q220 PolarHBondContact NE2-NE2 3.02Å; Q220-L222 HydrophobicContact CB-CD2 4.45Å; Q220-L222 PolarHBondContact O-N 2.97Å; Q220-Y306 PolarHBondContact NE2-OH 2.98Å; Q220-Y306 VanDerWaalsContact NE2-OH 3.12Å
221	V	87	Confident	73.6	Confident	20 Å²	20	64.5 Å²	64.5	12%	0.121	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	111	-179.8	-176.1	0	0	0	0	108.7	F264 L290 C291 I293	V221-F264 HydrophobicContact CG1-CE1 3.67Å; V221-F264 HydrophobicContact CG1-CZ 3.74Å; V221-L290 PolarHBondContact O-N 2.91Å; V221-C291 PolarHBondContact N-O 3.25Å; V221-I293 HydrophobicContact CG2-CD1 3.54Å; V221-I293 HydrophobicContact CG2-CG1 3.91Å
222	L	89.3	Confident	76.2	Confident	84 Å²	84	62.3 Å²	62.3	44%	0.44	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	150.8	179	-48.3	-173.7	0	0	0	110.9	Q220 P224 T288 P289	Q220-L222 HydrophobicContact CB-CD2 4.45Å; Q220-L222 PolarHBondContact O-N 2.97Å; L222-P224 WeakPolarHBondContact O-CD 3.35Å; L222-T288 CarbonylContact C-O 3.48Å; L222-T288 WeakPolarHBondContact CA-O 3.36Å; L222-P289 HydrophobicContact CD2-CB 3.72Å
223	L	88.1	Confident	78.2	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.016	35%	0.349	C	S	.	.			trans	-66.5	114.5	172.4	-179.7	66.9	0	0	0	110.9	M230 I255 V284 G287 T288 L290	L223-M230 HydrophobicContact CD1-CE 4.31Å; L223-M230 HydrophobicContact CD2-CE 4.32Å; L223-M230 HydrophobicContact CG-CE 4.26Å; L223-I255 HydrophobicContact CD1-CD1 3.69Å; L223-I255 HydrophobicContact CD1-CG2 4.3Å; L223-V284 HydrophobicContact CD2-CB 4.16Å; L223-V284 HydrophobicContact CD2-CG1 3.96Å; L223-V284 VanDerWaalsContact CD2-O 3.32Å; L223-V284 WeakPolarHBondContact CD2-O 3.2Å; L223-G287 PolarHBondContact O-N 2.95Å; L223-T288 PolarHBondContact N-O 2.95Å; L223-L290 HydrophobicContact CB-CD1 4.09Å; L223-L290 HydrophobicContact CB-CD2 4.15Å; L223-L290 HydrophobicContact CB-CG 4.1Å; L223-L290 HydrophobicContact CD1-CD1 4.02Å
224	P	84.1	Confident	80.1	Confident	48 Å²	48	56.4 Å²	56.4	31%	0.312	33%	0.332	S	S	.	.			trans	-86.8	169.1	178.6	36.8	-34.5	0	0	0	112	L222 L226 M230 F264	L222-P224 WeakPolarHBondContact O-CD 3.35Å; P224-L226 HydrophobicContact CG-CD2 3.94Å; P224-L226 HydrophobicContact CG-CG 4.27Å; P224-L226 PolarHBondContact O-N 3.38Å; P224-M230 VanDerWaalsContact O-CE 3.23Å; P224-M230 WeakPolarHBondContact O-CE 3.18Å; P224-F264 HydrophobicContact CG-CD2 4.26Å; P224-F264 HydrophobicContact CG-CE2 3.68Å; P224-F264 HydrophobicContact CG-CZ 4.18Å
225	A	84.1	Confident	81.6	Confident	68 Å²	68	51.2 Å²	51.2	56%	0.562	30%	0.296	S	S	*	.			trans	-75.7	84.8	174.8	0	0	0	0	0	111.6	S227 L286	A225-S227 PolarHBondContact O-N 2.88Å; A225-L286 HydrophobicContact CB-CD1 4.06Å; A225-L286 HydrophobicContact CB-CD2 4.36Å
226	L	83.8	Confident	82.4	Confident	46 Å²	46	51.4 Å²	51.4	24%	0.241	30%	0.299	C	S	.	.	S	Bend	trans	-70.7	-7.2	178.9	-63.4	177.8	0	0	0	114.6	P224 M230 I255 T257 I262 F264	P224-L226 HydrophobicContact CG-CD2 3.94Å; P224-L226 HydrophobicContact CG-CG 4.27Å; P224-L226 PolarHBondContact O-N 3.38Å; L226-M230 HydrophobicContact CB-CE 4.2Å; L226-M230 HydrophobicContact CB-SD 4.37Å; L226-M230 HydrophobicContact CG-CE 4.47Å; L226-I255 HydrophobicContact CD1-CB 3.95Å; L226-I255 HydrophobicContact CD1-CD1 4.1Å; L226-I255 HydrophobicContact CD1-CG1 4.47Å; L226-I255 HydrophobicContact CD1-CG2 4.07Å; L226-T257 HydrophobicContact CB-CG2 4.16Å; L226-I262 HydrophobicContact CB-CD1 4.41Å; L226-F264 HydrophobicContact CD2-CD2 4.26Å
227	S	77.4	Confident	83	Confident	14 Å²	14	55.3 Å²	55.3	10%	0.098	31%	0.311	C	S	.	.	S	Bend	trans	-147.4	141.1	175.8	150.5	0	0	0	0	109.4	A225 T229 M230 D258	A225-S227 PolarHBondContact O-N 2.88Å; S227-T229 PolarHBondContact O-N 3.01Å; S227-T229 PolarHBondContact OG-N 3.25Å; S227-T229 PolarHBondContact OG-OG1 3.43Å; S227-M230 WeakPolarHBondContact O-CB 3.44Å; S227-M230 PolarHBondContact O-N 3.23Å; S227-D258 PolarHBondContact OG-OD1 3.28Å; S227-D258 VanDerWaalsContact OG-OD1 3.05Å
228	P	72.1	Confident	83.5	Confident	144 Å²	144	53.7 Å²	53.7	94%	0.935	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-13.4	178.5	-24.4	34.4	0	0	0	115.3
229	T	73.1	Confident	83.7	Confident	88 Å²	88	55 Å²	55	54%	0.54	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	2.8	176.8	50.7	0	0	0	0	113.8	S227 D258	S227-T229 PolarHBondContact O-N 3.01Å; S227-T229 PolarHBondContact OG-N 3.25Å; S227-T229 PolarHBondContact OG-OG1 3.43Å; T229-D258 PolarHBondContact OG1-OD1 3.23Å; T229-D258 PolarHBondContact OG1-OD2 2.98Å
230	M	79.6	Confident	83.7	Confident	9 Å²	9	53.2 Å²	53.2	4%	0.044	29%	0.294	C	S	.	.			trans	-84.3	121.7	-175.4	-171	173.7	99.4	0	0	112.2	L223 P224 L226 S227 M232 T257 L286	L223-M230 HydrophobicContact CD1-CE 4.31Å; L223-M230 HydrophobicContact CD2-CE 4.32Å; L223-M230 HydrophobicContact CG-CE 4.26Å; P224-M230 VanDerWaalsContact O-CE 3.23Å; P224-M230 WeakPolarHBondContact O-CE 3.18Å; L226-M230 HydrophobicContact CB-CE 4.2Å; L226-M230 HydrophobicContact CB-SD 4.37Å; L226-M230 HydrophobicContact CG-CE 4.47Å; S227-M230 WeakPolarHBondContact O-CB 3.44Å; S227-M230 PolarHBondContact O-N 3.23Å; M230-M232 VanDerWaalsContact CG-O 3.23Å; M230-M232 WeakPolarHBondContact CG-O 3.49Å; M230-T257 HydrophobicContact SD-CG2 3.57Å; M230-T257 VanDerWaalsContact SD-CG2 3.57Å; M230-L286 HydrophobicContact CE-CD2 3.51Å; M230-L286 WeakPolarHBondContact O-CD1 3.42Å
231	T	78.5	Confident	83.7	Confident	100 Å²	100	56.9 Å²	56.9	61%	0.613	31%	0.309	S	S	*	.	S	Bend	trans	-106.4	-16.3	168.2	53.5	0	0	0	0	113.1	L286	T231-L286 PolarHBondContact O-N 3.43Å
232	M	84	Confident	83.6	Confident	95 Å²	95	59.8 Å²	59.8	47%	0.468	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	148.7	179.2	59	-166.9	67.9	0	0	110	M230 D283 V284	M230-M232 VanDerWaalsContact CG-O 3.23Å; M230-M232 WeakPolarHBondContact CG-O 3.49Å; M232-D283 HydrophobicContact SD-CB 4.23Å; M232-V284 CarbonylContact C-O 3.53Å; M232-V284 WeakPolarHBondContact CA-O 3.44Å; M232-V284 WeakPolarHBondContact CB-O 3.24Å
233	G	84.9	Confident	83.1	Confident	4 Å²	4	57.5 Å²	57.5	4%	0.041	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	165.4	178.8	0	0	0	0	0	112.7	D283 V284	G233-D283 PolarHBondContact O-N 2.63Å; G233-V284 PolarHBondContact N-O 3.03Å; G233-V284 WeakPolarHBondContact O-CB 3.48Å; G233-V284 PolarHBondContact O-N 3.49Å
234	T	88.8	Confident	82.8	Confident	19 Å²	19	60.9 Å²	60.9	12%	0.117	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.9	174.1	-70	0	0	0	0	109.6	Q236 I255 E256 T281 R282	T234-Q236 PolarHBondContact O-N 3.14Å; T234-I255 CarbonylContact O-C 3.58Å; T234-I255 WeakPolarHBondContact O-CA 3.21Å; T234-E256 HydrophobicContact CG2-CB 4.49Å; T234-E256 PolarHBondContact N-O 2.97Å; T234-E256 PolarHBondContact O-N 2.91Å; T234-T281 WeakPolarHBondContact CA-O 3.47Å; T234-R282 HydrophobicContact CG2-CB 4.43Å; T234-R282 HydrophobicContact CG2-CG 3.71Å; T234-R282 WeakPolarHBondContact OG1-CA 3.47Å
235	V	89.1	Confident	82.7	Confident	2 Å²	2	63 Å²	63	1%	0.012	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	101.3	173	-177.8	0	0	0	0	107.5	A253 V277 G280 T281 L290	V235-A253 HydrophobicContact CG1-CB 4.49Å; V235-V277 HydrophobicContact CG2-CG1 4.03Å; V235-G280 WeakPolarHBondContact O-CA 3.05Å; V235-G280 PolarHBondContact O-N 2.88Å; V235-T281 PolarHBondContact N-O 3.17Å; V235-L290 HydrophobicContact CG2-CD2 4.14Å
236	Q	84.4	Confident	82.8	Confident	77 Å²	77	59.8 Å²	59.8	36%	0.36	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-48.5	179.3	-82.8	-170.4	-10.9	0	0	110.6	T234 E254 E256 T261	T234-Q236 PolarHBondContact O-N 3.14Å; Q236-E254 HydrophobicContact CB-CB 4.41Å; Q236-E254 PolarHBondContact N-O 3.19Å; Q236-E256 HydrophobicContact CG-CB 3.79Å; Q236-E256 VanDerWaalsContact NE2-CD 3.26Å; Q236-E256 PolarHBondContact NE2-OE2 2.95Å; Q236-T261 PolarHBondContact OE1-OG1 2.82Å
237	R	87.7	Confident	82.7	Confident	109 Å²	109	59.9 Å²	59.9	41%	0.411	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	141.9	-170.8	-176.3	162.7	164.7	-102.1	-22.1	111.7	E239 A253 E254	R237-E239 IonicContact CZ-OE1 3.01Å; R237-E239 IonicContact CZ-OE2 2.69Å; R237-E239 IonicContact NH1-OE1 2.76Å; R237-E239 PolarHBondContact NH1-OE1 3.2Å; R237-E239 IonicContact NH1-OE2 3.11Å; R237-E239 IonicContact NH2-OE1 2.64Å; R237-E239 PolarHBondContact NH2-OE1 2.8Å; R237-E239 IonicContact NH2-OE2 3.81Å; R237-E239 PolarHBondContact NH2-OE2 3.03Å; R237-A253 CarbonylContact O-C 3.53Å; R237-A253 VanDerWaalsContact O-CA 3.3Å; R237-A253 WeakPolarHBondContact O-CA 3.47Å; R237-A253 WeakPolarHBondContact O-CB 3.28Å; R237-E254 HydrophobicContact CB-CB 4.45Å; R237-E254 PolarHBondContact N-O 3.05Å; R237-E254 IonicContact NH1-OE2 3.98Å; R237-E254 PolarHBondContact O-N 2.87Å
238	W	88.9	Confident	82.9	Confident	19 Å²	19	65.7 Å²	65.7	7%	0.072	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.3	166.8	-72.2	91.6	0	0	0	109.4	L252 A253 I275 V277 L290 C291	W238-L252 HydrophobicContact CE3-CD1 4.36Å; W238-L252 HydrophobicContact CE3-CG 4.26Å; W238-L252 HydrophobicContact CZ3-CD1 3.97Å; W238-L252 HydrophobicContact CZ3-CD2 4.22Å; W238-L252 HydrophobicContact CZ3-CG 3.75Å; W238-A253 HydrophobicContact CD2-CB 4.12Å; W238-A253 HydrophobicContact CE3-CB 3.98Å; W238-A253 HydrophobicContact CZ3-CB 4.38Å; W238-I275 HydrophobicContact CB-CD1 4.28Å; W238-I275 HydrophobicContact CD2-CD1 3.74Å; W238-I275 HydrophobicContact CD2-CG1 4.06Å; W238-I275 HydrophobicContact CD2-CG2 4.35Å; W238-I275 HydrophobicContact CE3-CD1 4.04Å; W238-I275 HydrophobicContact CE3-CG1 4.14Å; W238-I275 HydrophobicContact CG-CD1 3.84Å; W238-I275 HydrophobicContact CH2-CG1 4.37Å; W238-I275 HydrophobicContact CZ2-CG1 4.28Å; W238-I275 HydrophobicContact CZ2-CG2 3.74Å; W238-I275 HydrophobicContact CZ3-CG1 4.27Å; W238-V277 PolarHBondContact NE1-O 3.37Å; W238-L290 HydrophobicContact CH2-CB 3.93Å; W238-L290 HydrophobicContact CZ2-CB 4.19Å; W238-C291 HydrophobicContact CH2-CB 3.65Å; W238-C291 HydrophobicContact CZ3-CB 4.1Å
239	E	85.6	Confident	83.2	Confident	68 Å²	68	61.1 Å²	61.1	32%	0.318	33%	0.326	S	S	.	.			trans	-92	-27.9	172.8	-74	-70.3	-174.1	0	0	111.9	R237 L251 L252	R237-E239 IonicContact CZ-OE1 3.01Å; R237-E239 IonicContact CZ-OE2 2.69Å; R237-E239 IonicContact NH1-OE1 2.76Å; R237-E239 PolarHBondContact NH1-OE1 3.2Å; R237-E239 IonicContact NH1-OE2 3.11Å; R237-E239 IonicContact NH2-OE1 2.64Å; R237-E239 PolarHBondContact NH2-OE1 2.8Å; R237-E239 IonicContact NH2-OE2 3.81Å; R237-E239 PolarHBondContact NH2-OE2 3.03Å; E239-L251 HydrophobicContact CG-CD2 4.05Å; E239-L251 HydrophobicContact CG-CG 4.23Å; E239-L252 PolarHBondContact N-O 3.1Å
240	K	83.4	Confident	83.8	Confident	22 Å²	22	59.1 Å²	59.1	10%	0.096	31%	0.312	C	S	.	.	S	Bend	trans	-99	132.9	-174.7	-67.7	-69.5	-167.9	163.8	0	114	E244 L246 D250 L251 L252 L272	K240-E244 VanDerWaalsContact CD-CD 3.41Å; K240-E244 HydrophobicContact CD-CG 4.43Å; K240-E244 WeakPolarHBondContact CD-OE1 3.47Å; K240-E244 WeakPolarHBondContact CE-OE1 3.38Å; K240-E244 IonicContact NZ-OE1 3.93Å; K240-E244 PolarHBondContact NZ-OE1 2.88Å; K240-L246 HydrophobicContact CB-CD2 3.84Å; K240-L246 HydrophobicContact CD-CD2 3.63Å; K240-L246 HydrophobicContact CG-CD2 3.55Å; K240-D250 VanDerWaalsContact CE-OD2 3.32Å; K240-D250 WeakPolarHBondContact CE-OD2 3.26Å; K240-D250 IonicContact NZ-OD1 2.81Å; K240-D250 IonicContact NZ-OD2 3.8Å; K240-D250 PolarHBondContact NZ-OD2 3.16Å; K240-L251 WeakPolarHBondContact CG-O 3.47Å; K240-L252 HydrophobicContact CB-CD1 4.05Å; K240-L252 HydrophobicContact CG-CD1 4.16Å; K240-L272 HydrophobicContact CB-CD2 3.83Å; K240-L272 WeakPolarHBondContact O-CD2 3.27Å
241	K	84.6	Confident	84.1	Confident	156 Å²	156	61.8 Å²	61.8	68%	0.678	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-68.5	140.5	175.5	45.9	81.4	179.1	-176.3	0	112.8	G243 E244	K241-G243 PolarHBondContact O-N 2.82Å; K241-E244 PolarHBondContact N-OE2 3.12Å; K241-E244 WeakPolarHBondContact O-CB 3.43Å; K241-E244 PolarHBondContact O-N 3.34Å
242	V	84.9	Confident	84.5	Confident	81 Å²	81	57.1 Å²	57.1	49%	0.491	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	127.1	159.3	176.9	0	0	0	0	108.2	L272 A273 I275	V242-L272 WeakPolarHBondContact CA-O 3.38Å; V242-A273 WeakPolarHBondContact CG1-O 3.49Å; V242-I275 HydrophobicContact CG2-CB 4.27Å; V242-I275 HydrophobicContact CG2-CD1 3.93Å; V242-I275 HydrophobicContact CG2-CG1 3.88Å
243	G	78.1	Confident	84.7	Confident	36 Å²	36	52.6 Å²	52.6	37%	0.371	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-4.9	-172	0	0	0	0	0	115.5	K241 L272	K241-G243 PolarHBondContact O-N 2.82Å; G243-L272 PolarHBondContact N-O 3.35Å
244	E	81.7	Confident	84.8	Confident	73 Å²	73	55.2 Å²	55.2	34%	0.341	29%	0.286	S	S	.	.			trans	-80.2	144.9	179.7	-159.6	-177.4	144.9	0	0	111.8	K240 K241 Y271 L272	K240-E244 VanDerWaalsContact CD-CD 3.41Å; K240-E244 HydrophobicContact CD-CG 4.43Å; K240-E244 WeakPolarHBondContact CD-OE1 3.47Å; K240-E244 WeakPolarHBondContact CE-OE1 3.38Å; K240-E244 IonicContact NZ-OE1 3.93Å; K240-E244 PolarHBondContact NZ-OE1 2.88Å; K241-E244 PolarHBondContact N-OE2 3.12Å; K241-E244 WeakPolarHBondContact O-CB 3.43Å; K241-E244 PolarHBondContact O-N 3.34Å; E244-Y271 WeakPolarHBondContact O-CA 3.23Å; E244-L272 PolarHBondContact O-N 2.87Å
245	K	82.4	Confident	84.8	Confident	94 Å²	94	54.4 Å²	54.4	41%	0.409	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	134.9	167	-171.7	-176.4	177	-166.8	0	109.7	E269 G270 Y271	K245-E269 IonicContact NZ-OE2 2.79Å; K245-E269 PolarHBondContact NZ-OE2 3.41Å; K245-G270 WeakPolarHBondContact CA-O 3.45Å; K245-G270 WeakPolarHBondContact CG-O 3.25Å; K245-Y271 HydrophobicContact CB-CD1 4.2Å; K245-Y271 HydrophobicContact CB-CE1 4.01Å; K245-Y271 HydrophobicContact CG-CE1 4.46Å
246	L	85.1	Confident	84.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	138.9	173.5	-54.4	-179.4	0	0	0	109.8	K240 L252 V266 G270 L272 I293	K240-L246 HydrophobicContact CB-CD2 3.84Å; K240-L246 HydrophobicContact CD-CD2 3.63Å; K240-L246 HydrophobicContact CG-CD2 3.55Å; L246-L252 HydrophobicContact CD1-CD1 4.1Å; L246-L252 HydrophobicContact CD2-CD1 4.2Å; L246-V266 HydrophobicContact CB-CG1 4.01Å; L246-V266 HydrophobicContact CB-CG2 4.12Å; L246-V266 HydrophobicContact CD1-CG2 4.11Å; L246-V266 HydrophobicContact CD2-CG2 4.25Å; L246-V266 HydrophobicContact CG-CG2 4.4Å; L246-G270 PolarHBondContact N-O 3.33Å; L246-G270 PolarHBondContact O-N 3.48Å; L246-L272 HydrophobicContact CD1-CB 4.08Å; L246-L272 HydrophobicContact CD2-CB 4.42Å; L246-L272 HydrophobicContact CG-CB 4.29Å; L246-I293 HydrophobicContact CD1-CD1 3.58Å; L246-I293 HydrophobicContact CD1-CG1 3.86Å
247	S	81.6	Confident	84.7	Confident	47 Å²	47	55.4 Å²	55.4	33%	0.329	29%	0.287	S	S	.	.			trans	-114.4	155.3	172.1	-39.3	0	0	0	0	109.9	G249 D250 V266	S247-G249 PolarHBondContact O-N 3.46Å; S247-D250 PolarHBondContact N-OD2 2.93Å; S247-D250 WeakPolarHBondContact O-CB 3.32Å; S247-D250 PolarHBondContact O-N 2.9Å; S247-V266 WeakPolarHBondContact O-CB 3.43Å; S247-V266 WeakPolarHBondContact O-CG1 3.42Å
248	E	82.8	Confident	84.2	Confident	137 Å²	137	53.8 Å²	53.8	64%	0.64	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	129.3	173.1	-68.2	176.8	-166.9	0	0	110.9	E269	E248-E269 HydrophobicContact CG-CG 4.22Å
249	G	78.9	Confident	83.6	Confident	48 Å²	48	60 Å²	60	50%	0.495	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	1	-175.6	0	0	0	0	0	116	S247 V266	S247-G249 PolarHBondContact O-N 3.46Å; G249-V266 PolarHBondContact N-O 3.23Å
250	D	85.3	Confident	83.2	Confident	46 Å²	46	59.1 Å²	59.1	25%	0.246	32%	0.318	C	S	.	.			trans	-63.9	138.3	168.5	-91.4	-23.3	0	0	0	110.6	K240 S247 L252 E265 V266	K240-D250 VanDerWaalsContact CE-OD2 3.32Å; K240-D250 WeakPolarHBondContact CE-OD2 3.26Å; K240-D250 IonicContact NZ-OD1 2.81Å; K240-D250 IonicContact NZ-OD2 3.8Å; K240-D250 PolarHBondContact NZ-OD2 3.16Å; S247-D250 PolarHBondContact N-OD2 2.93Å; S247-D250 WeakPolarHBondContact O-CB 3.32Å; S247-D250 PolarHBondContact O-N 2.9Å; D250-L252 PolarHBondContact O-N 2.92Å; D250-E265 CarbonylContact O-C 3.53Å; D250-E265 WeakPolarHBondContact O-CA 3.46Å; D250-V266 HydrophobicContact CB-CB 4.32Å; D250-V266 HydrophobicContact CB-CG2 4.04Å; D250-V266 WeakPolarHBondContact O-CG2 3.39Å; D250-V266 PolarHBondContact O-N 3.14Å
251	L	86.3	Confident	83.3	Confident	65 Å²	65	61.2 Å²	61.2	34%	0.34	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	120.3	170.3	180	60.8	0	0	0	110.2	E239 K240 G263	E239-L251 HydrophobicContact CG-CD2 4.05Å; E239-L251 HydrophobicContact CG-CG 4.23Å; K240-L251 WeakPolarHBondContact CG-O 3.47Å; L251-G263 VanDerWaalsContact CD1-CA 3.47Å
252	L	86.3	Confident	83.4	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-50.5	-176.3	-174	60.4	0	0	0	111.9	W238 E239 K240 L246 D250 F264 V266 L272	W238-L252 HydrophobicContact CE3-CD1 4.36Å; W238-L252 HydrophobicContact CE3-CG 4.26Å; W238-L252 HydrophobicContact CZ3-CD1 3.97Å; W238-L252 HydrophobicContact CZ3-CD2 4.22Å; W238-L252 HydrophobicContact CZ3-CG 3.75Å; E239-L252 PolarHBondContact N-O 3.1Å; K240-L252 HydrophobicContact CB-CD1 4.05Å; K240-L252 HydrophobicContact CG-CD1 4.16Å; L246-L252 HydrophobicContact CD1-CD1 4.1Å; L246-L252 HydrophobicContact CD2-CD1 4.2Å; D250-L252 PolarHBondContact O-N 2.92Å; L252-F264 VanDerWaalsContact CB-O 3.28Å; L252-F264 WeakPolarHBondContact CB-O 3.49Å; L252-F264 HydrophobicContact CD2-CD1 4.09Å; L252-F264 HydrophobicContact CD2-CE1 3.95Å; L252-F264 PolarHBondContact N-O 2.94Å; L252-V266 HydrophobicContact CB-CG2 3.91Å; L252-V266 HydrophobicContact CD1-CG2 4.09Å; L252-V266 HydrophobicContact CD2-CG2 4.42Å; L252-V266 HydrophobicContact CG-CG2 4.36Å; L252-L272 HydrophobicContact CD1-CD2 4.29Å
253	A	87	Confident	83.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	153.8	-178.4	0	0	0	0	0	112.5	V235 R237 W238 F264	V235-A253 HydrophobicContact CG1-CB 4.49Å; R237-A253 CarbonylContact O-C 3.53Å; R237-A253 VanDerWaalsContact O-CA 3.3Å; R237-A253 WeakPolarHBondContact O-CA 3.47Å; R237-A253 WeakPolarHBondContact O-CB 3.28Å; W238-A253 HydrophobicContact CD2-CB 4.12Å; W238-A253 HydrophobicContact CE3-CB 3.98Å; W238-A253 HydrophobicContact CZ3-CB 4.38Å; A253-F264 PolarHBondContact N-O 3.41Å; A253-F264 PolarHBondContact O-N 2.64Å
254	E	87.9	Confident	84	Confident	59 Å²	59	53.4 Å²	53.4	28%	0.276	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.2	170.2	-62.2	-177.4	121.6	0	0	109.6	Q236 R237 T261	Q236-E254 HydrophobicContact CB-CB 4.41Å; Q236-E254 PolarHBondContact N-O 3.19Å; R237-E254 HydrophobicContact CB-CB 4.45Å; R237-E254 PolarHBondContact N-O 3.05Å; R237-E254 IonicContact NH1-OE2 3.98Å; R237-E254 PolarHBondContact O-N 2.87Å; E254-T261 HydrophobicContact CB-CG2 4.04Å
255	I	88.7	Confident	84.3	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.6	-176	-54.8	-170.7	0	0	0	110.2	L223 L226 T234 T261 I262 F264 L290	L223-I255 HydrophobicContact CD1-CD1 3.69Å; L223-I255 HydrophobicContact CD1-CG2 4.3Å; L226-I255 HydrophobicContact CD1-CB 3.95Å; L226-I255 HydrophobicContact CD1-CD1 4.1Å; L226-I255 HydrophobicContact CD1-CG1 4.47Å; L226-I255 HydrophobicContact CD1-CG2 4.07Å; T234-I255 CarbonylContact O-C 3.58Å; T234-I255 WeakPolarHBondContact O-CA 3.21Å; I255-T261 WeakPolarHBondContact O-CA 3.17Å; I255-I262 PolarHBondContact N-O 2.83Å; I255-I262 PolarHBondContact O-N 2.87Å; I255-F264 HydrophobicContact CD1-CB 3.75Å; I255-F264 HydrophobicContact CD1-CD1 4.05Å; I255-F264 HydrophobicContact CD1-CG 4.07Å; I255-F264 HydrophobicContact CG1-CB 4.12Å; I255-L290 HydrophobicContact CD1-CD1 4.2Å
256	E	85.2	Confident	84.5	Confident	84 Å²	84	51.5 Å²	51.5	39%	0.393	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	118.2	174.4	177.1	177.7	-168	0	0	110.2	T234 Q236	T234-E256 HydrophobicContact CG2-CB 4.49Å; T234-E256 PolarHBondContact N-O 2.97Å; T234-E256 PolarHBondContact O-N 2.91Å; Q236-E256 HydrophobicContact CG-CB 3.79Å; Q236-E256 VanDerWaalsContact NE2-CD 3.26Å; Q236-E256 PolarHBondContact NE2-OE2 2.95Å
257	T	85.6	Confident	84.3	Confident	16 Å²	16	58.9 Å²	58.9	10%	0.098	32%	0.323	C	S	.	.			trans	-102.6	179.6	178.5	72.4	0	0	0	0	111.1	L226 M230 K259 A260 I262	L226-T257 HydrophobicContact CB-CG2 4.16Å; M230-T257 HydrophobicContact SD-CG2 3.57Å; M230-T257 VanDerWaalsContact SD-CG2 3.57Å; T257-K259 PolarHBondContact O-N 3.05Å; T257-K259 VanDerWaalsContact O-N 3.09Å; T257-K259 PolarHBondContact OG1-N 3.43Å; T257-A260 WeakPolarHBondContact CB-O 3.39Å; T257-A260 PolarHBondContact N-O 2.68Å; T257-A260 PolarHBondContact OG1-N 2.83Å; T257-A260 VanDerWaalsContact OG1-N 3.08Å; T257-A260 PolarHBondContact OG1-O 2.61Å; T257-I262 HydrophobicContact CG2-CD1 3.96Å; T257-I262 HydrophobicContact CG2-CG1 4.27Å
258	D	78.5	Confident	84.1	Confident	75 Å²	75	60.5 Å²	60.5	40%	0.401	33%	0.325	S	S	.	.	S	Bend	trans	-68.2	-2.5	175.5	76.3	-55.4	0	0	0	114.8	S227 T229	S227-D258 PolarHBondContact OG-OD1 3.28Å; S227-D258 VanDerWaalsContact OG-OD1 3.05Å; T229-D258 PolarHBondContact OG1-OD1 3.23Å; T229-D258 PolarHBondContact OG1-OD2 2.98Å
259	K	74.9	Confident	84	Confident	150 Å²	150	59.2 Å²	59.2	65%	0.652	32%	0.319	S	S	*	.	S	Bend	trans	-128.9	-38	-177.2	-61.6	-65.3	179.4	-94.1	0	114.2	T257	T257-K259 PolarHBondContact O-N 3.05Å; T257-K259 VanDerWaalsContact O-N 3.09Å; T257-K259 PolarHBondContact OG1-N 3.43Å
260	A	77.6	Confident	84.3	Confident	49 Å²	49	57.1 Å²	57.1	41%	0.405	30%	0.297	S	S	.	.			trans	-161	159.8	-175.8	0	0	0	0	0	111.9	T257 I262	T257-A260 WeakPolarHBondContact CB-O 3.39Å; T257-A260 PolarHBondContact N-O 2.68Å; T257-A260 PolarHBondContact OG1-N 2.83Å; T257-A260 VanDerWaalsContact OG1-N 3.08Å; T257-A260 PolarHBondContact OG1-O 2.61Å; A260-I262 HydrophobicContact CB-CG1 4.31Å
261	T	84.9	Confident	84.2	Confident	67 Å²	67	57.4 Å²	57.4	41%	0.411	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	126.9	156.8	-53.6	0	0	0	0	108.6	Q236 E254 I255	Q236-T261 PolarHBondContact OE1-OG1 2.82Å; E254-T261 HydrophobicContact CB-CG2 4.04Å; I255-T261 WeakPolarHBondContact O-CA 3.17Å
262	I	88	Confident	84.1	Confident	58 Å²	58	54.3 Å²	54.3	30%	0.297	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.4	-179.7	-60.3	179.3	0	0	0	107.5	L226 I255 T257 A260	L226-I262 HydrophobicContact CB-CD1 4.41Å; I255-I262 PolarHBondContact N-O 2.83Å; I255-I262 PolarHBondContact O-N 2.87Å; T257-I262 HydrophobicContact CG2-CD1 3.96Å; T257-I262 HydrophobicContact CG2-CG1 4.27Å; A260-I262 HydrophobicContact CB-CG1 4.31Å
263	G	86.1	Confident	83.8	Confident	38 Å²	38	54.3 Å²	54.3	39%	0.392	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.1	171	0	0	0	0	0	110.3	L251	L251-G263 VanDerWaalsContact CD1-CA 3.47Å
264	F	88.4	Confident	83.5	Confident	13 Å²	13	56.9 Å²	56.9	6%	0.057	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.8	173.7	179.9	-131.8	0	0	0	109.4	V221 P224 L226 L252 A253 I255 L290	V221-F264 HydrophobicContact CG1-CE1 3.67Å; V221-F264 HydrophobicContact CG1-CZ 3.74Å; P224-F264 HydrophobicContact CG-CD2 4.26Å; P224-F264 HydrophobicContact CG-CE2 3.68Å; P224-F264 HydrophobicContact CG-CZ 4.18Å; L226-F264 HydrophobicContact CD2-CD2 4.26Å; L252-F264 VanDerWaalsContact CB-O 3.28Å; L252-F264 WeakPolarHBondContact CB-O 3.49Å; L252-F264 HydrophobicContact CD2-CD1 4.09Å; L252-F264 HydrophobicContact CD2-CE1 3.95Å; L252-F264 PolarHBondContact N-O 2.94Å; A253-F264 PolarHBondContact N-O 3.41Å; A253-F264 PolarHBondContact O-N 2.64Å; I255-F264 HydrophobicContact CD1-CB 3.75Å; I255-F264 HydrophobicContact CD1-CD1 4.05Å; I255-F264 HydrophobicContact CD1-CG 4.07Å; I255-F264 HydrophobicContact CG1-CB 4.12Å; F264-L290 HydrophobicContact CD1-CD1 4.26Å; F264-L290 HydrophobicContact CE1-CD1 4.02Å
265	E	89.6	Confident	83.5	Confident	119 Å²	119	56 Å²	56	56%	0.556	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	151.8	-173.9	-66.1	169.7	-179.9	0	0	111.9	D250	D250-E265 CarbonylContact O-C 3.53Å; D250-E265 WeakPolarHBondContact O-CA 3.46Å
266	V	86.9	Confident	83.2	Confident	8 Å²	8	57.9 Å²	57.9	5%	0.048	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-71.7	129.9	176.5	174.2	0	0	0	0	110.5	L246 S247 G249 D250 L252 E268	L246-V266 HydrophobicContact CB-CG1 4.01Å; L246-V266 HydrophobicContact CB-CG2 4.12Å; L246-V266 HydrophobicContact CD1-CG2 4.11Å; L246-V266 HydrophobicContact CD2-CG2 4.25Å; L246-V266 HydrophobicContact CG-CG2 4.4Å; S247-V266 WeakPolarHBondContact O-CB 3.43Å; S247-V266 WeakPolarHBondContact O-CG1 3.42Å; G249-V266 PolarHBondContact N-O 3.23Å; D250-V266 HydrophobicContact CB-CB 4.32Å; D250-V266 HydrophobicContact CB-CG2 4.04Å; D250-V266 WeakPolarHBondContact O-CG2 3.39Å; D250-V266 PolarHBondContact O-N 3.14Å; L252-V266 HydrophobicContact CB-CG2 3.91Å; L252-V266 HydrophobicContact CD1-CG2 4.09Å; L252-V266 HydrophobicContact CD2-CG2 4.42Å; L252-V266 HydrophobicContact CG-CG2 4.36Å; V266-E268 WeakPolarHBondContact CG1-O 3.5Å
267	Q	80.9	Confident	83.1	Confident	155 Å²	155	54.6 Å²	54.6	72%	0.724	28%	0.283	S	S	*	.			trans	-96.1	-17.8	-178.3	-65	-174.2	-25.4	0	0	114.8
268	E	76.6	Confident	82.9	Confident	81 Å²	81	57.8 Å²	57.8	38%	0.379	30%	0.304	S	S	.	.	S	Bend	trans	-145.4	145.1	-178.5	-56.1	-176.2	-177.8	0	0	110.5	M219 V266	M219-E268 HydrophobicContact CE-CB 3.9Å; M219-E268 HydrophobicContact CE-CG 4.02Å; M219-E268 WeakPolarHBondContact CE-OE2 3.43Å; V266-E268 WeakPolarHBondContact CG1-O 3.5Å
269	E	80.6	Confident	83.1	Confident	110 Å²	110	60.7 Å²	60.7	51%	0.514	32%	0.315	S	S	.	.			trans	-65.6	145.8	176.5	-67	-154.2	-176.5	0	0	113.3	K245 E248	K245-E269 IonicContact NZ-OE2 2.79Å; K245-E269 PolarHBondContact NZ-OE2 3.41Å; E248-E269 HydrophobicContact CG-CG 4.22Å
270	G	84.6	Confident	83.3	Confident	4 Å²	4	55.7 Å²	55.7	4%	0.041	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-158	172.1	0	0	0	0	0	113.8	K245 L246	K245-G270 WeakPolarHBondContact CA-O 3.45Å; K245-G270 WeakPolarHBondContact CG-O 3.25Å; L246-G270 PolarHBondContact N-O 3.33Å; L246-G270 PolarHBondContact O-N 3.48Å
271	Y	83.5	Confident	83.5	Confident	51 Å²	51	55.5 Å²	55.5	20%	0.2	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.4	175.1	-65.5	-99.9	0	0	0	110.7	E244 K245 A273 I293 V294 E297 I300	E244-Y271 WeakPolarHBondContact O-CA 3.23Å; K245-Y271 HydrophobicContact CB-CD1 4.2Å; K245-Y271 HydrophobicContact CB-CE1 4.01Å; K245-Y271 HydrophobicContact CG-CE1 4.46Å; Y271-A273 PolarHBondContact O-N 3.26Å; Y271-I293 WeakPolarHBondContact O-CA 3.48Å; Y271-V294 PolarHBondContact N-O 2.96Å; Y271-V294 PolarHBondContact O-N 3.27Å; Y271-E297 HydrophobicContact CD1-CB 4.21Å; Y271-E297 HydrophobicContact CD1-CG 4.03Å; Y271-E297 HydrophobicContact CE1-CB 3.82Å; Y271-E297 HydrophobicContact CE1-CG 3.7Å; Y271-E297 WeakPolarHBondContact CE1-OE2 3.46Å; Y271-E297 HydrophobicContact CE2-CB 4.17Å; Y271-E297 PolarHBondContact OH-OE2 3.45Å; Y271-I300 HydrophobicContact CD1-CD1 4Å; Y271-I300 HydrophobicContact CG-CD1 4.1Å
272	L	84.2	Confident	83.3	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	90.7	-179.5	-175.4	52.9	0	0	0	110.9	K240 V242 G243 E244 L246 L252 I275 C291	K240-L272 HydrophobicContact CB-CD2 3.83Å; K240-L272 WeakPolarHBondContact O-CD2 3.27Å; V242-L272 WeakPolarHBondContact CA-O 3.38Å; G243-L272 PolarHBondContact N-O 3.35Å; E244-L272 PolarHBondContact O-N 2.87Å; L246-L272 HydrophobicContact CD1-CB 4.08Å; L246-L272 HydrophobicContact CD2-CB 4.42Å; L246-L272 HydrophobicContact CG-CB 4.29Å; L252-L272 HydrophobicContact CD1-CD2 4.29Å; L272-I275 HydrophobicContact CD2-CD1 4.41Å; L272-I275 HydrophobicContact CD2-CG1 4.25Å; L272-C291 HydrophobicContact CD1-CB 3.63Å
273	A	80.4	Confident	83	Confident	3 Å²	3	61.8 Å²	61.8	3%	0.025	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	-40	-171.9	0	0	0	0	0	113.4	V242 Y271 I292 V294 F303	V242-A273 WeakPolarHBondContact CG1-O 3.49Å; Y271-A273 PolarHBondContact O-N 3.26Å; A273-I292 HydrophobicContact CB-CB 4.36Å; A273-I292 HydrophobicContact CB-CG2 4.15Å; A273-I292 PolarHBondContact N-O 2.82Å; A273-V294 HydrophobicContact CB-CB 4.45Å; A273-V294 HydrophobicContact CB-CG1 3.79Å; A273-V294 HydrophobicContact CB-CG2 3.96Å; A273-F303 HydrophobicContact CB-CB 4.06Å; A273-F303 HydrophobicContact CB-CD2 4.19Å; A273-F303 HydrophobicContact CB-CG 4.24Å
274	K	81.4	Confident	83	Confident	54 Å²	54	60.4 Å²	60.4	24%	0.235	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	137.9	176.3	-174.5	158.5	-179.4	175.1	0	112.5	L276 C291 I292 F303 A304 Y306	K274-L276 HydrophobicContact CD-CD2 4.41Å; K274-L276 HydrophobicContact CG-CD2 4.24Å; K274-C291 CarbonylContact O-C 3.52Å; K274-C291 WeakPolarHBondContact O-CA 3.37Å; K274-C291 VanDerWaalsContact O-CB 3.25Å; K274-C291 WeakPolarHBondContact O-CB 3.25Å; K274-I292 PolarHBondContact N-O 2.92Å; K274-I292 PolarHBondContact O-N 3.08Å; K274-F303 WeakPolarHBondContact CD-O 3.34Å; K274-A304 PolarHBondContact NZ-O 3.28Å; K274-Y306 PolarHBondContact NZ-O 2.93Å
275	I	86.9	Confident	82.9	Confident	41 Å²	41	63.3 Å²	63.3	21%	0.21	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.6	164	-68.1	168.1	0	0	0	108.4	W238 V242 L272 V277	W238-I275 HydrophobicContact CB-CD1 4.28Å; W238-I275 HydrophobicContact CD2-CD1 3.74Å; W238-I275 HydrophobicContact CD2-CG1 4.06Å; W238-I275 HydrophobicContact CD2-CG2 4.35Å; W238-I275 HydrophobicContact CE3-CD1 4.04Å; W238-I275 HydrophobicContact CE3-CG1 4.14Å; W238-I275 HydrophobicContact CG-CD1 3.84Å; W238-I275 HydrophobicContact CH2-CG1 4.37Å; W238-I275 HydrophobicContact CZ2-CG1 4.28Å; W238-I275 HydrophobicContact CZ2-CG2 3.74Å; W238-I275 HydrophobicContact CZ3-CG1 4.27Å; V242-I275 HydrophobicContact CG2-CB 4.27Å; V242-I275 HydrophobicContact CG2-CD1 3.93Å; V242-I275 HydrophobicContact CG2-CG1 3.88Å; L272-I275 HydrophobicContact CD2-CD1 4.41Å; L272-I275 HydrophobicContact CD2-CG1 4.25Å; I275-V277 WeakPolarHBondContact CG2-O 3.28Å
276	L	81.8	Confident	82.7	Confident	39 Å²	39	61 Å²	61	20%	0.204	31%	0.314	C	S	.	.	S	Bend	trans	-100	-34.7	178.9	-59.4	174.3	0	0	0	111.7	K274 P289 L290 I292 Y306 P308	K274-L276 HydrophobicContact CD-CD2 4.41Å; K274-L276 HydrophobicContact CG-CD2 4.24Å; L276-P289 HydrophobicContact CD1-CB 3.92Å; L276-P289 HydrophobicContact CD1-CG 4.27Å; L276-L290 WeakPolarHBondContact CB-O 3.32Å; L276-L290 PolarHBondContact N-O 3.09Å; L276-I292 HydrophobicContact CD1-CD1 4.34Å; L276-I292 HydrophobicContact CD1-CG1 4.03Å; L276-I292 HydrophobicContact CD2-CD1 4.35Å; L276-I292 HydrophobicContact CG-CG1 4.41Å; L276-Y306 HydrophobicContact CD2-CD1 3.94Å; L276-Y306 HydrophobicContact CD2-CE1 4.17Å; L276-P308 HydrophobicContact CD2-CG 4.21Å
277	V	83.5	Confident	82.4	Confident	16 Å²	16	62.6 Å²	62.6	10%	0.097	33%	0.332	C	S	.	.	S	Bend	trans	-105.8	110.8	177.4	177.1	0	0	0	0	109.7	V235 W238 I275 T281 V284 T288 L290	V235-V277 HydrophobicContact CG2-CG1 4.03Å; W238-V277 PolarHBondContact NE1-O 3.37Å; I275-V277 WeakPolarHBondContact CG2-O 3.28Å; V277-T281 HydrophobicContact CG1-CG2 3.93Å; V277-V284 HydrophobicContact CG1-CG2 3.98Å; V277-T288 HydrophobicContact CG2-CG2 4.44Å; V277-L290 HydrophobicContact CB-CD2 4.22Å; V277-L290 HydrophobicContact CG2-CD2 4.1Å; V277-L290 PolarHBondContact N-O 3.08Å
278	P	81.3	Confident	82.7	Confident	83 Å²	83	57.1 Å²	57.1	54%	0.539	31%	0.309	S	S	.	.			trans	-69.6	158.8	-177.4	26.9	-31.7	0	0	0	112.7	T281	P278-T281 WeakPolarHBondContact CD-OG1 3.42Å; P278-T281 WeakPolarHBondContact CG-OG1 3.36Å; P278-T281 WeakPolarHBondContact O-CB 3.23Å; P278-T281 PolarHBondContact O-N 2.95Å; P278-T281 PolarHBondContact O-OG1 3.39Å
279	E	84.3	Confident	83.2	Confident	135 Å²	135	55 Å²	55	63%	0.631	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	145.3	174.8	57.1	-177.2	-164	0	0	112.6	T281	E279-T281 VanDerWaalsContact C-N 3.25Å; E279-T281 PolarHBondContact O-N 3.3Å
280	G	78.9	Confident	83.4	Confident	46 Å²	46	49.8 Å²	49.8	47%	0.474	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	1	-175.2	0	0	0	0	0	115.3	V235 R282	V235-G280 WeakPolarHBondContact O-CA 3.05Å; V235-G280 PolarHBondContact O-N 2.88Å; G280-R282 PolarHBondContact O-N 3.23Å
281	T	81.5	Confident	83.4	Confident	45 Å²	45	49.6 Å²	49.6	28%	0.276	28%	0.276	S	S	.	.			trans	-68.9	124.5	176.1	-54.6	0	0	0	0	110.7	T234 V235 V277 P278 E279 V284	T234-T281 WeakPolarHBondContact CA-O 3.47Å; V235-T281 PolarHBondContact N-O 3.17Å; V277-T281 HydrophobicContact CG1-CG2 3.93Å; P278-T281 WeakPolarHBondContact CD-OG1 3.42Å; P278-T281 WeakPolarHBondContact CG-OG1 3.36Å; P278-T281 WeakPolarHBondContact O-CB 3.23Å; P278-T281 PolarHBondContact O-N 2.95Å; P278-T281 PolarHBondContact O-OG1 3.39Å; E279-T281 VanDerWaalsContact C-N 3.25Å; E279-T281 PolarHBondContact O-N 3.3Å; T281-V284 HydrophobicContact CG2-CG2 3.82Å
282	R	81.2	Confident	83.5	Confident	182 Å²	182	47.1 Å²	47.1	69%	0.687	27%	0.266	S	S	*	.			trans	-101.4	162.2	-177.9	-65.7	179	178.8	153.6	4	111.9	T234 G280 V284	T234-R282 HydrophobicContact CG2-CB 4.43Å; T234-R282 HydrophobicContact CG2-CG 3.71Å; T234-R282 WeakPolarHBondContact OG1-CA 3.47Å; G280-R282 PolarHBondContact O-N 3.23Å; R282-V284 VanDerWaalsContact C-N 3.26Å; R282-V284 PolarHBondContact O-N 2.82Å
283	D	80.6	Confident	83.6	Confident	75 Å²	75	47.6 Å²	47.6	40%	0.401	27%	0.268	S	S	.	.	S	Bend	trans	58.2	32.2	171.2	-52.4	-22.4	0	0	0	113.6	M232 G233 P285 R430	M232-D283 HydrophobicContact SD-CB 4.23Å; G233-D283 PolarHBondContact O-N 2.63Å; D283-P285 WeakPolarHBondContact O-CD 3.15Å; D283-R430 IonicContact OD2-CZ 3.89Å; D283-R430 IonicContact OD2-NH1 2.61Å; D283-R430 PolarHBondContact OD2-NH1 3.31Å
284	V	85.6	Confident	83.7	Confident	8 Å²	8	47.5 Å²	47.5	5%	0.048	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	119.8	-179.7	-175.4	0	0	0	0	110.3	L223 M232 G233 V277 T281 R282 T288 L290	L223-V284 HydrophobicContact CD2-CB 4.16Å; L223-V284 HydrophobicContact CD2-CG1 3.96Å; L223-V284 VanDerWaalsContact CD2-O 3.32Å; L223-V284 WeakPolarHBondContact CD2-O 3.2Å; M232-V284 CarbonylContact C-O 3.53Å; M232-V284 WeakPolarHBondContact CA-O 3.44Å; M232-V284 WeakPolarHBondContact CB-O 3.24Å; G233-V284 PolarHBondContact N-O 3.03Å; G233-V284 WeakPolarHBondContact O-CB 3.48Å; G233-V284 PolarHBondContact O-N 3.49Å; V277-V284 HydrophobicContact CG1-CG2 3.98Å; T281-V284 HydrophobicContact CG2-CG2 3.82Å; R282-V284 VanDerWaalsContact C-N 3.26Å; R282-V284 PolarHBondContact O-N 2.82Å; V284-T288 HydrophobicContact CG1-CG2 4.03Å; V284-L290 HydrophobicContact CG1-CD2 4.27Å
285	P	86.1	Confident	83.7	Confident	75 Å²	75	51.1 Å²	51.1	49%	0.487	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	151.9	-179.2	-21.6	33.7	0	0	0	113.8	D283 T288	D283-P285 WeakPolarHBondContact O-CD 3.15Å; P285-T288 WeakPolarHBondContact CD-OG1 3.22Å; P285-T288 VanDerWaalsContact O-CB 3.29Å; P285-T288 WeakPolarHBondContact O-CB 3.38Å; P285-T288 PolarHBondContact O-N 3.21Å; P285-T288 PolarHBondContact O-OG1 3.22Å
286	L	85.8	Confident	83	Confident	70 Å²	70	54.4 Å²	54.4	37%	0.366	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	145.2	167.4	-63.8	-171.1	0	0	0	111.7	A225 M230 T231 T288	A225-L286 HydrophobicContact CB-CD1 4.06Å; A225-L286 HydrophobicContact CB-CD2 4.36Å; M230-L286 HydrophobicContact CE-CD2 3.51Å; M230-L286 WeakPolarHBondContact O-CD1 3.42Å; T231-L286 PolarHBondContact O-N 3.43Å; L286-T288 PolarHBondContact O-N 2.88Å
287	G	81.8	Confident	82.6	Confident	42 Å²	42	58.6 Å²	58.6	43%	0.433	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	-3	179.9	0	0	0	0	0	114.9	L223	L223-G287 PolarHBondContact O-N 2.95Å
288	T	86.2	Confident	82	Confident	40 Å²	40	61.5 Å²	61.5	25%	0.245	34%	0.343	C	S	.	.			trans	-68.9	132.4	173.4	-52.1	0	0	0	0	110.3	L222 L223 V277 V284 P285 L286 L290	L222-T288 CarbonylContact C-O 3.48Å; L222-T288 WeakPolarHBondContact CA-O 3.36Å; L223-T288 PolarHBondContact N-O 2.95Å; V277-T288 HydrophobicContact CG2-CG2 4.44Å; V284-T288 HydrophobicContact CG1-CG2 4.03Å; P285-T288 WeakPolarHBondContact CD-OG1 3.22Å; P285-T288 VanDerWaalsContact O-CB 3.29Å; P285-T288 WeakPolarHBondContact O-CB 3.38Å; P285-T288 PolarHBondContact O-N 3.21Å; P285-T288 PolarHBondContact O-OG1 3.22Å; L286-T288 PolarHBondContact O-N 2.88Å; T288-L290 PolarHBondContact O-N 2.95Å
289	P	86.8	Confident	81.5	Confident	35 Å²	35	59.5 Å²	59.5	23%	0.227	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	117.8	176.6	29	-34.8	0	0	0	111.3	L222 L276	L222-P289 HydrophobicContact CD2-CB 3.72Å; L276-P289 HydrophobicContact CD1-CB 3.92Å; L276-P289 HydrophobicContact CD1-CG 4.27Å
290	L	85.3	Confident	80.8	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-44.3	-178.7	-62.3	176.7	0	0	0	112	V221 L223 V235 W238 I255 F264 L276 V277 V284 T288	V221-L290 PolarHBondContact O-N 2.91Å; L223-L290 HydrophobicContact CB-CD1 4.09Å; L223-L290 HydrophobicContact CB-CD2 4.15Å; L223-L290 HydrophobicContact CB-CG 4.1Å; L223-L290 HydrophobicContact CD1-CD1 4.02Å; V235-L290 HydrophobicContact CG2-CD2 4.14Å; W238-L290 HydrophobicContact CH2-CB 3.93Å; W238-L290 HydrophobicContact CZ2-CB 4.19Å; I255-L290 HydrophobicContact CD1-CD1 4.2Å; F264-L290 HydrophobicContact CD1-CD1 4.26Å; F264-L290 HydrophobicContact CE1-CD1 4.02Å; L276-L290 WeakPolarHBondContact CB-O 3.32Å; L276-L290 PolarHBondContact N-O 3.09Å; V277-L290 HydrophobicContact CB-CD2 4.22Å; V277-L290 HydrophobicContact CG2-CD2 4.1Å; V277-L290 PolarHBondContact N-O 3.08Å; V284-L290 HydrophobicContact CG1-CD2 4.27Å; T288-L290 PolarHBondContact O-N 2.95Å
291	C	85.1	Confident	80.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	172.5	-179	64	0	0	0	0	112.6	V221 W238 L272 K274	V221-C291 PolarHBondContact N-O 3.25Å; W238-C291 HydrophobicContact CH2-CB 3.65Å; W238-C291 HydrophobicContact CZ3-CB 4.1Å; L272-C291 HydrophobicContact CD1-CB 3.63Å; K274-C291 CarbonylContact O-C 3.52Å; K274-C291 WeakPolarHBondContact O-CA 3.37Å; K274-C291 VanDerWaalsContact O-CB 3.25Å; K274-C291 WeakPolarHBondContact O-CB 3.25Å
292	I	85.5	Confident	79.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.5	177.2	-57.5	178.8	0	0	0	109.3	H218 M219 A273 K274 L276 F303 Y306	H218-I292 HydrophobicContact CB-CG2 3.83Å; M219-I292 WeakPolarHBondContact O-CA 3.3Å; A273-I292 HydrophobicContact CB-CB 4.36Å; A273-I292 HydrophobicContact CB-CG2 4.15Å; A273-I292 PolarHBondContact N-O 2.82Å; K274-I292 PolarHBondContact N-O 2.92Å; K274-I292 PolarHBondContact O-N 3.08Å; L276-I292 HydrophobicContact CD1-CD1 4.34Å; L276-I292 HydrophobicContact CD1-CG1 4.03Å; L276-I292 HydrophobicContact CD2-CD1 4.35Å; L276-I292 HydrophobicContact CG-CG1 4.41Å; I292-F303 HydrophobicContact CD1-CD1 4Å; I292-F303 HydrophobicContact CG2-CD1 4.12Å; I292-F303 HydrophobicContact CG2-CE1 4.31Å; I292-F303 HydrophobicContact CG2-CG 4.48Å; I292-Y306 HydrophobicContact CD1-CD1 3.43Å; I292-Y306 VanDerWaalsContact CD1-CD1 3.43Å; I292-Y306 HydrophobicContact CD1-CD2 3.96Å; I292-Y306 HydrophobicContact CD1-CE1 3.5Å; I292-Y306 VanDerWaalsContact CD1-CE1 3.5Å; I292-Y306 HydrophobicContact CD1-CE2 4.01Å; I292-Y306 HydrophobicContact CD1-CG 3.67Å
293	I	85.6	Confident	79	Confident	9 Å²	9	48 Å²	48	5%	0.046	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.5	173.3	-61.2	177.8	0	0	0	108.9	H218 M219 V221 L246 Y271	H218-I293 WeakPolarHBondContact CA-O 3.27Å; M219-I293 HydrophobicContact CE-CD1 4.31Å; M219-I293 PolarHBondContact N-O 2.79Å; M219-I293 PolarHBondContact O-N 2.82Å; V221-I293 HydrophobicContact CG2-CD1 3.54Å; V221-I293 HydrophobicContact CG2-CG1 3.91Å; L246-I293 HydrophobicContact CD1-CD1 3.58Å; L246-I293 HydrophobicContact CD1-CG1 3.86Å; Y271-I293 WeakPolarHBondContact O-CA 3.48Å
294	V	83.3	Confident	78.2	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.1	173.9	-64.8	0	0	0	0	111	H218 Y271 A273 K296 D299 I300 F303	H218-V294 HydrophobicContact CB-CG1 3.85Å; Y271-V294 PolarHBondContact N-O 2.96Å; Y271-V294 PolarHBondContact O-N 3.27Å; A273-V294 HydrophobicContact CB-CB 4.45Å; A273-V294 HydrophobicContact CB-CG1 3.79Å; A273-V294 HydrophobicContact CB-CG2 3.96Å; V294-K296 VanDerWaalsContact C-N 3.26Å; V294-K296 WeakPolarHBondContact CG2-O 3.38Å; V294-K296 PolarHBondContact O-N 2.85Å; V294-D299 HydrophobicContact CB-CB 4.45Å; V294-I300 HydrophobicContact CG2-CG1 3.81Å; V294-F303 HydrophobicContact CG1-CD2 3.79Å; V294-F303 HydrophobicContact CG1-CE2 3.52Å; V294-F303 HydrophobicContact CG1-CZ 4.25Å
295	E	80.1	Confident	76.8	Confident	130 Å²	130	53.9 Å²	53.9	61%	0.607	32%	0.324	S	S	*	.	S	Bend	trans	-65.2	-27.8	178.4	-63	173.7	-179.4	0	0	113.3
296	K	73.6	Confident	75.9	Confident	109 Å²	109	51.2 Å²	51.2	47%	0.474	31%	0.305	S	S	.	.			trans	-129.4	132.7	-165.2	-66.2	164.2	-166.2	149	0	112.1	V294 A298 D299	V294-K296 VanDerWaalsContact C-N 3.26Å; V294-K296 WeakPolarHBondContact CG2-O 3.38Å; V294-K296 PolarHBondContact O-N 2.85Å; K296-A298 PolarHBondContact O-N 2.76Å; K296-D299 PolarHBondContact O-N 2.8Å; K296-D299 VanDerWaalsContact O-N 3.09Å
297	E	72.3	Confident	74.3	Confident	128 Å²	128	57.6 Å²	57.6	60%	0.598	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-57.6	-33.4	-179.6	-158.4	178.1	137.6	0	0	113.4	Y271 D299 I300	Y271-E297 HydrophobicContact CD1-CB 4.21Å; Y271-E297 HydrophobicContact CD1-CG 4.03Å; Y271-E297 HydrophobicContact CE1-CB 3.82Å; Y271-E297 HydrophobicContact CE1-CG 3.7Å; Y271-E297 WeakPolarHBondContact CE1-OE2 3.46Å; Y271-E297 HydrophobicContact CE2-CB 4.17Å; Y271-E297 PolarHBondContact OH-OE2 3.45Å; E297-D299 VanDerWaalsContact C-N 3.31Å; E297-D299 PolarHBondContact O-N 2.85Å; E297-I300 HydrophobicContact CB-CD1 4.36Å; E297-I300 HydrophobicContact CG-CD1 3.88Å; E297-I300 WeakPolarHBondContact O-CB 3.36Å; E297-I300 VanDerWaalsContact O-CD1 3.3Å; E297-I300 WeakPolarHBondContact O-CD1 3.46Å; E297-I300 VanDerWaalsContact O-CG1 3.31Å; E297-I300 WeakPolarHBondContact O-CG1 3.45Å; E297-I300 PolarHBondContact O-N 2.7Å
298	A	70.4	Confident	73	Confident	77 Å²	77	58.3 Å²	58.3	64%	0.636	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-62.8	-35.8	178.2	0	0	0	0	0	113.2	K296 I300 S301	K296-A298 PolarHBondContact O-N 2.76Å; A298-I300 VanDerWaalsContact C-N 3.32Å; A298-I300 PolarHBondContact O-N 2.97Å; A298-S301 PolarHBondContact O-OG 3.17Å
299	D	71.3	Confident	70.7	Confident	40 Å²	40	62.3 Å²	62.3	21%	0.214	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-78	-16.8	-172.6	-68.7	-47.6	0	0	0	112.8	P216 V294 K296 E297 S301 A302 F303	P216-D299 HydrophobicContact CB-CB 3.84Å; P216-D299 HydrophobicContact CG-CB 3.88Å; P216-D299 VanDerWaalsContact CG-OD1 3.27Å; P216-D299 WeakPolarHBondContact CG-OD1 3.37Å; V294-D299 HydrophobicContact CB-CB 4.45Å; K296-D299 PolarHBondContact O-N 2.8Å; K296-D299 VanDerWaalsContact O-N 3.09Å; E297-D299 VanDerWaalsContact C-N 3.31Å; E297-D299 PolarHBondContact O-N 2.85Å; D299-S301 PolarHBondContact O-N 3.09Å; D299-S301 VanDerWaalsContact O-N 3.14Å; D299-A302 WeakPolarHBondContact O-CB 3.38Å; D299-A302 PolarHBondContact O-N 2.73Å; D299-F303 VanDerWaalsContact O-CD2 3.3Å; D299-F303 WeakPolarHBondContact O-CD2 3.4Å
300	I	70.3	Confident	68.2	Low	29 Å²	29	68.3 Å²	68.3	15%	0.149	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-49.2	-42.3	174.7	-61.5	168.1	0	0	0	111	Y271 V294 E297 A298 A302 F303	Y271-I300 HydrophobicContact CD1-CD1 4Å; Y271-I300 HydrophobicContact CG-CD1 4.1Å; V294-I300 HydrophobicContact CG2-CG1 3.81Å; E297-I300 HydrophobicContact CB-CD1 4.36Å; E297-I300 HydrophobicContact CG-CD1 3.88Å; E297-I300 WeakPolarHBondContact O-CB 3.36Å; E297-I300 VanDerWaalsContact O-CD1 3.3Å; E297-I300 WeakPolarHBondContact O-CD1 3.46Å; E297-I300 VanDerWaalsContact O-CG1 3.31Å; E297-I300 WeakPolarHBondContact O-CG1 3.45Å; E297-I300 PolarHBondContact O-N 2.7Å; A298-I300 VanDerWaalsContact C-N 3.32Å; A298-I300 PolarHBondContact O-N 2.97Å; I300-A302 PolarHBondContact O-N 3.31Å; I300-F303 PolarHBondContact O-N 2.69Å; I300-F303 VanDerWaalsContact O-N 3.12Å
301	S	65.4	Low	65.9	Low	96 Å²	96	74.8 Å²	74.8	67%	0.671	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-60.3	-30.6	-178.7	64.8	0	0	0	0	113.7	A298 D299 F303	A298-S301 PolarHBondContact O-OG 3.17Å; D299-S301 PolarHBondContact O-N 3.09Å; D299-S301 VanDerWaalsContact O-N 3.14Å; S301-F303 VanDerWaalsContact C-N 3.3Å; S301-F303 PolarHBondContact O-N 3.36Å
302	A	71.5	Confident	63.4	Low	41 Å²	41	80.5 Å²	80.5	34%	0.339	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-72.3	-22.7	179.2	0	0	0	0	0	113	Y215 P216 D299 I300	Y215-A302 WeakPolarHBondContact CE1-O 3.37Å; P216-A302 HydrophobicContact CG-CB 4.05Å; D299-A302 WeakPolarHBondContact O-CB 3.38Å; D299-A302 PolarHBondContact O-N 2.73Å; I300-A302 PolarHBondContact O-N 3.31Å
303	F	66.9	Low	60.6	Low	0 Å²	0	87 Å²	87	0%	0	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-94.5	-4	-177.1	-66.9	-85.3	0	0	0	114.2	Y215 P216 H218 A273 K274 I292 V294 D299 I300 S301 D305 Y306	Y215-F303 HydrophobicContact CD1-CD1 4.17Å; Y215-F303 AromaticContact CD1-CE1 3.87Å; Y215-F303 HydrophobicContact CD1-CE1 3.87Å; Y215-F303 HydrophobicContact CD1-CZ 4.24Å; Y215-F303 HydrophobicContact CG-CE1 4.04Å; Y215-F303 HydrophobicContact CG-CZ 4.4Å; P216-F303 HydrophobicContact CB-CE2 4.16Å; P216-F303 HydrophobicContact CB-CZ 4.44Å; P216-F303 HydrophobicContact CG-CE2 4.11Å; H218-F303 HydrophobicContact CB-CE1 3.89Å; H218-F303 HydrophobicContact CB-CE2 4.15Å; H218-F303 HydrophobicContact CB-CZ 3.49Å; H218-F303 VanDerWaalsContact CB-CZ 3.49Å; H218-F303 AromaticContact CD2-CE1 3.81Å; H218-F303 AromaticContact CE1-CE1 3.9Å; H218-F303 AromaticContact CG-CE1 3.5Å; H218-F303 AromaticContact CG-CZ 3.47Å; H218-F303 VanDerWaalsContact CG-CZ 3.47Å; H218-F303 AromaticContact ND1-CE1 3.57Å; H218-F303 AromaticContact ND1-CZ 3.43Å; H218-F303 WeakPolarHBondContact ND1-CZ 3.33Å; A273-F303 HydrophobicContact CB-CB 4.06Å; A273-F303 HydrophobicContact CB-CD2 4.19Å; A273-F303 HydrophobicContact CB-CG 4.24Å; K274-F303 WeakPolarHBondContact CD-O 3.34Å; I292-F303 HydrophobicContact CD1-CD1 4Å; I292-F303 HydrophobicContact CG2-CD1 4.12Å; I292-F303 HydrophobicContact CG2-CE1 4.31Å; I292-F303 HydrophobicContact CG2-CG 4.48Å; V294-F303 HydrophobicContact CG1-CD2 3.79Å; V294-F303 HydrophobicContact CG1-CE2 3.52Å; V294-F303 HydrophobicContact CG1-CZ 4.25Å; D299-F303 VanDerWaalsContact O-CD2 3.3Å; D299-F303 WeakPolarHBondContact O-CD2 3.4Å; I300-F303 PolarHBondContact O-N 2.69Å; I300-F303 VanDerWaalsContact O-N 3.12Å; S301-F303 VanDerWaalsContact C-N 3.3Å; S301-F303 PolarHBondContact O-N 3.36Å; F303-D305 VanDerWaalsContact C-N 3.3Å; F303-D305 PolarHBondContact O-N 3.36Å; F303-Y306 AromaticContact CD1-CD2 3.75Å; F303-Y306 HydrophobicContact CD1-CD2 3.75Å; F303-Y306 HydrophobicContact CD1-CG 4.13Å; F303-Y306 HydrophobicContact CE1-CD2 4.08Å; F303-Y306 WeakPolarHBondContact O-CB 3.38Å; F303-Y306 PolarHBondContact O-N 2.92Å
304	A	62.6	Low	57.8	Low	64 Å²	64	94.9 Å²	94.9	53%	0.529	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-47.2	178	0	0	0	0	0	112.3	K274	K274-A304 PolarHBondContact NZ-O 3.28Å
305	D	57.6	Low	55.2	Low	143 Å²	143	102.8 Å²	102.8	77%	0.765	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	4.4	176.6	-77.8	-50.8	0	0	0	114.4	F303 R307	F303-D305 VanDerWaalsContact C-N 3.3Å; F303-D305 PolarHBondContact O-N 3.36Å; D305-R307 PolarHBondContact O-N 2.97Å; D305-R307 VanDerWaalsContact O-N 3.16Å
306	Y	66.7	Low	52.9	Low	20 Å²	20	102.7 Å²	102.7	8%	0.078	57%	0.566	C	S	.	*			trans	-56.1	124.7	178.2	-179.1	-82.4	0	0	0	110.4	Y215 Q220 K274 L276 I292 F303 P308	Y215-Y306 HydrophobicContact CD1-CD2 4.47Å; Y215-Y306 HydrophobicContact CD2-CD2 4.39Å; Y215-Y306 HydrophobicContact CE1-CD2 4.23Å; Y215-Y306 HydrophobicContact CE2-CD2 4.14Å; Q220-Y306 PolarHBondContact NE2-OH 2.98Å; Q220-Y306 VanDerWaalsContact NE2-OH 3.12Å; K274-Y306 PolarHBondContact NZ-O 2.93Å; L276-Y306 HydrophobicContact CD2-CD1 3.94Å; L276-Y306 HydrophobicContact CD2-CE1 4.17Å; I292-Y306 HydrophobicContact CD1-CD1 3.43Å; I292-Y306 VanDerWaalsContact CD1-CD1 3.43Å; I292-Y306 HydrophobicContact CD1-CD2 3.96Å; I292-Y306 HydrophobicContact CD1-CE1 3.5Å; I292-Y306 VanDerWaalsContact CD1-CE1 3.5Å; I292-Y306 HydrophobicContact CD1-CE2 4.01Å; I292-Y306 HydrophobicContact CD1-CG 3.67Å; F303-Y306 AromaticContact CD1-CD2 3.75Å; F303-Y306 HydrophobicContact CD1-CD2 3.75Å; F303-Y306 HydrophobicContact CD1-CG 4.13Å; F303-Y306 HydrophobicContact CE1-CD2 4.08Å; F303-Y306 WeakPolarHBondContact O-CB 3.38Å; F303-Y306 PolarHBondContact O-N 2.92Å; Y306-P308 HydrophobicContact CE1-CG 4.39Å
307	R	52.7	Low	50.8	Low	203 Å²	203	106.1 Å²	106.1	77%	0.766	58%	0.583	S	S	*	*			trans	-109.9	136.1	167	-62	-176.3	-177.5	-160	-1.6	107.2	D305 T309	D305-R307 PolarHBondContact O-N 2.97Å; D305-R307 VanDerWaalsContact O-N 3.16Å; R307-T309 PolarHBondContact O-N 3Å
308	P	53.3	Low	49.1	Very low	58 Å²	58	103.8 Å²	103.8	38%	0.377	59%	0.586	S	S	.	*			trans	-49.4	128.2	161.7	-23.7	34.3	0	0	0	108.4	L276 Y306 E310	L276-P308 HydrophobicContact CD2-CG 4.21Å; Y306-P308 HydrophobicContact CE1-CG 4.39Å; P308-E310 HydrophobicContact CB-CG 4.49Å; P308-E310 PolarHBondContact O-N 3.48Å
309	T	38.2	Very low	47.7	Very low	124 Å²	124	105.7 Å²	105.7	76%	0.761	59%	0.592	S	S	*	*			trans	-77.8	80.5	174	-58.6	0	0	0	0	107.5	R307 V311	R307-T309 PolarHBondContact O-N 3Å; T309-V311 PolarHBondContact O-N 2.87Å
310	E	35	Very low	46.3	Very low	160 Å²	160	109.2 Å²	109.2	75%	0.748	62%	0.617	S	S	*	*			trans	-62.7	104.4	174.1	-68.4	-176.8	165.8	0	0	109.1	P308 T312	P308-E310 HydrophobicContact CB-CG 4.49Å; P308-E310 PolarHBondContact O-N 3.48Å; E310-T312 PolarHBondContact O-N 3.41Å
311	V	35.7	Very low	44.9	Very low	138 Å²	138	113.9 Å²	113.9	84%	0.836	65%	0.649	S	S	*	*			trans	-78.9	57	170.4	-169	0	0	0	0	109	T309	T309-V311 PolarHBondContact O-N 2.87Å
312	T	33.2	Very low	43.9	Very low	119 Å²	119	115.6 Å²	115.6	73%	0.73	66%	0.656	S	S	*	*			trans	-142.4	64.1	-175.4	-41.7	0	0	0	0	112.2	E310	E310-T312 PolarHBondContact O-N 3.41Å
313	D	27.1	Very low	42.5	Very low	136 Å²	136	118.9 Å²	118.9	73%	0.727	67%	0.674	S	S	*	*			trans	-148.7	74.1	143.5	-146.7	-16.7	0	0	0	113.7	K315	D313-K315 WeakPolarHBondContact OD1-CB 3.31Å; D313-K315 PolarHBondContact OD1-N 2.82Å
314	L	27.2	Very low	41.6	Very low	176 Å²	176	124.5 Å²	124.5	92%	0.921	71%	0.71	S	S	*	*			trans	-107.3	72.6	144.1	-82.9	179.9	0	0	0	108.9
315	K	27.2	Very low	40.5	Very low	167 Å²	167	127.4 Å²	127.4	73%	0.726	72%	0.723	S	S	*	*			trans	-33.1	126.7	163.1	-177.9	173.2	-174.8	169.5	0	112.5	D313 Q317	D313-K315 WeakPolarHBondContact OD1-CB 3.31Å; D313-K315 PolarHBondContact OD1-N 2.82Å; K315-Q317 PolarHBondContact O-N 3.48Å; K315-Q317 VanDerWaalsContact O-N 3.1Å
316	P	32.3	Very low	39.5	Very low	128 Å²	128	127.8 Å²	127.8	83%	0.831	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-55.7	117	-178.8	-28.6	35.7	0	0	0	113
317	Q	29.1	Very low	38.2	Very low	181 Å²	181	131.1 Å²	131.1	85%	0.846	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-85.5	130.4	173.3	-176.1	172.8	-22.3	0	0	109.9	K315	K315-Q317 PolarHBondContact O-N 3.48Å; K315-Q317 VanDerWaalsContact O-N 3.1Å
318	A	37.3	Very low	37.1	Very low	80 Å²	80	128.3 Å²	128.3	66%	0.661	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-61.4	146.6	172.9	0	0	0	0	0	111
319	P	41.3	Very low	36.5	Very low	117 Å²	117	132.4 Å²	132.4	76%	0.76	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-65.9	146.1	-163	24.6	-35.2	0	0	0	114
320	P	41.3	Very low	36.8	Very low	114 Å²	114	131.8 Å²	131.8	74%	0.74	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-68.7	152.8	170.5	30.6	-34.8	0	0	0	111.6
321	P	40.8	Very low	37	Very low	126 Å²	126	129.9 Å²	129.9	82%	0.818	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-80.7	149.2	-170.8	32	-36.4	0	0	0	114.5
322	T	45.1	Very low	37.4	Very low	133 Å²	133	129.7 Å²	129.7	82%	0.816	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-64.8	141.8	172.2	-41.1	0	0	0	0	112.1
323	P	42	Very low	37.5	Very low	109 Å²	109	129.6 Å²	129.6	71%	0.708	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66	153.4	170.3	27.5	-35	0	0	0	112.7
324	P	48.4	Very low	38.5	Very low	119 Å²	119	132.1 Å²	132.1	77%	0.773	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-88.4	147.2	-164.6	33.8	-36.7	0	0	0	115.1
325	P	38.3	Very low	39.6	Very low	124 Å²	124	129.5 Å²	129.5	81%	0.805	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-67.9	161.6	158.7	-19.1	33.3	0	0	0	113.3
326	V	37.8	Very low	40	Very low	151 Å²	151	130.2 Å²	130.2	92%	0.915	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-60.9	144.7	-172.4	-178.8	0	0	0	0	113.8
327	A	38.5	Very low	40.5	Very low	90 Å²	90	128.4 Å²	128.4	74%	0.744	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-83.6	155.4	-179.3	0	0	0	0	0	114.8
328	T	30.8	Very low	41.3	Very low	144 Å²	144	125.6 Å²	125.6	88%	0.883	80%	0.797	S	S	*	*			trans	-120	152.7	154.9	40.4	0	0	0	0	110.4
329	V	39.8	Very low	41.1	Very low	144 Å²	144	128.2 Å²	128.2	87%	0.873	81%	0.805	S	S	*	*			trans	-86.8	159.9	-161.1	-89.7	0	0	0	0	114.9
330	P	44.2	Very low	41.2	Very low	111 Å²	111	128.4 Å²	128.4	72%	0.721	81%	0.807	S	S	*	*			trans	-106.5	165.8	-158.4	40.6	-36.5	0	0	0	115.6
331	P	40.5	Very low	41.1	Very low	120 Å²	120	129.1 Å²	129.1	78%	0.779	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-87	152.7	155.5	34.8	-30.4	0	0	0	112.4
332	T	43	Very low	40.9	Very low	135 Å²	135	127.8 Å²	127.8	83%	0.828	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-71.8	134.5	-171.3	-46.5	0	0	0	0	114.4
333	P	36.5	Very low	40.7	Very low	117 Å²	117	127.3 Å²	127.3	76%	0.76	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-87	141.5	168.5	33.4	-32.3	0	0	0	112.9
334	Q	46.8	Very low	40.4	Very low	188 Å²	188	128.1 Å²	128.1	88%	0.879	82%	0.82	S	S	*	*			trans	-122.8	159.6	162.1	-100	-166.3	-4.6	0	0	110.1
335	P	49.8	Very low	39.8	Very low	121 Å²	121	128.7 Å²	128.7	79%	0.786	82%	0.823	S	S	*	*			trans	-84.2	155.1	-158.1	33.1	-37	0	0	0	114.7
336	L	35.9	Very low	39.6	Very low	182 Å²	182	127.5 Å²	127.5	95%	0.953	82%	0.824	S	S	*	*			trans	-130.9	156.2	173.4	-80.2	171.6	0	0	0	112.4
337	A	42.4	Very low	39.4	Very low	90 Å²	90	126.8 Å²	126.8	74%	0.744	82%	0.82	S	S	*	*			trans	-109.7	170.5	-168.2	0	0	0	0	0	112.6
338	P	45.9	Very low	39.2	Very low	123 Å²	123	128.3 Å²	128.3	80%	0.799	82%	0.823	S	S	*	*			trans	-96.3	150.2	-163.5	36.7	-35	0	0	0	115.6
339	T	33.8	Very low	39.3	Very low	135 Å²	135	126.7 Å²	126.7	83%	0.828	82%	0.824	S	S	*	*			trans	-161.1	168	169.4	42.1	0	0	0	0	109.9
340	P	43.2	Very low	38.8	Very low	121 Å²	121	123.1 Å²	123.1	79%	0.786	82%	0.816	S	S	*	*			cis	-130.9	-179.2	-40	37.6	-21.7	0	0	0	112.8
341	S	39.6	Very low	38.7	Very low	129 Å²	129	124.3 Å²	124.3	90%	0.902	82%	0.823	S	S	*	*			trans	-111.2	154	-177.8	-54.4	0	0	0	0	114.7
342	A	36.3	Very low	38.8	Very low	98 Å²	98	128.5 Å²	128.5	81%	0.81	83%	0.83	S	S	*	*			trans	-163.6	165.8	164.1	0	0	0	0	0	110.8
343	P	41.3	Very low	39.4	Very low	123 Å²	123	125.5 Å²	125.5	80%	0.799	83%	0.825	S	S	*	*			cis	-126.7	176.5	-47	38.3	-24.6	0	0	0	112.6
344	C	34.6	Very low	40.5	Very low	125 Å²	125	130.2 Å²	130.2	85%	0.845	83%	0.828	S	S	*	*			trans	-90.3	147.7	-178	-63.7	0	0	0	0	115
345	P	37.2	Very low	41.6	Very low	131 Å²	131	125 Å²	125	85%	0.851	81%	0.809	S	S	*	*			trans	-82.4	164.8	155.8	-6.3	25.3	0	0	0	112.6
346	A	33.2	Very low	42.7	Very low	99 Å²	99	124.1 Å²	124.1	82%	0.818	79%	0.792	S	S	*	*			trans	-107.8	166.2	-175.3	0	0	0	0	0	114.8
347	T	34.2	Very low	44.9	Very low	136 Å²	136	117.4 Å²	117.4	83%	0.834	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-93.2	137.7	-167.8	-40.5	0	0	0	0	114.4
348	P	35.2	Very low	46.7	Very low	123 Å²	123	114.4 Å²	114.4	80%	0.799	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-94.7	141.5	155.8	1.1	19.1	0	0	0	111.5
349	A	32.7	Very low	48.2	Very low	110 Å²	110	114 Å²	114	91%	0.909	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-101.1	138.1	-177.2	0	0	0	0	0	113.5
350	G	28.6	Very low	50.2	Low	68 Å²	68	112.6 Å²	112.6	70%	0.701	72%	0.717	S	S	*	*			trans	-174.4	140.9	173.7	0	0	0	0	0	111.2
351	P	42.7	Very low	51.9	Low	136 Å²	136	106.8 Å²	106.8	88%	0.883	68%	0.679	S	S	*	*			trans	-86.7	120.1	-161.9	31.7	-34.9	0	0	0	114.4
352	K	42.7	Very low	53.9	Low	209 Å²	209	106.9 Å²	106.9	91%	0.909	66%	0.663	S	S	*	*			trans	-132.4	130.7	151.3	-71.6	-169.1	176.8	-176.9	0	109.2
353	G	54.7	Low	56.2	Low	71 Å²	71	109.1 Å²	109.1	73%	0.732	66%	0.655	S	S	*	*			trans	-65.9	144	-170.8	0	0	0	0	0	113.5	V355	G353-V355 PolarHBondContact O-N 3.02Å; G353-V355 VanDerWaalsContact O-N 3.09Å
354	R	58.9	Low	58	Low	216 Å²	216	104.6 Å²	104.6	82%	0.815	62%	0.624	S	S	*	*			trans	-74	98	178.1	-169	176.8	-169.3	166.4	2.4	109.7	F356	R354-F356 VanDerWaalsContact O-CD2 3.24Å; R354-F356 WeakPolarHBondContact O-CD2 3.42Å; R354-F356 WeakPolarHBondContact O-CE2 3.46Å; R354-F356 PolarHBondContact O-N 3.41Å
355	V	70.5	Confident	60.2	Low	79 Å²	79	98.7 Å²	98.7	48%	0.479	58%	0.584	S	S	.	*			trans	-67.4	117.6	-178.7	-172.2	0	0	0	0	110.3	G353 V357 I384	G353-V355 PolarHBondContact O-N 3.02Å; G353-V355 VanDerWaalsContact O-N 3.09Å; V355-V357 HydrophobicContact CG1-CG2 3.82Å; V355-I384 HydrophobicContact CG1-CD1 3.63Å; V355-I384 HydrophobicContact CG1-CG1 4.36Å
356	F	73.7	Confident	62.3	Low	102 Å²	102	97.9 Å²	97.9	45%	0.447	58%	0.576	S	S	.	*			trans	-84.8	124.4	175.4	-69.5	-86	0	0	0	110.1	R354 R383 I384	R354-F356 VanDerWaalsContact O-CD2 3.24Å; R354-F356 WeakPolarHBondContact O-CD2 3.42Å; R354-F356 WeakPolarHBondContact O-CE2 3.46Å; R354-F356 PolarHBondContact O-N 3.41Å; F356-R383 HydrophobicContact CB-CB 4.2Å; F356-R383 HydrophobicContact CB-CG 4.13Å; F356-R383 CarbonylContact O-C 3.42Å; F356-R383 VanDerWaalsContact O-CA 3.31Å; F356-R383 WeakPolarHBondContact O-CA 3.43Å; F356-I384 PolarHBondContact O-N 2.86Å
357	V	82.4	Confident	64.5	Low	41 Å²	41	99.7 Å²	99.7	25%	0.248	57%	0.568	C	S	.	*	B	Isolated β-bridge	trans	-133.5	135.7	-176.3	-172.2	0	0	0	0	109.5	V355 A361 K362 L372 I384	V355-V357 HydrophobicContact CG1-CG2 3.82Å; V357-A361 HydrophobicContact CG1-CB 4Å; V357-K362 HydrophobicContact CG1-CB 4Å; V357-L372 HydrophobicContact CG1-CD1 4.29Å; V357-L372 HydrophobicContact CG1-CD2 3.9Å; V357-L372 HydrophobicContact CG2-CD1 4.42Å; V357-L372 HydrophobicContact CG2-CD2 4.35Å; V357-I384 HydrophobicContact CB-CB 4.48Å; V357-I384 HydrophobicContact CG1-CB 4.19Å; V357-I384 HydrophobicContact CG2-CB 4.27Å; V357-I384 HydrophobicContact CG2-CD1 4.02Å; V357-I384 HydrophobicContact CG2-CG1 4.38Å
358	S	80.3	Confident	66.5	Low	27 Å²	27	98.5 Å²	98.5	19%	0.189	55%	0.551	C	S	.	*			trans	-72.7	144.1	173.3	58	0	0	0	0	111.4	L360 A361 K362 I384	S358-L360 VanDerWaalsContact C-N 3.26Å; S358-L360 PolarHBondContact O-N 3.03Å; S358-L360 VanDerWaalsContact O-N 3.15Å; S358-A361 WeakPolarHBondContact O-CB 3.47Å; S358-A361 PolarHBondContact O-N 3.19Å; S358-A361 WeakPolarHBondContact OG-CB 3.44Å; S358-K362 PolarHBondContact O-N 3.47Å; S358-I384 PolarHBondContact N-O 3.49Å; S358-I384 PolarHBondContact OG-O 3.26Å
359	P	76.9	Confident	68.4	Low	114 Å²	114	96.1 Å²	96.1	74%	0.74	55%	0.549	S	S	*	.	H	α-helix	trans	-58.1	-34.6	-172.7	-27.8	35.7	0	0	0	114.6	K362 K363	P359-K362 PolarHBondContact O-N 3.42Å; P359-K363 PolarHBondContact O-N 2.89Å
360	L	75.4	Confident	70.7	Confident	106 Å²	106	92.3 Å²	92.3	56%	0.555	51%	0.513	S	S	*	.	H	α-helix	trans	-75.6	-34.4	178.3	-168.3	143.3	0	0	0	112.2	S358 K363 L364 K386	S358-L360 VanDerWaalsContact C-N 3.26Å; S358-L360 PolarHBondContact O-N 3.03Å; S358-L360 VanDerWaalsContact O-N 3.15Å; L360-K363 PolarHBondContact O-N 3.48Å; L360-L364 HydrophobicContact CD2-CD1 3.69Å; L360-L364 HydrophobicContact CD2-CG 4.46Å; L360-L364 PolarHBondContact O-N 3.34Å; L360-K386 HydrophobicContact CD2-CB 4.1Å; L360-K386 HydrophobicContact CD2-CD 3.87Å; L360-K386 HydrophobicContact CD2-CG 4.38Å
361	A	79.8	Confident	73.2	Confident	0 Å²	0	92.5 Å²	92.5	0%	0	50%	0.498	C	S	.	.	H	α-helix	trans	-62.6	-43.7	169.6	0	0	0	0	0	111.3	V357 S358 K363 L364 A365 I384 I389	V357-A361 HydrophobicContact CG1-CB 4Å; S358-A361 WeakPolarHBondContact O-CB 3.47Å; S358-A361 PolarHBondContact O-N 3.19Å; S358-A361 WeakPolarHBondContact OG-CB 3.44Å; A361-K363 VanDerWaalsContact C-N 3.26Å; A361-K363 PolarHBondContact O-N 3.4Å; A361-L364 PolarHBondContact O-N 3.45Å; A361-A365 PolarHBondContact O-N 2.76Å; A361-I384 HydrophobicContact CB-CG2 4.48Å; A361-I389 HydrophobicContact CB-CD1 3.56Å; A361-I389 WeakPolarHBondContact O-CD1 3.38Å
362	K	81.9	Confident	74.8	Confident	130 Å²	130	87.7 Å²	87.7	57%	0.565	47%	0.465	S	S	*	.	H	α-helix	trans	-58.8	-35.1	178.7	-172.2	174.7	-179.9	-178	0	113	V357 S358 P359 V366 L372	V357-K362 HydrophobicContact CG1-CB 4Å; S358-K362 PolarHBondContact O-N 3.47Å; P359-K362 PolarHBondContact O-N 3.42Å; K362-V366 WeakPolarHBondContact O-CG2 3.41Å; K362-V366 PolarHBondContact O-N 2.99Å; K362-L372 HydrophobicContact CG-CD1 4.1Å
363	K	82.9	Confident	76.5	Confident	145 Å²	145	82.8 Å²	82.8	63%	0.63	45%	0.453	S	S	*	.	H	α-helix	trans	-68	-51.9	173.6	-71.4	-168.2	173.4	-167.8	0	112	P359 L360 A361 A365 V366 E367	P359-K363 PolarHBondContact O-N 2.89Å; L360-K363 PolarHBondContact O-N 3.48Å; A361-K363 VanDerWaalsContact C-N 3.26Å; A361-K363 PolarHBondContact O-N 3.4Å; K363-A365 VanDerWaalsContact C-N 3.26Å; K363-A365 PolarHBondContact O-N 2.82Å; K363-V366 PolarHBondContact O-N 3.32Å; K363-E367 WeakPolarHBondContact O-CG 3.49Å; K363-E367 PolarHBondContact O-N 2.89Å
364	L	80.4	Confident	77.5	Confident	28 Å²	28	85.5 Å²	85.5	15%	0.147	45%	0.446	C	S	.	.	H	α-helix	trans	-61.2	-31.6	-179.2	-68.4	170.9	0	0	0	113.4	L360 A361 K368 K386 I389	L360-L364 HydrophobicContact CD2-CD1 3.69Å; L360-L364 HydrophobicContact CD2-CG 4.46Å; L360-L364 PolarHBondContact O-N 3.34Å; A361-L364 PolarHBondContact O-N 3.45Å; L364-K368 VanDerWaalsContact O-CB 3.31Å; L364-K368 WeakPolarHBondContact O-CB 3.14Å; L364-K368 WeakPolarHBondContact O-CG 3.26Å; L364-K368 PolarHBondContact O-N 3.05Å; L364-K386 HydrophobicContact CD1-CB 4.2Å; L364-K386 HydrophobicContact CD1-CD 3.66Å; L364-K386 HydrophobicContact CD1-CG 3.6Å; L364-I389 HydrophobicContact CB-CG2 4.43Å
365	A	80.3	Confident	78.4	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.008	41%	0.41	C	S	.	.	H	α-helix	trans	-64.1	-44.4	172.2	0	0	0	0	0	112.3	A361 K363 K368 G369 I370 L372 I389	A361-A365 PolarHBondContact O-N 2.76Å; K363-A365 VanDerWaalsContact C-N 3.26Å; K363-A365 PolarHBondContact O-N 2.82Å; A365-K368 CarbonylContact O-C 3.55Å; A365-K368 PolarHBondContact O-N 2.94Å; A365-G369 PolarHBondContact O-N 3.08Å; A365-I370 PolarHBondContact O-N 3.15Å; A365-L372 HydrophobicContact CB-CD1 4.14Å; A365-L372 HydrophobicContact CB-CD2 3.56Å; A365-L372 HydrophobicContact CB-CG 3.71Å; A365-I389 HydrophobicContact CB-CD1 3.9Å
366	V	81.1	Confident	78.8	Confident	114 Å²	114	80.9 Å²	80.9	69%	0.691	43%	0.426	S	S	*	.	H	α-helix	trans	-67.2	-44.2	177.8	174	0	0	0	0	110.7	K362 K363 K368 G369	K362-V366 WeakPolarHBondContact O-CG2 3.41Å; K362-V366 PolarHBondContact O-N 2.99Å; K363-V366 PolarHBondContact O-N 3.32Å; V366-K368 PolarHBondContact O-N 3.12Å; V366-G369 PolarHBondContact O-N 3.44Å
367	E	78.4	Confident	79.1	Confident	138 Å²	138	76.8 Å²	76.8	65%	0.645	41%	0.413	S	S	*	.	H	α-helix	trans	-63	-26.3	177.4	-70.1	161.9	-159.6	0	0	113.1	K363	K363-E367 WeakPolarHBondContact O-CG 3.49Å; K363-E367 PolarHBondContact O-N 2.89Å
368	K	78.1	Confident	78.9	Confident	110 Å²	110	80.4 Å²	80.4	48%	0.478	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	0.6	177.2	-68.3	-179.1	168.9	-175	0	114.6	L364 A365 V366 I370 I389 D390	L364-K368 VanDerWaalsContact O-CB 3.31Å; L364-K368 WeakPolarHBondContact O-CB 3.14Å; L364-K368 WeakPolarHBondContact O-CG 3.26Å; L364-K368 PolarHBondContact O-N 3.05Å; A365-K368 CarbonylContact O-C 3.55Å; A365-K368 PolarHBondContact O-N 2.94Å; V366-K368 PolarHBondContact O-N 3.12Å; K368-I370 VanDerWaalsContact C-N 3.29Å; K368-I370 HydrophobicContact CB-CD1 3.74Å; K368-I370 HydrophobicContact CB-CG1 4.02Å; K368-I370 HydrophobicContact CD-CD1 4.19Å; K368-I370 PolarHBondContact O-N 3.48Å; K368-I389 HydrophobicContact CD-CG2 4.39Å; K368-D390 IonicContact NZ-OD1 3.51Å; K368-D390 PolarHBondContact NZ-OD1 2.82Å
369	G	74.6	Confident	78.8	Confident	74 Å²	74	79.8 Å²	79.8	76%	0.763	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	24.4	-177.4	0	0	0	0	0	115.3	A365 V366	A365-G369 PolarHBondContact O-N 3.08Å; V366-G369 PolarHBondContact O-N 3.44Å
370	I	80.6	Confident	78.3	Confident	29 Å²	29	79.5 Å²	79.5	15%	0.149	43%	0.431	C	S	.	.			trans	-92.4	127.2	-174.7	-66.2	167.7	0	0	0	110.9	A365 K368 L372 V375 I389 F392	A365-I370 PolarHBondContact O-N 3.15Å; K368-I370 VanDerWaalsContact C-N 3.29Å; K368-I370 HydrophobicContact CB-CD1 3.74Å; K368-I370 HydrophobicContact CB-CG1 4.02Å; K368-I370 HydrophobicContact CD-CD1 4.19Å; K368-I370 PolarHBondContact O-N 3.48Å; I370-L372 PolarHBondContact O-N 2.9Å; I370-V375 HydrophobicContact CG2-CG2 3.44Å; I370-V375 VanDerWaalsContact CG2-CG2 3.44Å; I370-I389 HydrophobicContact CD1-CG2 3.88Å; I370-F392 HydrophobicContact CD1-CD1 4.17Å; I370-F392 HydrophobicContact CG1-CD1 4.23Å; I370-F392 HydrophobicContact CG2-CD1 3.59Å; I370-F392 HydrophobicContact CG2-CE1 3.86Å; I370-F392 HydrophobicContact CG2-CG 4.28Å
371	D	81.3	Confident	77.7	Confident	73 Å²	73	80.7 Å²	80.7	39%	0.39	44%	0.438	S	S	.	.			trans	-72.7	112.6	174.7	179.4	-1.1	0	0	0	111.5	T373 Q374	D371-T373 PolarHBondContact O-N 3.24Å; D371-T373 VanDerWaalsContact O-N 3.09Å; D371-T373 WeakPolarHBondContact OD1-CB 3.4Å; D371-T373 WeakPolarHBondContact OD1-CG2 3.34Å; D371-T373 PolarHBondContact OD1-N 3.13Å; D371-T373 PolarHBondContact OD1-OG1 3.37Å; D371-T373 PolarHBondContact OD2-OG1 2.84Å; D371-Q374 HydrophobicContact CB-CG 4.13Å; D371-Q374 PolarHBondContact O-N 3.48Å; D371-Q374 PolarHBondContact OD2-NE2 2.77Å
372	L	76.1	Confident	77.2	Confident	35 Å²	35	83 Å²	83	18%	0.183	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-13.1	178.9	-71.7	167.3	0	0	0	114.4	V357 K362 A365 I370 Q374 I384 I389	V357-L372 HydrophobicContact CG1-CD1 4.29Å; V357-L372 HydrophobicContact CG1-CD2 3.9Å; V357-L372 HydrophobicContact CG2-CD1 4.42Å; V357-L372 HydrophobicContact CG2-CD2 4.35Å; K362-L372 HydrophobicContact CG-CD1 4.1Å; A365-L372 HydrophobicContact CB-CD1 4.14Å; A365-L372 HydrophobicContact CB-CD2 3.56Å; A365-L372 HydrophobicContact CB-CG 3.71Å; I370-L372 PolarHBondContact O-N 2.9Å; L372-Q374 VanDerWaalsContact C-N 3.33Å; L372-I384 HydrophobicContact CD2-CD1 4.24Å; L372-I384 HydrophobicContact CD2-CG2 4.35Å; L372-I384 VanDerWaalsContact O-CD1 3.29Å; L372-I384 WeakPolarHBondContact O-CD1 3.28Å; L372-I389 HydrophobicContact CD2-CD1 4.04Å
373	T	77.5	Confident	77.2	Confident	106 Å²	106	81.7 Å²	81.7	65%	0.65	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-16.2	173.6	70.1	0	0	0	0	113.3	D371	D371-T373 PolarHBondContact O-N 3.24Å; D371-T373 VanDerWaalsContact O-N 3.09Å; D371-T373 WeakPolarHBondContact OD1-CB 3.4Å; D371-T373 WeakPolarHBondContact OD1-CG2 3.34Å; D371-T373 PolarHBondContact OD1-N 3.13Å; D371-T373 PolarHBondContact OD1-OG1 3.37Å; D371-T373 PolarHBondContact OD2-OG1 2.84Å
374	Q	75.9	Confident	77.1	Confident	127 Å²	127	74.8 Å²	74.8	59%	0.593	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-19.1	-177.7	-55.7	179.8	32.6	0	0	112.7	D371 L372 F392	D371-Q374 HydrophobicContact CB-CG 4.13Å; D371-Q374 PolarHBondContact O-N 3.48Å; D371-Q374 PolarHBondContact OD2-NE2 2.77Å; L372-Q374 VanDerWaalsContact C-N 3.33Å; Q374-F392 HydrophobicContact CB-CE2 4.39Å; Q374-F392 HydrophobicContact CB-CZ 3.99Å
375	V	77.6	Confident	77.3	Confident	9 Å²	9	75.4 Å²	75.4	6%	0.055	43%	0.428	C	S	.	.	S	Bend	trans	-84.2	117.5	178	-174.5	0	0	0	0	110.2	I370 G377 I384 D388 I389 F392	I370-V375 HydrophobicContact CG2-CG2 3.44Å; I370-V375 VanDerWaalsContact CG2-CG2 3.44Å; V375-G377 PolarHBondContact O-N 2.79Å; V375-I384 HydrophobicContact CB-CD1 4.19Å; V375-I384 HydrophobicContact CG1-CG2 3.94Å; V375-I384 WeakPolarHBondContact O-CD1 3.28Å; V375-D388 HydrophobicContact CG1-CB 3.95Å; V375-I389 HydrophobicContact CG1-CG1 4.31Å; V375-F392 HydrophobicContact CB-CD2 4.32Å; V375-F392 HydrophobicContact CG1-CD2 4.44Å; V375-F392 HydrophobicContact CG2-CB 4.25Å; V375-F392 HydrophobicContact CG2-CD1 4.19Å; V375-F392 HydrophobicContact CG2-CD2 3.76Å; V375-F392 HydrophobicContact CG2-CE1 4.48Å; V375-F392 HydrophobicContact CG2-CE2 4.08Å; V375-F392 HydrophobicContact CG2-CG 3.81Å; V375-F392 HydrophobicContact CG2-CZ 4.42Å
376	K	79.4	Confident	77.4	Confident	190 Å²	190	80.3 Å²	80.3	83%	0.826	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-78.4	119	173.6	-170.3	176.4	-179	-179.2	0	109.9
377	G	80.1	Confident	77.4	Confident	16 Å²	16	82.8 Å²	82.8	17%	0.165	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-77.3	135.5	-179.6	0	0	0	0	0	113.4	V375	V375-G377 PolarHBondContact O-N 2.79Å
378	T	78.6	Confident	77.4	Confident	117 Å²	117	77.1 Å²	77.1	72%	0.718	43%	0.425	S	S	*	.			trans	-108.6	3.5	-177.6	-31.8	0	0	0	0	112.9	D388	T378-D388 WeakPolarHBondContact CB-OD1 3.34Å; T378-D388 PolarHBondContact N-OD1 3.28Å; T378-D388 PolarHBondContact N-OD2 2.89Å; T378-D388 VanDerWaalsContact N-OD2 3.09Å; T378-D388 PolarHBondContact OG1-OD1 3.21Å
379	G	77.7	Confident	77.5	Confident	13 Å²	13	72 Å²	72	13%	0.134	40%	0.402	C	S	.	.	S	Bend	trans	-78.6	170.2	173.4	0	0	0	0	0	113.9	G382 R383	G379-G382 WeakPolarHBondContact O-CA 3.22Å; G379-G382 PolarHBondContact O-N 3.41Å; G379-R383 WeakPolarHBondContact CA-O 3.46Å; G379-R383 PolarHBondContact N-O 2.85Å; G379-R383 PolarHBondContact O-N 2.85Å
380	P	66.3	Low	77.7	Confident	108 Å²	108	71.8 Å²	71.8	70%	0.701	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-55.2	145	173.7	24.1	-33.8	0	0	0	111.3	G382 R383	P380-G382 PolarHBondContact O-N 3.29Å; P380-R383 WeakPolarHBondContact O-CB 3.35Å; P380-R383 PolarHBondContact O-N 3.24Å
381	D	63.1	Low	77.3	Confident	132 Å²	132	74.9 Å²	74.9	71%	0.706	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	56.5	27.8	-169.7	-46.3	-42.8	0	0	0	114.4	R383	D381-R383 VanDerWaalsContact C-N 3.28Å; D381-R383 PolarHBondContact O-N 2.81Å
382	G	69.9	Low	76.9	Confident	48 Å²	48	73.9 Å²	73.9	50%	0.495	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	70.5	21.8	-179.3	0	0	0	0	0	113.8	G379 P380	G379-G382 WeakPolarHBondContact O-CA 3.22Å; G379-G382 PolarHBondContact O-N 3.41Å; P380-G382 PolarHBondContact O-N 3.29Å
383	R	81.4	Confident	76.5	Confident	102 Å²	102	78.1 Å²	78.1	39%	0.385	43%	0.428	S	S	.	.			trans	-75	131.5	-170.7	-169.8	177.3	-53.2	-160.3	3.9	112.3	F356 G379 P380 D381 T385	F356-R383 HydrophobicContact CB-CB 4.2Å; F356-R383 HydrophobicContact CB-CG 4.13Å; F356-R383 CarbonylContact O-C 3.42Å; F356-R383 VanDerWaalsContact O-CA 3.31Å; F356-R383 WeakPolarHBondContact O-CA 3.43Å; G379-R383 WeakPolarHBondContact CA-O 3.46Å; G379-R383 PolarHBondContact N-O 2.85Å; G379-R383 PolarHBondContact O-N 2.85Å; P380-R383 WeakPolarHBondContact O-CB 3.35Å; P380-R383 PolarHBondContact O-N 3.24Å; D381-R383 VanDerWaalsContact C-N 3.28Å; D381-R383 PolarHBondContact O-N 2.81Å; R383-T385 PolarHBondContact O-N 2.81Å
384	I	81.1	Confident	75.6	Confident	1 Å²	1	77.4 Å²	77.4	1%	0.005	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-70.8	122.3	174.8	-54.6	177	0	0	0	110.2	V355 F356 V357 S358 A361 L372 V375 D388 I389	V355-I384 HydrophobicContact CG1-CD1 3.63Å; V355-I384 HydrophobicContact CG1-CG1 4.36Å; F356-I384 PolarHBondContact O-N 2.86Å; V357-I384 HydrophobicContact CB-CB 4.48Å; V357-I384 HydrophobicContact CG1-CB 4.19Å; V357-I384 HydrophobicContact CG2-CB 4.27Å; V357-I384 HydrophobicContact CG2-CD1 4.02Å; V357-I384 HydrophobicContact CG2-CG1 4.38Å; S358-I384 PolarHBondContact N-O 3.49Å; S358-I384 PolarHBondContact OG-O 3.26Å; A361-I384 HydrophobicContact CB-CG2 4.48Å; L372-I384 HydrophobicContact CD2-CD1 4.24Å; L372-I384 HydrophobicContact CD2-CG2 4.35Å; L372-I384 VanDerWaalsContact O-CD1 3.29Å; L372-I384 WeakPolarHBondContact O-CD1 3.28Å; V375-I384 HydrophobicContact CB-CD1 4.19Å; V375-I384 HydrophobicContact CG1-CG2 3.94Å; V375-I384 WeakPolarHBondContact O-CD1 3.28Å; I384-D388 HydrophobicContact CG2-CB 4.17Å; I384-I389 HydrophobicContact CG2-CD1 4.03Å; I384-I389 HydrophobicContact CG2-CG1 3.92Å
385	T	84.9	Confident	74.3	Confident	40 Å²	40	77 Å²	77	25%	0.245	44%	0.436	C	S	.	.			trans	-107	171.8	-179.2	72.6	0	0	0	0	111.5	R383 K387 D388	R383-T385 PolarHBondContact O-N 2.81Å; T385-K387 VanDerWaalsContact C-N 3.29Å; T385-K387 PolarHBondContact O-N 2.95Å; T385-D388 WeakPolarHBondContact CB-OD2 3.33Å; T385-D388 PolarHBondContact N-OD2 3.21Å; T385-D388 PolarHBondContact O-N 2.96Å; T385-D388 VanDerWaalsContact OG1-CG 3.25Å; T385-D388 PolarHBondContact OG1-OD2 2.85Å
386	K	81.7	Confident	72.5	Confident	105 Å²	105	86 Å²	86	46%	0.457	47%	0.474	S	S	.	.	H	α-helix	trans	-55	-44.4	174.2	170.8	167.6	-177.2	173.8	0	112.1	L360 L364 D388 I389 D390	L360-K386 HydrophobicContact CD2-CB 4.1Å; L360-K386 HydrophobicContact CD2-CD 3.87Å; L360-K386 HydrophobicContact CD2-CG 4.38Å; L364-K386 HydrophobicContact CD1-CB 4.2Å; L364-K386 HydrophobicContact CD1-CD 3.66Å; L364-K386 HydrophobicContact CD1-CG 3.6Å; K386-D388 VanDerWaalsContact C-N 3.29Å; K386-D388 PolarHBondContact O-N 3.21Å; K386-I389 PolarHBondContact O-N 2.81Å; K386-D390 WeakPolarHBondContact CE-OD2 3.32Å; K386-D390 WeakPolarHBondContact CG-OD2 3.45Å; K386-D390 IonicContact NZ-OD2 3.35Å; K386-D390 PolarHBondContact O-N 2.93Å
387	K	81.1	Confident	70.6	Confident	165 Å²	165	81.3 Å²	81.3	72%	0.717	47%	0.471	S	S	*	.	H	α-helix	trans	-60.2	-40.2	-177.9	-69.4	-173.4	175.7	-175.3	0	111.8	T385 I389 D390 S391	T385-K387 VanDerWaalsContact C-N 3.29Å; T385-K387 PolarHBondContact O-N 2.95Å; K387-I389 VanDerWaalsContact C-N 3.27Å; K387-I389 PolarHBondContact O-N 2.88Å; K387-D390 PolarHBondContact O-N 3.28Å; K387-S391 VanDerWaalsContact O-CB 3.28Å; K387-S391 WeakPolarHBondContact O-CB 3.39Å; K387-S391 PolarHBondContact O-N 3.28Å; K387-S391 PolarHBondContact O-OG 3.15Å; K387-S391 VanDerWaalsContact O-OG 3.08Å
388	D	78.7	Confident	68.6	Low	19 Å²	19	84.6 Å²	84.6	10%	0.102	50%	0.496	C	S	.	.	H	α-helix	trans	-63.8	-33.3	-177.9	-52	-42.8	0	0	0	112.1	V375 T378 I384 T385 K386 F392	V375-D388 HydrophobicContact CG1-CB 3.95Å; T378-D388 WeakPolarHBondContact CB-OD1 3.34Å; T378-D388 PolarHBondContact N-OD1 3.28Å; T378-D388 PolarHBondContact N-OD2 2.89Å; T378-D388 VanDerWaalsContact N-OD2 3.09Å; T378-D388 PolarHBondContact OG1-OD1 3.21Å; I384-D388 HydrophobicContact CG2-CB 4.17Å; T385-D388 WeakPolarHBondContact CB-OD2 3.33Å; T385-D388 PolarHBondContact N-OD2 3.21Å; T385-D388 PolarHBondContact O-N 2.96Å; T385-D388 VanDerWaalsContact OG1-CG 3.25Å; T385-D388 PolarHBondContact OG1-OD2 2.85Å; K386-D388 VanDerWaalsContact C-N 3.29Å; K386-D388 PolarHBondContact O-N 3.21Å; D388-F392 WeakPolarHBondContact O-CB 3.45Å; D388-F392 PolarHBondContact O-N 3.13Å
389	I	79.7	Confident	66.9	Low	2 Å²	2	85.2 Å²	85.2	1%	0.01	50%	0.502	C	S	.	.	H	α-helix	trans	-83.5	-40.1	176.9	-64.6	166.7	0	0	0	111.5	A361 L364 A365 K368 I370 L372 V375 I384 K386 K387 S391 F392	A361-I389 HydrophobicContact CB-CD1 3.56Å; A361-I389 WeakPolarHBondContact O-CD1 3.38Å; L364-I389 HydrophobicContact CB-CG2 4.43Å; A365-I389 HydrophobicContact CB-CD1 3.9Å; K368-I389 HydrophobicContact CD-CG2 4.39Å; I370-I389 HydrophobicContact CD1-CG2 3.88Å; L372-I389 HydrophobicContact CD2-CD1 4.04Å; V375-I389 HydrophobicContact CG1-CG1 4.31Å; I384-I389 HydrophobicContact CG2-CD1 4.03Å; I384-I389 HydrophobicContact CG2-CG1 3.92Å; K386-I389 PolarHBondContact O-N 2.81Å; K387-I389 VanDerWaalsContact C-N 3.27Å; K387-I389 PolarHBondContact O-N 2.88Å; I389-S391 PolarHBondContact O-N 3.45Å; I389-F392 PolarHBondContact O-N 3.21Å
390	D	79	Confident	64.9	Low	71 Å²	71	88.8 Å²	88.8	38%	0.38	53%	0.531	S	S	.	.	H	α-helix	trans	-67.3	-22.8	176	-73.7	-27.1	0	0	0	112.6	K368 K386 K387	K368-D390 IonicContact NZ-OD1 3.51Å; K368-D390 PolarHBondContact NZ-OD1 2.82Å; K386-D390 WeakPolarHBondContact CE-OD2 3.32Å; K386-D390 WeakPolarHBondContact CG-OD2 3.45Å; K386-D390 IonicContact NZ-OD2 3.35Å; K386-D390 PolarHBondContact O-N 2.93Å; K387-D390 PolarHBondContact O-N 3.28Å
391	S	72.8	Confident	63.9	Low	94 Å²	94	89.5 Å²	89.5	66%	0.657	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.5	172.6	-57.9	0	0	0	0	114.3	K387 I389 V393	K387-S391 VanDerWaalsContact O-CB 3.28Å; K387-S391 WeakPolarHBondContact O-CB 3.39Å; K387-S391 PolarHBondContact O-N 3.28Å; K387-S391 PolarHBondContact O-OG 3.15Å; K387-S391 VanDerWaalsContact O-OG 3.08Å; I389-S391 PolarHBondContact O-N 3.45Å; S391-V393 PolarHBondContact O-N 3.36Å; S391-V393 VanDerWaalsContact O-N 3.14Å
392	F	72.3	Confident	63.1	Low	52 Å²	52	88.4 Å²	88.4	23%	0.228	55%	0.545	C	S	.	.			trans	-80.2	96	178.6	-173.7	-98.9	0	0	0	110.9	I370 Q374 V375 D388 I389 P394	I370-F392 HydrophobicContact CD1-CD1 4.17Å; I370-F392 HydrophobicContact CG1-CD1 4.23Å; I370-F392 HydrophobicContact CG2-CD1 3.59Å; I370-F392 HydrophobicContact CG2-CE1 3.86Å; I370-F392 HydrophobicContact CG2-CG 4.28Å; Q374-F392 HydrophobicContact CB-CE2 4.39Å; Q374-F392 HydrophobicContact CB-CZ 3.99Å; V375-F392 HydrophobicContact CB-CD2 4.32Å; V375-F392 HydrophobicContact CG1-CD2 4.44Å; V375-F392 HydrophobicContact CG2-CB 4.25Å; V375-F392 HydrophobicContact CG2-CD1 4.19Å; V375-F392 HydrophobicContact CG2-CD2 3.76Å; V375-F392 HydrophobicContact CG2-CE1 4.48Å; V375-F392 HydrophobicContact CG2-CE2 4.08Å; V375-F392 HydrophobicContact CG2-CG 3.81Å; V375-F392 HydrophobicContact CG2-CZ 4.42Å; D388-F392 WeakPolarHBondContact O-CB 3.45Å; D388-F392 PolarHBondContact O-N 3.13Å; I389-F392 PolarHBondContact O-N 3.21Å; F392-P394 HydrophobicContact CE1-CB 4.42Å
393	V	66.9	Low	61.6	Low	124 Å²	124	90.4 Å²	90.4	75%	0.752	56%	0.557	S	S	*	*			trans	-80.1	118.8	167.3	-177	0	0	0	0	108.1	S391 S395	S391-V393 PolarHBondContact O-N 3.36Å; S391-V393 VanDerWaalsContact O-N 3.14Å; V393-S395 PolarHBondContact O-N 2.73Å
394	P	59.6	Low	59.9	Low	91 Å²	91	92.2 Å²	92.2	59%	0.591	58%	0.579	S	S	*	*			trans	-63.7	129.3	177.8	26.1	-33.5	0	0	0	109.9	F392 K396	F392-P394 HydrophobicContact CE1-CB 4.42Å; P394-K396 PolarHBondContact O-N 3.02Å
395	S	48.1	Very low	57.9	Low	119 Å²	119	98.1 Å²	98.1	83%	0.832	62%	0.615	S	S	*	*			trans	-66.2	105.8	180	-172	0	0	0	0	110.2	V393 A397	V393-S395 PolarHBondContact O-N 2.73Å; S395-A397 PolarHBondContact O-N 3.25Å
396	K	40.8	Very low	56.2	Low	197 Å²	197	101.2 Å²	101.2	86%	0.857	64%	0.635	S	S	*	*			trans	-66.6	99.6	173.7	-178	179.1	179.9	178.7	0	108.5	P394 A398	P394-K396 PolarHBondContact O-N 3.02Å; K396-A398 PolarHBondContact O-N 3.19Å; K396-A398 VanDerWaalsContact O-N 3.07Å
397	A	39.7	Very low	54.8	Low	91 Å²	91	102.5 Å²	102.5	75%	0.752	65%	0.654	S	S	*	*			trans	-53.8	115.9	174.9	0	0	0	0	0	110	S395	S395-A397 PolarHBondContact O-N 3.25Å
398	A	36.8	Very low	53	Low	85 Å²	85	101.2 Å²	101.2	70%	0.702	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-72.8	144.2	174.1	0	0	0	0	0	109.5	K396 A400	K396-A398 PolarHBondContact O-N 3.19Å; K396-A398 VanDerWaalsContact O-N 3.07Å; A398-A400 PolarHBondContact O-N 3.23Å; A398-A400 VanDerWaalsContact O-N 3.16Å
399	P	43.8	Very low	51.8	Low	130 Å²	130	102.9 Å²	102.9	84%	0.844	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-65.3	116.6	174.6	27.4	-33.2	0	0	0	109.7
400	A	35.9	Very low	50.3	Low	88 Å²	88	109.5 Å²	109.5	73%	0.727	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-72.6	148.4	171.5	0	0	0	0	0	110.3	A398	A398-A400 PolarHBondContact O-N 3.23Å; A398-A400 VanDerWaalsContact O-N 3.16Å
401	P	44.8	Very low	48.7	Very low	124 Å²	124	109.7 Å²	109.7	81%	0.805	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-62.4	156	179.8	-22.4	34	0	0	0	113.3	A403	P401-A403 PolarHBondContact O-N 2.99Å
402	A	45.5	Very low	47.6	Very low	108 Å²	108	114.1 Å²	114.1	89%	0.893	76%	0.757	S	S	*	*			trans	-62	109.2	176.4	0	0	0	0	0	111.4
403	A	39.3	Very low	46.8	Very low	91 Å²	91	115.5 Å²	115.5	75%	0.752	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-81.4	132.4	171.4	0	0	0	0	0	110.2	P401	P401-A403 PolarHBondContact O-N 2.99Å
404	V	45.6	Very low	46.5	Very low	140 Å²	140	115.4 Å²	115.4	85%	0.848	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-65.3	134.8	177.6	177.9	0	0	0	0	110	P406	V404-P406 VanDerWaalsContact O-CD 3.32Å; V404-P406 WeakPolarHBondContact O-CD 3.43Å
405	V	39	Very low	46.7	Very low	125 Å²	125	117 Å²	117	76%	0.758	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-80.2	117.5	-175.8	-167.2	0	0	0	0	110.6
406	P	49	Very low	47.7	Very low	104 Å²	104	117 Å²	117	68%	0.675	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-74.8	146.3	164.3	32.3	-33.3	0	0	0	110	V404	V404-P406 VanDerWaalsContact O-CD 3.32Å; V404-P406 WeakPolarHBondContact O-CD 3.43Å
407	P	51.7	Low	49.2	Very low	132 Å²	132	114.5 Å²	114.5	86%	0.857	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-65	141.4	-174.5	26.1	-34.5	0	0	0	112.7
408	T	43.8	Very low	51	Low	138 Å²	138	112.9 Å²	112.9	85%	0.847	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-68.3	127.7	-178.9	46.4	0	0	0	0	112.5
409	G	52.9	Low	53.6	Low	55 Å²	55	116 Å²	116	57%	0.567	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-66.9	169	159.9	0	0	0	0	0	112.3	G411	G409-G411 PolarHBondContact O-N 3.43Å
410	P	49.8	Very low	55.8	Low	140 Å²	140	116.9 Å²	116.9	91%	0.909	78%	0.779	S	S	*	*	S	Bend	trans	-59.3	128.5	-176	24	-33.7	0	0	0	111.9
411	G	44.4	Very low	58.5	Low	76 Å²	76	118.4 Å²	118.4	78%	0.784	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-70.9	132.3	-168.6	0	0	0	0	0	114.1	G409 A413	G409-G411 PolarHBondContact O-N 3.43Å; G411-A413 PolarHBondContact O-N 3.11Å
412	M	49.7	Very low	60.8	Low	187 Å²	187	119 Å²	119	92%	0.921	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-63.3	125.4	159	-168.7	102.6	74.2	0	0	108.3
413	A	56	Low	63.1	Low	81 Å²	81	120.6 Å²	120.6	67%	0.669	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-61.2	136.5	179	0	0	0	0	0	110.7	G411 V415	G411-A413 PolarHBondContact O-N 3.11Å; A413-V415 PolarHBondContact O-N 3.17Å
414	P	61.4	Low	65.7	Low	122 Å²	122	122 Å²	122	79%	0.792	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-65.6	129.7	179.6	26.8	-33.7	0	0	0	110.4
415	V	62.7	Low	68	Low	123 Å²	123	120.7 Å²	120.7	75%	0.745	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-65.4	128.7	174.4	-171.5	0	0	0	0	108.3	A413 T417	A413-V415 PolarHBondContact O-N 3.17Å; V415-T417 PolarHBondContact O-N 2.91Å
416	P	70.1	Confident	70.5	Confident	120 Å²	120	117.5 Å²	117.5	78%	0.779	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-66.5	121.7	-178.6	25.7	-33.5	0	0	0	111
417	T	72	Confident	72.4	Confident	144 Å²	144	118.1 Å²	118.1	88%	0.883	74%	0.737	S	S	*	*			trans	-105.3	-4.4	-176.9	47.8	0	0	0	0	114.1	V415	V415-T417 PolarHBondContact O-N 2.91Å
418	G	76.9	Confident	74.1	Confident	57 Å²	57	116.6 Å²	116.6	59%	0.588	72%	0.721	S	S	*	*			trans	-90.1	146.3	178.8	0	0	0	0	0	113.2
419	V	91.6	Very high	76.3	Confident	150 Å²	150	117.5 Å²	117.5	91%	0.909	71%	0.709	S	S	*	*	S	Bend	trans	-77.8	-27.4	172.3	179.5	0	0	0	0	111.5
420	F	89.8	Confident	78.1	Confident	150 Å²	150	120.8 Å²	120.8	66%	0.658	70%	0.704	S	S	*	*			trans	-148.6	167.4	177.1	62.4	-85.7	0	0	0	109.8	D422	F420-D422 WeakPolarHBondContact CE2-OD2 3.28Å
421	T	92.6	Very high	80	Confident	120 Å²	120	117.5 Å²	117.5	74%	0.736	68%	0.682	S	S	*	*			trans	-137.9	118.5	174.7	-57.2	0	0	0	0	108.6
422	D	93.7	Very high	82.2	Confident	136 Å²	136	116.6 Å²	116.6	73%	0.727	66%	0.658	S	S	*	*			trans	-79.8	133.1	175.9	-62.2	-38.7	0	0	0	110.8	F420	F420-D422 WeakPolarHBondContact CE2-OD2 3.28Å
423	I	93.3	Very high	84.2	Confident	141 Å²	141	109.9 Å²	109.9	72%	0.723	63%	0.632	S	S	*	*			trans	-121.2	122.3	179.1	-57.4	178.1	0	0	0	108.2
424	P	94.2	Very high	86	Confident	120 Å²	120	112.4 Å²	112.4	78%	0.779	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-65.3	138.8	-177.3	25.9	-33.9	0	0	0	112.1	S426	P424-S426 PolarHBondContact O-N 2.75Å
425	I	93.2	Very high	87.4	Confident	114 Å²	114	112.6 Å²	112.6	59%	0.585	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-74.5	121.5	-178.2	-57.9	175.4	0	0	0	109.9	R429 R430	I425-R429 HydrophobicContact CG2-CB 4.21Å; I425-R429 HydrophobicContact CG2-CG 4.37Å; I425-R430 HydrophobicContact CG2-CB 4.37Å
426	S	91.7	Very high	88.8	Confident	57 Å²	57	110.1 Å²	110.1	40%	0.399	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-71.8	149.1	174.6	66.9	0	0	0	0	112.6	P424 I428 R429 R430	P424-S426 PolarHBondContact O-N 2.75Å; S426-I428 VanDerWaalsContact C-N 3.26Å; S426-I428 PolarHBondContact O-N 3.09Å; S426-R429 WeakPolarHBondContact O-CA 3.29Å; S426-R429 WeakPolarHBondContact O-CB 3.21Å; S426-R429 PolarHBondContact O-N 3.3Å; S426-R430 PolarHBondContact O-N 3.12Å
427	N	89.1	Confident	90	Very high	117 Å²	117	109.7 Å²	109.7	63%	0.626	59%	0.586	S	S	*	*	H	α-helix	trans	-57.1	-38.5	-178.4	-66.6	6.2	0	0	0	112.5	R429 R430 V431	N427-R429 VanDerWaalsContact C-N 3.35Å; N427-R429 PolarHBondContact O-N 3.32Å; N427-R430 WeakPolarHBondContact O-CB 3.19Å; N427-R430 PolarHBondContact O-N 2.89Å; N427-V431 WeakPolarHBondContact O-CG2 3.14Å; N427-V431 PolarHBondContact O-N 3.43Å
428	I	86.7	Confident	91	Very high	101 Å²	101	107.9 Å²	107.9	52%	0.518	57%	0.568	S	S	.	*	H	α-helix	trans	-58.3	-46.2	174	-62.5	174.1	0	0	0	110.8	S426 R430 V431 I432	S426-I428 VanDerWaalsContact C-N 3.26Å; S426-I428 PolarHBondContact O-N 3.09Å; I428-R430 PolarHBondContact O-N 3.11Å; I428-V431 PolarHBondContact O-N 3.06Å; I428-I432 HydrophobicContact CG2-CD1 3.8Å; I428-I432 VanDerWaalsContact O-CG1 3.3Å; I428-I432 WeakPolarHBondContact O-CG1 3.1Å; I428-I432 PolarHBondContact O-N 2.59Å
429	R	89.8	Confident	91.9	Very high	156 Å²	156	105.1 Å²	105.1	59%	0.589	54%	0.54	S	S	*	.	H	α-helix	trans	-67	-35.9	178.9	-172.1	174.5	-65.8	-88.8	-1.3	112	I425 S426 N427 A433	I425-R429 HydrophobicContact CG2-CB 4.21Å; I425-R429 HydrophobicContact CG2-CG 4.37Å; S426-R429 WeakPolarHBondContact O-CA 3.29Å; S426-R429 WeakPolarHBondContact O-CB 3.21Å; S426-R429 PolarHBondContact O-N 3.3Å; N427-R429 VanDerWaalsContact C-N 3.35Å; N427-R429 PolarHBondContact O-N 3.32Å; R429-A433 WeakPolarHBondContact O-CB 3.42Å; R429-A433 PolarHBondContact O-N 2.9Å
430	R	91	Very high	92.1	Very high	125 Å²	125	102.6 Å²	102.6	47%	0.472	52%	0.516	S	S	.	.	H	α-helix	trans	-60.7	-50.9	173.8	-171.8	-172.6	-68.8	-144.8	5.4	111.4	D283 I425 S426 N427 I428 I432 A433 Q434	D283-R430 IonicContact OD2-CZ 3.89Å; D283-R430 IonicContact OD2-NH1 2.61Å; D283-R430 PolarHBondContact OD2-NH1 3.31Å; I425-R430 HydrophobicContact CG2-CB 4.37Å; S426-R430 PolarHBondContact O-N 3.12Å; N427-R430 WeakPolarHBondContact O-CB 3.19Å; N427-R430 PolarHBondContact O-N 2.89Å; I428-R430 PolarHBondContact O-N 3.11Å; R430-I432 PolarHBondContact O-N 2.99Å; R430-A433 PolarHBondContact O-N 3.15Å; R430-Q434 PolarHBondContact O-N 2.81Å
431	V	90.3	Very high	92.4	Very high	71 Å²	71	102.6 Å²	102.6	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-40.9	179.9	174.6	0	0	0	0	111.9	N427 I428 Q434 R435	N427-V431 WeakPolarHBondContact O-CG2 3.14Å; N427-V431 PolarHBondContact O-N 3.43Å; I428-V431 PolarHBondContact O-N 3.06Å; V431-Q434 PolarHBondContact O-N 3.02Å; V431-R435 WeakPolarHBondContact O-CG 3.43Å; V431-R435 PolarHBondContact O-N 2.94Å
432	I	90.8	Very high	92.5	Very high	57 Å²	57	100.6 Å²	100.6	29%	0.292	51%	0.506	S	S	.	.	H	α-helix	trans	-62.1	-45.9	175	-69.9	170.1	0	0	0	110.8	I428 R430 Q434 R435 L436	I428-I432 HydrophobicContact CG2-CD1 3.8Å; I428-I432 VanDerWaalsContact O-CG1 3.3Å; I428-I432 WeakPolarHBondContact O-CG1 3.1Å; I428-I432 PolarHBondContact O-N 2.59Å; R430-I432 PolarHBondContact O-N 2.99Å; I432-Q434 PolarHBondContact O-N 3.17Å; I432-R435 PolarHBondContact O-N 3.26Å; I432-L436 HydrophobicContact CG2-CD1 3.67Å; I432-L436 HydrophobicContact CG2-CG 4.25Å; I432-L436 WeakPolarHBondContact O-CB 3.48Å; I432-L436 VanDerWaalsContact O-CG 3.31Å; I432-L436 WeakPolarHBondContact O-CG 3.44Å; I432-L436 PolarHBondContact O-N 2.94Å
433	A	91.8	Very high	92.6	Very high	46 Å²	46	94.7 Å²	94.7	38%	0.38	48%	0.475	S	S	.	.	H	α-helix	trans	-59.9	-46.5	178	0	0	0	0	0	111.9	R429 R430 R435 L436 M437	R429-A433 WeakPolarHBondContact O-CB 3.42Å; R429-A433 PolarHBondContact O-N 2.9Å; R430-A433 PolarHBondContact O-N 3.15Å; A433-R435 PolarHBondContact O-N 3.41Å; A433-L436 PolarHBondContact O-N 2.91Å; A433-M437 WeakPolarHBondContact O-CB 3.42Å; A433-M437 VanDerWaalsContact O-CG 3.3Å; A433-M437 WeakPolarHBondContact O-CG 3.44Å; A433-M437 PolarHBondContact O-N 3.36Å
434	Q	92.9	Very high	92.8	Very high	133 Å²	133	90.9 Å²	90.9	62%	0.621	46%	0.459	S	S	*	.	H	α-helix	trans	-58.5	-47.5	177.5	-173.9	179.8	2.6	0	0	112.2	R430 V431 I432 M437 Q438	R430-Q434 PolarHBondContact O-N 2.81Å; V431-Q434 PolarHBondContact O-N 3.02Å; I432-Q434 PolarHBondContact O-N 3.17Å; Q434-M437 PolarHBondContact O-N 2.84Å; Q434-Q438 WeakPolarHBondContact O-CB 2.98Å; Q434-Q438 PolarHBondContact O-N 3.26Å
435	R	91.6	Very high	92.8	Very high	126 Å²	126	86.3 Å²	86.3	48%	0.475	43%	0.427	S	S	.	.	H	α-helix	trans	-65.7	-40.4	178.9	-72.7	-175.1	178.2	-159.8	-0	113.1	V431 I432 A433 S439	V431-R435 WeakPolarHBondContact O-CG 3.43Å; V431-R435 PolarHBondContact O-N 2.94Å; I432-R435 PolarHBondContact O-N 3.26Å; A433-R435 PolarHBondContact O-N 3.41Å; R435-S439 VanDerWaalsContact O-CB 3.3Å; R435-S439 WeakPolarHBondContact O-CB 3.36Å; R435-S439 PolarHBondContact O-N 2.94Å
436	L	91.8	Very high	93	Very high	71 Å²	71	82.5 Å²	82.5	37%	0.372	41%	0.406	S	S	.	.	H	α-helix	trans	-69.5	-37.8	177.9	-69.5	175.5	0	0	0	112	I432 A433 K440 I579	I432-L436 HydrophobicContact CG2-CD1 3.67Å; I432-L436 HydrophobicContact CG2-CG 4.25Å; I432-L436 WeakPolarHBondContact O-CB 3.48Å; I432-L436 VanDerWaalsContact O-CG 3.31Å; I432-L436 WeakPolarHBondContact O-CG 3.44Å; I432-L436 PolarHBondContact O-N 2.94Å; A433-L436 PolarHBondContact O-N 2.91Å; L436-K440 WeakPolarHBondContact O-CB 3.39Å; L436-K440 PolarHBondContact O-N 3.26Å; L436-I579 HydrophobicContact CD2-CB 4.02Å; L436-I579 HydrophobicContact CD2-CG2 3.85Å
437	M	95.1	Very high	93.2	Very high	111 Å²	111	83.8 Å²	83.8	55%	0.547	40%	0.402	S	S	.	.	H	α-helix	trans	-63.9	-50.8	172.7	-74.8	178.3	65.1	0	0	111.1	A433 Q434 S439 K440 Q441	A433-M437 WeakPolarHBondContact O-CB 3.42Å; A433-M437 VanDerWaalsContact O-CG 3.3Å; A433-M437 WeakPolarHBondContact O-CG 3.44Å; A433-M437 PolarHBondContact O-N 3.36Å; Q434-M437 PolarHBondContact O-N 2.84Å; M437-S439 PolarHBondContact O-N 3.41Å; M437-K440 PolarHBondContact O-N 2.99Å; M437-Q441 VanDerWaalsContact O-CB 3.29Å; M437-Q441 WeakPolarHBondContact O-CB 3.44Å; M437-Q441 VanDerWaalsContact O-CG 3.23Å; M437-Q441 WeakPolarHBondContact O-CG 3.41Å; M437-Q441 PolarHBondContact O-N 2.94Å
438	Q	94.1	Very high	93.6	Very high	106 Å²	106	80.2 Å²	80.2	50%	0.495	38%	0.383	S	S	.	.	H	α-helix	trans	-52.9	-53.9	175.7	-177	-175.2	9.3	0	0	110.8	Q434 K440 Q441 T442	Q434-Q438 WeakPolarHBondContact O-CB 2.98Å; Q434-Q438 PolarHBondContact O-N 3.26Å; Q438-K440 PolarHBondContact O-N 3.41Å; Q438-Q441 PolarHBondContact O-N 2.62Å; Q438-T442 PolarHBondContact O-N 3.29Å; Q438-T442 PolarHBondContact O-OG1 2.61Å
439	S	95.5	Very high	94.1	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-53.7	-51.8	178	-179.3	0	0	0	0	112.5	R435 M437 Q441 I443 H445 I580	R435-S439 VanDerWaalsContact O-CB 3.3Å; R435-S439 WeakPolarHBondContact O-CB 3.36Å; R435-S439 PolarHBondContact O-N 2.94Å; M437-S439 PolarHBondContact O-N 3.41Å; S439-Q441 VanDerWaalsContact C-N 3.28Å; S439-Q441 PolarHBondContact O-N 2.9Å; S439-I443 VanDerWaalsContact O-CB 3.27Å; S439-I443 WeakPolarHBondContact O-CB 3.37Å; S439-I443 PolarHBondContact O-N 2.76Å; S439-H445 PolarHBondContact O-CE1 2.87Å; S439-H445 PolarHBondContact OG-CE1 3.28Å; S439-I580 WeakPolarHBondContact CB-O 3.21Å; S439-I580 PolarHBondContact OG-O 3.23Å
440	K	95.4	Very high	94.5	Very high	97 Å²	97	73.7 Å²	73.7	42%	0.422	37%	0.366	S	S	.	.	H	α-helix	trans	-76.2	-15.2	-174.3	-166.6	54.3	178.1	173.7	0	113.7	L436 M437 Q438 Y447 I579	L436-K440 WeakPolarHBondContact O-CB 3.39Å; L436-K440 PolarHBondContact O-N 3.26Å; M437-K440 PolarHBondContact O-N 2.99Å; Q438-K440 PolarHBondContact O-N 3.41Å; K440-Y447 PolarHBondContact NZ-OH 2.92Å; K440-I579 HydrophobicContact CB-CG2 4.38Å
441	Q	96.2	Very high	94.8	Very high	149 Å²	149	70.2 Å²	70.2	70%	0.696	36%	0.357	S	S	*	.	H	α-helix	trans	-89.9	-38.6	173.8	-72.3	172.6	-17.4	0	0	113.1	M437 Q438 S439	M437-Q441 VanDerWaalsContact O-CB 3.29Å; M437-Q441 WeakPolarHBondContact O-CB 3.44Å; M437-Q441 VanDerWaalsContact O-CG 3.23Å; M437-Q441 WeakPolarHBondContact O-CG 3.41Å; M437-Q441 PolarHBondContact O-N 2.94Å; Q438-Q441 PolarHBondContact O-N 2.62Å; S439-Q441 VanDerWaalsContact C-N 3.28Å; S439-Q441 PolarHBondContact O-N 2.9Å
442	T	95	Very high	95.1	Very high	79 Å²	79	66.9 Å²	66.9	49%	0.485	34%	0.337	S	S	.	.	H	α-helix	trans	-95.6	-28.9	-175.3	65.3	0	0	0	0	114.3	Q438 P444	Q438-T442 PolarHBondContact O-N 3.29Å; Q438-T442 PolarHBondContact O-OG1 2.61Å; T442-P444 WeakPolarHBondContact O-CD 3.39Å
443	I	96	Very high	95.4	Very high	12 Å²	12	66.8 Å²	66.8	6%	0.062	34%	0.337	C	S	.	.	S	Bend	trans	-93.2	119	-178.7	-60.9	176.5	0	0	0	109.9	S439 H445 I580 P582 D619	S439-I443 VanDerWaalsContact O-CB 3.27Å; S439-I443 WeakPolarHBondContact O-CB 3.37Å; S439-I443 PolarHBondContact O-N 2.76Å; I443-H445 PolarHBondContact O-N 2.88Å; I443-H445 PolarHBondContact O-ND1 3.47Å; I443-I580 HydrophobicContact CD1-CB 4.3Å; I443-I580 HydrophobicContact CD1-CG2 3.99Å; I443-I580 HydrophobicContact CG2-CD1 3.82Å; I443-P582 HydrophobicContact CD1-CG 4.23Å; I443-D619 HydrophobicContact CG2-CB 3.57Å
444	P	95.8	Very high	95.6	Very high	61 Å²	61	64.7 Å²	64.7	40%	0.396	32%	0.319	S	S	.	.			trans	-70.9	82.8	171.1	30.6	-33.8	0	0	0	110	T442 Y446 H620 R621	T442-P444 WeakPolarHBondContact O-CD 3.39Å; P444-Y446 PolarHBondContact O-N 3.09Å; P444-H620 HydrophobicContact CB-CB 4.46Å; P444-H620 HydrophobicContact CG-CB 4.26Å; P444-H620 PolarHBondContact O-N 2.87Å; P444-H620 VanDerWaalsContact O-N 3.17Å; P444-R621 HydrophobicContact CG-CG 3.67Å
445	H	95.4	Very high	95.7	Very high	23 Å²	23	59.5 Å²	59.5	11%	0.106	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	120.6	177.5	-74.7	66.8	0	0	0	110.8	S439 I443 Y447 I580 C618	S439-H445 PolarHBondContact O-CE1 2.87Å; S439-H445 PolarHBondContact OG-CE1 3.28Å; I443-H445 PolarHBondContact O-N 2.88Å; I443-H445 PolarHBondContact O-ND1 3.47Å; H445-Y447 HydrophobicContact CB-CE2 4.44Å; H445-I580 PolarHBondContact NE2-N 3.08Å; H445-C618 WeakPolarHBondContact CA-O 3.43Å
446	Y	96.4	Very high	95.9	Very high	35 Å²	35	58.4 Å²	58.4	14%	0.137	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	167	158.9	76.1	-69.5	0	0	0	110.3	P444 L448 S617 C618 H620 V623 D624	P444-Y446 PolarHBondContact O-N 3.09Å; Y446-L448 HydrophobicContact CD2-CD2 4.34Å; Y446-L448 HydrophobicContact CD2-CG 4.23Å; Y446-L448 HydrophobicContact CE2-CD1 3.92Å; Y446-L448 HydrophobicContact CE2-CD2 4.13Å; Y446-L448 HydrophobicContact CE2-CG 3.81Å; Y446-S617 WeakPolarHBondContact O-CA 3.28Å; Y446-C618 HydrophobicContact CD1-CB 3.89Å; Y446-C618 VanDerWaalsContact CD1-O 3.31Å; Y446-C618 WeakPolarHBondContact CD1-O 3.25Å; Y446-C618 HydrophobicContact CE1-CB 3.19Å; Y446-C618 HydrophobicContact CE2-CB 4.4Å; Y446-C618 VanDerWaalsContact CZ-CB 3.48Å; Y446-C618 PolarHBondContact N-O 3.46Å; Y446-C618 VanDerWaalsContact N-O 3.14Å; Y446-C618 PolarHBondContact O-N 2.83Å; Y446-C618 WeakPolarHBondContact OH-CB 3.36Å; Y446-H620 HydrophobicContact CD1-CB 3.63Å; Y446-H620 AromaticContact CD1-CD2 3.44Å; Y446-H620 VanDerWaalsContact CD1-CD2 3.44Å; Y446-H620 WeakPolarHBondContact CD1-CD2 3.4Å; Y446-H620 AromaticContact CD1-CG 3.77Å; Y446-H620 HydrophobicContact CE1-CB 3.9Å; Y446-H620 AromaticContact CE1-CD2 3.79Å; Y446-H620 AromaticContact CE1-CG 3.9Å; Y446-H620 AromaticContact CG-CD2 3.69Å; Y446-V623 VanDerWaalsContact CE1-O 3.28Å; Y446-V623 WeakPolarHBondContact CE1-O 3.44Å; Y446-V623 PolarHBondContact OH-O 3.34Å; Y446-D624 PolarHBondContact OH-O 3.17Å
447	Y	97.4	Very high	96.1	Very high	84 Å²	84	55 Å²	55	33%	0.329	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.4	-169.2	-57.4	-72.2	0	0	0	110.4	K440 H445 T615 L616 S617	K440-Y447 PolarHBondContact NZ-OH 2.92Å; H445-Y447 HydrophobicContact CB-CE2 4.44Å; Y447-T615 HydrophobicContact CD1-CG2 4.46Å; Y447-L616 WeakPolarHBondContact CA-O 3.34Å; Y447-S617 WeakPolarHBondContact CD1-OG 3.34Å; Y447-S617 WeakPolarHBondContact CE1-OG 3.42Å
448	L	97	Very high	96.1	Very high	42 Å²	42	51.6 Å²	51.6	22%	0.22	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.5	174.4	-63	177.8	0	0	0	108.9	Y446 T615 L616 G628 L632	Y446-L448 HydrophobicContact CD2-CD2 4.34Å; Y446-L448 HydrophobicContact CD2-CG 4.23Å; Y446-L448 HydrophobicContact CE2-CD1 3.92Å; Y446-L448 HydrophobicContact CE2-CD2 4.13Å; Y446-L448 HydrophobicContact CE2-CG 3.81Å; L448-T615 CarbonylContact O-C 3.36Å; L448-T615 WeakPolarHBondContact O-CA 3.41Å; L448-L616 PolarHBondContact N-O 3.15Å; L448-L616 PolarHBondContact O-N 2.74Å; L448-G628 VanDerWaalsContact CD1-C 3.46Å; L448-L632 HydrophobicContact CB-CD1 3.49Å; L448-L632 VanDerWaalsContact CB-CD1 3.49Å; L448-L632 HydrophobicContact CD1-CD1 4.28Å
449	S	97.7	Very high	96.2	Very high	78 Å²	78	50.6 Å²	50.6	55%	0.545	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.6	-177.3	-58.5	0	0	0	0	111.7	V614 T615	S449-V614 VanDerWaalsContact CA-O 3.32Å; S449-V614 WeakPolarHBondContact CA-O 3.32Å; S449-T615 WeakPolarHBondContact OG-CG2 3.36Å; S449-T615 PolarHBondContact OG-OG1 2.96Å
450	I	97.3	Very high	96.2	Very high	41 Å²	41	52.2 Å²	52.2	21%	0.21	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155.8	172.5	58.6	165.7	0	0	0	110.7	V452 V614 L632 R636	I450-V452 HydrophobicContact CD1-CG2 3.74Å; I450-V452 HydrophobicContact CG1-CG2 4.14Å; I450-V614 PolarHBondContact N-O 2.81Å; I450-V614 PolarHBondContact O-N 3.18Å; I450-L632 HydrophobicContact CD1-CB 4.13Å; I450-L632 HydrophobicContact CD1-CD2 3.98Å; I450-L632 HydrophobicContact CG1-CD2 4.06Å; I450-L632 HydrophobicContact CG2-CD1 4.44Å; I450-R636 HydrophobicContact CD1-CB 3.85Å; I450-R636 HydrophobicContact CD1-CG 4.45Å
451	D	96.8	Very high	96.2	Very high	53 Å²	53	51 Å²	51	28%	0.283	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	139.6	161.4	-77.9	-13.1	0	0	0	109.8	K596 M611 S613	D451-K596 IonicContact OD1-NZ 2.62Å; D451-K596 IonicContact OD2-NZ 2.63Å; D451-K596 PolarHBondContact OD2-NZ 3.11Å; D451-M611 HydrophobicContact CB-SD 4.36Å; D451-S613 WeakPolarHBondContact OD1-CA 3.23Å; D451-S613 VanDerWaalsContact OD1-CB 3.26Å; D451-S613 WeakPolarHBondContact OD1-CB 3.29Å; D451-S613 PolarHBondContact OD1-OG 2.65Å
452	V	97.1	Very high	96.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.9	179	-177.8	0	0	0	0	109.3	I450 M454 M612 V614 R636 L639 E640	I450-V452 HydrophobicContact CD1-CG2 3.74Å; I450-V452 HydrophobicContact CG1-CG2 4.14Å; V452-M454 HydrophobicContact CB-SD 4.5Å; V452-M454 HydrophobicContact CG1-SD 4Å; V452-M454 PolarHBondContact O-N 2.62Å; V452-M612 PolarHBondContact N-O 3.4Å; V452-M612 PolarHBondContact O-N 2.85Å; V452-V614 HydrophobicContact CG2-CG2 4.21Å; V452-R636 HydrophobicContact CG1-CG 4.45Å; V452-R636 HydrophobicContact CG2-CB 4.36Å; V452-R636 HydrophobicContact CG2-CG 4.31Å; V452-L639 HydrophobicContact CG1-CB 3.76Å; V452-L639 HydrophobicContact CG1-CD1 4.02Å; V452-E640 HydrophobicContact CG1-CG 4.1Å
453	N	96.7	Very high	96.1	Very high	55 Å²	55	52.5 Å²	52.5	29%	0.294	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	120.8	174	-175.6	-7.8	0	0	0	110.5	G455 M611 E640	N453-G455 PolarHBondContact OD1-N 2.63Å; N453-M611 HydrophobicContact CB-CE 4.38Å; N453-M611 HydrophobicContact CB-SD 3.99Å; N453-E640 HydrophobicContact CB-CG 4.25Å; N453-E640 PolarHBondContact N-OE1 2.79Å
454	M	96.1	Very high	96	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.279	C	S	.	.			trans	-97.1	2.4	-176.4	-61.7	-57.1	-72.1	0	0	113.9	V452 E456 V457 L458 V476 S610 M612 L639	V452-M454 HydrophobicContact CB-SD 4.5Å; V452-M454 HydrophobicContact CG1-SD 4Å; V452-M454 PolarHBondContact O-N 2.62Å; M454-E456 PolarHBondContact O-N 2.77Å; M454-V457 HydrophobicContact CE-CB 4.02Å; M454-V457 HydrophobicContact CE-CG1 4.05Å; M454-V457 HydrophobicContact CE-CG2 3.86Å; M454-V457 PolarHBondContact O-N 3.37Å; M454-V457 HydrophobicContact SD-CG2 4.24Å; M454-L458 HydrophobicContact CB-CD1 4.23Å; M454-L458 HydrophobicContact CB-CG 4.41Å; M454-L458 WeakPolarHBondContact O-CB 3.3Å; M454-L458 VanDerWaalsContact O-CG 3.26Å; M454-L458 WeakPolarHBondContact O-CG 3.26Å; M454-L458 PolarHBondContact O-N 2.89Å; M454-V476 HydrophobicContact CE-CG1 3.42Å; M454-V476 VanDerWaalsContact CE-CG1 3.42Å; M454-S610 PolarHBondContact N-O 3.24Å; M454-M612 HydrophobicContact CE-CE 3.8Å; M454-M612 HydrophobicContact CE-SD 4.02Å; M454-M612 HydrophobicContact CG-CB 3.5Å; M454-M612 HydrophobicContact CG-CE 4.38Å; M454-M612 HydrophobicContact CG-CG 4.5Å; M454-M612 HydrophobicContact CG-SD 4.26Å; M454-M612 HydrophobicContact SD-CB 4.16Å; M454-M612 HydrophobicContact SD-CE 3.55Å; M454-M612 VanDerWaalsContact SD-CE 3.55Å; M454-M612 HydrophobicContact SD-SD 4.1Å; M454-L639 HydrophobicContact CE-CD2 4.46Å; M454-L639 HydrophobicContact SD-CB 4.5Å; M454-L639 HydrophobicContact SD-CD1 4.23Å
455	G	95.1	Very high	96	Very high	25 Å²	25	53.3 Å²	53.3	26%	0.258	27%	0.269	S	S	.	.	H	α-helix	trans	-50.9	-56.1	-176.3	0	0	0	0	0	113.6	N453 V457 L458 L459	N453-G455 PolarHBondContact OD1-N 2.63Å; G455-V457 PolarHBondContact O-N 2.88Å; G455-L458 WeakPolarHBondContact O-CB 3.37Å; G455-L458 PolarHBondContact O-N 3.05Å; G455-L458 VanDerWaalsContact O-N 3.12Å; G455-L459 PolarHBondContact O-N 2.81Å
456	E	95.6	Very high	96	Very high	103 Å²	103	59.5 Å²	59.5	48%	0.481	30%	0.295	S	S	.	.	H	α-helix	trans	-62.7	-41.2	179.7	-63.1	-55.7	143.3	0	0	112.7	M454 L458 L459 V460 P642	M454-E456 PolarHBondContact O-N 2.77Å; E456-L458 VanDerWaalsContact C-N 3.25Å; E456-L458 PolarHBondContact O-N 2.74Å; E456-L459 PolarHBondContact O-N 3.26Å; E456-L459 VanDerWaalsContact O-N 3.16Å; E456-V460 WeakPolarHBondContact O-CG2 3.42Å; E456-V460 PolarHBondContact O-N 2.91Å; E456-P642 HydrophobicContact CB-CG 4.06Å
457	V	96.2	Very high	95.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.3	-41.4	174.2	-170.1	0	0	0	0	110.6	M454 G455 L459 R461 V476 F479 L639 P642	M454-V457 HydrophobicContact CE-CB 4.02Å; M454-V457 HydrophobicContact CE-CG1 4.05Å; M454-V457 HydrophobicContact CE-CG2 3.86Å; M454-V457 PolarHBondContact O-N 3.37Å; M454-V457 HydrophobicContact SD-CG2 4.24Å; G455-V457 PolarHBondContact O-N 2.88Å; V457-L459 VanDerWaalsContact C-N 3.35Å; V457-R461 WeakPolarHBondContact O-CB 3.37Å; V457-R461 PolarHBondContact O-N 3.32Å; V457-V476 HydrophobicContact CG1-CG1 4.45Å; V457-F479 HydrophobicContact CG1-CB 3.98Å; V457-F479 HydrophobicContact CG1-CD1 4.13Å; V457-F479 HydrophobicContact CG1-CD2 3.85Å; V457-F479 HydrophobicContact CG1-CE2 4.33Å; V457-F479 HydrophobicContact CG1-CG 3.74Å; V457-L639 HydrophobicContact CG2-CB 4.2Å; V457-L639 HydrophobicContact CG2-CD2 4.12Å; V457-L639 WeakPolarHBondContact CG2-O 3.32Å; V457-P642 HydrophobicContact CG2-CG 4.05Å
458	L	95.6	Very high	95.5	Very high	39 Å²	39	61.3 Å²	61.3	20%	0.204	31%	0.312	C	S	.	.	H	α-helix	trans	-72	-25.7	-179.8	-69	170.1	0	0	0	113.1	M454 G455 E456 R461 K462 V476	M454-L458 HydrophobicContact CB-CD1 4.23Å; M454-L458 HydrophobicContact CB-CG 4.41Å; M454-L458 WeakPolarHBondContact O-CB 3.3Å; M454-L458 VanDerWaalsContact O-CG 3.26Å; M454-L458 WeakPolarHBondContact O-CG 3.26Å; M454-L458 PolarHBondContact O-N 2.89Å; G455-L458 WeakPolarHBondContact O-CB 3.37Å; G455-L458 PolarHBondContact O-N 3.05Å; G455-L458 VanDerWaalsContact O-N 3.12Å; E456-L458 VanDerWaalsContact C-N 3.25Å; E456-L458 PolarHBondContact O-N 2.74Å; L458-R461 VanDerWaalsContact CD2-NH2 3.26Å; L458-K462 VanDerWaalsContact O-CD 3.28Å; L458-K462 WeakPolarHBondContact O-CD 3.36Å; L458-K462 WeakPolarHBondContact O-CG 3.45Å; L458-V476 HydrophobicContact CD2-CG2 4.14Å
459	L	95.8	Very high	95	Very high	84 Å²	84	66.2 Å²	66.2	44%	0.44	33%	0.334	S	S	.	.	H	α-helix	trans	-75.1	-57.9	170.5	-65.7	177.4	0	0	0	110.9	G455 E456 V457 R461 K462 E463	G455-L459 PolarHBondContact O-N 2.81Å; E456-L459 PolarHBondContact O-N 3.26Å; E456-L459 VanDerWaalsContact O-N 3.16Å; V457-L459 VanDerWaalsContact C-N 3.35Å; L459-R461 PolarHBondContact O-N 3.26Å; L459-K462 WeakPolarHBondContact O-CA 3.37Å; L459-K462 WeakPolarHBondContact O-CB 3.36Å; L459-K462 PolarHBondContact O-N 2.96Å; L459-E463 PolarHBondContact O-N 3.25Å; L459-E463 VanDerWaalsContact O-N 3.1Å
460	V	95.6	Very high	94.1	Very high	35 Å²	35	66.9 Å²	66.9	21%	0.212	35%	0.353	C	S	.	.	H	α-helix	trans	-56.3	-38.9	179.7	175	0	0	0	0	111.3	E456 K462 E463 L464 F479 P642	E456-V460 WeakPolarHBondContact O-CG2 3.42Å; E456-V460 PolarHBondContact O-N 2.91Å; V460-K462 PolarHBondContact O-N 3.29Å; V460-E463 PolarHBondContact O-N 2.88Å; V460-L464 HydrophobicContact CG1-CD1 3.87Å; V460-L464 HydrophobicContact CG1-CG 4.15Å; V460-L464 WeakPolarHBondContact O-CB 3.37Å; V460-L464 WeakPolarHBondContact O-CG 3.47Å; V460-L464 PolarHBondContact O-N 2.91Å; V460-F479 HydrophobicContact CG1-CE1 4.05Å; V460-F479 HydrophobicContact CG1-CZ 4.15Å; V460-P642 HydrophobicContact CG2-CB 4.27Å; V460-P642 HydrophobicContact CG2-CG 4.35Å
461	R	95.1	Very high	93.4	Very high	71 Å²	71	75 Å²	75	27%	0.268	38%	0.381	S	S	.	.	H	α-helix	trans	-63.5	-35.5	174.2	-174.9	178.4	67.5	111	-3.7	113.1	V457 L458 L459 N465 F479	V457-R461 WeakPolarHBondContact O-CB 3.37Å; V457-R461 PolarHBondContact O-N 3.32Å; L458-R461 VanDerWaalsContact CD2-NH2 3.26Å; L459-R461 PolarHBondContact O-N 3.26Å; R461-N465 WeakPolarHBondContact CG-ND2 3.24Å; R461-N465 VanDerWaalsContact O-CB 3.31Å; R461-N465 WeakPolarHBondContact O-CB 3.48Å; R461-N465 PolarHBondContact O-N 2.83Å; R461-N465 VanDerWaalsContact O-N 3.15Å; R461-N465 PolarHBondContact O-ND2 2.67Å; R461-F479 HydrophobicContact CB-CE2 3.71Å; R461-F479 HydrophobicContact CB-CZ 4.09Å; R461-F479 HydrophobicContact CG-CE2 3.96Å
462	K	95.5	Very high	93	Very high	133 Å²	133	73.3 Å²	73.3	58%	0.578	37%	0.373	S	S	*	.	H	α-helix	trans	-68.1	-44.1	175.7	-72.9	163.1	-173.7	173.4	0	110.4	L458 L459 V460 K466	L458-K462 VanDerWaalsContact O-CD 3.28Å; L458-K462 WeakPolarHBondContact O-CD 3.36Å; L458-K462 WeakPolarHBondContact O-CG 3.45Å; L459-K462 WeakPolarHBondContact O-CA 3.37Å; L459-K462 WeakPolarHBondContact O-CB 3.36Å; L459-K462 PolarHBondContact O-N 2.96Å; V460-K462 PolarHBondContact O-N 3.29Å; K462-K466 WeakPolarHBondContact O-CB 3.43Å; K462-K466 PolarHBondContact O-N 3.44Å
463	E	94.9	Very high	92.8	Very high	127 Å²	127	81.6 Å²	81.6	59%	0.593	41%	0.409	S	S	*	.	H	α-helix	trans	-66.1	-48.9	-179.5	-64.8	-178.7	162.3	0	0	112.1	L459 V460 N465 K466 I467	L459-E463 PolarHBondContact O-N 3.25Å; L459-E463 VanDerWaalsContact O-N 3.1Å; V460-E463 PolarHBondContact O-N 2.88Å; E463-N465 PolarHBondContact O-N 3.35Å; E463-K466 WeakPolarHBondContact O-CB 3.46Å; E463-K466 PolarHBondContact O-N 2.83Å; E463-K466 VanDerWaalsContact O-N 3.12Å; E463-I467 WeakPolarHBondContact O-CG1 3.31Å; E463-I467 PolarHBondContact O-N 3.44Å
464	L	93.8	Very high	92.7	Very high	55 Å²	55	79.1 Å²	79.1	29%	0.288	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-40.7	177.1	-68.5	-179.6	0	0	0	112.4	V460 K466 I467 L468 I474 F479 L534	V460-L464 HydrophobicContact CG1-CD1 3.87Å; V460-L464 HydrophobicContact CG1-CG 4.15Å; V460-L464 WeakPolarHBondContact O-CB 3.37Å; V460-L464 WeakPolarHBondContact O-CG 3.47Å; V460-L464 PolarHBondContact O-N 2.91Å; L464-K466 VanDerWaalsContact C-N 3.28Å; L464-K466 PolarHBondContact O-N 3.43Å; L464-I467 PolarHBondContact O-N 3.05Å; L464-L468 WeakPolarHBondContact O-CB 3.34Å; L464-L468 VanDerWaalsContact O-CG 3.32Å; L464-L468 WeakPolarHBondContact O-CG 3.36Å; L464-L468 PolarHBondContact O-N 2.96Å; L464-I474 HydrophobicContact CB-CD1 4.26Å; L464-I474 HydrophobicContact CD1-CD1 4.3Å; L464-F479 HydrophobicContact CD1-CZ 4.1Å; L464-L534 HydrophobicContact CD1-CD1 4.33Å
465	N	94.8	Very high	92.6	Very high	35 Å²	35	81.1 Å²	81.1	19%	0.187	41%	0.41	C	S	.	.	H	α-helix	trans	-65.9	-30.2	175.1	-82.2	-67.3	0	0	0	112.7	R461 E463 E469 K473 I474	R461-N465 WeakPolarHBondContact CG-ND2 3.24Å; R461-N465 VanDerWaalsContact O-CB 3.31Å; R461-N465 WeakPolarHBondContact O-CB 3.48Å; R461-N465 PolarHBondContact O-N 2.83Å; R461-N465 VanDerWaalsContact O-N 3.15Å; R461-N465 PolarHBondContact O-ND2 2.67Å; E463-N465 PolarHBondContact O-N 3.35Å; N465-E469 WeakPolarHBondContact O-CG 3.34Å; N465-E469 PolarHBondContact O-N 3.43Å; N465-K473 WeakPolarHBondContact OD1-CA 3.29Å; N465-I474 PolarHBondContact ND2-O 3.45Å; N465-I474 PolarHBondContact OD1-N 2.93Å
466	K	95.3	Very high	92.7	Very high	152 Å²	152	81.6 Å²	81.6	66%	0.661	41%	0.408	S	S	*	.	H	α-helix	trans	-70.3	-37.4	173.6	-172.9	177.6	-178	-177.3	0	112.1	K462 E463 L464 E469	K462-K466 WeakPolarHBondContact O-CB 3.43Å; K462-K466 PolarHBondContact O-N 3.44Å; E463-K466 WeakPolarHBondContact O-CB 3.46Å; E463-K466 PolarHBondContact O-N 2.83Å; E463-K466 VanDerWaalsContact O-N 3.12Å; L464-K466 VanDerWaalsContact C-N 3.28Å; L464-K466 PolarHBondContact O-N 3.43Å; K466-E469 WeakPolarHBondContact O-CG 3.4Å
467	I	93.5	Very high	92.7	Very high	132 Å²	132	77.9 Å²	77.9	68%	0.677	39%	0.391	S	S	*	.	H	α-helix	trans	-71.8	-32.8	176.5	-66.4	163.4	0	0	0	111.4	E463 L464	E463-I467 WeakPolarHBondContact O-CG1 3.31Å; E463-I467 PolarHBondContact O-N 3.44Å; L464-I467 PolarHBondContact O-N 3.05Å
468	L	91.2	Very high	92.7	Very high	25 Å²	25	78 Å²	78	13%	0.131	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	15.3	-179.2	-63.3	171.5	0	0	0	113.9	L464 G470 R471 I474	L464-L468 WeakPolarHBondContact O-CB 3.34Å; L464-L468 VanDerWaalsContact O-CG 3.32Å; L464-L468 WeakPolarHBondContact O-CG 3.36Å; L464-L468 PolarHBondContact O-N 2.96Å; L468-G470 PolarHBondContact O-N 3.4Å; L468-R471 PolarHBondContact O-N 3.3Å; L468-I474 HydrophobicContact CD1-CD1 3.58Å; L468-I474 HydrophobicContact CD1-CG1 4.09Å
469	E	85.5	Confident	92.8	Very high	146 Å²	146	76.3 Å²	76.3	68%	0.682	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	125.1	-179.6	-84.5	176.5	-163.4	0	0	111.7	N465 K466 R471	N465-E469 WeakPolarHBondContact O-CG 3.34Å; N465-E469 PolarHBondContact O-N 3.43Å; K466-E469 WeakPolarHBondContact O-CG 3.4Å; E469-R471 PolarHBondContact O-N 2.58Å
470	G	77.8	Confident	92.8	Very high	92 Å²	92	72.4 Å²	72.4	95%	0.948	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-2.2	-178.6	0	0	0	0	0	116.5	L468	L468-G470 PolarHBondContact O-N 3.4Å
471	R	84.3	Confident	92.9	Very high	211 Å²	211	70.7 Å²	70.7	80%	0.796	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-68	177.1	-63.9	-176	-177.5	-179.3	1.5	113.1	L468 E469	L468-R471 PolarHBondContact O-N 3.3Å; E469-R471 PolarHBondContact O-N 2.58Å
472	S	88.5	Confident	93	Very high	18 Å²	18	68.4 Å²	68.4	13%	0.126	34%	0.344	C	S	.	.			trans	-142.7	147.5	-169	-57.4	0	0	0	0	109.8	E535 N539	S472-E535 WeakPolarHBondContact CB-OE1 3.19Å; S472-E535 WeakPolarHBondContact OG-CG 3.37Å; S472-E535 PolarHBondContact OG-OE1 3.48Å; S472-N539 PolarHBondContact OG-ND2 3.06Å
473	K	92.8	Very high	93.1	Very high	173 Å²	173	62.1 Å²	62.1	75%	0.752	32%	0.317	S	S	*	.			trans	-118.3	109.4	-178.1	-174	175.6	-178.2	174.1	0	111.5	N465	N465-K473 WeakPolarHBondContact OD1-CA 3.29Å
474	I	94.4	Very high	93.3	Very high	4 Å²	4	56 Å²	56	2%	0.021	29%	0.288	C	S	.	.			trans	-82.5	125.3	-178.7	-58.5	179.5	0	0	0	110.1	L464 N465 L468 D478 F479 L534	L464-I474 HydrophobicContact CB-CD1 4.26Å; L464-I474 HydrophobicContact CD1-CD1 4.3Å; N465-I474 PolarHBondContact ND2-O 3.45Å; N465-I474 PolarHBondContact OD1-N 2.93Å; L468-I474 HydrophobicContact CD1-CD1 3.58Å; L468-I474 HydrophobicContact CD1-CG1 4.09Å; I474-D478 HydrophobicContact CG2-CB 4.3Å; I474-F479 HydrophobicContact CG2-CD2 4.11Å; I474-F479 HydrophobicContact CG2-CE2 3.56Å; I474-F479 HydrophobicContact CG2-CZ 4.28Å; I474-L534 HydrophobicContact CD1-CB 4.15Å
475	S	94.2	Very high	93.4	Very high	43 Å²	43	53.4 Å²	53.4	30%	0.301	28%	0.275	S	S	.	.			trans	-91	175	175.1	81.5	0	0	0	0	111.5	N477 D478 F479	S475-N477 VanDerWaalsContact C-N 3.26Å; S475-N477 WeakPolarHBondContact OG-CB 3.24Å; S475-N477 PolarHBondContact OG-N 3.37Å; S475-N477 VanDerWaalsContact OG-N 3.09Å; S475-D478 WeakPolarHBondContact CA-OD2 3.11Å; S475-D478 VanDerWaalsContact CB-OD2 3.26Å; S475-D478 WeakPolarHBondContact CB-OD2 3.35Å; S475-D478 PolarHBondContact N-OD2 3.47Å; S475-D478 VanDerWaalsContact OG-CG 3.26Å; S475-D478 PolarHBondContact OG-N 3.38Å; S475-D478 PolarHBondContact OG-OD2 3.28Å; S475-F479 WeakPolarHBondContact O-CD2 3.38Å
476	V	95.5	Very high	93.5	Very high	36 Å²	36	52.5 Å²	52.5	22%	0.218	27%	0.27	C	S	.	.	H	α-helix	trans	-71.1	-27.4	170.5	-174.9	0	0	0	0	110.9	M454 V457 L458 D478 F479 I480	M454-V476 HydrophobicContact CE-CG1 3.42Å; M454-V476 VanDerWaalsContact CE-CG1 3.42Å; V457-V476 HydrophobicContact CG1-CG1 4.45Å; L458-V476 HydrophobicContact CD2-CG2 4.14Å; V476-D478 VanDerWaalsContact C-N 3.27Å; V476-D478 PolarHBondContact O-N 2.98Å; V476-F479 PolarHBondContact O-N 2.82Å; V476-I480 HydrophobicContact CG1-CD1 4.02Å; V476-I480 WeakPolarHBondContact O-CG1 3.4Å; V476-I480 PolarHBondContact O-N 3.23Å
477	N	95.9	Very high	93.6	Very high	25 Å²	25	45.2 Å²	45.2	13%	0.134	24%	0.238	C	C	.	.	H	α-helix	trans	-65.2	-30.8	-177.3	-161.7	79.9	0	0	0	112.3	S475 I480 I481 N567	S475-N477 VanDerWaalsContact C-N 3.26Å; S475-N477 WeakPolarHBondContact OG-CB 3.24Å; S475-N477 PolarHBondContact OG-N 3.37Å; S475-N477 VanDerWaalsContact OG-N 3.09Å; N477-I480 PolarHBondContact O-N 2.9Å; N477-I481 WeakPolarHBondContact ND2-CD1 3.44Å; N477-I481 WeakPolarHBondContact O-CG1 3.39Å; N477-I481 PolarHBondContact O-N 3.48Å; N477-N567 PolarHBondContact OD1-ND2 3.07Å
478	D	96.4	Very high	93.8	Very high	3 Å²	3	39 Å²	39	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-73.7	-36.6	-176.8	-46.9	-52.8	0	0	0	111.6	I474 S475 V476 I480 I481 K482 L534 I537 A538	I474-D478 HydrophobicContact CG2-CB 4.3Å; S475-D478 WeakPolarHBondContact CA-OD2 3.11Å; S475-D478 VanDerWaalsContact CB-OD2 3.26Å; S475-D478 WeakPolarHBondContact CB-OD2 3.35Å; S475-D478 PolarHBondContact N-OD2 3.47Å; S475-D478 VanDerWaalsContact OG-CG 3.26Å; S475-D478 PolarHBondContact OG-N 3.38Å; S475-D478 PolarHBondContact OG-OD2 3.28Å; V476-D478 VanDerWaalsContact C-N 3.27Å; V476-D478 PolarHBondContact O-N 2.98Å; D478-I480 VanDerWaalsContact C-N 3.31Å; D478-I481 PolarHBondContact O-N 3.1Å; D478-K482 PolarHBondContact O-N 3.47Å; D478-L534 WeakPolarHBondContact O-CD2 3.46Å; D478-I537 HydrophobicContact CB-CG2 4.1Å; D478-A538 HydrophobicContact CB-CB 4.42Å
479	F	96.9	Very high	94	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.013	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-39.4	167.6	-69	-89.9	0	0	0	111.4	V457 V460 R461 L464 I474 S475 V476 K482 A483 L534 L639 M645	V457-F479 HydrophobicContact CG1-CB 3.98Å; V457-F479 HydrophobicContact CG1-CD1 4.13Å; V457-F479 HydrophobicContact CG1-CD2 3.85Å; V457-F479 HydrophobicContact CG1-CE2 4.33Å; V457-F479 HydrophobicContact CG1-CG 3.74Å; V460-F479 HydrophobicContact CG1-CE1 4.05Å; V460-F479 HydrophobicContact CG1-CZ 4.15Å; R461-F479 HydrophobicContact CB-CE2 3.71Å; R461-F479 HydrophobicContact CB-CZ 4.09Å; R461-F479 HydrophobicContact CG-CE2 3.96Å; L464-F479 HydrophobicContact CD1-CZ 4.1Å; I474-F479 HydrophobicContact CG2-CD2 4.11Å; I474-F479 HydrophobicContact CG2-CE2 3.56Å; I474-F479 HydrophobicContact CG2-CZ 4.28Å; S475-F479 WeakPolarHBondContact O-CD2 3.38Å; V476-F479 PolarHBondContact O-N 2.82Å; F479-K482 PolarHBondContact O-N 3.34Å; F479-A483 WeakPolarHBondContact O-CB 3.4Å; F479-A483 PolarHBondContact O-N 3.32Å; F479-L534 HydrophobicContact CD1-CD1 3.9Å; F479-L534 HydrophobicContact CD1-CD2 4.4Å; F479-L534 HydrophobicContact CE1-CD1 3.62Å; F479-L534 HydrophobicContact CG-CD2 4.5Å; F479-L534 HydrophobicContact CZ-CD1 4.09Å; F479-L639 HydrophobicContact CB-CD2 4.23Å; F479-M645 HydrophobicContact CB-CE 4.37Å; F479-M645 HydrophobicContact CD1-CE 4.27Å
480	I	97.3	Very high	94.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-68.6	-42.3	179.6	-63.4	165.6	0	0	0	110.7	V476 N477 D478 K482 A483 S484 I565 L588 I590 M612 F635 L639	V476-I480 HydrophobicContact CG1-CD1 4.02Å; V476-I480 WeakPolarHBondContact O-CG1 3.4Å; V476-I480 PolarHBondContact O-N 3.23Å; N477-I480 PolarHBondContact O-N 2.9Å; D478-I480 VanDerWaalsContact C-N 3.31Å; I480-K482 PolarHBondContact O-N 3.46Å; I480-A483 PolarHBondContact O-N 2.86Å; I480-S484 WeakPolarHBondContact O-CB 3.21Å; I480-S484 PolarHBondContact O-N 3.4Å; I480-S484 PolarHBondContact O-OG 2.82Å; I480-I565 HydrophobicContact CG2-CD1 4.35Å; I480-L588 HydrophobicContact CG2-CD2 4.02Å; I480-I590 HydrophobicContact CD1-CD1 4.1Å; I480-I590 HydrophobicContact CD1-CG2 4.26Å; I480-I590 HydrophobicContact CG2-CD1 3.6Å; I480-I590 HydrophobicContact CG2-CG1 4.44Å; I480-M612 HydrophobicContact CD1-CE 3.71Å; I480-M612 HydrophobicContact CD1-SD 3.89Å; I480-M612 HydrophobicContact CG1-CE 4.23Å; I480-F635 HydrophobicContact CG2-CE2 3.96Å; I480-F635 HydrophobicContact CG2-CZ 3.88Å; I480-L639 HydrophobicContact CG1-CD1 4.27Å; I480-L639 HydrophobicContact CG1-CD2 4.22Å
481	I	97.7	Very high	95.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.1	-49.4	172	-70	162.5	0	0	0	110.8	N477 D478 S484 A485 V511 V513 A529 I537 V541 I565	N477-I481 WeakPolarHBondContact ND2-CD1 3.44Å; N477-I481 WeakPolarHBondContact O-CG1 3.39Å; N477-I481 PolarHBondContact O-N 3.48Å; D478-I481 PolarHBondContact O-N 3.1Å; I481-S484 PolarHBondContact O-N 3.34Å; I481-A485 VanDerWaalsContact O-CB 3.32Å; I481-A485 WeakPolarHBondContact O-CB 3.39Å; I481-A485 PolarHBondContact O-N 2.87Å; I481-V511 HydrophobicContact CG1-CG1 4.25Å; I481-V511 HydrophobicContact CG2-CB 4.2Å; I481-V511 HydrophobicContact CG2-CG1 4.19Å; I481-V511 HydrophobicContact CG2-CG2 4.37Å; I481-V513 HydrophobicContact CD1-CG2 3.73Å; I481-V513 HydrophobicContact CG1-CG2 4.23Å; I481-A529 HydrophobicContact CG2-CB 3.89Å; I481-I537 HydrophobicContact CB-CG2 4.06Å; I481-I537 HydrophobicContact CD1-CG2 3.94Å; I481-I537 HydrophobicContact CG2-CD1 4.39Å; I481-I537 HydrophobicContact CG2-CG2 3.79Å; I481-V541 HydrophobicContact CD1-CG2 3.61Å; I481-I565 HydrophobicContact CG1-CD1 4Å
482	K	97.5	Very high	96	Very high	23 Å²	23	28.3 Å²	28.3	10%	0.1	14%	0.144	C	C	.	.	H	α-helix	trans	-65.2	-43.7	180	-173.6	63.8	173.9	-172	0	112	D478 F479 I480 A485 L486 H530 K532 L534 I537 M645	D478-K482 PolarHBondContact O-N 3.47Å; F479-K482 PolarHBondContact O-N 3.34Å; I480-K482 PolarHBondContact O-N 3.46Å; K482-A485 PolarHBondContact O-N 3.47Å; K482-L486 HydrophobicContact CD-CD1 4.49Å; K482-L486 HydrophobicContact CD-CG 4.43Å; K482-L486 HydrophobicContact CG-CD1 4.27Å; K482-L486 WeakPolarHBondContact O-CG 3.29Å; K482-L486 PolarHBondContact O-N 3.33Å; K482-H530 PolarHBondContact NZ-O 3.05Å; K482-K532 PolarHBondContact NZ-O 3.15Å; K482-L534 HydrophobicContact CB-CD2 3.71Å; K482-L534 HydrophobicContact CG-CD2 4.17Å; K482-I537 HydrophobicContact CB-CD1 4.16Å; K482-I537 HydrophobicContact CD-CD1 4.1Å; K482-M645 HydrophobicContact CB-SD 4.25Å; K482-M645 HydrophobicContact CG-SD 4.07Å
483	A	97.5	Very high	96.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-44.9	176.9	0	0	0	0	0	112.1	F479 I480 A485 L486 A487 F635 L639 M645	F479-A483 WeakPolarHBondContact O-CB 3.4Å; F479-A483 PolarHBondContact O-N 3.32Å; I480-A483 PolarHBondContact O-N 2.86Å; A483-A485 VanDerWaalsContact C-N 3.34Å; A483-L486 PolarHBondContact O-N 3.05Å; A483-A487 VanDerWaalsContact O-CB 3.31Å; A483-A487 WeakPolarHBondContact O-CB 3.48Å; A483-A487 PolarHBondContact O-N 3.49Å; A483-F635 HydrophobicContact CB-CD2 3.9Å; A483-F635 HydrophobicContact CB-CE2 3.91Å; A483-L639 HydrophobicContact CB-CD2 3.97Å; A483-L639 HydrophobicContact CB-CG 4.01Å; A483-M645 HydrophobicContact CB-CE 3.89Å
484	S	97.6	Very high	96.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.9	-42.4	174.4	-62.8	0	0	0	0	111.5	I480 I481 A487 C488 F635	I480-S484 WeakPolarHBondContact O-CB 3.21Å; I480-S484 PolarHBondContact O-N 3.4Å; I480-S484 PolarHBondContact O-OG 2.82Å; I481-S484 PolarHBondContact O-N 3.34Å; S484-A487 PolarHBondContact O-N 2.97Å; S484-C488 WeakPolarHBondContact O-CB 3.46Å; S484-C488 PolarHBondContact O-N 3.45Å; S484-C488 PolarHBondContact O-SG 3.25Å; S484-C488 VanDerWaalsContact O-SG 3.36Å; S484-F635 VanDerWaalsContact OG-CE2 3.3Å; S484-F635 WeakPolarHBondContact OG-CE2 3.3Å
485	A	97.3	Very high	96.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.7	-37.9	179.3	0	0	0	0	0	113	I481 K482 A483 L489 V509 V511 A529 H530	I481-A485 VanDerWaalsContact O-CB 3.32Å; I481-A485 WeakPolarHBondContact O-CB 3.39Å; I481-A485 PolarHBondContact O-N 2.87Å; K482-A485 PolarHBondContact O-N 3.47Å; A483-A485 VanDerWaalsContact C-N 3.34Å; A485-L489 PolarHBondContact O-N 2.88Å; A485-V509 HydrophobicContact CB-CB 4.42Å; A485-V509 HydrophobicContact CB-CG1 4.2Å; A485-V511 HydrophobicContact CB-CG2 4.31Å; A485-A529 HydrophobicContact CB-CB 4.01Å; A485-H530 HydrophobicContact CB-CB 4.08Å
486	L	97.3	Very high	96.7	Very high	15 Å²	15	21.5 Å²	21.5	8%	0.079	11%	0.109	C	C	.	.	H	α-helix	trans	-72.1	-38.6	173.9	-66.3	177.6	0	0	0	112.2	K482 A483 C488 L489 K490 Y638 M645	K482-L486 HydrophobicContact CD-CD1 4.49Å; K482-L486 HydrophobicContact CD-CG 4.43Å; K482-L486 HydrophobicContact CG-CD1 4.27Å; K482-L486 WeakPolarHBondContact O-CG 3.29Å; K482-L486 PolarHBondContact O-N 3.33Å; A483-L486 PolarHBondContact O-N 3.05Å; L486-C488 VanDerWaalsContact C-N 3.32Å; L486-C488 PolarHBondContact O-N 3Å; L486-L489 HydrophobicContact CD2-CD1 4.44Å; L486-L489 WeakPolarHBondContact O-CB 3.19Å; L486-L489 PolarHBondContact O-N 3.47Å; L486-K490 PolarHBondContact O-N 3.46Å; L486-Y638 HydrophobicContact CB-CD2 4.11Å; L486-Y638 HydrophobicContact CB-CE1 4.23Å; L486-Y638 HydrophobicContact CB-CE2 3.63Å; L486-Y638 HydrophobicContact CD1-CD1 4.22Å; L486-Y638 HydrophobicContact CD1-CE1 3.91Å; L486-M645 HydrophobicContact CD1-CB 3.84Å; L486-M645 HydrophobicContact CD1-CG 4.13Å
487	A	97.4	Very high	96.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.2	-39.8	172.8	0	0	0	0	0	111.8	A483 S484 L489 K490 V491 W631 F635	A483-A487 VanDerWaalsContact O-CB 3.31Å; A483-A487 WeakPolarHBondContact O-CB 3.48Å; A483-A487 PolarHBondContact O-N 3.49Å; S484-A487 PolarHBondContact O-N 2.97Å; A487-L489 VanDerWaalsContact C-N 3.27Å; A487-L489 PolarHBondContact O-N 3.46Å; A487-K490 PolarHBondContact O-N 2.85Å; A487-K490 VanDerWaalsContact O-N 3.15Å; A487-V491 PolarHBondContact O-N 3Å; A487-W631 HydrophobicContact CB-CD2 4.15Å; A487-W631 HydrophobicContact CB-CG 4.3Å; A487-W631 HydrophobicContact CB-CZ2 4.13Å; A487-F635 HydrophobicContact CB-CB 4.03Å
488	C	96.9	Very high	96.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-64.2	-23.4	171.3	-76.4	0	0	0	0	114.3	S484 L486 P492 N495 V509 W631	S484-C488 WeakPolarHBondContact O-CB 3.46Å; S484-C488 PolarHBondContact O-N 3.45Å; S484-C488 PolarHBondContact O-SG 3.25Å; S484-C488 VanDerWaalsContact O-SG 3.36Å; L486-C488 VanDerWaalsContact C-N 3.32Å; L486-C488 PolarHBondContact O-N 3Å; C488-P492 VanDerWaalsContact O-CA 3.3Å; C488-P492 WeakPolarHBondContact O-CA 3.39Å; C488-N495 HydrophobicContact CB-CB 3.96Å; C488-V509 HydrophobicContact CB-CB 4.4Å; C488-V509 HydrophobicContact CB-CG1 3.79Å; C488-V509 HydrophobicContact CB-CG2 3.68Å; C488-W631 PolarHBondContact SG-NE1 3Å
489	L	96.1	Very high	96.5	Very high	80 Å²	80	25.2 Å²	25.2	42%	0.419	12%	0.121	S	C	.	.	H	α-helix	trans	-80.6	-32.1	169.9	-70.5	-175.1	0	0	0	112.7	A485 L486 A487 V509 H530	A485-L489 PolarHBondContact O-N 2.88Å; L486-L489 HydrophobicContact CD2-CD1 4.44Å; L486-L489 WeakPolarHBondContact O-CB 3.19Å; L486-L489 PolarHBondContact O-N 3.47Å; A487-L489 VanDerWaalsContact C-N 3.27Å; A487-L489 PolarHBondContact O-N 3.46Å; L489-V509 HydrophobicContact CD2-CG2 3.97Å; L489-V509 HydrophobicContact CG-CG2 4.28Å; L489-H530 HydrophobicContact CD1-CB 3.9Å; L489-H530 HydrophobicContact CD2-CB 4.45Å; L489-H530 HydrophobicContact CG-CB 4.1Å
490	K	96.1	Very high	96.2	Very high	120 Å²	120	31.2 Å²	31.2	52%	0.522	15%	0.153	S	C	.	.	H	α-helix	trans	-77.7	-35	178	-63	-57.8	-178.3	-170.9	0	112.8	L486 A487 P492 E634 Y638	L486-K490 PolarHBondContact O-N 3.46Å; A487-K490 PolarHBondContact O-N 2.85Å; A487-K490 VanDerWaalsContact O-N 3.15Å; K490-P492 WeakPolarHBondContact O-CD 3.37Å; K490-E634 HydrophobicContact CB-CG 4.3Å; K490-Y638 WeakPolarHBondContact CE-OH 3.25Å; K490-Y638 HydrophobicContact CG-CE2 4.32Å
491	V	97.2	Very high	96.1	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.048	19%	0.191	C	C	.	.	S	Bend	trans	-124.1	75.8	179	-173.3	0	0	0	0	108.4	A487 E493 A494 V627 Q630 W631	A487-V491 PolarHBondContact O-N 3Å; V491-E493 VanDerWaalsContact C-N 3.26Å; V491-E493 PolarHBondContact O-N 3.02Å; V491-A494 HydrophobicContact CG1-CB 4.49Å; V491-A494 WeakPolarHBondContact O-CB 3.3Å; V491-A494 PolarHBondContact O-N 3Å; V491-V627 HydrophobicContact CG1-CG1 3.54Å; V491-Q630 HydrophobicContact CG2-CB 4.13Å; V491-W631 HydrophobicContact CB-CB 4.21Å; V491-W631 HydrophobicContact CG1-CB 4.26Å; V491-W631 HydrophobicContact CG2-CB 4.45Å
492	P	96.5	Very high	96	Very high	42 Å²	42	41.2 Å²	41.2	27%	0.273	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-71.3	-17	-168.6	29	-36.2	0	0	0	114.1	C488 K490 A494 N495 S496 Q505	C488-P492 VanDerWaalsContact O-CA 3.3Å; C488-P492 WeakPolarHBondContact O-CA 3.39Å; K490-P492 WeakPolarHBondContact O-CD 3.37Å; P492-A494 PolarHBondContact O-N 3.29Å; P492-N495 PolarHBondContact O-N 3.5Å; P492-S496 PolarHBondContact O-OG 2.96Å; P492-Q505 HydrophobicContact CB-CG 4.48Å
493	E	95.2	Very high	96	Very high	91 Å²	91	44.1 Å²	44.1	43%	0.425	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-56.1	-39.7	169.4	-70.7	158	-94.8	0	0	111.6	V491 N495 S496 V627	V491-E493 VanDerWaalsContact C-N 3.26Å; V491-E493 PolarHBondContact O-N 3.02Å; E493-N495 PolarHBondContact O-N 3.04Å; E493-S496 WeakPolarHBondContact O-CB 3.31Å; E493-S496 PolarHBondContact O-N 2.73Å; E493-S496 PolarHBondContact O-OG 2.95Å; E493-V627 HydrophobicContact CB-CG1 3.77Å
494	A	95.4	Very high	95.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-68.7	-11.9	177	0	0	0	0	0	114.3	V491 P492 C586 W631	V491-A494 HydrophobicContact CG1-CB 4.49Å; V491-A494 WeakPolarHBondContact O-CB 3.3Å; V491-A494 PolarHBondContact O-N 3Å; P492-A494 PolarHBondContact O-N 3.29Å; A494-C586 PolarHBondContact O-SG 3.04Å; A494-C586 VanDerWaalsContact O-SG 3.36Å; A494-W631 HydrophobicContact CB-CB 4.31Å; A494-W631 VanDerWaalsContact CB-CD1 3.48Å; A494-W631 HydrophobicContact CB-CG 4.01Å
495	N	96.6	Very high	95.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-101.5	28	175.4	-162.1	53.1	0	0	0	112.4	C488 P492 E493 N506 V508 T562	C488-N495 HydrophobicContact CB-CB 3.96Å; P492-N495 PolarHBondContact O-N 3.5Å; E493-N495 PolarHBondContact O-N 3.04Å; N495-N506 PolarHBondContact ND2-O 3.02Å; N495-N506 WeakPolarHBondContact O-CB 3.44Å; N495-N506 PolarHBondContact O-N 2.87Å; N495-N506 PolarHBondContact O-ND2 3.18Å; N495-V508 PolarHBondContact ND2-O 3.34Å; N495-T562 WeakPolarHBondContact OD1-CB 3.31Å; N495-T562 PolarHBondContact OD1-OG1 2.86Å
496	S	96.3	Very high	95.7	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	167.4	-175.9	-51.3	0	0	0	0	113.2	P492 E493 R504 Q505 A585	P492-S496 PolarHBondContact O-OG 2.96Å; E493-S496 WeakPolarHBondContact O-CB 3.31Å; E493-S496 PolarHBondContact O-N 2.73Å; E493-S496 PolarHBondContact O-OG 2.95Å; S496-R504 CarbonylContact C-O 3.58Å; S496-R504 VanDerWaalsContact CA-O 3.24Å; S496-R504 WeakPolarHBondContact CA-O 3.45Å; S496-R504 WeakPolarHBondContact CB-O 3.26Å; S496-Q505 WeakPolarHBondContact OG-CA 3.28Å; S496-A585 WeakPolarHBondContact O-CB 3.47Å; S496-A585 PolarHBondContact O-N 2.96Å
497	S	95.6	Very high	95.6	Very high	6 Å²	6	63 Å²	63	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.1	175.8	-71	0	0	0	0	111	R504 P583	S497-R504 PolarHBondContact N-O 3.19Å; S497-R504 PolarHBondContact O-N 3.5Å; S497-P583 WeakPolarHBondContact CA-O 3.21Å; S497-P583 WeakPolarHBondContact CB-O 3.29Å; S497-P583 PolarHBondContact OG-O 3.28Å
498	W	95.3	Very high	95.6	Very high	77 Å²	77	66 Å²	66	29%	0.292	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	123.1	169.9	-178.1	-86.8	0	0	0	110.1	D500 I503 R621 V622	W498-D500 VanDerWaalsContact CD1-OD1 3.27Å; W498-D500 PolarHBondContact NE1-OD1 3.14Å; W498-I503 HydrophobicContact CE3-CD1 4.38Å; W498-I503 HydrophobicContact CE3-CG1 4.03Å; W498-I503 HydrophobicContact CZ3-CD1 4.31Å; W498-I503 HydrophobicContact CZ3-CG1 4.21Å; W498-R621 VanDerWaalsContact CD1-NH1 3.3Å; W498-R621 HydrophobicContact CD2-CB 4.31Å; W498-R621 HydrophobicContact CE3-CB 3.7Å; W498-R621 HydrophobicContact CZ3-CB 3.83Å; W498-R621 VanDerWaalsContact NE1-NH1 3.17Å; W498-V622 HydrophobicContact CB-CG2 3.9Å; W498-V622 HydrophobicContact CE3-CG2 3.89Å
499	M	93.4	Very high	95.6	Very high	59 Å²	59	66 Å²	66	29%	0.291	33%	0.331	S	S	.	.			trans	-122.5	31.1	-179.6	-61.6	-80.9	177.1	0	0	111.7	T501 V502 R504 P583	M499-T501 PolarHBondContact O-N 3.34Å; M499-T501 PolarHBondContact O-OG1 2.61Å; M499-V502 WeakPolarHBondContact CA-O 3.39Å; M499-V502 HydrophobicContact CB-CG2 4Å; M499-V502 WeakPolarHBondContact CB-O 3.39Å; M499-V502 PolarHBondContact N-O 2.86Å; M499-R504 HydrophobicContact CG-CB 4.02Å; M499-P583 HydrophobicContact CE-CB 4.31Å; M499-P583 HydrophobicContact CE-CG 4.49Å
500	D	90.6	Very high	95.6	Very high	129 Å²	129	63.4 Å²	63.4	69%	0.69	32%	0.317	S	S	*	.	S	Bend	trans	60.6	-48.5	177.7	-60	-52.9	0	0	0	117.1	W498	W498-D500 VanDerWaalsContact CD1-OD1 3.27Å; W498-D500 PolarHBondContact NE1-OD1 3.14Å
501	T	94.8	Very high	95.7	Very high	130 Å²	130	57.7 Å²	57.7	80%	0.798	29%	0.292	S	S	*	.	S	Bend	trans	-89.1	-26.4	172.5	55.4	0	0	0	0	113	M499	M499-T501 PolarHBondContact O-N 3.34Å; M499-T501 PolarHBondContact O-OG1 2.61Å
502	V	96.2	Very high	95.7	Very high	82 Å²	82	57.3 Å²	57.3	50%	0.497	29%	0.29	S	S	.	.			trans	-144.2	154.7	-176.3	-63.3	0	0	0	0	111.6	M499	M499-V502 WeakPolarHBondContact CA-O 3.39Å; M499-V502 HydrophobicContact CB-CG2 4Å; M499-V502 WeakPolarHBondContact CB-O 3.39Å; M499-V502 PolarHBondContact N-O 2.86Å
503	I	96.4	Very high	95.7	Very high	84 Å²	84	56 Å²	56	43%	0.431	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	117.6	163.9	-61.5	177.2	0	0	0	107.4	W498 Q505 V622	W498-I503 HydrophobicContact CE3-CD1 4.38Å; W498-I503 HydrophobicContact CE3-CG1 4.03Å; W498-I503 HydrophobicContact CZ3-CD1 4.31Å; W498-I503 HydrophobicContact CZ3-CG1 4.21Å; I503-Q505 PolarHBondContact O-N 3.38Å; I503-V622 HydrophobicContact CD1-CG2 4.35Å; I503-V622 HydrophobicContact CG1-CG2 4.44Å; I503-V622 HydrophobicContact CG2-CG1 4.04Å; I503-V622 HydrophobicContact CG2-CG2 4.49Å
504	R	95.6	Very high	95.6	Very high	140 Å²	140	52.6 Å²	52.6	53%	0.528	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	101.1	174.8	-179.6	175.8	-63.3	174.3	3.1	109.5	S496 S497 M499	S496-R504 CarbonylContact C-O 3.58Å; S496-R504 VanDerWaalsContact CA-O 3.24Å; S496-R504 WeakPolarHBondContact CA-O 3.45Å; S496-R504 WeakPolarHBondContact CB-O 3.26Å; S497-R504 PolarHBondContact N-O 3.19Å; S497-R504 PolarHBondContact O-N 3.5Å; M499-R504 HydrophobicContact CG-CB 4.02Å
505	Q	96.1	Very high	95.5	Very high	85 Å²	85	53.5 Å²	53.5	40%	0.397	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.8	170.2	-169.3	171.9	36.6	0	0	109.9	P492 S496 I503	P492-Q505 HydrophobicContact CB-CG 4.48Å; S496-Q505 WeakPolarHBondContact OG-CA 3.28Å; I503-Q505 PolarHBondContact O-N 3.38Å
506	N	94.8	Very high	95.2	Very high	36 Å²	36	57.6 Å²	57.6	19%	0.193	30%	0.303	C	S	.	.			trans	-102.7	125.9	-179.4	-51.9	-76.2	0	0	0	110	N495 T562	N495-N506 PolarHBondContact ND2-O 3.02Å; N495-N506 WeakPolarHBondContact O-CB 3.44Å; N495-N506 PolarHBondContact O-N 2.87Å; N495-N506 PolarHBondContact O-ND2 3.18Å; N506-T562 HydrophobicContact CB-CG2 3.79Å
507	H	94.9	Very high	94.8	Very high	150 Å²	150	58.5 Å²	58.5	69%	0.694	31%	0.309	S	S	*	.	S	Bend	trans	-83.8	-22.6	176.3	-58	-56.2	0	0	0	113.1
508	V	96.8	Very high	94.3	Very high	62 Å²	62	64.9 Å²	64.9	38%	0.376	35%	0.35	S	S	.	.	S	Bend	trans	-86.8	136.3	168	164.4	0	0	0	0	108.7	N495	N495-V508 PolarHBondContact ND2-O 3.34Å
509	V	97.4	Very high	93.6	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.006	36%	0.361	C	S	.	.			trans	-106.6	117.3	171.2	-164	0	0	0	0	110.3	A485 C488 L489 V511 A529 H530	A485-V509 HydrophobicContact CB-CB 4.42Å; A485-V509 HydrophobicContact CB-CG1 4.2Å; C488-V509 HydrophobicContact CB-CB 4.4Å; C488-V509 HydrophobicContact CB-CG1 3.79Å; C488-V509 HydrophobicContact CB-CG2 3.68Å; L489-V509 HydrophobicContact CD2-CG2 3.97Å; L489-V509 HydrophobicContact CG-CG2 4.28Å; V509-V511 HydrophobicContact CG1-CG2 4.14Å; V509-A529 PolarHBondContact O-N 3.03Å; V509-H530 HydrophobicContact CB-CB 4.09Å; V509-H530 HydrophobicContact CG2-CB 4.13Å; V509-H530 PolarHBondContact N-ND1 3.42Å; V509-H530 PolarHBondContact O-ND1 3Å
510	D	97.1	Very high	93.2	Very high	26 Å²	26	62.3 Å²	62.3	14%	0.139	36%	0.357	C	S	.	.			trans	-118.4	117	177.4	-70	-31.9	0	0	0	109.1	I525 F527 N528 T562 F563	D510-I525 HydrophobicContact CB-CG2 3.93Å; D510-F527 HydrophobicContact CB-CD1 4.45Å; D510-F527 VanDerWaalsContact OD1-CA 3.24Å; D510-F527 WeakPolarHBondContact OD1-CA 3.32Å; D510-N528 PolarHBondContact OD1-N 3.11Å; D510-T562 HydrophobicContact CB-CG2 4.5Å; D510-T562 PolarHBondContact N-OG1 3.12Å; D510-T562 VanDerWaalsContact N-OG1 3.12Å; D510-T562 PolarHBondContact O-N 3.32Å; D510-T562 PolarHBondContact O-OG1 3.12Å; D510-F563 PolarHBondContact O-N 3.47Å
511	V	97.6	Very high	93	Very high	0 Å²	0	61 Å²	61	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	109.8	-168.1	178.5	0	0	0	0	111	I481 A485 V509 V513 V526 A529 F563 I565	I481-V511 HydrophobicContact CG1-CG1 4.25Å; I481-V511 HydrophobicContact CG2-CB 4.2Å; I481-V511 HydrophobicContact CG2-CG1 4.19Å; I481-V511 HydrophobicContact CG2-CG2 4.37Å; A485-V511 HydrophobicContact CB-CG2 4.31Å; V509-V511 HydrophobicContact CG1-CG2 4.14Å; V511-V513 HydrophobicContact CG1-CG2 4.48Å; V511-V526 PolarHBondContact N-O 3.26Å; V511-V526 VanDerWaalsContact N-O 3.11Å; V511-V526 PolarHBondContact O-N 3.05Å; V511-A529 HydrophobicContact CB-CB 4.24Å; V511-A529 HydrophobicContact CG2-CB 3.83Å; V511-F563 CarbonylContact C-O 3.57Å; V511-F563 WeakPolarHBondContact CA-O 3.29Å; V511-I565 HydrophobicContact CG1-CB 4.5Å; V511-I565 HydrophobicContact CG1-CD1 3.55Å; V511-I565 HydrophobicContact CG1-CG1 3.82Å
512	S	96.9	Very high	92.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.7	169.8	-55	0	0	0	0	110.2	P524 F563 T564 I565 Q584	S512-P524 CarbonylContact C-O 3.47Å; S512-P524 WeakPolarHBondContact CA-O 3.26Å; S512-F563 PolarHBondContact N-O 3.2Å; S512-T564 WeakPolarHBondContact CB-OG1 3.48Å; S512-T564 CarbonylContact O-C 3.59Å; S512-T564 WeakPolarHBondContact O-CA 3.32Å; S512-I565 PolarHBondContact O-N 2.9Å; S512-Q584 PolarHBondContact OG-NE2 2.94Å
513	V	96.4	Very high	92.8	Very high	14 Å²	14	54 Å²	54	9%	0.085	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.5	177.9	-177.8	0	0	0	0	108.9	I481 V511 V515 P524 V526 V541	I481-V513 HydrophobicContact CD1-CG2 3.73Å; I481-V513 HydrophobicContact CG1-CG2 4.23Å; V511-V513 HydrophobicContact CG1-CG2 4.48Å; V513-V515 PolarHBondContact O-N 2.82Å; V513-P524 PolarHBondContact N-O 3.35Å; V513-P524 VanDerWaalsContact O-CD 3.25Å; V513-P524 WeakPolarHBondContact O-CD 3.49Å; V513-V526 HydrophobicContact CG2-CG2 4.01Å; V513-V541 HydrophobicContact CG2-CG2 4.5Å
514	A	94.3	Very high	92.8	Very high	21 Å²	21	50.2 Å²	50.2	17%	0.174	29%	0.285	C	S	.	.			trans	-76	111.8	-177.4	0	0	0	0	0	111.5	L521 T523 I565	A514-L521 HydrophobicContact CB-CD1 4.19Å; A514-T523 HydrophobicContact CB-CG2 4.33Å; A514-I565 WeakPolarHBondContact CB-O 3.12Å; A514-I565 PolarHBondContact N-O 2.89Å
515	V	92.4	Very high	92.8	Very high	19 Å²	19	43.6 Å²	43.6	12%	0.115	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.3	-179.4	-179.5	0	0	0	0	110	V513 T517 I522 P524 A545 A548	V513-V515 PolarHBondContact O-N 2.82Å; V515-T517 HydrophobicContact CG1-CG2 4.32Å; V515-I522 HydrophobicContact CB-CG2 4.39Å; V515-I522 PolarHBondContact N-O 3.42Å; V515-I522 PolarHBondContact O-N 3.23Å; V515-P524 HydrophobicContact CG2-CG 3.77Å; V515-A545 HydrophobicContact CG2-CB 4.46Å; V515-A548 HydrophobicContact CG1-CB 4.19Å
516	S	90.2	Very high	92.9	Very high	85 Å²	85	39.6 Å²	39.6	59%	0.594	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	131.9	172.1	-171.4	0	0	0	0	110.8
517	T	88.7	Confident	93	Very high	23 Å²	23	41.6 Å²	41.6	14%	0.141	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	161.8	175.9	74	0	0	0	0	110.1	V515 A519 G520 I522 A548	V515-T517 HydrophobicContact CG1-CG2 4.32Å; T517-A519 PolarHBondContact O-N 3Å; T517-A519 PolarHBondContact OG1-N 3.49Å; T517-G520 PolarHBondContact N-O 3.44Å; T517-G520 PolarHBondContact O-N 3.24Å; T517-G520 VanDerWaalsContact O-O 3.11Å; T517-G520 PolarHBondContact OG1-N 2.97Å; T517-G520 PolarHBondContact OG1-O 2.96Å; T517-I522 HydrophobicContact CG2-CG2 3.78Å; T517-A548 HydrophobicContact CG2-CB 4.43Å
518	P	84.5	Confident	93	Very high	139 Å²	139	37.3 Å²	37.3	90%	0.903	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-27.7	176.8	-25.3	35.7	0	0	0	114.3
519	A	80.8	Confident	93	Very high	63 Å²	63	34.3 Å²	34.3	52%	0.521	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-23.8	176.9	0	0	0	0	0	113.3	T517	T517-A519 PolarHBondContact O-N 3Å; T517-A519 PolarHBondContact OG1-N 3.49Å
520	G	84.3	Confident	92.9	Very high	20 Å²	20	35.6 Å²	35.6	21%	0.206	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.6	-166.7	-177	0	0	0	0	0	113.4	T517	T517-G520 PolarHBondContact N-O 3.44Å; T517-G520 PolarHBondContact O-N 3.24Å; T517-G520 VanDerWaalsContact O-O 3.11Å; T517-G520 PolarHBondContact OG1-N 2.97Å; T517-G520 PolarHBondContact OG1-O 2.96Å
521	L	87.6	Confident	92.8	Very high	100 Å²	100	40.2 Å²	40.2	52%	0.524	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.1	172.3	-167.2	71.4	0	0	0	109.9	A514	A514-L521 HydrophobicContact CB-CD1 4.19Å
522	I	91.6	Very high	92.8	Very high	42 Å²	42	42.9 Å²	42.9	22%	0.215	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	149.1	171.5	-169.2	159.6	0	0	0	109.7	V515 T517 P524 A548 L553 F558	V515-I522 HydrophobicContact CB-CG2 4.39Å; V515-I522 PolarHBondContact N-O 3.42Å; V515-I522 PolarHBondContact O-N 3.23Å; T517-I522 HydrophobicContact CG2-CG2 3.78Å; I522-P524 VanDerWaalsContact C-CD 3.48Å; I522-P524 WeakPolarHBondContact O-CD 3.35Å; I522-A548 HydrophobicContact CG2-CB 3.84Å; I522-L553 HydrophobicContact CD1-CD1 3.81Å; I522-L553 HydrophobicContact CG1-CD1 4.12Å; I522-F558 HydrophobicContact CD1-CD1 4.28Å; I522-F558 HydrophobicContact CD1-CG 4.34Å; I522-F558 HydrophobicContact CG1-CB 4.31Å; I522-F558 HydrophobicContact CG1-CG 4.4Å
523	T	94.1	Very high	92.7	Very high	24 Å²	24	44.8 Å²	44.8	15%	0.147	27%	0.273	C	S	.	.			trans	-123.8	70.9	-169	51.6	0	0	0	0	111.8	A514	A514-T523 HydrophobicContact CB-CG2 4.33Å
524	P	96.3	Very high	92.6	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.026	28%	0.278	C	S	.	.			trans	-55.9	147.4	171.8	21.7	-33.3	0	0	0	113	S512 V513 V515 I522 L544 L553 E557	S512-P524 CarbonylContact C-O 3.47Å; S512-P524 WeakPolarHBondContact CA-O 3.26Å; V513-P524 PolarHBondContact N-O 3.35Å; V513-P524 VanDerWaalsContact O-CD 3.25Å; V513-P524 WeakPolarHBondContact O-CD 3.49Å; V515-P524 HydrophobicContact CG2-CG 3.77Å; I522-P524 VanDerWaalsContact C-CD 3.48Å; I522-P524 WeakPolarHBondContact O-CD 3.35Å; P524-L544 HydrophobicContact CB-CB 3.8Å; P524-L544 HydrophobicContact CB-CD1 4.31Å; P524-L544 HydrophobicContact CB-CD2 4.29Å; P524-L544 HydrophobicContact CB-CG 4.36Å; P524-L544 HydrophobicContact CG-CB 4.36Å; P524-L553 HydrophobicContact CB-CD1 4Å; P524-L553 HydrophobicContact CB-CD2 4.39Å; P524-L553 HydrophobicContact CG-CD1 4.38Å; P524-E557 CarbonylContact C-O 3.55Å; P524-E557 VanDerWaalsContact CA-O 3.26Å; P524-E557 WeakPolarHBondContact CA-O 3.44Å
525	I	96.7	Very high	92.6	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.5	-171.9	-58.9	159.8	0	0	0	111	D510 F527 L544 E557 Q559	D510-I525 HydrophobicContact CB-CG2 3.93Å; I525-F527 HydrophobicContact CB-CE1 4.32Å; I525-F527 HydrophobicContact CB-CE2 4.12Å; I525-F527 HydrophobicContact CB-CZ 3.98Å; I525-F527 HydrophobicContact CD1-CZ 4.25Å; I525-F527 HydrophobicContact CG2-CD1 3.86Å; I525-F527 HydrophobicContact CG2-CD2 4.33Å; I525-F527 HydrophobicContact CG2-CE1 3.7Å; I525-F527 HydrophobicContact CG2-CE2 4.19Å; I525-F527 HydrophobicContact CG2-CG 4.17Å; I525-F527 HydrophobicContact CG2-CZ 3.87Å; I525-F527 PolarHBondContact O-N 3.49Å; I525-L544 WeakPolarHBondContact O-CD1 3.3Å; I525-E557 PolarHBondContact N-O 2.85Å; I525-Q559 WeakPolarHBondContact CD1-O 3.44Å
526	V	97.3	Very high	92.7	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	91.8	167.7	-175	0	0	0	0	108.6	V511 V513 A529 I537 V541 L544	V511-V526 PolarHBondContact N-O 3.26Å; V511-V526 VanDerWaalsContact N-O 3.11Å; V511-V526 PolarHBondContact O-N 3.05Å; V513-V526 HydrophobicContact CG2-CG2 4.01Å; V526-A529 HydrophobicContact CG1-CB 4.12Å; V526-I537 HydrophobicContact CG1-CG1 4.45Å; V526-V541 HydrophobicContact CG2-CG2 3.59Å; V526-L544 HydrophobicContact CG2-CD1 4.5Å
527	F	96.4	Very high	93.1	Very high	78 Å²	78	46.5 Å²	46.5	34%	0.342	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	140.8	178.9	-65.5	-75.9	0	0	0	112.7	D510 I525 A529 K532 H556	D510-F527 HydrophobicContact CB-CD1 4.45Å; D510-F527 VanDerWaalsContact OD1-CA 3.24Å; D510-F527 WeakPolarHBondContact OD1-CA 3.32Å; I525-F527 HydrophobicContact CB-CE1 4.32Å; I525-F527 HydrophobicContact CB-CE2 4.12Å; I525-F527 HydrophobicContact CB-CZ 3.98Å; I525-F527 HydrophobicContact CD1-CZ 4.25Å; I525-F527 HydrophobicContact CG2-CD1 3.86Å; I525-F527 HydrophobicContact CG2-CD2 4.33Å; I525-F527 HydrophobicContact CG2-CE1 3.7Å; I525-F527 HydrophobicContact CG2-CE2 4.19Å; I525-F527 HydrophobicContact CG2-CG 4.17Å; I525-F527 HydrophobicContact CG2-CZ 3.87Å; I525-F527 PolarHBondContact O-N 3.49Å; F527-A529 PolarHBondContact O-N 3.42Å; F527-K532 WeakPolarHBondContact O-CD 3.45Å; F527-K532 WeakPolarHBondContact O-CE 3.12Å; F527-K532 PolarHBondContact O-NZ 3.33Å; F527-H556 WeakPolarHBondContact CZ-O 3.44Å
528	N	96.4	Very high	93.4	Very high	59 Å²	59	45.5 Å²	45.5	32%	0.316	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	37.6	177.5	-66.9	-79.1	0	0	0	113.9	D510 H530 I531 K532	D510-N528 PolarHBondContact OD1-N 3.11Å; N528-H530 PolarHBondContact O-N 3.03Å; N528-H530 VanDerWaalsContact O-N 3.11Å; N528-H530 PolarHBondContact OD1-CE1 3.29Å; N528-I531 HydrophobicContact CB-CD1 4.33Å; N528-I531 HydrophobicContact CB-CG1 4.42Å; N528-I531 PolarHBondContact O-N 2.73Å; N528-K532 PolarHBondContact O-N 3.03Å; N528-K532 VanDerWaalsContact O-N 3.17Å
529	A	96.5	Very high	93.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.1	-179.2	0	0	0	0	0	113.3	I481 A485 V509 V511 V526 F527	I481-A529 HydrophobicContact CG2-CB 3.89Å; A485-A529 HydrophobicContact CB-CB 4.01Å; V509-A529 PolarHBondContact O-N 3.03Å; V511-A529 HydrophobicContact CB-CB 4.24Å; V511-A529 HydrophobicContact CG2-CB 3.83Å; V526-A529 HydrophobicContact CG1-CB 4.12Å; F527-A529 PolarHBondContact O-N 3.42Å
530	H	94.8	Very high	94.6	Very high	28 Å²	28	41.5 Å²	41.5	13%	0.13	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-36.1	175.3	65.6	-73.8	0	0	0	113	K482 A485 L489 V509 N528	K482-H530 PolarHBondContact NZ-O 3.05Å; A485-H530 HydrophobicContact CB-CB 4.08Å; L489-H530 HydrophobicContact CD1-CB 3.9Å; L489-H530 HydrophobicContact CD2-CB 4.45Å; L489-H530 HydrophobicContact CG-CB 4.1Å; V509-H530 HydrophobicContact CB-CB 4.09Å; V509-H530 HydrophobicContact CG2-CB 4.13Å; V509-H530 PolarHBondContact N-ND1 3.42Å; V509-H530 PolarHBondContact O-ND1 3Å; N528-H530 PolarHBondContact O-N 3.03Å; N528-H530 VanDerWaalsContact O-N 3.11Å; N528-H530 PolarHBondContact OD1-CE1 3.29Å
531	I	96	Very high	95.2	Very high	122 Å²	122	41.8 Å²	41.8	63%	0.626	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-45.5	177.9	-46.5	-176.9	0	0	0	111.1	N528	N528-I531 HydrophobicContact CB-CD1 4.33Å; N528-I531 HydrophobicContact CB-CG1 4.42Å; N528-I531 PolarHBondContact O-N 2.73Å
532	K	95.8	Very high	95.5	Very high	56 Å²	56	41.6 Å²	41.6	24%	0.243	23%	0.228	C	C	.	.	S	Bend	trans	-59.3	149.5	-169.5	-73.1	175.4	174.3	172.9	0	114.1	K482 F527 N528 T536 I537 D540	K482-K532 PolarHBondContact NZ-O 3.15Å; F527-K532 WeakPolarHBondContact O-CD 3.45Å; F527-K532 WeakPolarHBondContact O-CE 3.12Å; F527-K532 PolarHBondContact O-NZ 3.33Å; N528-K532 PolarHBondContact O-N 3.03Å; N528-K532 VanDerWaalsContact O-N 3.17Å; K532-T536 HydrophobicContact CD-CG2 4.08Å; K532-T536 HydrophobicContact CG-CG2 4.2Å; K532-I537 HydrophobicContact CB-CD1 4.21Å; K532-I537 HydrophobicContact CB-CG1 3.81Å; K532-D540 WeakPolarHBondContact CD-OD2 3.49Å; K532-D540 WeakPolarHBondContact CE-OD2 3.35Å; K532-D540 IonicContact NZ-OD2 2.68Å; K532-D540 PolarHBondContact NZ-OD2 3.36Å
533	G	94.9	Very high	95.7	Very high	40 Å²	40	42.5 Å²	42.5	41%	0.412	24%	0.239	S	C	.	.			trans	-80.2	161	170.9	0	0	0	0	0	112.4	E535 T536 I537	G533-E535 VanDerWaalsContact C-N 3.32Å; G533-E535 PolarHBondContact O-N 3.29Å; G533-T536 PolarHBondContact O-N 3.28Å; G533-T536 VanDerWaalsContact O-N 3.15Å; G533-I537 WeakPolarHBondContact O-CG1 3.4Å; G533-I537 PolarHBondContact O-N 2.69Å
534	L	94.4	Very high	95.8	Very high	37 Å²	37	42.2 Å²	42.2	19%	0.194	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-37.5	-175.9	-68.4	172.3	0	0	0	113.5	L464 I474 D478 F479 K482 I537 A538	L464-L534 HydrophobicContact CD1-CD1 4.33Å; I474-L534 HydrophobicContact CD1-CB 4.15Å; D478-L534 WeakPolarHBondContact O-CD2 3.46Å; F479-L534 HydrophobicContact CD1-CD1 3.9Å; F479-L534 HydrophobicContact CD1-CD2 4.4Å; F479-L534 HydrophobicContact CE1-CD1 3.62Å; F479-L534 HydrophobicContact CG-CD2 4.5Å; F479-L534 HydrophobicContact CZ-CD1 4.09Å; K482-L534 HydrophobicContact CB-CD2 3.71Å; K482-L534 HydrophobicContact CG-CD2 4.17Å; L534-I537 PolarHBondContact O-N 2.66Å; L534-A538 WeakPolarHBondContact O-CB 3.3Å; L534-A538 PolarHBondContact O-N 3.37Å
535	E	94.8	Very high	95.7	Very high	70 Å²	70	42.7 Å²	42.7	33%	0.327	24%	0.24	S	C	.	.	H	α-helix	trans	-65.7	-42	176.5	-179.1	169.8	-151.1	0	0	111.9	S472 G533 A538 N539	S472-E535 WeakPolarHBondContact CB-OE1 3.19Å; S472-E535 WeakPolarHBondContact OG-CG 3.37Å; S472-E535 PolarHBondContact OG-OE1 3.48Å; G533-E535 VanDerWaalsContact C-N 3.32Å; G533-E535 PolarHBondContact O-N 3.29Å; E535-A538 PolarHBondContact O-N 3.26Å; E535-N539 WeakPolarHBondContact O-CB 3.33Å; E535-N539 PolarHBondContact O-N 3.09Å; E535-N539 PolarHBondContact O-ND2 3.33Å
536	T	95.9	Very high	95.6	Very high	69 Å²	69	44.4 Å²	44.4	42%	0.423	26%	0.255	S	S	.	.	H	α-helix	trans	-63.3	-44.8	175.1	-42.4	0	0	0	0	111.1	K532 G533 N539 D540	K532-T536 HydrophobicContact CD-CG2 4.08Å; K532-T536 HydrophobicContact CG-CG2 4.2Å; G533-T536 PolarHBondContact O-N 3.28Å; G533-T536 VanDerWaalsContact O-N 3.15Å; T536-N539 PolarHBondContact O-N 3.44Å; T536-D540 WeakPolarHBondContact O-CB 3.46Å; T536-D540 VanDerWaalsContact O-CG 3.24Å; T536-D540 PolarHBondContact O-N 3.27Å
537	I	96.9	Very high	95.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-47.2	177.2	-68.3	167.1	0	0	0	110.7	D478 I481 K482 V526 K532 G533 L534 N539 D540 V541	D478-I537 HydrophobicContact CB-CG2 4.1Å; I481-I537 HydrophobicContact CB-CG2 4.06Å; I481-I537 HydrophobicContact CD1-CG2 3.94Å; I481-I537 HydrophobicContact CG2-CD1 4.39Å; I481-I537 HydrophobicContact CG2-CG2 3.79Å; K482-I537 HydrophobicContact CB-CD1 4.16Å; K482-I537 HydrophobicContact CD-CD1 4.1Å; V526-I537 HydrophobicContact CG1-CG1 4.45Å; K532-I537 HydrophobicContact CB-CD1 4.21Å; K532-I537 HydrophobicContact CB-CG1 3.81Å; G533-I537 WeakPolarHBondContact O-CG1 3.4Å; G533-I537 PolarHBondContact O-N 2.69Å; L534-I537 PolarHBondContact O-N 2.66Å; I537-N539 PolarHBondContact O-N 3.26Å; I537-D540 PolarHBondContact O-N 3.03Å; I537-V541 HydrophobicContact CG2-CG2 4.32Å; I537-V541 WeakPolarHBondContact O-CB 3.45Å; I537-V541 WeakPolarHBondContact O-CG2 3.48Å; I537-V541 PolarHBondContact O-N 3.08Å
538	A	95.6	Very high	95.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-44.1	178.7	0	0	0	0	0	112.1	D478 L534 E535 V541 V542	D478-A538 HydrophobicContact CB-CB 4.42Å; L534-A538 WeakPolarHBondContact O-CB 3.3Å; L534-A538 PolarHBondContact O-N 3.37Å; E535-A538 PolarHBondContact O-N 3.26Å; A538-V541 PolarHBondContact O-N 3.3Å; A538-V542 WeakPolarHBondContact O-CB 3.48Å; A538-V542 VanDerWaalsContact O-CG2 3.29Å; A538-V542 WeakPolarHBondContact O-CG2 3.49Å; A538-V542 PolarHBondContact O-N 3.37Å
539	N	95.6	Very high	95	Very high	73 Å²	73	49.9 Å²	49.9	39%	0.39	27%	0.272	S	S	.	.	H	α-helix	trans	-70.7	-38.2	-179.9	-71.2	-26.4	0	0	0	112.5	S472 E535 T536 I537 S543	S472-N539 PolarHBondContact OG-ND2 3.06Å; E535-N539 WeakPolarHBondContact O-CB 3.33Å; E535-N539 PolarHBondContact O-N 3.09Å; E535-N539 PolarHBondContact O-ND2 3.33Å; T536-N539 PolarHBondContact O-N 3.44Å; I537-N539 PolarHBondContact O-N 3.26Å; N539-S543 VanDerWaalsContact O-CB 3.29Å; N539-S543 WeakPolarHBondContact O-CB 3.46Å; N539-S543 PolarHBondContact O-N 2.66Å
540	D	95.9	Very high	94.8	Very high	46 Å²	46	55.3 Å²	55.3	25%	0.246	30%	0.297	C	S	.	.	H	α-helix	trans	-59.7	-49.5	170.8	-74.4	-19.5	0	0	0	111.1	K532 T536 I537 V542 S543 L544	K532-D540 WeakPolarHBondContact CD-OD2 3.49Å; K532-D540 WeakPolarHBondContact CE-OD2 3.35Å; K532-D540 IonicContact NZ-OD2 2.68Å; K532-D540 PolarHBondContact NZ-OD2 3.36Å; T536-D540 WeakPolarHBondContact O-CB 3.46Å; T536-D540 VanDerWaalsContact O-CG 3.24Å; T536-D540 PolarHBondContact O-N 3.27Å; I537-D540 PolarHBondContact O-N 3.03Å; D540-V542 PolarHBondContact O-N 3.26Å; D540-S543 PolarHBondContact O-N 2.99Å; D540-L544 WeakPolarHBondContact O-CB 3.36Å; D540-L544 VanDerWaalsContact O-CG 3.28Å; D540-L544 WeakPolarHBondContact O-CG 3.49Å; D540-L544 PolarHBondContact O-N 2.91Å
541	V	96	Very high	94.6	Very high	25 Å²	25	57.2 Å²	57.2	15%	0.152	32%	0.324	C	S	.	.	H	α-helix	trans	-62	-43.2	-179.6	169.6	0	0	0	0	111.5	I481 V513 V526 I537 A538 A545	I481-V541 HydrophobicContact CD1-CG2 3.61Å; V513-V541 HydrophobicContact CG2-CG2 4.5Å; V526-V541 HydrophobicContact CG2-CG2 3.59Å; I537-V541 HydrophobicContact CG2-CG2 4.32Å; I537-V541 WeakPolarHBondContact O-CB 3.45Å; I537-V541 WeakPolarHBondContact O-CG2 3.48Å; I537-V541 PolarHBondContact O-N 3.08Å; A538-V541 PolarHBondContact O-N 3.3Å; V541-A545 WeakPolarHBondContact O-CB 3.42Å; V541-A545 PolarHBondContact O-N 2.91Å
542	V	94.8	Very high	94.5	Very high	96 Å²	96	57.3 Å²	57.3	58%	0.582	32%	0.32	S	S	*	.	H	α-helix	trans	-65	-44.3	177.3	169.3	0	0	0	0	111.3	A538 D540 A545 A546	A538-V542 WeakPolarHBondContact O-CB 3.48Å; A538-V542 VanDerWaalsContact O-CG2 3.29Å; A538-V542 WeakPolarHBondContact O-CG2 3.49Å; A538-V542 PolarHBondContact O-N 3.37Å; D540-V542 PolarHBondContact O-N 3.26Å; V542-A545 PolarHBondContact O-N 2.88Å; V542-A546 PolarHBondContact O-N 3.09Å
543	S	95.4	Very high	94.4	Very high	62 Å²	62	55.5 Å²	55.5	43%	0.434	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-50.4	177.2	-178.3	0	0	0	0	111.9	N539 D540 A545 A546 K547	N539-S543 VanDerWaalsContact O-CB 3.29Å; N539-S543 WeakPolarHBondContact O-CB 3.46Å; N539-S543 PolarHBondContact O-N 2.66Å; D540-S543 PolarHBondContact O-N 2.99Å; S543-A545 PolarHBondContact O-N 2.92Å; S543-A546 PolarHBondContact O-N 2.84Å; S543-K547 WeakPolarHBondContact O-CG 3.15Å; S543-K547 PolarHBondContact O-N 3.2Å
544	L	95.7	Very high	94.3	Very high	17 Å²	17	58.4 Å²	58.4	9%	0.089	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-38.1	178.7	-71.2	167.2	0	0	0	112.2	P524 I525 V526 D540 K547 A548 L553 E557	P524-L544 HydrophobicContact CB-CB 3.8Å; P524-L544 HydrophobicContact CB-CD1 4.31Å; P524-L544 HydrophobicContact CB-CD2 4.29Å; P524-L544 HydrophobicContact CB-CG 4.36Å; P524-L544 HydrophobicContact CG-CB 4.36Å; I525-L544 WeakPolarHBondContact O-CD1 3.3Å; V526-L544 HydrophobicContact CG2-CD1 4.5Å; D540-L544 WeakPolarHBondContact O-CB 3.36Å; D540-L544 VanDerWaalsContact O-CG 3.28Å; D540-L544 WeakPolarHBondContact O-CG 3.49Å; D540-L544 PolarHBondContact O-N 2.91Å; L544-K547 PolarHBondContact O-N 3.32Å; L544-A548 VanDerWaalsContact O-CB 3.26Å; L544-A548 WeakPolarHBondContact O-CB 3.38Å; L544-A548 PolarHBondContact O-N 2.94Å; L544-L553 HydrophobicContact CD2-CD2 3.69Å; L544-E557 HydrophobicContact CD2-CB 4.22Å; L544-E557 HydrophobicContact CD2-CG 4.37Å; L544-E557 WeakPolarHBondContact CD2-OE1 3.23Å
545	A	93.6	Very high	94.2	Very high	14 Å²	14	59.9 Å²	59.9	12%	0.116	33%	0.328	C	S	.	.	H	α-helix	trans	-69.5	-30	176.3	0	0	0	0	0	113.1	V515 V541 V542 S543 R549	V515-A545 HydrophobicContact CG2-CB 4.46Å; V541-A545 WeakPolarHBondContact O-CB 3.42Å; V541-A545 PolarHBondContact O-N 2.91Å; V542-A545 PolarHBondContact O-N 2.88Å; S543-A545 PolarHBondContact O-N 2.92Å; A545-R549 WeakPolarHBondContact O-CD 3.29Å; A545-R549 VanDerWaalsContact O-CG 3.3Å; A545-R549 WeakPolarHBondContact O-CG 3.45Å; A545-R549 PolarHBondContact O-N 3.28Å
546	A	94.3	Very high	94.1	Very high	37 Å²	37	62.4 Å²	62.4	31%	0.306	34%	0.339	S	S	.	.	H	α-helix	trans	-67.3	-54.2	170	0	0	0	0	0	110.7	V542 S543 A548 R549 E550	V542-A546 PolarHBondContact O-N 3.09Å; S543-A546 PolarHBondContact O-N 2.84Å; A546-A548 PolarHBondContact O-N 3.5Å; A546-R549 PolarHBondContact O-N 2.76Å; A546-R549 VanDerWaalsContact O-N 3.11Å; A546-E550 WeakPolarHBondContact O-CG 3.23Å; A546-E550 PolarHBondContact O-N 2.9Å
547	K	94.8	Very high	94	Very high	72 Å²	72	60 Å²	60	31%	0.313	32%	0.323	S	S	.	.	H	α-helix	trans	-52.4	-40.2	174.1	-68.8	-177.1	-175.9	-172.2	0	112.7	S543 L544 E550 G551 K552 L553 E557	S543-K547 WeakPolarHBondContact O-CG 3.15Å; S543-K547 PolarHBondContact O-N 3.2Å; L544-K547 PolarHBondContact O-N 3.32Å; K547-E550 PolarHBondContact O-N 3.39Å; K547-G551 PolarHBondContact O-N 3.42Å; K547-K552 PolarHBondContact O-N 3.4Å; K547-L553 HydrophobicContact CB-CD2 3.6Å; K547-L553 HydrophobicContact CB-CG 3.85Å; K547-L553 HydrophobicContact CD-CD2 3.94Å; K547-L553 HydrophobicContact CG-CD2 4.47Å; K547-E557 IonicContact NZ-OE1 2.66Å; K547-E557 PolarHBondContact NZ-OE1 3.22Å; K547-E557 IonicContact NZ-OE2 3.66Å; K547-E557 PolarHBondContact NZ-OE2 2.92Å
548	A	93.3	Very high	93.7	Very high	6 Å²	6	63 Å²	63	5%	0.05	34%	0.336	C	S	.	.	H	α-helix	trans	-61.3	-48.2	178.7	0	0	0	0	0	112.2	V515 T517 I522 L544 A546 E550 G551 L553	V515-A548 HydrophobicContact CG1-CB 4.19Å; T517-A548 HydrophobicContact CG2-CB 4.43Å; I522-A548 HydrophobicContact CG2-CB 3.84Å; L544-A548 VanDerWaalsContact O-CB 3.26Å; L544-A548 WeakPolarHBondContact O-CB 3.38Å; L544-A548 PolarHBondContact O-N 2.94Å; A546-A548 PolarHBondContact O-N 3.5Å; A548-E550 VanDerWaalsContact C-N 3.32Å; A548-G551 PolarHBondContact O-N 3.44Å; A548-L553 HydrophobicContact CB-CD1 3.71Å; A548-L553 HydrophobicContact CB-CG 4.34Å
549	R	90.6	Very high	93.4	Very high	177 Å²	177	68.3 Å²	68.3	67%	0.668	36%	0.361	S	S	*	.	H	α-helix	trans	-68.9	-31.6	179.2	-68.8	167.3	-176.5	162.2	2.7	112.5	A545 A546 G551	A545-R549 WeakPolarHBondContact O-CD 3.29Å; A545-R549 VanDerWaalsContact O-CG 3.3Å; A545-R549 WeakPolarHBondContact O-CG 3.45Å; A545-R549 PolarHBondContact O-N 3.28Å; A546-R549 PolarHBondContact O-N 2.76Å; A546-R549 VanDerWaalsContact O-N 3.11Å; R549-G551 VanDerWaalsContact C-N 3.33Å
550	E	92.9	Very high	93	Very high	114 Å²	114	66.9 Å²	66.9	53%	0.533	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-6.4	175.9	-68.1	178.8	-138.6	0	0	113.9	A546 K547 A548 K552	A546-E550 WeakPolarHBondContact O-CG 3.23Å; A546-E550 PolarHBondContact O-N 2.9Å; K547-E550 PolarHBondContact O-N 3.39Å; A548-E550 VanDerWaalsContact C-N 3.32Å; E550-K552 VanDerWaalsContact C-N 3.3Å; E550-K552 HydrophobicContact CB-CD 3.98Å; E550-K552 HydrophobicContact CB-CG 4.06Å; E550-K552 PolarHBondContact O-N 2.98Å; E550-K552 WeakPolarHBondContact OE2-CD 3.48Å; E550-K552 VanDerWaalsContact OE2-CE 3.31Å; E550-K552 WeakPolarHBondContact OE2-CE 3.47Å; E550-K552 IonicContact OE2-NZ 2.66Å; E550-K552 PolarHBondContact OE2-NZ 3.24Å
551	G	90.1	Very high	92.7	Very high	68 Å²	68	65.4 Å²	65.4	70%	0.701	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	19	-177.3	0	0	0	0	0	114.8	K547 A548 R549	K547-G551 PolarHBondContact O-N 3.42Å; A548-G551 PolarHBondContact O-N 3.44Å; R549-G551 VanDerWaalsContact C-N 3.33Å
552	K	93.2	Very high	92.7	Very high	124 Å²	124	64.8 Å²	64.8	54%	0.539	36%	0.356	S	S	.	.			trans	-101.1	3.8	-172.4	-64.8	175.8	-174.3	167.1	0	114.8	K547 E550 Q554	K547-K552 PolarHBondContact O-N 3.4Å; E550-K552 VanDerWaalsContact C-N 3.3Å; E550-K552 HydrophobicContact CB-CD 3.98Å; E550-K552 HydrophobicContact CB-CG 4.06Å; E550-K552 PolarHBondContact O-N 2.98Å; E550-K552 WeakPolarHBondContact OE2-CD 3.48Å; E550-K552 VanDerWaalsContact OE2-CE 3.31Å; E550-K552 WeakPolarHBondContact OE2-CE 3.47Å; E550-K552 IonicContact OE2-NZ 2.66Å; E550-K552 PolarHBondContact OE2-NZ 3.24Å; K552-Q554 PolarHBondContact O-N 3.15Å; K552-Q554 PolarHBondContact O-NE2 2.86Å
553	L	93	Very high	92.8	Very high	17 Å²	17	60.2 Å²	60.2	9%	0.089	33%	0.328	C	S	.	.			trans	-62.3	134.2	176.5	-77	175.3	0	0	0	111.2	I522 P524 L544 K547 A548 E557 F558	I522-L553 HydrophobicContact CD1-CD1 3.81Å; I522-L553 HydrophobicContact CG1-CD1 4.12Å; P524-L553 HydrophobicContact CB-CD1 4Å; P524-L553 HydrophobicContact CB-CD2 4.39Å; P524-L553 HydrophobicContact CG-CD1 4.38Å; L544-L553 HydrophobicContact CD2-CD2 3.69Å; K547-L553 HydrophobicContact CB-CD2 3.6Å; K547-L553 HydrophobicContact CB-CG 3.85Å; K547-L553 HydrophobicContact CD-CD2 3.94Å; K547-L553 HydrophobicContact CG-CD2 4.47Å; A548-L553 HydrophobicContact CB-CD1 3.71Å; A548-L553 HydrophobicContact CB-CG 4.34Å; L553-E557 WeakPolarHBondContact CA-OE2 3.42Å; L553-E557 HydrophobicContact CD2-CB 3.9Å; L553-F558 HydrophobicContact CB-CD1 3.99Å; L553-F558 HydrophobicContact CB-CE1 4.38Å
554	Q	93.8	Very high	92.9	Very high	101 Å²	101	57.4 Å²	57.4	47%	0.472	31%	0.308	S	S	.	.			trans	-77.1	152.3	173.9	-59.8	-56.7	-61.1	0	0	111	K552 H556 E557 F558	K552-Q554 PolarHBondContact O-N 3.15Å; K552-Q554 PolarHBondContact O-NE2 2.86Å; Q554-H556 VanDerWaalsContact CB-CE1 3.46Å; Q554-H556 WeakPolarHBondContact CB-CE1 3.24Å; Q554-H556 PolarHBondContact O-N 2.94Å; Q554-H556 VanDerWaalsContact O-N 3.14Å; Q554-E557 HydrophobicContact CB-CG 4.15Å; Q554-E557 PolarHBondContact N-OE2 3.39Å; Q554-E557 WeakPolarHBondContact O-CB 3.31Å; Q554-E557 PolarHBondContact O-N 3.32Å; Q554-F558 WeakPolarHBondContact O-CD1 3.42Å; Q554-F558 WeakPolarHBondContact O-CE1 3.32Å
555	P	92.1	Very high	93	Very high	69 Å²	69	56.6 Å²	56.6	45%	0.448	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-50.2	-41.4	180	-31.2	37.1	0	0	0	114.3	E557 F558 Q559	P555-E557 VanDerWaalsContact C-N 3.27Å; P555-E557 PolarHBondContact O-N 3.05Å; P555-F558 PolarHBondContact O-N 3.05Å; P555-Q559 VanDerWaalsContact O-CB 3.29Å; P555-Q559 WeakPolarHBondContact O-CB 3.37Å; P555-Q559 WeakPolarHBondContact O-CG 3.48Å; P555-Q559 PolarHBondContact O-N 2.79Å
556	H	92.6	Very high	93.1	Very high	123 Å²	123	56.8 Å²	56.8	57%	0.569	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-67.8	-22.7	178.2	66.4	-100.7	0	0	0	113.5	F527 Q554 F558	F527-H556 WeakPolarHBondContact CZ-O 3.44Å; Q554-H556 VanDerWaalsContact CB-CE1 3.46Å; Q554-H556 WeakPolarHBondContact CB-CE1 3.24Å; Q554-H556 PolarHBondContact O-N 2.94Å; Q554-H556 VanDerWaalsContact O-N 3.14Å; H556-F558 VanDerWaalsContact C-N 3.27Å; H556-F558 PolarHBondContact O-N 2.86Å
557	E	93.6	Very high	93.1	Very high	17 Å²	17	57.1 Å²	57.1	8%	0.079	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-76	-12.7	179.5	-61.8	-176.9	108.1	0	0	113	P524 I525 L544 K547 L553 Q554 P555	P524-E557 CarbonylContact C-O 3.55Å; P524-E557 VanDerWaalsContact CA-O 3.26Å; P524-E557 WeakPolarHBondContact CA-O 3.44Å; I525-E557 PolarHBondContact N-O 2.85Å; L544-E557 HydrophobicContact CD2-CB 4.22Å; L544-E557 HydrophobicContact CD2-CG 4.37Å; L544-E557 WeakPolarHBondContact CD2-OE1 3.23Å; K547-E557 IonicContact NZ-OE1 2.66Å; K547-E557 PolarHBondContact NZ-OE1 3.22Å; K547-E557 IonicContact NZ-OE2 3.66Å; K547-E557 PolarHBondContact NZ-OE2 2.92Å; L553-E557 WeakPolarHBondContact CA-OE2 3.42Å; L553-E557 HydrophobicContact CD2-CB 3.9Å; Q554-E557 HydrophobicContact CB-CG 4.15Å; Q554-E557 PolarHBondContact N-OE2 3.39Å; Q554-E557 WeakPolarHBondContact O-CB 3.31Å; Q554-E557 PolarHBondContact O-N 3.32Å; P555-E557 VanDerWaalsContact C-N 3.27Å; P555-E557 PolarHBondContact O-N 3.05Å
558	F	91.5	Very high	93.1	Very high	64 Å²	64	56.2 Å²	56.2	28%	0.281	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	2	-179.6	66.6	-95.8	0	0	0	115.3	I522 L553 Q554 P555 H556	I522-F558 HydrophobicContact CD1-CD1 4.28Å; I522-F558 HydrophobicContact CD1-CG 4.34Å; I522-F558 HydrophobicContact CG1-CB 4.31Å; I522-F558 HydrophobicContact CG1-CG 4.4Å; L553-F558 HydrophobicContact CB-CD1 3.99Å; L553-F558 HydrophobicContact CB-CE1 4.38Å; Q554-F558 WeakPolarHBondContact O-CD1 3.42Å; Q554-F558 WeakPolarHBondContact O-CE1 3.32Å; P555-F558 PolarHBondContact O-N 3.05Å; H556-F558 VanDerWaalsContact C-N 3.27Å; H556-F558 PolarHBondContact O-N 2.86Å
559	Q	89.8	Confident	93	Very high	112 Å²	112	56.9 Å²	56.9	52%	0.523	31%	0.307	S	S	.	.	S	Bend	trans	-106	124.3	174.4	-65.7	179.4	25.1	0	0	110.4	I525 P555	I525-Q559 WeakPolarHBondContact CD1-O 3.44Å; P555-Q559 VanDerWaalsContact O-CB 3.29Å; P555-Q559 WeakPolarHBondContact O-CB 3.37Å; P555-Q559 WeakPolarHBondContact O-CG 3.48Å; P555-Q559 PolarHBondContact O-N 2.79Å
560	G	86.7	Confident	93	Very high	43 Å²	43	55.6 Å²	55.6	44%	0.443	31%	0.31	S	S	.	.			trans	101.6	-137	-172	0	0	0	0	0	112	Q584	G560-Q584 PolarHBondContact O-NE2 2.91Å
561	G	89.9	Confident	93	Very high	15 Å²	15	56.6 Å²	56.6	16%	0.155	31%	0.313	C	S	.	.			trans	75	149.2	-165.1	0	0	0	0	0	111.6	Q584	G561-Q584 WeakPolarHBondContact O-CG 3.34Å; G561-Q584 PolarHBondContact O-NE2 2.8Å
562	T	95.6	Very high	93.1	Very high	13 Å²	13	55.8 Å²	55.8	8%	0.08	30%	0.304	C	S	.	.	S	Bend	trans	-99.4	-23.1	-177.5	63.3	0	0	0	0	112.8	N495 N506 D510	N495-T562 WeakPolarHBondContact OD1-CB 3.31Å; N495-T562 PolarHBondContact OD1-OG1 2.86Å; N506-T562 HydrophobicContact CB-CG2 3.79Å; D510-T562 HydrophobicContact CB-CG2 4.5Å; D510-T562 PolarHBondContact N-OG1 3.12Å; D510-T562 VanDerWaalsContact N-OG1 3.12Å; D510-T562 PolarHBondContact O-N 3.32Å; D510-T562 PolarHBondContact O-OG1 3.12Å
563	F	97	Very high	93.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	139.9	-176.4	-170	-90	0	0	0	110.9	D510 V511 S512 I565 C586 L588 L616 W631	D510-F563 PolarHBondContact O-N 3.47Å; V511-F563 CarbonylContact C-O 3.57Å; V511-F563 WeakPolarHBondContact CA-O 3.29Å; S512-F563 PolarHBondContact N-O 3.2Å; F563-I565 HydrophobicContact CD1-CG1 4.04Å; F563-I565 HydrophobicContact CE1-CG1 3.86Å; F563-C586 HydrophobicContact CD2-CB 3.71Å; F563-C586 HydrophobicContact CE2-CB 3.47Å; F563-C586 VanDerWaalsContact CE2-CB 3.47Å; F563-C586 HydrophobicContact CZ-CB 4.46Å; F563-L588 HydrophobicContact CE1-CB 3.89Å; F563-L588 HydrophobicContact CZ-CB 4.03Å; F563-L616 HydrophobicContact CE2-CD1 4.1Å; F563-L616 HydrophobicContact CZ-CD1 3.87Å; F563-W631 HydrophobicContact CE1-CH2 4.17Å; F563-W631 AromaticContact CE1-CZ2 4Å; F563-W631 HydrophobicContact CE1-CZ2 4Å; F563-W631 HydrophobicContact CE2-CH2 4.25Å; F563-W631 AromaticContact CE2-CZ2 3.69Å; F563-W631 HydrophobicContact CE2-CZ2 3.69Å; F563-W631 AromaticContact CZ-CH2 3.49Å; F563-W631 HydrophobicContact CZ-CH2 3.49Å; F563-W631 VanDerWaalsContact CZ-CH2 3.49Å; F563-W631 AromaticContact CZ-CZ2 3.29Å; F563-W631 HydrophobicContact CZ-CZ2 3.29Å; F563-W631 HydrophobicContact CZ-CZ3 4.41Å
564	T	96.9	Very high	93.3	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141	177.6	-63.6	0	0	0	0	112.5	S512 Q584 I587 L588	S512-T564 WeakPolarHBondContact CB-OG1 3.48Å; S512-T564 CarbonylContact O-C 3.59Å; S512-T564 WeakPolarHBondContact O-CA 3.32Å; T564-Q584 PolarHBondContact OG1-OE1 3.03Å; T564-I587 HydrophobicContact CG2-CD1 3.45Å; T564-I587 VanDerWaalsContact CG2-CD1 3.45Å; T564-I587 HydrophobicContact CG2-CG1 3.81Å; T564-I587 WeakPolarHBondContact O-CA 3.45Å; T564-L588 PolarHBondContact O-N 2.85Å
565	I	97.1	Very high	93.4	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.2	170.3	-61.1	-179.6	0	0	0	109.9	I480 I481 V511 S512 A514 F563 L588 I590	I480-I565 HydrophobicContact CG2-CD1 4.35Å; I481-I565 HydrophobicContact CG1-CD1 4Å; V511-I565 HydrophobicContact CG1-CB 4.5Å; V511-I565 HydrophobicContact CG1-CD1 3.55Å; V511-I565 HydrophobicContact CG1-CG1 3.82Å; S512-I565 PolarHBondContact O-N 2.9Å; A514-I565 WeakPolarHBondContact CB-O 3.12Å; A514-I565 PolarHBondContact N-O 2.89Å; F563-I565 HydrophobicContact CD1-CG1 4.04Å; F563-I565 HydrophobicContact CE1-CG1 3.86Å; I565-L588 HydrophobicContact CG1-CB 4.28Å; I565-L588 HydrophobicContact CG1-CD2 4.44Å; I565-I590 HydrophobicContact CG2-CD1 3.34Å; I565-I590 HydrophobicContact CG2-CG1 4.47Å
566	S	96.5	Very high	93.6	Very high	17 Å²	17	56.8 Å²	56.8	12%	0.119	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132	173.5	-170.3	0	0	0	0	110.7	L588 A589 I590	S566-L588 PolarHBondContact N-O 3.39Å; S566-A589 WeakPolarHBondContact O-CA 3.45Å; S566-I590 PolarHBondContact O-N 3.06Å
567	N	95.3	Very high	93.8	Very high	44 Å²	44	54 Å²	54	24%	0.235	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	115.1	-172.7	-173.3	-20.6	0	0	0	110.5	N477 G569 I590	N477-N567 PolarHBondContact OD1-ND2 3.07Å; N567-G569 PolarHBondContact OD1-N 3.48Å; N567-G569 VanDerWaalsContact OD1-N 3.08Å; N567-I590 HydrophobicContact CB-CB 4.24Å; N567-I590 HydrophobicContact CB-CD1 4.17Å
568	L	93.9	Very high	93.9	Very high	54 Å²	54	53.8 Å²	53.8	28%	0.283	30%	0.302	S	S	.	.			trans	-115.4	9.9	178.3	-61.5	-179.9	0	0	0	112.5	M570 F571 I573 F576 I590	L568-M570 PolarHBondContact O-N 3.21Å; L568-M570 VanDerWaalsContact O-N 3.15Å; L568-F571 HydrophobicContact CB-CD2 4.39Å; L568-F571 HydrophobicContact CD2-CD2 3.9Å; L568-F571 HydrophobicContact CD2-CE2 4.06Å; L568-F571 PolarHBondContact O-N 2.86Å; L568-I573 HydrophobicContact CB-CB 4.07Å; L568-I573 HydrophobicContact CB-CG1 4.09Å; L568-I573 HydrophobicContact CB-CG2 4.47Å; L568-F576 HydrophobicContact CB-CD1 4.11Å; L568-F576 HydrophobicContact CB-CE1 3.67Å; L568-F576 HydrophobicContact CB-CZ 4.16Å; L568-F576 HydrophobicContact CD1-CD1 3.92Å; L568-F576 HydrophobicContact CD1-CD2 3.9Å; L568-F576 HydrophobicContact CD1-CE1 3.8Å; L568-F576 HydrophobicContact CD1-CE2 3.77Å; L568-F576 HydrophobicContact CD1-CG 3.98Å; L568-F576 HydrophobicContact CD1-CZ 3.72Å; L568-F576 HydrophobicContact CG-CD1 4.25Å; L568-F576 HydrophobicContact CG-CE1 3.68Å; L568-F576 HydrophobicContact CG-CE2 4.18Å; L568-F576 HydrophobicContact CG-CZ 3.64Å; L568-I590 PolarHBondContact N-O 3.5Å; L568-I590 VanDerWaalsContact N-O 3.08Å
569	G	90.8	Very high	94.1	Very high	20 Å²	20	53.7 Å²	53.7	21%	0.206	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-58.8	-27.3	178.2	0	0	0	0	0	113.8	N567 F571 G572 I590	N567-G569 PolarHBondContact OD1-N 3.48Å; N567-G569 VanDerWaalsContact OD1-N 3.08Å; G569-F571 PolarHBondContact O-N 2.98Å; G569-G572 PolarHBondContact O-N 2.66Å; G569-G572 VanDerWaalsContact O-N 3.13Å; G569-I590 PolarHBondContact N-O 2.87Å
570	M	90.8	Very high	94.4	Very high	149 Å²	149	48.4 Å²	48.4	73%	0.734	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-65.7	-16.6	173.4	71.7	179.2	72.5	0	0	114.4	L568	L568-M570 PolarHBondContact O-N 3.21Å; L568-M570 VanDerWaalsContact O-N 3.15Å
571	F	93	Very high	94.6	Very high	136 Å²	136	48.1 Å²	48.1	60%	0.596	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-100.7	8.5	176	-60.7	-77.2	0	0	0	112.7	L568 G569 I573	L568-F571 HydrophobicContact CB-CD2 4.39Å; L568-F571 HydrophobicContact CD2-CD2 3.9Å; L568-F571 HydrophobicContact CD2-CE2 4.06Å; L568-F571 PolarHBondContact O-N 2.86Å; G569-F571 PolarHBondContact O-N 2.98Å; F571-I573 VanDerWaalsContact C-N 3.26Å; F571-I573 HydrophobicContact CB-CG1 4.07Å; F571-I573 PolarHBondContact O-N 3.3Å
572	G	92.8	Very high	94.7	Very high	50 Å²	50	49.2 Å²	49.2	52%	0.515	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	13.8	-178.7	0	0	0	0	0	114.8	G569 K574	G569-G572 PolarHBondContact O-N 2.66Å; G569-G572 VanDerWaalsContact O-N 3.13Å; G572-K574 PolarHBondContact O-N 3.16Å
573	I	96.1	Very high	94.5	Very high	68 Å²	68	51.7 Å²	51.7	35%	0.349	29%	0.288	S	S	.	.			trans	-72.6	110.6	-179.8	-60.1	-60.1	0	0	0	109.5	L568 F571 N575 F576 G591 A592	L568-I573 HydrophobicContact CB-CB 4.07Å; L568-I573 HydrophobicContact CB-CG1 4.09Å; L568-I573 HydrophobicContact CB-CG2 4.47Å; F571-I573 VanDerWaalsContact C-N 3.26Å; F571-I573 HydrophobicContact CB-CG1 4.07Å; F571-I573 PolarHBondContact O-N 3.3Å; I573-N575 WeakPolarHBondContact CG2-O 3.37Å; I573-F576 HydrophobicContact CG2-CB 4.08Å; I573-F576 HydrophobicContact CG2-CD1 3.97Å; I573-F576 HydrophobicContact CG2-CG 4.41Å; I573-G591 CarbonylContact O-C 3.6Å; I573-G591 WeakPolarHBondContact O-CA 3.15Å; I573-A592 PolarHBondContact O-N 3.38Å
574	K	93.9	Very high	94.5	Very high	118 Å²	118	51.9 Å²	51.9	51%	0.513	29%	0.289	S	S	.	.	S	Bend	trans	-60.9	-46.9	-179.4	-64.6	-174.3	-177	-68.8	0	113	G572 E594 S613	G572-K574 PolarHBondContact O-N 3.16Å; K574-E594 IonicContact NZ-OE1 3.5Å; K574-E594 PolarHBondContact NZ-OE1 2.76Å; K574-E594 IonicContact NZ-OE2 3.6Å; K574-E594 PolarHBondContact NZ-OE2 3.33Å; K574-S613 WeakPolarHBondContact O-CB 3.34Å
575	N	95.5	Very high	94.4	Very high	107 Å²	107	51.8 Å²	51.8	57%	0.572	29%	0.289	S	S	*	.			trans	-148.2	155.7	175.3	60.1	47.4	0	0	0	109.7	I573	I573-N575 WeakPolarHBondContact CG2-O 3.37Å
576	F	96.8	Very high	94.4	Very high	40 Å²	40	51.8 Å²	51.8	18%	0.175	29%	0.289	C	S	.	.			trans	-156.9	166.3	165.7	71.1	-77.2	0	0	0	109	L568 I573 A578 A589 I590 T615	L568-F576 HydrophobicContact CB-CD1 4.11Å; L568-F576 HydrophobicContact CB-CE1 3.67Å; L568-F576 HydrophobicContact CB-CZ 4.16Å; L568-F576 HydrophobicContact CD1-CD1 3.92Å; L568-F576 HydrophobicContact CD1-CD2 3.9Å; L568-F576 HydrophobicContact CD1-CE1 3.8Å; L568-F576 HydrophobicContact CD1-CE2 3.77Å; L568-F576 HydrophobicContact CD1-CG 3.98Å; L568-F576 HydrophobicContact CD1-CZ 3.72Å; L568-F576 HydrophobicContact CG-CD1 4.25Å; L568-F576 HydrophobicContact CG-CE1 3.68Å; L568-F576 HydrophobicContact CG-CE2 4.18Å; L568-F576 HydrophobicContact CG-CZ 3.64Å; I573-F576 HydrophobicContact CG2-CB 4.08Å; I573-F576 HydrophobicContact CG2-CD1 3.97Å; I573-F576 HydrophobicContact CG2-CG 4.41Å; F576-A578 HydrophobicContact CE2-CB 4.21Å; F576-A589 HydrophobicContact CD1-CB 4.12Å; F576-A589 HydrophobicContact CD2-CB 3.85Å; F576-A589 HydrophobicContact CE1-CB 3.84Å; F576-A589 HydrophobicContact CE2-CB 3.56Å; F576-A589 HydrophobicContact CG-CB 4.14Å; F576-A589 HydrophobicContact CZ-CB 3.55Å; F576-A589 WeakPolarHBondContact O-CB 3.18Å; F576-I590 WeakPolarHBondContact CE1-O 3.31Å; F576-T615 WeakPolarHBondContact O-CB 3.44Å
577	S	96.5	Very high	94.4	Very high	65 Å²	65	51.5 Å²	51.5	46%	0.455	29%	0.286	S	S	.	.			trans	-117.2	131.2	172.4	-58.6	0	0	0	0	108.8
578	A	95	Very high	94.6	Very high	11 Å²	11	49.4 Å²	49.4	9%	0.091	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-91.2	166.6	178.6	0	0	0	0	0	111.5	F576 I587 A589 S617	F576-A578 HydrophobicContact CE2-CB 4.21Å; A578-I587 HydrophobicContact CB-CD1 3.7Å; A578-I587 HydrophobicContact CB-CG1 3.89Å; A578-I587 HydrophobicContact CB-CG2 3.82Å; A578-A589 HydrophobicContact CB-CB 4.32Å; A578-S617 PolarHBondContact O-OG 2.83Å
579	I	95.9	Very high	94.8	Very high	63 Å²	63	46.9 Å²	46.9	32%	0.323	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-99.2	133.1	169.2	-61.7	175.3	0	0	0	107.1	L436 K440	L436-I579 HydrophobicContact CD2-CB 4.02Å; L436-I579 HydrophobicContact CD2-CG2 3.85Å; K440-I579 HydrophobicContact CB-CG2 4.38Å
580	I	95.5	Very high	95.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-63.4	144	-179.5	-64.3	160.4	0	0	0	109.4	S439 I443 H445 P582 Q584 I587 D619	S439-I580 WeakPolarHBondContact CB-O 3.21Å; S439-I580 PolarHBondContact OG-O 3.23Å; I443-I580 HydrophobicContact CD1-CB 4.3Å; I443-I580 HydrophobicContact CD1-CG2 3.99Å; I443-I580 HydrophobicContact CG2-CD1 3.82Å; H445-I580 PolarHBondContact NE2-N 3.08Å; I580-P582 WeakPolarHBondContact O-CD 3.46Å; I580-Q584 WeakPolarHBondContact CG2-O 3.48Å; I580-I587 HydrophobicContact CB-CG2 4.35Å; I580-I587 HydrophobicContact CG1-CG2 3.72Å; I580-D619 HydrophobicContact CD1-CB 4.5Å
581	N	92.1	Very high	95.4	Very high	37 Å²	37	39 Å²	39	20%	0.198	22%	0.218	C	C	.	.			trans	-99.4	107.6	175.2	-174	32.1	0	0	0	109.6	Q584	N581-Q584 WeakPolarHBondContact O-CB 3.38Å; N581-Q584 PolarHBondContact O-N 3.25Å; N581-Q584 VanDerWaalsContact O-N 3.09Å
582	P	91.7	Very high	95.5	Very high	38 Å²	38	33.1 Å²	33.1	25%	0.247	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	141.9	-178.7	-21.9	33.9	0	0	0	111.3	I443 I580	I443-P582 HydrophobicContact CD1-CG 4.23Å; I580-P582 WeakPolarHBondContact O-CD 3.46Å
583	P	92.4	Very high	95.6	Very high	66 Å²	66	33.3 Å²	33.3	43%	0.429	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	cis	-96.2	18.9	11.8	39.1	-37.5	0	0	0	114.8	S497 M499	S497-P583 WeakPolarHBondContact CA-O 3.21Å; S497-P583 WeakPolarHBondContact CB-O 3.29Å; S497-P583 PolarHBondContact OG-O 3.28Å; M499-P583 HydrophobicContact CE-CB 4.31Å; M499-P583 HydrophobicContact CE-CG 4.49Å
584	Q	95.1	Very high	95.5	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.014	19%	0.186	C	C	.	.			trans	-70.9	149.8	179.7	-55.7	177.2	2.7	0	0	110.6	S512 G560 G561 T564 I580 N581	S512-Q584 PolarHBondContact OG-NE2 2.94Å; G560-Q584 PolarHBondContact O-NE2 2.91Å; G561-Q584 WeakPolarHBondContact O-CG 3.34Å; G561-Q584 PolarHBondContact O-NE2 2.8Å; T564-Q584 PolarHBondContact OG1-OE1 3.03Å; I580-Q584 WeakPolarHBondContact CG2-O 3.48Å; N581-Q584 WeakPolarHBondContact O-CB 3.38Å; N581-Q584 PolarHBondContact O-N 3.25Å; N581-Q584 VanDerWaalsContact O-N 3.09Å
585	A	95.8	Very high	95.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-88.9	-16.3	175.2	0	0	0	0	0	114.3	S496 C618 D619 V622 V623	S496-A585 WeakPolarHBondContact O-CB 3.47Å; S496-A585 PolarHBondContact O-N 2.96Å; A585-C618 CarbonylContact O-C 3.47Å; A585-C618 WeakPolarHBondContact O-CA 3.3Å; A585-D619 HydrophobicContact CB-CB 4.21Å; A585-D619 PolarHBondContact O-N 2.86Å; A585-V622 HydrophobicContact CB-CB 4.15Å; A585-V622 HydrophobicContact CB-CG1 4.01Å; A585-V623 HydrophobicContact CB-CG2 4.48Å
586	C	96.9	Very high	95.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144.8	-168.4	-67.2	0	0	0	0	113.1	A494 F563 L616 S617	A494-C586 PolarHBondContact O-SG 3.04Å; A494-C586 VanDerWaalsContact O-SG 3.36Å; F563-C586 HydrophobicContact CD2-CB 3.71Å; F563-C586 HydrophobicContact CE2-CB 3.47Å; F563-C586 VanDerWaalsContact CE2-CB 3.47Å; F563-C586 HydrophobicContact CZ-CB 4.46Å; C586-L616 HydrophobicContact CB-CD1 4.32Å; C586-S617 WeakPolarHBondContact CA-O 3.43Å
587	I	97.4	Very high	95.4	Very high	11 Å²	11	35.3 Å²	35.3	6%	0.056	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	133.6	166.2	-175.6	163.4	0	0	0	111.5	T564 A578 I580 S617	T564-I587 HydrophobicContact CG2-CD1 3.45Å; T564-I587 VanDerWaalsContact CG2-CD1 3.45Å; T564-I587 HydrophobicContact CG2-CG1 3.81Å; T564-I587 WeakPolarHBondContact O-CA 3.45Å; A578-I587 HydrophobicContact CB-CD1 3.7Å; A578-I587 HydrophobicContact CB-CG1 3.89Å; A578-I587 HydrophobicContact CB-CG2 3.82Å; I580-I587 HydrophobicContact CB-CG2 4.35Å; I580-I587 HydrophobicContact CG1-CG2 3.72Å; I587-S617 PolarHBondContact N-O 2.93Å; I587-S617 PolarHBondContact O-N 2.88Å
588	L	98.2	Very high	95.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.9	177.7	-163.7	72.2	0	0	0	111	I480 F563 T564 I565 S566 I590 V614 L616 W631 F635	I480-L588 HydrophobicContact CG2-CD2 4.02Å; F563-L588 HydrophobicContact CE1-CB 3.89Å; F563-L588 HydrophobicContact CZ-CB 4.03Å; T564-L588 PolarHBondContact O-N 2.85Å; I565-L588 HydrophobicContact CG1-CB 4.28Å; I565-L588 HydrophobicContact CG1-CD2 4.44Å; S566-L588 PolarHBondContact N-O 3.39Å; L588-I590 HydrophobicContact CD2-CD1 4.25Å; L588-I590 HydrophobicContact CD2-CG1 4.12Å; L588-I590 HydrophobicContact CG-CG1 4.27Å; L588-V614 HydrophobicContact CD1-CG1 3.45Å; L588-V614 VanDerWaalsContact CD1-CG1 3.45Å; L588-V614 HydrophobicContact CD2-CG1 4.25Å; L588-V614 HydrophobicContact CG-CG1 3.85Å; L588-L616 HydrophobicContact CD1-CB 4.29Å; L588-L616 HydrophobicContact CD1-CD1 3.93Å; L588-W631 HydrophobicContact CD1-CH2 3.84Å; L588-W631 HydrophobicContact CD1-CZ3 3.71Å; L588-W631 HydrophobicContact CD2-CH2 4.24Å; L588-F635 HydrophobicContact CD2-CE1 4.42Å; L588-F635 HydrophobicContact CD2-CE2 4Å; L588-F635 HydrophobicContact CD2-CZ 3.77Å
589	A	97.8	Very high	95.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.9	173	0	0	0	0	0	110.3	S566 F576 A578 T615	S566-A589 WeakPolarHBondContact O-CA 3.45Å; F576-A589 HydrophobicContact CD1-CB 4.12Å; F576-A589 HydrophobicContact CD2-CB 3.85Å; F576-A589 HydrophobicContact CE1-CB 3.84Å; F576-A589 HydrophobicContact CE2-CB 3.56Å; F576-A589 HydrophobicContact CG-CB 4.14Å; F576-A589 HydrophobicContact CZ-CB 3.55Å; F576-A589 WeakPolarHBondContact O-CB 3.18Å; A578-A589 HydrophobicContact CB-CB 4.32Å; A589-T615 WeakPolarHBondContact CB-O 3.2Å; A589-T615 PolarHBondContact N-O 3.39Å; A589-T615 PolarHBondContact O-N 3.23Å
590	I	97.8	Very high	95.1	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.6	-173.4	-57.1	155.3	0	0	0	110.3	I480 I565 S566 N567 L568 G569 F576 L588 M612	I480-I590 HydrophobicContact CD1-CD1 4.1Å; I480-I590 HydrophobicContact CD1-CG2 4.26Å; I480-I590 HydrophobicContact CG2-CD1 3.6Å; I480-I590 HydrophobicContact CG2-CG1 4.44Å; I565-I590 HydrophobicContact CG2-CD1 3.34Å; I565-I590 HydrophobicContact CG2-CG1 4.47Å; S566-I590 PolarHBondContact O-N 3.06Å; N567-I590 HydrophobicContact CB-CB 4.24Å; N567-I590 HydrophobicContact CB-CD1 4.17Å; L568-I590 PolarHBondContact N-O 3.5Å; L568-I590 VanDerWaalsContact N-O 3.08Å; G569-I590 PolarHBondContact N-O 2.87Å; F576-I590 WeakPolarHBondContact CE1-O 3.31Å; L588-I590 HydrophobicContact CD2-CD1 4.25Å; L588-I590 HydrophobicContact CD2-CG1 4.12Å; L588-I590 HydrophobicContact CG-CG1 4.27Å; I590-M612 HydrophobicContact CG2-CE 4.15Å; I590-M612 HydrophobicContact CG2-CG 4.04Å; I590-M612 HydrophobicContact CG2-SD 3.51Å; I590-M612 VanDerWaalsContact CG2-SD 3.51Å
591	G	96.6	Very high	94.9	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-173.8	175.4	0	0	0	0	0	114.1	I573 S613	I573-G591 CarbonylContact O-C 3.6Å; I573-G591 WeakPolarHBondContact O-CA 3.15Å; G591-S613 PolarHBondContact N-O 2.84Å
592	A	95.7	Very high	94.9	Very high	13 Å²	13	48.1 Å²	48.1	11%	0.107	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	150.3	171.2	0	0	0	0	0	111.6	I573 E594	I573-A592 PolarHBondContact O-N 3.38Å; A592-E594 HydrophobicContact CB-CG 4.46Å
593	S	94.2	Very high	94.9	Very high	55 Å²	55	56.3 Å²	56.3	39%	0.385	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.3	164.8	-163.1	0	0	0	0	108	S610	S593-S610 PolarHBondContact OG-OG 3.41Å
594	E	94.4	Very high	94.8	Very high	64 Å²	64	60.9 Å²	60.9	30%	0.299	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.7	-179.8	-56.8	-161.7	132.5	0	0	110.5	K574 A592 K596 M611	K574-E594 IonicContact NZ-OE1 3.5Å; K574-E594 PolarHBondContact NZ-OE1 2.76Å; K574-E594 IonicContact NZ-OE2 3.6Å; K574-E594 PolarHBondContact NZ-OE2 3.33Å; A592-E594 HydrophobicContact CB-CG 4.46Å; E594-K596 PolarHBondContact O-N 3.3Å; E594-M611 PolarHBondContact N-O 3.09Å; E594-M611 PolarHBondContact O-N 3.27Å
595	D	95.5	Very high	94.6	Very high	118 Å²	118	62.8 Å²	62.8	63%	0.631	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	109.3	178.7	-64.5	-19.8	0	0	0	109.7	V608 S610	D595-V608 HydrophobicContact CB-CG1 3.8Å; D595-S610 WeakPolarHBondContact OD1-CA 3.2Å; D595-S610 WeakPolarHBondContact OD1-CB 3.4Å; D595-S610 PolarHBondContact OD1-OG 3.38Å
596	K	94.5	Very high	94.6	Very high	70 Å²	70	67.2 Å²	67.2	30%	0.304	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	145.4	-179.1	-59.6	-173.6	-166.5	-178.2	0	110.2	D451 E594 A609 M611	D451-K596 IonicContact OD1-NZ 2.62Å; D451-K596 IonicContact OD2-NZ 2.63Å; D451-K596 PolarHBondContact OD2-NZ 3.11Å; E594-K596 PolarHBondContact O-N 3.3Å; K596-A609 PolarHBondContact N-O 2.95Å; K596-A609 PolarHBondContact O-N 3.39Å; K596-M611 HydrophobicContact CB-CB 4.5Å; K596-M611 HydrophobicContact CB-CG 4.21Å; K596-M611 HydrophobicContact CD-CB 3.76Å; K596-M611 HydrophobicContact CD-CG 4.05Å; K596-M611 HydrophobicContact CG-CB 4.04Å; K596-M611 HydrophobicContact CG-CG 4.28Å
597	L	95.1	Very high	94.4	Very high	122 Å²	122	71.8 Å²	71.8	64%	0.639	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	126.8	169.3	-57.4	-175.6	0	0	0	109.4	F606 D607 V608	L597-F606 HydrophobicContact CD1-CD2 4.47Å; L597-F606 HydrophobicContact CD2-CD2 4Å; L597-F606 HydrophobicContact CD2-CE2 4.18Å; L597-D607 WeakPolarHBondContact CA-O 3.29Å; L597-V608 HydrophobicContact CD2-CG2 3.92Å
598	V	93.6	Very high	94.3	Very high	49 Å²	49	75.3 Å²	75.3	30%	0.297	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138	179.3	-176.7	0	0	0	0	108.5	A600 F606 D607 A609 M611	V598-A600 PolarHBondContact O-N 2.96Å; V598-F606 CarbonylContact O-C 3.54Å; V598-F606 VanDerWaalsContact O-CA 3.26Å; V598-F606 WeakPolarHBondContact O-CA 3.45Å; V598-D607 PolarHBondContact N-O 2.89Å; V598-D607 PolarHBondContact O-N 3.25Å; V598-A609 HydrophobicContact CG2-CB 3.71Å; V598-M611 HydrophobicContact CG2-CE 3.9Å
599	P	94.4	Very high	94.1	Very high	118 Å²	118	75.9 Å²	75.9	77%	0.766	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.4	137.1	173.4	-24.6	34.8	0	0	0	111.6
600	A	92.3	Very high	94	Very high	29 Å²	29	76.8 Å²	76.8	24%	0.24	42%	0.421	C	S	.	.			trans	-147.9	145.9	-177.1	0	0	0	0	0	111.3	V598 N602 G605 D607	V598-A600 PolarHBondContact O-N 2.96Å; A600-N602 PolarHBondContact O-N 3.2Å; A600-G605 PolarHBondContact N-O 2.76Å; A600-G605 VanDerWaalsContact N-O 3.15Å; A600-G605 CarbonylContact O-C 3.24Å; A600-G605 VanDerWaalsContact O-C 3.24Å; A600-G605 WeakPolarHBondContact O-CA 3.39Å; A600-D607 HydrophobicContact CB-CB 3.79Å
601	D	91.4	Very high	94	Very high	186 Å²	186	78.1 Å²	78.1	100%	0.995	43%	0.428	S	S	*	.	S	Bend	trans	-77.2	47.8	-177.8	-58.7	-47.9	0	0	0	112.8
602	N	92.7	Very high	94	Very high	63 Å²	63	78.4 Å²	78.4	34%	0.337	43%	0.428	S	S	.	.	S	Bend	trans	-114.5	170.3	176.8	72	34.7	0	0	0	111	A600 K604 G605 F606	A600-N602 PolarHBondContact O-N 3.2Å; N602-K604 PolarHBondContact O-N 2.94Å; N602-K604 WeakPolarHBondContact OD1-CA 3.31Å; N602-K604 WeakPolarHBondContact OD1-CB 3.04Å; N602-K604 PolarHBondContact OD1-N 2.84Å; N602-G605 PolarHBondContact O-N 3.02Å; N602-G605 PolarHBondContact OD1-N 3.09Å; N602-F606 PolarHBondContact ND2-O 2.81Å; N602-F606 PolarHBondContact OD1-N 3.31Å; N602-F606 PolarHBondContact OD1-O 3.38Å
603	E	91.7	Very high	94	Very high	211 Å²	211	78.8 Å²	78.8	99%	0.986	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.1	-177.8	-61.3	-175.8	155.5	0	0	114.7
604	K	89.2	Confident	94.2	Very high	162 Å²	162	76.2 Å²	76.2	70%	0.704	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-15.2	177.9	-56.8	173.5	-176.3	170.8	0	112.5	N602 F606	N602-K604 PolarHBondContact O-N 2.94Å; N602-K604 WeakPolarHBondContact OD1-CA 3.31Å; N602-K604 WeakPolarHBondContact OD1-CB 3.04Å; N602-K604 PolarHBondContact OD1-N 2.84Å; K604-F606 HydrophobicContact CB-CD1 4.24Å; K604-F606 HydrophobicContact CB-CE1 4.08Å; K604-F606 HydrophobicContact CB-CZ 4.47Å; K604-F606 WeakPolarHBondContact O-CD1 3.4Å; K604-F606 PolarHBondContact O-N 3.47Å
605	G	92.6	Very high	94.4	Very high	43 Å²	43	73.3 Å²	73.3	44%	0.443	40%	0.399	S	S	.	.	S	Bend	trans	75	2.1	-174.8	0	0	0	0	0	115.2	A600 N602	A600-G605 PolarHBondContact N-O 2.76Å; A600-G605 VanDerWaalsContact N-O 3.15Å; A600-G605 CarbonylContact O-C 3.24Å; A600-G605 VanDerWaalsContact O-C 3.24Å; A600-G605 WeakPolarHBondContact O-CA 3.39Å; N602-G605 PolarHBondContact O-N 3.02Å; N602-G605 PolarHBondContact OD1-N 3.09Å
606	F	94	Very high	94.5	Very high	93 Å²	93	67.7 Å²	67.7	41%	0.408	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	157.4	-179	67.9	-93.2	0	0	0	112.2	L597 V598 N602 K604	L597-F606 HydrophobicContact CD1-CD2 4.47Å; L597-F606 HydrophobicContact CD2-CD2 4Å; L597-F606 HydrophobicContact CD2-CE2 4.18Å; V598-F606 CarbonylContact O-C 3.54Å; V598-F606 VanDerWaalsContact O-CA 3.26Å; V598-F606 WeakPolarHBondContact O-CA 3.45Å; N602-F606 PolarHBondContact ND2-O 2.81Å; N602-F606 PolarHBondContact OD1-N 3.31Å; N602-F606 PolarHBondContact OD1-O 3.38Å; K604-F606 HydrophobicContact CB-CD1 4.24Å; K604-F606 HydrophobicContact CB-CE1 4.08Å; K604-F606 HydrophobicContact CB-CZ 4.47Å; K604-F606 WeakPolarHBondContact O-CD1 3.4Å; K604-F606 PolarHBondContact O-N 3.47Å
607	D	94.2	Very high	94.7	Very high	97 Å²	97	64.4 Å²	64.4	52%	0.519	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	170.1	171.8	-158.5	5.1	0	0	0	111.1	L597 V598 A600	L597-D607 WeakPolarHBondContact CA-O 3.29Å; V598-D607 PolarHBondContact N-O 2.89Å; V598-D607 PolarHBondContact O-N 3.25Å; A600-D607 HydrophobicContact CB-CB 3.79Å
608	V	94.8	Very high	94.8	Very high	84 Å²	84	58.6 Å²	58.6	51%	0.509	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	111.2	-178.3	-173	0	0	0	0	109.9	D595 L597	D595-V608 HydrophobicContact CB-CG1 3.8Å; L597-V608 HydrophobicContact CD2-CG2 3.92Å
609	A	94.5	Very high	94.9	Very high	13 Å²	13	56.4 Å²	56.4	11%	0.107	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.5	176.6	0	0	0	0	0	111.1	K596 V598 M611	K596-A609 PolarHBondContact N-O 2.95Å; K596-A609 PolarHBondContact O-N 3.39Å; V598-A609 HydrophobicContact CG2-CB 3.71Å; A609-M611 HydrophobicContact CB-CE 4.33Å; A609-M611 HydrophobicContact CB-CG 4.42Å; A609-M611 PolarHBondContact O-N 3.42Å
610	S	95.9	Very high	95	Very high	20 Å²	20	55.5 Å²	55.5	14%	0.14	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	107.2	173	-146.5	0	0	0	0	109.4	M454 S593 D595	M454-S610 PolarHBondContact N-O 3.24Å; S593-S610 PolarHBondContact OG-OG 3.41Å; D595-S610 WeakPolarHBondContact OD1-CA 3.2Å; D595-S610 WeakPolarHBondContact OD1-CB 3.4Å; D595-S610 PolarHBondContact OD1-OG 3.38Å
611	M	96	Very high	95.1	Very high	28 Å²	28	58 Å²	58	14%	0.138	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.6	-172.9	-73.2	-70.9	-162.2	0	0	110.5	D451 N453 E594 K596 V598 A609	D451-M611 HydrophobicContact CB-SD 4.36Å; N453-M611 HydrophobicContact CB-CE 4.38Å; N453-M611 HydrophobicContact CB-SD 3.99Å; E594-M611 PolarHBondContact N-O 3.09Å; E594-M611 PolarHBondContact O-N 3.27Å; K596-M611 HydrophobicContact CB-CB 4.5Å; K596-M611 HydrophobicContact CB-CG 4.21Å; K596-M611 HydrophobicContact CD-CB 3.76Å; K596-M611 HydrophobicContact CD-CG 4.05Å; K596-M611 HydrophobicContact CG-CB 4.04Å; K596-M611 HydrophobicContact CG-CG 4.28Å; V598-M611 HydrophobicContact CG2-CE 3.9Å; A609-M611 HydrophobicContact CB-CE 4.33Å; A609-M611 HydrophobicContact CB-CG 4.42Å; A609-M611 PolarHBondContact O-N 3.42Å
612	M	96.8	Very high	95.3	Very high	8 Å²	8	50 Å²	50	4%	0.039	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.3	174.8	-177.7	177.7	77.5	0	0	109.3	V452 M454 I480 I590 V614 L639	V452-M612 PolarHBondContact N-O 3.4Å; V452-M612 PolarHBondContact O-N 2.85Å; M454-M612 HydrophobicContact CE-CE 3.8Å; M454-M612 HydrophobicContact CE-SD 4.02Å; M454-M612 HydrophobicContact CG-CB 3.5Å; M454-M612 HydrophobicContact CG-CE 4.38Å; M454-M612 HydrophobicContact CG-CG 4.5Å; M454-M612 HydrophobicContact CG-SD 4.26Å; M454-M612 HydrophobicContact SD-CB 4.16Å; M454-M612 HydrophobicContact SD-CE 3.55Å; M454-M612 VanDerWaalsContact SD-CE 3.55Å; M454-M612 HydrophobicContact SD-SD 4.1Å; I480-M612 HydrophobicContact CD1-CE 3.71Å; I480-M612 HydrophobicContact CD1-SD 3.89Å; I480-M612 HydrophobicContact CG1-CE 4.23Å; I590-M612 HydrophobicContact CG2-CE 4.15Å; I590-M612 HydrophobicContact CG2-CG 4.04Å; I590-M612 HydrophobicContact CG2-SD 3.51Å; I590-M612 VanDerWaalsContact CG2-SD 3.51Å; M612-V614 HydrophobicContact CE-CG2 3.65Å; M612-V614 HydrophobicContact CG-CG2 4.17Å; M612-L639 HydrophobicContact CE-CD1 4.1Å
613	S	97.1	Very high	95.5	Very high	22 Å²	22	47.1 Å²	47.1	15%	0.154	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.7	175.6	-139.7	0	0	0	0	110.1	D451 K574 G591	D451-S613 WeakPolarHBondContact OD1-CA 3.23Å; D451-S613 VanDerWaalsContact OD1-CB 3.26Å; D451-S613 WeakPolarHBondContact OD1-CB 3.29Å; D451-S613 PolarHBondContact OD1-OG 2.65Å; K574-S613 WeakPolarHBondContact O-CB 3.34Å; G591-S613 PolarHBondContact N-O 2.84Å
614	V	97.8	Very high	95.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	130.1	-173.5	-175.3	0	0	0	0	109.4	S449 I450 V452 L588 M612 F635	S449-V614 VanDerWaalsContact CA-O 3.32Å; S449-V614 WeakPolarHBondContact CA-O 3.32Å; I450-V614 PolarHBondContact N-O 2.81Å; I450-V614 PolarHBondContact O-N 3.18Å; V452-V614 HydrophobicContact CG2-CG2 4.21Å; L588-V614 HydrophobicContact CD1-CG1 3.45Å; L588-V614 VanDerWaalsContact CD1-CG1 3.45Å; L588-V614 HydrophobicContact CD2-CG1 4.25Å; L588-V614 HydrophobicContact CG-CG1 3.85Å; M612-V614 HydrophobicContact CE-CG2 3.65Å; M612-V614 HydrophobicContact CG-CG2 4.17Å; V614-F635 HydrophobicContact CG1-CE1 3.99Å; V614-F635 HydrophobicContact CG2-CE1 4.35Å
615	T	98.3	Very high	95.8	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.025	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.5	178.7	-61.7	0	0	0	0	110	Y447 L448 S449 F576 A589	Y447-T615 HydrophobicContact CD1-CG2 4.46Å; L448-T615 CarbonylContact O-C 3.36Å; L448-T615 WeakPolarHBondContact O-CA 3.41Å; S449-T615 WeakPolarHBondContact OG-CG2 3.36Å; S449-T615 PolarHBondContact OG-OG1 2.96Å; F576-T615 WeakPolarHBondContact O-CB 3.44Å; A589-T615 WeakPolarHBondContact CB-O 3.2Å; A589-T615 PolarHBondContact N-O 3.39Å; A589-T615 PolarHBondContact O-N 3.23Å
616	L	98	Very high	95.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.4	168.5	-172.8	70.5	0	0	0	109	Y447 L448 F563 C586 L588 C618 W631 L632	Y447-L616 WeakPolarHBondContact CA-O 3.34Å; L448-L616 PolarHBondContact N-O 3.15Å; L448-L616 PolarHBondContact O-N 2.74Å; F563-L616 HydrophobicContact CE2-CD1 4.1Å; F563-L616 HydrophobicContact CZ-CD1 3.87Å; C586-L616 HydrophobicContact CB-CD1 4.32Å; L588-L616 HydrophobicContact CD1-CB 4.29Å; L588-L616 HydrophobicContact CD1-CD1 3.93Å; L616-C618 WeakPolarHBondContact CD2-SG 3.21Å; L616-C618 VanDerWaalsContact CG-SG 3.56Å; L616-W631 HydrophobicContact CD1-CE3 4.25Å; L616-W631 HydrophobicContact CD1-CH2 4.38Å; L616-W631 HydrophobicContact CD1-CZ3 4.01Å; L616-W631 HydrophobicContact CD2-CD2 4.31Å; L616-W631 HydrophobicContact CD2-CE3 3.77Å; L616-W631 HydrophobicContact CD2-CZ3 4.3Å; L616-L632 HydrophobicContact CB-CD1 4.13Å; L616-L632 HydrophobicContact CB-CD2 4.04Å; L616-L632 HydrophobicContact CB-CG 4.2Å; L616-L632 HydrophobicContact CD2-CG 4.21Å
617	S	97.9	Very high	96	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.2	173.3	-40.2	0	0	0	0	108.3	Y446 Y447 A578 C586 I587	Y446-S617 WeakPolarHBondContact O-CA 3.28Å; Y447-S617 WeakPolarHBondContact CD1-OG 3.34Å; Y447-S617 WeakPolarHBondContact CE1-OG 3.42Å; A578-S617 PolarHBondContact O-OG 2.83Å; C586-S617 WeakPolarHBondContact CA-O 3.43Å; I587-S617 PolarHBondContact N-O 2.93Å; I587-S617 PolarHBondContact O-N 2.88Å
618	C	97.3	Very high	96.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	148.2	-168.8	-73.9	0	0	0	0	112.8	H445 Y446 A585 L616 V623	H445-C618 WeakPolarHBondContact CA-O 3.43Å; Y446-C618 HydrophobicContact CD1-CB 3.89Å; Y446-C618 VanDerWaalsContact CD1-O 3.31Å; Y446-C618 WeakPolarHBondContact CD1-O 3.25Å; Y446-C618 HydrophobicContact CE1-CB 3.19Å; Y446-C618 HydrophobicContact CE2-CB 4.4Å; Y446-C618 VanDerWaalsContact CZ-CB 3.48Å; Y446-C618 PolarHBondContact N-O 3.46Å; Y446-C618 VanDerWaalsContact N-O 3.14Å; Y446-C618 PolarHBondContact O-N 2.83Å; Y446-C618 WeakPolarHBondContact OH-CB 3.36Å; A585-C618 CarbonylContact O-C 3.47Å; A585-C618 WeakPolarHBondContact O-CA 3.3Å; L616-C618 WeakPolarHBondContact CD2-SG 3.21Å; L616-C618 VanDerWaalsContact CG-SG 3.56Å; C618-V623 HydrophobicContact CB-CB 4.26Å; C618-V623 HydrophobicContact CB-CG1 4.48Å
619	D	96.9	Very high	96.3	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.011	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	109.2	165.7	-175.1	-12.6	0	0	0	110.3	I443 I580 A585 R621 V622 V623	I443-D619 HydrophobicContact CG2-CB 3.57Å; I580-D619 HydrophobicContact CD1-CB 4.5Å; A585-D619 HydrophobicContact CB-CB 4.21Å; A585-D619 PolarHBondContact O-N 2.86Å; D619-R621 PolarHBondContact O-N 2.9Å; D619-R621 VanDerWaalsContact OD1-CB 3.27Å; D619-R621 WeakPolarHBondContact OD1-CB 3.17Å; D619-R621 VanDerWaalsContact OD1-CG 3.32Å; D619-R621 WeakPolarHBondContact OD1-CG 3.17Å; D619-R621 IonicContact OD1-CZ 2.81Å; D619-R621 PolarHBondContact OD1-N 2.95Å; D619-R621 IonicContact OD1-NE 3.76Å; D619-R621 PolarHBondContact OD1-NE 3.28Å; D619-R621 IonicContact OD1-NH2 2.74Å; D619-R621 IonicContact OD2-CZ 3.3Å; D619-R621 IonicContact OD2-NE 2.68Å; D619-R621 PolarHBondContact OD2-NE 2.77Å; D619-R621 VanDerWaalsContact OD2-NE 3.17Å; D619-R621 IonicContact OD2-NH2 3.07Å; D619-R621 PolarHBondContact OD2-NH2 2.66Å; D619-V622 PolarHBondContact O-N 3.34Å; D619-V623 PolarHBondContact O-N 2.96Å
620	H	95.6	Very high	96.4	Very high	100 Å²	100	29.5 Å²	29.5	46%	0.463	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-5.9	-177.7	-148.5	-50.1	0	0	0	114.3	P444 Y446 V623	P444-H620 HydrophobicContact CB-CB 4.46Å; P444-H620 HydrophobicContact CG-CB 4.26Å; P444-H620 PolarHBondContact O-N 2.87Å; P444-H620 VanDerWaalsContact O-N 3.17Å; Y446-H620 HydrophobicContact CD1-CB 3.63Å; Y446-H620 AromaticContact CD1-CD2 3.44Å; Y446-H620 VanDerWaalsContact CD1-CD2 3.44Å; Y446-H620 WeakPolarHBondContact CD1-CD2 3.4Å; Y446-H620 AromaticContact CD1-CG 3.77Å; Y446-H620 HydrophobicContact CE1-CB 3.9Å; Y446-H620 AromaticContact CE1-CD2 3.79Å; Y446-H620 AromaticContact CE1-CG 3.9Å; Y446-H620 AromaticContact CG-CD2 3.69Å; H620-V623 WeakPolarHBondContact CA-O 2.79Å
621	R	95.4	Very high	96.6	Very high	81 Å²	81	28.5 Å²	28.5	31%	0.306	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-17	173.2	-55.8	173.3	-63.8	165.4	8.7	113.3	P444 W498 D619	P444-R621 HydrophobicContact CG-CG 3.67Å; W498-R621 VanDerWaalsContact CD1-NH1 3.3Å; W498-R621 HydrophobicContact CD2-CB 4.31Å; W498-R621 HydrophobicContact CE3-CB 3.7Å; W498-R621 HydrophobicContact CZ3-CB 3.83Å; W498-R621 VanDerWaalsContact NE1-NH1 3.17Å; D619-R621 PolarHBondContact O-N 2.9Å; D619-R621 VanDerWaalsContact OD1-CB 3.27Å; D619-R621 WeakPolarHBondContact OD1-CB 3.17Å; D619-R621 VanDerWaalsContact OD1-CG 3.32Å; D619-R621 WeakPolarHBondContact OD1-CG 3.17Å; D619-R621 IonicContact OD1-CZ 2.81Å; D619-R621 PolarHBondContact OD1-N 2.95Å; D619-R621 IonicContact OD1-NE 3.76Å; D619-R621 PolarHBondContact OD1-NE 3.28Å; D619-R621 IonicContact OD1-NH2 2.74Å; D619-R621 IonicContact OD2-CZ 3.3Å; D619-R621 IonicContact OD2-NE 2.68Å; D619-R621 PolarHBondContact OD2-NE 2.77Å; D619-R621 VanDerWaalsContact OD2-NE 3.17Å; D619-R621 IonicContact OD2-NH2 3.07Å; D619-R621 PolarHBondContact OD2-NH2 2.66Å
622	V	94.8	Very high	96.7	Very high	19 Å²	19	27.5 Å²	27.5	12%	0.115	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-37.8	-172.8	177.7	0	0	0	0	111.7	W498 I503 A585 D619	W498-V622 HydrophobicContact CB-CG2 3.9Å; W498-V622 HydrophobicContact CE3-CG2 3.89Å; I503-V622 HydrophobicContact CD1-CG2 4.35Å; I503-V622 HydrophobicContact CG1-CG2 4.44Å; I503-V622 HydrophobicContact CG2-CG1 4.04Å; I503-V622 HydrophobicContact CG2-CG2 4.49Å; A585-V622 HydrophobicContact CB-CB 4.15Å; A585-V622 HydrophobicContact CB-CG1 4.01Å; D619-V622 PolarHBondContact O-N 3.34Å
623	V	96.1	Very high	96.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	18%	0.178	C	C	.	.			trans	-121.4	124.2	-178.5	-173	0	0	0	0	107.8	Y446 A585 C618 D619 H620 V627	Y446-V623 VanDerWaalsContact CE1-O 3.28Å; Y446-V623 WeakPolarHBondContact CE1-O 3.44Å; Y446-V623 PolarHBondContact OH-O 3.34Å; A585-V623 HydrophobicContact CB-CG2 4.48Å; C618-V623 HydrophobicContact CB-CB 4.26Å; C618-V623 HydrophobicContact CB-CG1 4.48Å; D619-V623 PolarHBondContact O-N 2.96Å; H620-V623 WeakPolarHBondContact CA-O 2.79Å; V623-V627 HydrophobicContact CG1-CB 4.04Å; V623-V627 HydrophobicContact CG1-CG1 3.89Å
624	D	93.8	Very high	96.7	Very high	75 Å²	75	30.7 Å²	30.7	40%	0.401	18%	0.181	S	C	.	.			trans	-91.6	176.1	175.7	79.2	24.2	0	0	0	112.5	Y446 A626 V627 G628	Y446-D624 PolarHBondContact OH-O 3.17Å; D624-A626 PolarHBondContact O-N 3.36Å; D624-A626 VanDerWaalsContact OD1-CA 3.32Å; D624-A626 WeakPolarHBondContact OD1-CA 3.28Å; D624-A626 WeakPolarHBondContact OD1-CB 3.17Å; D624-A626 PolarHBondContact OD1-N 3.32Å; D624-V627 PolarHBondContact O-N 2.73Å; D624-V627 WeakPolarHBondContact OD1-CG2 3.42Å; D624-V627 PolarHBondContact OD1-N 2.61Å; D624-G628 PolarHBondContact O-N 3.32Å
625	G	93.9	Very high	96.7	Very high	35 Å²	35	30.7 Å²	30.7	36%	0.361	18%	0.181	S	C	.	.	H	α-helix	trans	-60.1	-29.9	179.4	0	0	0	0	0	114.6	A629	G625-A629 VanDerWaalsContact O-CB 3.25Å; G625-A629 WeakPolarHBondContact O-CB 3.16Å; G625-A629 PolarHBondContact O-N 3.24Å
626	A	95.2	Very high	96.7	Very high	54 Å²	54	35.1 Å²	35.1	45%	0.446	20%	0.197	S	C	.	.	H	α-helix	trans	-82.7	-43.4	179.2	0	0	0	0	0	112	D624 A629 Q630	D624-A626 PolarHBondContact O-N 3.36Å; D624-A626 VanDerWaalsContact OD1-CA 3.32Å; D624-A626 WeakPolarHBondContact OD1-CA 3.28Å; D624-A626 WeakPolarHBondContact OD1-CB 3.17Å; D624-A626 PolarHBondContact OD1-N 3.32Å; A626-A629 PolarHBondContact O-N 3.08Å; A626-Q630 WeakPolarHBondContact O-CB 3.05Å; A626-Q630 VanDerWaalsContact O-CG 3.27Å; A626-Q630 WeakPolarHBondContact O-CG 3.42Å; A626-Q630 PolarHBondContact O-N 2.88Å; A626-Q630 PolarHBondContact O-NE2 3.06Å
627	V	96.8	Very high	96.6	Very high	10 Å²	10	39.6 Å²	39.6	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-44.7	175.4	178.7	0	0	0	0	110.3	V491 E493 V623 D624 A629 Q630 W631	V491-V627 HydrophobicContact CG1-CG1 3.54Å; E493-V627 HydrophobicContact CB-CG1 3.77Å; V623-V627 HydrophobicContact CG1-CB 4.04Å; V623-V627 HydrophobicContact CG1-CG1 3.89Å; D624-V627 PolarHBondContact O-N 2.73Å; D624-V627 WeakPolarHBondContact OD1-CG2 3.42Å; D624-V627 PolarHBondContact OD1-N 2.61Å; V627-A629 VanDerWaalsContact C-N 3.34Å; V627-A629 PolarHBondContact O-N 2.92Å; V627-Q630 PolarHBondContact O-N 3.35Å; V627-W631 PolarHBondContact O-N 2.99Å
628	G	96.8	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-38.2	174.8	0	0	0	0	0	113	L448 D624 L632	L448-G628 VanDerWaalsContact CD1-C 3.46Å; D624-G628 PolarHBondContact O-N 3.32Å; G628-L632 WeakPolarHBondContact O-CB 3.45Å; G628-L632 WeakPolarHBondContact O-CG 3.43Å; G628-L632 PolarHBondContact O-N 3.05Å; G628-L632 VanDerWaalsContact O-N 3.08Å
629	A	97.2	Very high	96.6	Very high	50 Å²	50	40 Å²	40	41%	0.413	22%	0.218	S	C	.	.	H	α-helix	trans	-69.2	-37.3	174.3	0	0	0	0	0	112.8	G625 A626 V627 L632 A633	G625-A629 VanDerWaalsContact O-CB 3.25Å; G625-A629 WeakPolarHBondContact O-CB 3.16Å; G625-A629 PolarHBondContact O-N 3.24Å; A626-A629 PolarHBondContact O-N 3.08Å; V627-A629 VanDerWaalsContact C-N 3.34Å; V627-A629 PolarHBondContact O-N 2.92Å; A629-L632 PolarHBondContact O-N 2.81Å; A629-A633 WeakPolarHBondContact O-CB 3.27Å; A629-A633 PolarHBondContact O-N 3.33Å
630	Q	97.8	Very high	96.5	Very high	109 Å²	109	42.4 Å²	42.4	51%	0.509	23%	0.229	S	C	.	.	H	α-helix	trans	-64.5	-44.3	174.3	-74.5	171.3	57.8	0	0	111.8	V491 A626 V627 L632 A633 E634	V491-Q630 HydrophobicContact CG2-CB 4.13Å; A626-Q630 WeakPolarHBondContact O-CB 3.05Å; A626-Q630 VanDerWaalsContact O-CG 3.27Å; A626-Q630 WeakPolarHBondContact O-CG 3.42Å; A626-Q630 PolarHBondContact O-N 2.88Å; A626-Q630 PolarHBondContact O-NE2 3.06Å; V627-Q630 PolarHBondContact O-N 3.35Å; Q630-L632 VanDerWaalsContact C-N 3.34Å; Q630-L632 PolarHBondContact O-N 2.82Å; Q630-A633 PolarHBondContact O-N 2.98Å; Q630-E634 PolarHBondContact O-N 2.64Å
631	W	98.3	Very high	96.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-45.8	174.8	-174.1	97.4	0	0	0	111.1	A487 C488 V491 A494 F563 L588 L616 V627 A633 E634 F635	A487-W631 HydrophobicContact CB-CD2 4.15Å; A487-W631 HydrophobicContact CB-CG 4.3Å; A487-W631 HydrophobicContact CB-CZ2 4.13Å; C488-W631 PolarHBondContact SG-NE1 3Å; V491-W631 HydrophobicContact CB-CB 4.21Å; V491-W631 HydrophobicContact CG1-CB 4.26Å; V491-W631 HydrophobicContact CG2-CB 4.45Å; A494-W631 HydrophobicContact CB-CB 4.31Å; A494-W631 VanDerWaalsContact CB-CD1 3.48Å; A494-W631 HydrophobicContact CB-CG 4.01Å; F563-W631 HydrophobicContact CE1-CH2 4.17Å; F563-W631 AromaticContact CE1-CZ2 4Å; F563-W631 HydrophobicContact CE1-CZ2 4Å; F563-W631 HydrophobicContact CE2-CH2 4.25Å; F563-W631 AromaticContact CE2-CZ2 3.69Å; F563-W631 HydrophobicContact CE2-CZ2 3.69Å; F563-W631 AromaticContact CZ-CH2 3.49Å; F563-W631 HydrophobicContact CZ-CH2 3.49Å; F563-W631 VanDerWaalsContact CZ-CH2 3.49Å; F563-W631 AromaticContact CZ-CZ2 3.29Å; F563-W631 HydrophobicContact CZ-CZ2 3.29Å; F563-W631 HydrophobicContact CZ-CZ3 4.41Å; L588-W631 HydrophobicContact CD1-CH2 3.84Å; L588-W631 HydrophobicContact CD1-CZ3 3.71Å; L588-W631 HydrophobicContact CD2-CH2 4.24Å; L616-W631 HydrophobicContact CD1-CE3 4.25Å; L616-W631 HydrophobicContact CD1-CH2 4.38Å; L616-W631 HydrophobicContact CD1-CZ3 4.01Å; L616-W631 HydrophobicContact CD2-CD2 4.31Å; L616-W631 HydrophobicContact CD2-CE3 3.77Å; L616-W631 HydrophobicContact CD2-CZ3 4.3Å; V627-W631 PolarHBondContact O-N 2.99Å; W631-A633 VanDerWaalsContact C-N 3.32Å; W631-A633 PolarHBondContact O-N 3.01Å; W631-E634 PolarHBondContact O-N 3.25Å; W631-F635 HydrophobicContact CE3-CB 4.06Å; W631-F635 HydrophobicContact CH2-CB 4.19Å; W631-F635 AromaticContact CH2-CD2 3.84Å; W631-F635 HydrophobicContact CH2-CD2 3.84Å; W631-F635 HydrophobicContact CH2-CE2 4.41Å; W631-F635 AromaticContact CH2-CG 3.96Å; W631-F635 HydrophobicContact CH2-CG 3.96Å; W631-F635 HydrophobicContact CZ3-CB 3.84Å; W631-F635 HydrophobicContact CZ3-CD1 4.23Å; W631-F635 HydrophobicContact CZ3-CD2 4.18Å; W631-F635 AromaticContact CZ3-CG 3.81Å; W631-F635 HydrophobicContact CZ3-CG 3.81Å; W631-F635 VanDerWaalsContact O-CB 3.22Å; W631-F635 WeakPolarHBondContact O-CB 3.34Å; W631-F635 PolarHBondContact O-N 2.83Å
632	L	98.1	Very high	96.5	Very high	6 Å²	6	41 Å²	41	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-34.3	176.4	-81.1	175.1	0	0	0	113	L448 I450 L616 G628 A629 Q630 R636	L448-L632 HydrophobicContact CB-CD1 3.49Å; L448-L632 VanDerWaalsContact CB-CD1 3.49Å; L448-L632 HydrophobicContact CD1-CD1 4.28Å; I450-L632 HydrophobicContact CD1-CB 4.13Å; I450-L632 HydrophobicContact CD1-CD2 3.98Å; I450-L632 HydrophobicContact CG1-CD2 4.06Å; I450-L632 HydrophobicContact CG2-CD1 4.44Å; L616-L632 HydrophobicContact CB-CD1 4.13Å; L616-L632 HydrophobicContact CB-CD2 4.04Å; L616-L632 HydrophobicContact CB-CG 4.2Å; L616-L632 HydrophobicContact CD2-CG 4.21Å; G628-L632 WeakPolarHBondContact O-CB 3.45Å; G628-L632 WeakPolarHBondContact O-CG 3.43Å; G628-L632 PolarHBondContact O-N 3.05Å; G628-L632 VanDerWaalsContact O-N 3.08Å; A629-L632 PolarHBondContact O-N 2.81Å; Q630-L632 VanDerWaalsContact C-N 3.34Å; Q630-L632 PolarHBondContact O-N 2.82Å; L632-R636 WeakPolarHBondContact O-CB 3.35Å; L632-R636 PolarHBondContact O-N 2.69Å
633	A	97.7	Very high	96.4	Very high	53 Å²	53	45.1 Å²	45.1	44%	0.438	25%	0.25	S	S	.	.	H	α-helix	trans	-68.2	-45.6	176.9	0	0	0	0	0	112.2	A629 Q630 W631 R636 K637	A629-A633 WeakPolarHBondContact O-CB 3.27Å; A629-A633 PolarHBondContact O-N 3.33Å; Q630-A633 PolarHBondContact O-N 2.98Å; W631-A633 VanDerWaalsContact C-N 3.32Å; W631-A633 PolarHBondContact O-N 3.01Å; A633-R636 PolarHBondContact O-N 3.12Å; A633-K637 WeakPolarHBondContact O-CB 3.44Å; A633-K637 PolarHBondContact O-N 3.33Å
634	E	97.4	Very high	96.3	Very high	45 Å²	45	46.8 Å²	46.8	21%	0.21	26%	0.26	C	S	.	.	H	α-helix	trans	-68.1	-41.8	175.3	-71.5	-64.4	120.5	0	0	111.5	K490 Q630 W631 R636 K637 Y638	K490-E634 HydrophobicContact CB-CG 4.3Å; Q630-E634 PolarHBondContact O-N 2.64Å; W631-E634 PolarHBondContact O-N 3.25Å; E634-R636 PolarHBondContact O-N 3.44Å; E634-K637 WeakPolarHBondContact O-CB 3.49Å; E634-K637 PolarHBondContact O-N 2.99Å; E634-K637 VanDerWaalsContact OE1-CD 3.26Å; E634-K637 WeakPolarHBondContact OE1-CD 3.39Å; E634-K637 IonicContact OE1-NZ 2.66Å; E634-K637 PolarHBondContact OE1-NZ 3.14Å; E634-K637 IonicContact OE2-NZ 2.68Å; E634-K637 PolarHBondContact OE2-NZ 3.28Å; E634-Y638 HydrophobicContact CB-CE2 4.44Å; E634-Y638 WeakPolarHBondContact O-CD2 3.32Å; E634-Y638 PolarHBondContact O-N 3.2Å
635	F	97.8	Very high	96.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.6	-47.8	173.3	173.1	-100.7	0	0	0	112.3	I480 A483 S484 A487 L588 V614 W631 Y638 L639	I480-F635 HydrophobicContact CG2-CE2 3.96Å; I480-F635 HydrophobicContact CG2-CZ 3.88Å; A483-F635 HydrophobicContact CB-CD2 3.9Å; A483-F635 HydrophobicContact CB-CE2 3.91Å; S484-F635 VanDerWaalsContact OG-CE2 3.3Å; S484-F635 WeakPolarHBondContact OG-CE2 3.3Å; A487-F635 HydrophobicContact CB-CB 4.03Å; L588-F635 HydrophobicContact CD2-CE1 4.42Å; L588-F635 HydrophobicContact CD2-CE2 4Å; L588-F635 HydrophobicContact CD2-CZ 3.77Å; V614-F635 HydrophobicContact CG1-CE1 3.99Å; V614-F635 HydrophobicContact CG2-CE1 4.35Å; W631-F635 HydrophobicContact CE3-CB 4.06Å; W631-F635 HydrophobicContact CH2-CB 4.19Å; W631-F635 AromaticContact CH2-CD2 3.84Å; W631-F635 HydrophobicContact CH2-CD2 3.84Å; W631-F635 HydrophobicContact CH2-CE2 4.41Å; W631-F635 AromaticContact CH2-CG 3.96Å; W631-F635 HydrophobicContact CH2-CG 3.96Å; W631-F635 HydrophobicContact CZ3-CB 3.84Å; W631-F635 HydrophobicContact CZ3-CD1 4.23Å; W631-F635 HydrophobicContact CZ3-CD2 4.18Å; W631-F635 AromaticContact CZ3-CG 3.81Å; W631-F635 HydrophobicContact CZ3-CG 3.81Å; W631-F635 VanDerWaalsContact O-CB 3.22Å; W631-F635 WeakPolarHBondContact O-CB 3.34Å; W631-F635 PolarHBondContact O-N 2.83Å; F635-Y638 PolarHBondContact O-N 2.76Å; F635-L639 HydrophobicContact CD1-CD1 4.4Å; F635-L639 HydrophobicContact CE1-CD1 3.65Å; F635-L639 HydrophobicContact CE2-CD1 3.96Å; F635-L639 HydrophobicContact CZ-CD1 3.4Å; F635-L639 VanDerWaalsContact CZ-CD1 3.4Å; F635-L639 HydrophobicContact CZ-CG 4.42Å; F635-L639 PolarHBondContact O-N 2.98Å
636	R	97.6	Very high	95.9	Very high	96 Å²	96	49.6 Å²	49.6	36%	0.362	27%	0.266	S	S	.	.	H	α-helix	trans	-58.7	-50.1	174.9	175.9	-179.4	173.4	147.1	17.2	111.3	I450 V452 L632 A633 E634 Y638 L639 E640	I450-R636 HydrophobicContact CD1-CB 3.85Å; I450-R636 HydrophobicContact CD1-CG 4.45Å; V452-R636 HydrophobicContact CG1-CG 4.45Å; V452-R636 HydrophobicContact CG2-CB 4.36Å; V452-R636 HydrophobicContact CG2-CG 4.31Å; L632-R636 WeakPolarHBondContact O-CB 3.35Å; L632-R636 PolarHBondContact O-N 2.69Å; A633-R636 PolarHBondContact O-N 3.12Å; E634-R636 PolarHBondContact O-N 3.44Å; R636-Y638 VanDerWaalsContact C-N 3.31Å; R636-Y638 PolarHBondContact O-N 2.96Å; R636-L639 PolarHBondContact O-N 3.14Å; R636-L639 VanDerWaalsContact O-N 3.12Å; R636-E640 HydrophobicContact CG-CG 4.1Å; R636-E640 WeakPolarHBondContact CG-OE2 3.44Å; R636-E640 IonicContact CZ-OE1 3.48Å; R636-E640 VanDerWaalsContact CZ-OE1 3.3Å; R636-E640 IonicContact CZ-OE2 2.7Å; R636-E640 IonicContact NE-OE1 3.55Å; R636-E640 PolarHBondContact NE-OE1 2.78Å; R636-E640 VanDerWaalsContact NE-OE1 3.07Å; R636-E640 IonicContact NE-OE2 3.17Å; R636-E640 PolarHBondContact NE-OE2 3.37Å; R636-E640 IonicContact NH2-OE1 3.31Å; R636-E640 PolarHBondContact NH2-OE1 2.81Å; R636-E640 IonicContact NH2-OE2 2.97Å; R636-E640 PolarHBondContact NH2-OE2 3.09Å; R636-E640 WeakPolarHBondContact O-CB 3.42Å; R636-E640 PolarHBondContact O-N 2.97Å
637	K	97.1	Very high	95.1	Very high	95 Å²	95	55.2 Å²	55.2	41%	0.413	29%	0.288	S	S	.	.	H	α-helix	trans	-57.7	-40.2	179.3	169.3	-168	173.8	-163.5	0	112.4	A633 E634 K641	A633-K637 WeakPolarHBondContact O-CB 3.44Å; A633-K637 PolarHBondContact O-N 3.33Å; E634-K637 WeakPolarHBondContact O-CB 3.49Å; E634-K637 PolarHBondContact O-N 2.99Å; E634-K637 VanDerWaalsContact OE1-CD 3.26Å; E634-K637 WeakPolarHBondContact OE1-CD 3.39Å; E634-K637 IonicContact OE1-NZ 2.66Å; E634-K637 PolarHBondContact OE1-NZ 3.14Å; E634-K637 IonicContact OE2-NZ 2.68Å; E634-K637 PolarHBondContact OE2-NZ 3.28Å; K637-K641 PolarHBondContact O-N 3.47Å; K637-K641 VanDerWaalsContact O-N 3.08Å
638	Y	97	Very high	95	Very high	8 Å²	8	57.5 Å²	57.5	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-64.7	-39.5	174.6	-79.4	-58.3	0	0	0	112.7	L486 K490 E634 F635 R636 K641 P642 T644 M645	L486-Y638 HydrophobicContact CB-CD2 4.11Å; L486-Y638 HydrophobicContact CB-CE1 4.23Å; L486-Y638 HydrophobicContact CB-CE2 3.63Å; L486-Y638 HydrophobicContact CD1-CD1 4.22Å; L486-Y638 HydrophobicContact CD1-CE1 3.91Å; K490-Y638 WeakPolarHBondContact CE-OH 3.25Å; K490-Y638 HydrophobicContact CG-CE2 4.32Å; E634-Y638 HydrophobicContact CB-CE2 4.44Å; E634-Y638 WeakPolarHBondContact O-CD2 3.32Å; E634-Y638 PolarHBondContact O-N 3.2Å; F635-Y638 PolarHBondContact O-N 2.76Å; R636-Y638 VanDerWaalsContact C-N 3.31Å; R636-Y638 PolarHBondContact O-N 2.96Å; Y638-K641 CarbonylContact O-C 3.51Å; Y638-P642 WeakPolarHBondContact O-CA 3.43Å; Y638-T644 WeakPolarHBondContact CD1-OG1 3.31Å; Y638-T644 WeakPolarHBondContact CE1-O 3.04Å; Y638-M645 HydrophobicContact CD1-CG 3.89Å; Y638-M645 HydrophobicContact CG-CG 4.43Å; Y638-M645 WeakPolarHBondContact O-CE 3.15Å
639	L	96.4	Very high	94.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-77	-44.5	177.6	-70.6	177.2	0	0	0	113	V452 M454 V457 F479 I480 A483 M612 F635 R636 K641 P642 M645	V452-L639 HydrophobicContact CG1-CB 3.76Å; V452-L639 HydrophobicContact CG1-CD1 4.02Å; M454-L639 HydrophobicContact CE-CD2 4.46Å; M454-L639 HydrophobicContact SD-CB 4.5Å; M454-L639 HydrophobicContact SD-CD1 4.23Å; V457-L639 HydrophobicContact CG2-CB 4.2Å; V457-L639 HydrophobicContact CG2-CD2 4.12Å; V457-L639 WeakPolarHBondContact CG2-O 3.32Å; F479-L639 HydrophobicContact CB-CD2 4.23Å; I480-L639 HydrophobicContact CG1-CD1 4.27Å; I480-L639 HydrophobicContact CG1-CD2 4.22Å; A483-L639 HydrophobicContact CB-CD2 3.97Å; A483-L639 HydrophobicContact CB-CG 4.01Å; M612-L639 HydrophobicContact CE-CD1 4.1Å; F635-L639 HydrophobicContact CD1-CD1 4.4Å; F635-L639 HydrophobicContact CE1-CD1 3.65Å; F635-L639 HydrophobicContact CE2-CD1 3.96Å; F635-L639 HydrophobicContact CZ-CD1 3.4Å; F635-L639 VanDerWaalsContact CZ-CD1 3.4Å; F635-L639 HydrophobicContact CZ-CG 4.42Å; F635-L639 PolarHBondContact O-N 2.98Å; R636-L639 PolarHBondContact O-N 3.14Å; R636-L639 VanDerWaalsContact O-N 3.12Å; L639-K641 PolarHBondContact O-N 3.45Å; L639-P642 WeakPolarHBondContact O-CD 3.49Å; L639-P642 WeakPolarHBondContact O-CG 3.47Å; L639-M645 HydrophobicContact CD2-CE 3.96Å
640	E	96.1	Very high	94.8	Very high	53 Å²	53	61.1 Å²	61.1	25%	0.248	31%	0.309	C	S	.	.	H	α-helix	trans	-67.9	-19	178.3	-68.9	-174.3	148.8	0	0	112.6	V452 N453 R636	V452-E640 HydrophobicContact CG1-CG 4.1Å; N453-E640 HydrophobicContact CB-CG 4.25Å; N453-E640 PolarHBondContact N-OE1 2.79Å; R636-E640 HydrophobicContact CG-CG 4.1Å; R636-E640 WeakPolarHBondContact CG-OE2 3.44Å; R636-E640 IonicContact CZ-OE1 3.48Å; R636-E640 VanDerWaalsContact CZ-OE1 3.3Å; R636-E640 IonicContact CZ-OE2 2.7Å; R636-E640 IonicContact NE-OE1 3.55Å; R636-E640 PolarHBondContact NE-OE1 2.78Å; R636-E640 VanDerWaalsContact NE-OE1 3.07Å; R636-E640 IonicContact NE-OE2 3.17Å; R636-E640 PolarHBondContact NE-OE2 3.37Å; R636-E640 IonicContact NH2-OE1 3.31Å; R636-E640 PolarHBondContact NH2-OE1 2.81Å; R636-E640 IonicContact NH2-OE2 2.97Å; R636-E640 PolarHBondContact NH2-OE2 3.09Å; R636-E640 WeakPolarHBondContact O-CB 3.42Å; R636-E640 PolarHBondContact O-N 2.97Å
641	K	95.8	Very high	94.6	Very high	142 Å²	142	58.3 Å²	58.3	62%	0.617	30%	0.298	S	S	*	.	S	Bend	trans	-136.2	76	174.1	-62.2	-175	-179.5	179.6	0	111.2	K637 Y638 L639 V643 T644	K637-K641 PolarHBondContact O-N 3.47Å; K637-K641 VanDerWaalsContact O-N 3.08Å; Y638-K641 CarbonylContact O-C 3.51Å; L639-K641 PolarHBondContact O-N 3.45Å; K641-V643 PolarHBondContact O-N 3.19Å; K641-T644 HydrophobicContact CB-CG2 3.97Å; K641-T644 WeakPolarHBondContact O-CB 3.47Å; K641-T644 PolarHBondContact O-N 2.99Å; K641-T644 PolarHBondContact O-OG1 2.93Å
642	P	94.3	Very high	94.4	Very high	11 Å²	11	61.9 Å²	61.9	7%	0.071	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-56.1	-29.5	-171.3	-26.7	35.2	0	0	0	115.2	E456 V457 V460 Y638 L639 T644 M645	E456-P642 HydrophobicContact CB-CG 4.06Å; V457-P642 HydrophobicContact CG2-CG 4.05Å; V460-P642 HydrophobicContact CG2-CB 4.27Å; V460-P642 HydrophobicContact CG2-CG 4.35Å; Y638-P642 WeakPolarHBondContact O-CA 3.43Å; L639-P642 WeakPolarHBondContact O-CD 3.49Å; L639-P642 WeakPolarHBondContact O-CG 3.47Å; P642-T644 PolarHBondContact O-N 3.29Å; P642-T644 VanDerWaalsContact O-N 3.15Å; P642-M645 WeakPolarHBondContact O-CB 3.45Å; P642-M645 WeakPolarHBondContact O-CG 3.3Å; P642-M645 PolarHBondContact O-N 3.16Å
643	V	93.6	Very high	94.1	Very high	105 Å²	105	65.7 Å²	65.7	64%	0.636	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-57.9	-26.7	176.3	-170.5	0	0	0	0	112.1	K641 M645 L646	K641-V643 PolarHBondContact O-N 3.19Å; V643-M645 PolarHBondContact O-N 3.06Å; V643-L646 HydrophobicContact CG1-CD1 4.34Å; V643-L646 WeakPolarHBondContact O-CB 3.49Å; V643-L646 PolarHBondContact O-N 3.07Å
644	T	92.6	Very high	93.9	Very high	35 Å²	35	66.6 Å²	66.6	22%	0.215	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-69.1	-14.7	176.6	63	0	0	0	0	113.8	Y638 K641 P642 L646 L647	Y638-T644 WeakPolarHBondContact CD1-OG1 3.31Å; Y638-T644 WeakPolarHBondContact CE1-O 3.04Å; K641-T644 HydrophobicContact CB-CG2 3.97Å; K641-T644 WeakPolarHBondContact O-CB 3.47Å; K641-T644 PolarHBondContact O-N 2.99Å; K641-T644 PolarHBondContact O-OG1 2.93Å; P642-T644 PolarHBondContact O-N 3.29Å; P642-T644 VanDerWaalsContact O-N 3.15Å; T644-L646 PolarHBondContact O-N 2.83Å; T644-L647 PolarHBondContact O-N 3.35Å
645	M	91.9	Very high	93.6	Very high	19 Å²	19	68.2 Å²	68.2	9%	0.094	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-73	-1.8	172.6	-56.5	-171	-157.9	0	0	113.7	F479 K482 A483 L486 Y638 L639 P642 V643	F479-M645 HydrophobicContact CB-CE 4.37Å; F479-M645 HydrophobicContact CD1-CE 4.27Å; K482-M645 HydrophobicContact CB-SD 4.25Å; K482-M645 HydrophobicContact CG-SD 4.07Å; A483-M645 HydrophobicContact CB-CE 3.89Å; L486-M645 HydrophobicContact CD1-CB 3.84Å; L486-M645 HydrophobicContact CD1-CG 4.13Å; Y638-M645 HydrophobicContact CD1-CG 3.89Å; Y638-M645 HydrophobicContact CG-CG 4.43Å; Y638-M645 WeakPolarHBondContact O-CE 3.15Å; L639-M645 HydrophobicContact CD2-CE 3.96Å; P642-M645 WeakPolarHBondContact O-CB 3.45Å; P642-M645 WeakPolarHBondContact O-CG 3.3Å; P642-M645 PolarHBondContact O-N 3.16Å; V643-M645 PolarHBondContact O-N 3.06Å
646	L	87.4	Confident	93.3	Very high	150 Å²	150	73.9 Å²	73.9	79%	0.785	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-94.4	2.2	175.4	-56.1	176.1	0	0	0	113.1	V643 T644	V643-L646 HydrophobicContact CG1-CD1 4.34Å; V643-L646 WeakPolarHBondContact O-CB 3.49Å; V643-L646 PolarHBondContact O-N 3.07Å; T644-L646 PolarHBondContact O-N 2.83Å
647	L	79.4	Confident	92.9	Very high	173 Å²	173	71.9 Å²	71.9	91%	0.906	37%	0.365	S	S	*	.			trans	-112.5	0	-177.6	-58.6	176.4	0	0	0	112.2	T644	T644-L647 PolarHBondContact O-N 3.35Å

Retrieved 647 of 647 residues in 185.5 ms (Link to these results)

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