A0A077ZC47_TRITR Loading...

C2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC47, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 590 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.1	Very low	38.4	Very low	240 Å²	240	158.2 Å²	158.2	100%	1.182	81%	0.813	S	S	*	*				0	126.3	0	-66.4	171.9	176.5	0	0	108
2	S	34.9	Very low	38.5	Very low	115 Å²	115	152.9 Å²	152.9	80%	0.804	80%	0.801	S	S	*	*			cis	-165.5	152.5	-34.3	-87.6	0	0	0	0	105.8
3	D	33.8	Very low	38.7	Very low	140 Å²	140	153 Å²	153	75%	0.749	80%	0.803	S	S	*	*			trans	-62.7	155.8	-167.4	-48.2	-94.2	0	0	0	115
4	R	41.6	Very low	39	Very low	244 Å²	244	151.6 Å²	151.6	92%	0.921	80%	0.796	S	S	*	*				-158	135.3	125.1	-110.1	162.2	-162.4	-160.5	2.2	113.5
5	W	32	Very low	39.4	Very low	210 Å²	210	150.7 Å²	150.7	80%	0.795	79%	0.79	S	S	*	*			trans	-89.1	150	165.1	-72.7	68.3	0	0	0	109.7
6	I	47.1	Very low	39.5	Very low	164 Å²	164	150.4 Å²	150.4	84%	0.841	79%	0.79	S	S	*	*			trans	-132.1	132	154	-67.9	-175.7	0	0	0	107
7	H	35.7	Very low	39.5	Very low	151 Å²	151	149.4 Å²	149.4	70%	0.699	78%	0.78	S	S	*	*			trans	-83.3	153.2	168.9	-90.4	-100.5	0	0	0	110
8	D	44	Very low	40.1	Very low	159 Å²	159	151.8 Å²	151.8	85%	0.85	79%	0.786	S	S	*	*			trans	-140.1	159.8	148.3	-139.4	-29.6	0	0	0	110.8
9	V	36.6	Very low	40	Very low	121 Å²	121	154.7 Å²	154.7	73%	0.733	79%	0.786	S	S	*	*			trans	-146.4	131.7	-162.1	174.9	0	0	0	0	111.4
10	S	39.2	Very low	40.1	Very low	99 Å²	99	153.9 Å²	153.9	69%	0.692	79%	0.793	S	S	*	*			trans	177.7	143.4	136.1	-172.1	0	0	0	0	113.1
11	S	38.6	Very low	40	Very low	97 Å²	97	149.7 Å²	149.7	68%	0.678	79%	0.788	S	S	*	*			trans	49	146.2	144.7	57.5	0	0	0	0	122.6
12	S	39.1	Very low	40.1	Very low	95 Å²	95	147.3 Å²	147.3	66%	0.664	77%	0.771	S	S	*	*			cis	-170.3	-174.7	-13.6	-86.5	0	0	0	0	107.8
13	D	42	Very low	40.5	Very low	154 Å²	154	150 Å²	150	82%	0.824	77%	0.771	S	S	*	*			trans	74.7	135.3	160.3	-47.2	-19.5	0	0	0	116.5
14	D	42	Very low	40.6	Very low	133 Å²	133	146.6 Å²	146.6	71%	0.711	77%	0.768	S	S	*	*			cis	-163.6	165.5	-17.1	-147.4	-15.1	0	0	0	110.7
15	I	45	Very low	40.4	Very low	138 Å²	138	141.1 Å²	141.1	71%	0.708	77%	0.765	S	S	*	*			trans	59.9	128.2	160	-62.8	154.7	0	0	0	116.5
16	D	41.8	Very low	41.2	Very low	146 Å²	146	139.3 Å²	139.3	78%	0.781	77%	0.769	S	S	*	*			cis	-157.8	152.5	48.9	-151.7	-9.4	0	0	0	112.9
17	E	38.6	Very low	40.8	Very low	134 Å²	134	140.6 Å²	140.6	63%	0.626	77%	0.768	S	S	*	*			trans	-112.2	136.1	179.2	-121.4	-151.5	146.9	0	0	112.1	R19	E17-R19 WeakPolarHBondContact OE1-CD 3.23Å; E17-R19 WeakPolarHBondContact OE1-CG 3.36Å; E17-R19 IonicContact OE1-NE 2.65Å; E17-R19 PolarHBondContact OE1-NE 3.47Å
18	H	51.1	Low	41	Very low	192 Å²	192	143 Å²	143	89%	0.889	78%	0.777	S	S	*	*			trans	-143.2	95.3	154.2	-99.5	-56.3	0	0	0	111.6
19	R	38	Very low	40.9	Very low	207 Å²	207	141.9 Å²	141.9	78%	0.781	78%	0.776	S	S	*	*			trans	-74.9	137.4	166.3	-78.2	174.5	167	-143.1	-4.3	111.4	E17	E17-R19 WeakPolarHBondContact OE1-CD 3.23Å; E17-R19 WeakPolarHBondContact OE1-CG 3.36Å; E17-R19 IonicContact OE1-NE 2.65Å; E17-R19 PolarHBondContact OE1-NE 3.47Å
20	C	42.6	Very low	40.9	Very low	138 Å²	138	144.3 Å²	144.3	93%	0.932	78%	0.783	S	S	*	*			trans	-147.3	136.7	140.4	-93.4	0	0	0	0	107.6
21	G	36.7	Very low	41	Very low	67 Å²	67	143 Å²	143	69%	0.691	79%	0.785	S	S	*	*			trans	-161.1	155.4	179.4	0	0	0	0	0	110.9
22	F	42.3	Very low	40.9	Very low	189 Å²	189	146.5 Å²	146.5	83%	0.829	79%	0.788	S	S	*	*			trans	-145.4	166.1	173.8	-105.9	-83.4	0	0	0	110.6
23	H	42.6	Very low	40.9	Very low	173 Å²	173	147.7 Å²	147.7	80%	0.801	79%	0.787	S	S	*	*			trans	-40.3	161.9	-169.2	-47.8	-39.6	0	0	0	117.9
24	G	36.5	Very low	40.8	Very low	67 Å²	67	147.4 Å²	147.4	69%	0.691	78%	0.781	S	S	*	*			cis	165.6	154.1	0	0	0	0	0	0	110.7
25	P	38.1	Very low	40.5	Very low	129 Å²	129	148 Å²	148	84%	0.838	78%	0.779	S	S	*	*			trans	-97.4	149	-164.8	36.3	-35	0	0	0	115.2
26	I	47.6	Very low	40.1	Very low	173 Å²	173	147.5 Å²	147.5	89%	0.887	78%	0.777	S	S	*	*			trans	-123.9	135	164.8	-64.8	179.2	0	0	0	109.4
27	K	38.6	Very low	39.9	Very low	191 Å²	191	148.3 Å²	148.3	83%	0.83	78%	0.78	S	S	*	*			trans	-120.6	142	173.8	-68.4	-179.3	177.7	179.2	0	110.1
28	K	40.9	Very low	39.8	Very low	200 Å²	200	146.7 Å²	146.7	87%	0.87	78%	0.784	S	S	*	*			trans	158.5	145.7	154.4	-94.4	165.4	-178.3	-175.7	0	109.2
29	T	40.7	Very low	39.1	Very low	136 Å²	136	142.3 Å²	142.3	83%	0.834	78%	0.775	S	S	*	*			cis	-161.1	168.7	-26.1	2.2	0	0	0	0	108.4
30	I	37.1	Very low	39	Very low	172 Å²	172	136.6 Å²	136.6	88%	0.882	77%	0.767	S	S	*	*			trans	-74.6	156.4	-173.4	-83.8	165.1	0	0	0	115.2
31	G	41.6	Very low	38.8	Very low	72 Å²	72	138.7 Å²	138.7	74%	0.742	76%	0.762	S	S	*	*			trans	135.1	101.7	169.9	0	0	0	0	0	110.8
32	K	35.3	Very low	38.8	Very low	170 Å²	170	140.1 Å²	140.1	74%	0.739	76%	0.762	S	S	*	*			cis	90.9	140.7	24.9	-138.7	-167.6	169.7	-94.1	0	114.2
33	D	39.9	Very low	38.6	Very low	120 Å²	120	142.6 Å²	142.6	64%	0.642	77%	0.765	S	S	*	*			trans	69.8	149.7	175.4	-45	-26.1	0	0	0	115
34	E	39	Very low	38.1	Very low	148 Å²	148	138.1 Å²	138.1	69%	0.692	77%	0.767	S	S	*	*			cis	-165.1	155.4	-34.3	-123.5	-159.7	120	0	0	109.7
35	Q	37	Very low	38.2	Very low	146 Å²	146	145 Å²	145	68%	0.682	78%	0.778	S	S	*	*			trans	63.8	161.4	150.7	-72	-167.2	40.4	0	0	120.4
36	I	35.7	Very low	38	Very low	127 Å²	127	144.7 Å²	144.7	65%	0.651	78%	0.778	S	S	*	*			cis	-162.5	160.7	-34.2	-118.7	173.7	0	0	0	108.4
37	L	37.5	Very low	37.7	Very low	163 Å²	163	141.6 Å²	141.6	85%	0.853	77%	0.772	S	S	*	*			trans	65.5	157.2	171.4	-79.9	159.9	0	0	0	116.6
38	S	37.6	Very low	37.5	Very low	100 Å²	100	138.4 Å²	138.4	70%	0.699	77%	0.773	S	S	*	*			cis	-150.4	171.1	-1	48.6	0	0	0	0	114.2
39	S	35	Very low	37.6	Very low	101 Å²	101	137.6 Å²	137.6	71%	0.706	77%	0.773	S	S	*	*			trans	-42	164	160	47.7	0	0	0	0	117.3
40	S	35.9	Very low	37.5	Very low	87 Å²	87	142.6 Å²	142.6	61%	0.608	78%	0.776	S	S	*	*			cis	-174.5	175	-6.9	49.7	0	0	0	0	110.9
41	H	38.8	Very low	37.5	Very low	181 Å²	181	145.8 Å²	145.8	84%	0.838	78%	0.777	S	S	*	*			trans	68.4	154.9	163	-64.7	-17.3	0	0	0	117.6
42	S	36.5	Very low	37.7	Very low	97 Å²	97	150.1 Å²	150.1	68%	0.678	78%	0.782	S	S	*	*			cis	-164.5	-177.1	-24.4	62.6	0	0	0	0	110.4
43	R	38.4	Very low	38.1	Very low	241 Å²	241	149.5 Å²	149.5	91%	0.909	79%	0.787	S	S	*	*			trans	67.9	86.4	167.3	-67.5	-179.8	172.1	-178.8	-2.7	117.3
44	G	32	Very low	38.4	Very low	80 Å²	80	149 Å²	149	83%	0.825	79%	0.79	S	S	*	*			trans	-70	-176.3	168.3	0	0	0	0	0	115.9
45	K	39	Very low	38.8	Very low	212 Å²	212	147.6 Å²	147.6	92%	0.922	79%	0.793	S	S	*	*			trans	-128	144.4	163.8	-83.1	177.3	173.8	175	0	108.4
46	S	32.9	Very low	39.1	Very low	122 Å²	122	146.7 Å²	146.7	85%	0.853	80%	0.798	S	S	*	*			trans	-89.9	140.8	175	-172.6	0	0	0	0	110.6
47	S	41.2	Very low	39.6	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	80%	0.796	S	S	*	*			trans	-150.1	124.7	168.7	58.8	0	0	0	0	109.7	Q49	S47-Q49 PolarHBondContact O-N 3.12Å
48	S	34.5	Very low	40.1	Very low	124 Å²	124	142 Å²	142	87%	0.867	78%	0.779	S	S	*	*			trans	-73.2	119.6	-171.2	-56.6	0	0	0	0	112.6
49	Q	43.3	Very low	40.3	Very low	183 Å²	183	143.4 Å²	143.4	86%	0.855	78%	0.778	S	S	*	*			trans	-119.3	123.6	159.9	-79.7	-176.4	-27.1	0	0	109.5	S47 R51	S47-Q49 PolarHBondContact O-N 3.12Å; Q49-R51 PolarHBondContact O-N 3.43Å; Q49-R51 VanDerWaalsContact O-N 3.16Å
50	R	39.6	Very low	40.8	Very low	241 Å²	241	142 Å²	142	91%	0.909	76%	0.763	S	S	*	*			trans	-61.8	114.7	174.8	-74.5	-176.1	173.6	-163.6	-1.2	108.9	L52	R50-L52 PolarHBondContact O-N 3.49Å
51	R	37.6	Very low	41.1	Very low	240 Å²	240	143.9 Å²	143.9	91%	0.906	77%	0.77	S	S	*	*			trans	-74.8	104.8	164.1	-64.6	-173.6	-174.4	-166.1	2	107.7	Q49 L53	Q49-R51 PolarHBondContact O-N 3.43Å; Q49-R51 VanDerWaalsContact O-N 3.16Å; R51-L53 PolarHBondContact O-N 3Å
52	L	45.7	Very low	41.3	Very low	162 Å²	162	139.1 Å²	139.1	85%	0.848	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-64.1	130.7	163.1	-66.7	171.7	0	0	0	107.7	R50	R50-L52 PolarHBondContact O-N 3.49Å
53	L	42.3	Very low	41.3	Very low	158 Å²	158	137.4 Å²	137.4	83%	0.827	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-70.8	148.8	173.6	-66.5	172.4	0	0	0	109.4	R51	R51-L53 PolarHBondContact O-N 3Å
54	P	46.5	Very low	41.1	Very low	109 Å²	109	132 Å²	132	71%	0.708	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-62.5	147.2	169	29	-34.6	0	0	0	109.8
55	P	47.9	Very low	41.3	Very low	118 Å²	118	131.5 Å²	131.5	77%	0.766	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-63.1	140.1	177.1	27.3	-34.3	0	0	0	110.7
56	T	43.9	Very low	41.2	Very low	128 Å²	128	131 Å²	131	79%	0.785	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-65.8	137.7	174.9	23.4	0	0	0	0	111.2
57	P	46.1	Very low	41.5	Very low	93 Å²	93	130.4 Å²	130.4	60%	0.604	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-71	134.9	174.8	29.6	-33.8	0	0	0	110.7
58	I	47.3	Very low	41.2	Very low	98 Å²	98	131.1 Å²	131.1	50%	0.503	74%	0.744	S	S	.	*	P	Polyproline II helix	trans	-84.1	123.4	172.2	-57.8	176.1	0	0	0	108.1	L60	I58-L60 HydrophobicContact CG2-CD2 3.91Å; I58-L60 HydrophobicContact CG2-CG 4.12Å
59	L	41.6	Very low	41.5	Very low	129 Å²	129	136.8 Å²	136.8	68%	0.675	75%	0.746	S	S	*	*			trans	-95.5	94.6	176.7	-177.7	68.6	0	0	0	110.1	V61	L59-V61 HydrophobicContact CD2-CG2 4.38Å; L59-V61 HydrophobicContact CG-CG2 4.27Å; L59-V61 PolarHBondContact O-N 3.47Å
60	L	46.7	Very low	41.4	Very low	73 Å²	73	135.3 Å²	135.3	38%	0.382	75%	0.745	S	S	.	*			trans	-83	101.1	173.5	-63.7	-179.8	0	0	0	110.6	I58 V62	I58-L60 HydrophobicContact CG2-CD2 3.91Å; I58-L60 HydrophobicContact CG2-CG 4.12Å; L60-V62 VanDerWaalsContact C-N 3.28Å; L60-V62 HydrophobicContact CB-CG2 4.25Å; L60-V62 PolarHBondContact O-N 3.41Å
61	V	40.7	Very low	41.7	Very low	126 Å²	126	132.3 Å²	132.3	76%	0.764	74%	0.743	S	S	*	*			trans	-76.4	82.4	169.5	-175.7	0	0	0	0	108.7	L59 G63	L59-V61 HydrophobicContact CD2-CG2 4.38Å; L59-V61 HydrophobicContact CG-CG2 4.27Å; L59-V61 PolarHBondContact O-N 3.47Å; V61-G63 VanDerWaalsContact C-N 3.29Å; V61-G63 PolarHBondContact O-N 3.01Å
62	V	44.8	Very low	42	Very low	81 Å²	81	129 Å²	129	49%	0.491	74%	0.743	S	S	.	*			trans	-73.4	86.3	175.5	-174.3	0	0	0	0	109.4	L60	L60-V62 VanDerWaalsContact C-N 3.28Å; L60-V62 HydrophobicContact CB-CG2 4.25Å; L60-V62 PolarHBondContact O-N 3.41Å
63	G	35.5	Very low	41.8	Very low	60 Å²	60	126 Å²	126	62%	0.619	74%	0.736	S	S	*	*			trans	-59.5	145.6	168	0	0	0	0	0	111.3	V61 G65	V61-G63 VanDerWaalsContact C-N 3.29Å; V61-G63 PolarHBondContact O-N 3.01Å; G63-G65 PolarHBondContact O-N 3.04Å
64	S	34.9	Very low	42.3	Very low	128 Å²	128	125.5 Å²	125.5	90%	0.895	73%	0.734	S	S	*	*	S	Bend	trans	-90.7	92.8	-175.5	53.6	0	0	0	0	111.9
65	G	35	Very low	42.5	Very low	70 Å²	70	129 Å²	129	72%	0.722	74%	0.741	S	S	*	*			trans	92.9	111.6	159.3	0	0	0	0	0	115.9	G63	G63-G65 PolarHBondContact O-N 3.04Å
66	E	36.5	Very low	42.8	Very low	200 Å²	200	131.6 Å²	131.6	94%	0.935	75%	0.748	S	S	*	*			trans	-147.9	141.3	149.9	-110.5	164.2	159.6	0	0	107.6
67	S	40	Very low	43.3	Very low	111 Å²	111	133.2 Å²	133.2	78%	0.776	75%	0.752	S	S	*	*			trans	-87.5	153.6	179.1	-85.9	0	0	0	0	111
68	P	35.6	Very low	43.9	Very low	121 Å²	121	137.1 Å²	137.1	79%	0.786	77%	0.768	S	S	*	*			trans	-60	142.9	167.2	28.7	-34.5	0	0	0	109.8
69	R	40.4	Very low	44.3	Very low	243 Å²	243	139.2 Å²	139.2	92%	0.917	78%	0.78	S	S	*	*			trans	-117.3	141.8	161.7	-77.3	-172	176.4	176	0.6	108.4
70	D	40.8	Very low	45	Very low	153 Å²	153	140.5 Å²	140.5	82%	0.818	79%	0.788	S	S	*	*			trans	-76.3	162.4	-177.9	-51.8	-85.5	0	0	0	112.3
71	M	45.5	Very low	45.5	Very low	177 Å²	177	141.6 Å²	141.6	87%	0.872	80%	0.801	S	S	*	*			trans	0.9	131.9	161.6	-61.6	175.3	170.8	0	0	119.4
72	D	44.2	Very low	46	Very low	171 Å²	171	141.1 Å²	141.1	91%	0.914	80%	0.801	S	S	*	*				-127.9	159.4	124.4	-89.9	-48.7	0	0	0	108.1
73	S	41.9	Very low	46.2	Very low	100 Å²	100	142.8 Å²	142.8	70%	0.699	81%	0.813	S	S	*	*			trans	-92.3	166.5	-173.6	54.7	0	0	0	0	113.9
74	D	51.8	Low	46.7	Very low	146 Å²	146	145.1 Å²	145.1	78%	0.781	82%	0.82	S	S	*	*			trans	168.3	103	142.5	-80.3	-12.4	0	0	0	105
75	E	51.3	Low	47	Very low	184 Å²	184	149.2 Å²	149.2	86%	0.86	82%	0.816	S	S	*	*				62.6	96.2	85.4	-70.8	-163.2	174.2	0	0	114.1
76	D	54.5	Low	47.3	Very low	172 Å²	172	152.8 Å²	152.8	92%	0.92	81%	0.814	S	S	*	*			trans	-161.1	133.8	149.2	-105.9	-30.4	0	0	0	107.7
77	D	54.7	Low	47.9	Very low	161 Å²	161	148.4 Å²	148.4	86%	0.861	81%	0.805	S	S	*	*			trans	-85.7	154.6	-174.7	-65.7	-73.6	0	0	0	113.5
78	D	57.8	Low	48.1	Very low	176 Å²	176	151.3 Å²	151.3	94%	0.941	81%	0.806	S	S	*	*			trans	-162.7	146.6	135.2	-115.9	-27.1	0	0	0	112.4
79	D	55.9	Low	48.4	Very low	141 Å²	141	154.4 Å²	154.4	75%	0.754	81%	0.808	S	S	*	*			trans	-90.6	139.7	-164.4	-154.3	-15.5	0	0	0	113.5
80	D	57.5	Low	48.7	Very low	157 Å²	157	147.9 Å²	147.9	84%	0.84	80%	0.795	S	S	*	*			trans	-163.7	153.8	135.5	-145.4	-19.6	0	0	0	112.6
81	S	55.7	Low	48.7	Very low	95 Å²	95	147.4 Å²	147.4	66%	0.664	79%	0.792	S	S	*	*			trans	-110	141.8	-158.3	-73.9	0	0	0	0	116.6
82	P	51.8	Low	48.9	Very low	117 Å²	117	144.7 Å²	144.7	76%	0.76	79%	0.791	S	S	*	*			trans	-104.5	-167.9	162.2	42.8	-35.4	0	0	0	110.8
83	P	49.8	Very low	49.1	Very low	115 Å²	115	143.9 Å²	143.9	75%	0.747	79%	0.786	S	S	*	*			cis	-125.6	-170.4	-23.1	34	-15.4	0	0	0	112.1
84	S	44.3	Very low	49.5	Very low	109 Å²	109	149 Å²	149	76%	0.762	80%	0.796	S	S	*	*				154.1	166.4	126.9	59.9	0	0	0	0	114.7
85	R	43.1	Very low	49.8	Very low	215 Å²	215	149.1 Å²	149.1	81%	0.811	80%	0.796	S	S	*	*			trans	85.4	146.4	175.7	-52.5	-166.6	109.4	145.7	6.5	117.5
86	E	41.3	Very low	49.4	Very low	145 Å²	145	147.1 Å²	147.1	68%	0.678	79%	0.791	S	S	*	*			cis	175.9	152.5	-33.2	-111.8	175.2	133.4	0	0	107.4
87	S	47.2	Very low	49	Very low	107 Å²	107	143.1 Å²	143.1	75%	0.748	78%	0.777	S	S	*	*			trans	65.6	159	164	77.5	0	0	0	0	118.8
88	H	45.1	Very low	48.5	Very low	172 Å²	172	139.8 Å²	139.8	80%	0.796	77%	0.766	S	S	*	*			cis	-167.7	-174.2	-33.8	-99.2	-54.1	0	0	0	108.5
89	F	41.9	Very low	48.1	Very low	186 Å²	186	137.6 Å²	137.6	82%	0.816	76%	0.759	S	S	*	*			trans	75.7	113.1	176.3	-79.4	-114.4	0	0	0	114.4
90	V	47	Very low	48	Very low	106 Å²	106	136.9 Å²	136.9	64%	0.642	76%	0.762	S	S	*	*				66.4	144.2	59	-49.7	0	0	0	0	113.5
91	D	41.1	Very low	47.2	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	76%	0.761	S	S	*	*			cis	-162.3	164.2	-9.5	-102.1	-14.3	0	0	0	107.9
92	S	49.3	Very low	46.7	Very low	120 Å²	120	134.9 Å²	134.9	84%	0.839	76%	0.761	S	S	*	*			trans	160.7	129.3	142.5	-73.9	0	0	0	0	113.9
93	D	48.7	Very low	46.3	Very low	154 Å²	154	135.1 Å²	135.1	82%	0.824	76%	0.76	S	S	*	*			trans	-90.1	167.7	177.7	-53.6	-82.1	0	0	0	115.2
94	F	50.5	Low	46	Very low	207 Å²	207	135.6 Å²	135.6	91%	0.908	76%	0.761	S	S	*	*			trans	-153.9	153.1	154.5	-136.3	-93.1	0	0	0	113.3
95	L	57.2	Low	45.9	Very low	148 Å²	148	136.9 Å²	136.9	78%	0.775	76%	0.759	S	S	*	*			trans	-112.9	172.5	-172.7	-46	173.8	0	0	0	111.3
96	D	43.3	Very low	46	Very low	142 Å²	142	131.9 Å²	131.9	76%	0.759	75%	0.752	S	S	*	*			cis	-151.3	-166.1	4.8	-157.2	30.6	0	0	0	107.2
97	S	46.1	Very low	46	Very low	89 Å²	89	129.6 Å²	129.6	62%	0.622	75%	0.753	S	S	*	*			cis	-160.4	167.1	9.7	70.3	0	0	0	0	114.4
98	S	43.4	Very low	45.7	Very low	90 Å²	90	131.1 Å²	131.1	63%	0.629	75%	0.752	S	S	*	*			trans	1.6	150.8	133.2	-52.8	0	0	0	0	120.4
99	T	50.8	Low	45.6	Very low	131 Å²	131	130.2 Å²	130.2	80%	0.804	75%	0.752	S	S	*	*			cis	-171.2	161.4	-7.7	23.8	0	0	0	0	109.8
100	P	52.1	Low	45.6	Very low	125 Å²	125	128.9 Å²	128.9	81%	0.812	75%	0.748	S	S	*	*			trans	-110.2	154.6	-171.8	39.6	-33.8	0	0	0	118.2
101	S	42.6	Very low	45.3	Very low	116 Å²	116	129.4 Å²	129.4	81%	0.811	75%	0.752	S	S	*	*			trans	-173.7	166.3	170.8	51.1	0	0	0	0	111.7
102	S	43.6	Very low	45.1	Very low	95 Å²	95	129.7 Å²	129.7	66%	0.664	75%	0.753	S	S	*	*			cis	-170.3	134.8	-33.3	55.9	0	0	0	0	113.3
103	T	43.9	Very low	44.9	Very low	122 Å²	122	128.8 Å²	128.8	75%	0.748	75%	0.745	S	S	*	*			trans	59.9	155.3	149.1	55.2	0	0	0	0	124.3
104	T	44.1	Very low	44.4	Very low	124 Å²	124	127.3 Å²	127.3	76%	0.761	75%	0.746	S	S	*	*			trans	68.5	147.9	150.7	40	0	0	0	0	120.6
105	D	42.2	Very low	44.2	Very low	136 Å²	136	122.9 Å²	122.9	73%	0.727	74%	0.738	S	S	*	*			cis	-162.8	148.2	-20.7	-137.6	24.6	0	0	0	114.5
106	V	45.4	Very low	43.2	Very low	110 Å²	110	121.6 Å²	121.6	67%	0.667	74%	0.741	S	S	*	*			trans	51.6	145.8	132	164	0	0	0	0	125.3
107	S	41.4	Very low	43.2	Very low	98 Å²	98	124.8 Å²	124.8	69%	0.685	74%	0.742	S	S	*	*			trans	78.3	154.6	154.6	-83.5	0	0	0	0	121
108	L	40.2	Very low	43	Very low	139 Å²	139	130.8 Å²	130.8	73%	0.728	75%	0.751	S	S	*	*			cis	-165.9	-171.6	-21.5	-119.2	175.7	0	0	0	110.2
109	L	42.9	Very low	42.7	Very low	153 Å²	153	130.1 Å²	130.1	80%	0.801	76%	0.758	S	S	*	*			trans	78.1	125	169.2	-47.7	176.4	0	0	0	116.5
110	Q	41.1	Very low	42.4	Very low	158 Å²	158	136 Å²	136	74%	0.738	77%	0.766	S	S	*	*			cis	105.6	139.2	6.4	-157.4	-178.3	-0.2	0	0	116.4
111	T	41.6	Very low	42	Very low	117 Å²	117	139.8 Å²	139.8	72%	0.718	77%	0.769	S	S	*	*			trans	75.6	153.6	178.1	79.8	0	0	0	0	115.8
112	N	37.2	Very low	42.3	Very low	150 Å²	150	142.3 Å²	142.3	80%	0.802	77%	0.773	S	S	*	*			cis	-154.5	164.6	-1.6	-122.2	-14	0	0	0	111.2
113	P	44	Very low	42.2	Very low	101 Å²	101	142.7 Å²	142.7	66%	0.656	77%	0.773	S	S	*	*			trans	-114	151.6	-173.9	39.2	-31	0	0	0	117.7
114	S	39.5	Very low	41.7	Very low	122 Å²	122	142.4 Å²	142.4	85%	0.853	78%	0.776	S	S	*	*			trans	67	173	156.8	-61.3	0	0	0	0	117.6
115	P	45.1	Very low	41.9	Very low	114 Å²	114	144.3 Å²	144.3	74%	0.74	78%	0.781	S	S	*	*			cis	-134.7	171.2	0.1	42.8	-26	0	0	0	118.1
116	C	37.4	Very low	41.9	Very low	122 Å²	122	143.1 Å²	143.1	82%	0.824	78%	0.78	S	S	*	*			trans	41	127.4	146.5	-62.7	0	0	0	0	124
117	R	42.8	Very low	41.5	Very low	209 Å²	209	147 Å²	147	79%	0.789	79%	0.791	S	S	*	*				-166.1	137.2	126.8	-109.9	-179.5	-173.8	-154.9	3.8	114.6
118	R	41.5	Very low	41.9	Very low	214 Å²	214	147.9 Å²	147.9	81%	0.808	80%	0.795	S	S	*	*			trans	36.5	130.5	147.8	-56.1	170.7	-172.6	-159	-1.4	119.3
119	G	37.8	Very low	41.9	Very low	76 Å²	76	146.1 Å²	146.1	78%	0.784	79%	0.794	S	S	*	*			cis	119.6	110.2	2.8	0	0	0	0	0	113.7
120	R	44.6	Very low	41.5	Very low	255 Å²	255	144.2 Å²	144.2	96%	0.962	79%	0.794	S	S	*	*			trans	-140.7	144.1	164.6	-75.8	-170.8	174.9	-178.2	-0.8	110.1
121	K	42.7	Very low	41.3	Very low	205 Å²	205	142.3 Å²	142.3	89%	0.891	80%	0.798	S	S	*	*			trans	-110.1	153.1	170.9	-65.1	178.2	174.9	-177.9	0	109.1
122	L	48.5	Very low	40.8	Very low	169 Å²	169	142.5 Å²	142.5	89%	0.885	80%	0.802	S	S	*	*			trans	178.4	161.7	140.9	-97	159.5	0	0	0	108.9
123	P	42.7	Very low	40.9	Very low	103 Å²	103	147 Å²	147	67%	0.669	81%	0.808	S	S	*	*				-119.7	168.5	-106.7	42.1	-33.1	0	0	0	115.9
124	S	33.8	Very low	40.4	Very low	116 Å²	116	151.6 Å²	151.6	81%	0.811	82%	0.818	S	S	*	*			trans	-75.4	140.2	163.9	52.5	0	0	0	0	112.5
125	L	46.8	Very low	40.2	Very low	163 Å²	163	154.2 Å²	154.2	85%	0.853	82%	0.821	S	S	*	*			trans	-131.7	160.1	165	-84.1	166.3	0	0	0	109.3
126	P	43.3	Very low	39.6	Very low	111 Å²	111	152.8 Å²	152.8	72%	0.721	81%	0.814	S	S	*	*			trans	-111.1	165.5	-139.7	40.3	-36.1	0	0	0	116
127	E	36	Very low	39.8	Very low	191 Å²	191	156.2 Å²	156.2	89%	0.893	82%	0.82	S	S	*	*			trans	-72.4	141.5	156.2	-71	-157.4	152.2	0	0	111.5
128	P	50.5	Low	39.6	Very low	118 Å²	118	153.6 Å²	153.6	77%	0.766	82%	0.817	S	S	*	*			trans	-109.7	116.3	156.1	33.3	-23.1	0	0	0	111.4
129	S	39.3	Very low	39.3	Very low	101 Å²	101	150.5 Å²	150.5	71%	0.706	82%	0.816	S	S	*	*			trans	-28.2	134.9	163.1	54.5	0	0	0	0	117.2
130	S	35.8	Very low	39.3	Very low	114 Å²	114	155.3 Å²	155.3	80%	0.797	82%	0.818	S	S	*	*			trans	4.6	124.2	143.2	58.7	0	0	0	0	119
131	S	36.1	Very low	38.9	Very low	118 Å²	118	147.8 Å²	147.8	83%	0.825	80%	0.804	S	S	*	*			trans	-145.9	125	148	-170.1	0	0	0	0	111.1
132	C	31.9	Very low	38.8	Very low	120 Å²	120	146.3 Å²	146.3	81%	0.811	81%	0.806	S	S	*	*			trans	-79.2	137.6	-179.1	-61.5	0	0	0	0	111.2
133	R	38.8	Very low	38.3	Very low	245 Å²	245	141.3 Å²	141.3	93%	0.925	80%	0.795	S	S	*	*			trans	-123.1	113.2	151.7	-74.4	-166.7	174.8	-167.7	-0.9	110.4
134	K	33.8	Very low	38.1	Very low	198 Å²	198	146.7 Å²	146.7	86%	0.861	81%	0.808	S	S	*	*			trans	-61.1	135.5	162.8	-70.5	174.3	174.7	175.7	0	108.4
135	L	35	Very low	38.2	Very low	176 Å²	176	144.8 Å²	144.8	92%	0.921	80%	0.799	S	S	*	*			trans	-121	111.1	141.1	-75.6	177.3	0	0	0	106.9
136	S	32.7	Very low	37.9	Very low	84 Å²	84	145.3 Å²	145.3	59%	0.587	80%	0.802	S	S	*	*			trans	-94.3	129.7	164.3	-176.7	0	0	0	0	107.4
137	M	41.3	Very low	37.7	Very low	194 Å²	194	144.5 Å²	144.5	96%	0.956	80%	0.804	S	S	*	*			trans	-126.2	127.6	151.5	-76.1	-165.9	70.2	0	0	107.3
138	Q	38.1	Very low	37.7	Very low	155 Å²	155	139.7 Å²	139.7	72%	0.724	80%	0.798	S	S	*	*			trans	-143.1	143.2	-166	-151.8	174.5	-12.4	0	0	106.6
139	L	34.9	Very low	37.5	Very low	149 Å²	149	139 Å²	139	78%	0.78	79%	0.793	S	S	*	*			trans	71	152.9	-178.7	-51.6	162.9	0	0	0	112.8
140	Q	39.9	Very low	37.5	Very low	177 Å²	177	140.9 Å²	140.9	83%	0.827	80%	0.795	S	S	*	*			cis	-142.4	150.2	18.3	-144.8	153.8	60.8	0	0	112
141	S	35.7	Very low	37.5	Very low	97 Å²	97	142.5 Å²	142.5	68%	0.678	79%	0.79	S	S	*	*			trans	-106.2	134.5	179.6	55.3	0	0	0	0	111.8
142	N	40	Very low	37.5	Very low	174 Å²	174	144.4 Å²	144.4	93%	0.93	79%	0.786	S	S	*	*			trans	-179.1	147.9	155.6	-88.5	-32.2	0	0	0	108.1
143	G	37.8	Very low	37.6	Very low	63 Å²	63	142.5 Å²	142.5	65%	0.649	77%	0.774	S	S	*	*			cis	153.6	131.5	-9.5	0	0	0	0	0	112.4
144	K	38.1	Very low	37.4	Very low	217 Å²	217	140.6 Å²	140.6	94%	0.943	77%	0.773	S	S	*	*			trans	75.3	160.4	177.1	-55.2	175.4	179.6	177.5	0	117.1
145	A	37.5	Very low	37.6	Very low	76 Å²	76	134.6 Å²	134.6	63%	0.628	77%	0.767	S	S	*	*			cis	-176.4	164.5	-34	0	0	0	0	0	110.1
146	L	40.4	Very low	37.9	Very low	173 Å²	173	134.2 Å²	134.2	91%	0.906	77%	0.765	S	S	*	*			trans	65.6	154	173.8	-77.8	67.8	0	0	0	115.4
147	A	38.2	Very low	38.2	Very low	94 Å²	94	135.2 Å²	135.2	78%	0.777	77%	0.772	S	S	*	*			cis	-160	168.8	-23.7	0	0	0	0	0	109.1
148	A	35.5	Very low	38.1	Very low	91 Å²	91	135.9 Å²	135.9	75%	0.752	76%	0.764	S	S	*	*			trans	-117.9	-173.9	175.8	0	0	0	0	0	109.1
149	P	47.4	Very low	38.4	Very low	103 Å²	103	135 Å²	135	67%	0.669	76%	0.764	S	S	*	*			cis	-143.7	-162.3	5.4	40.7	-17.8	0	0	0	116.2
150	D	37.9	Very low	38.7	Very low	141 Å²	141	132.3 Å²	132.3	75%	0.754	76%	0.758	S	S	*	*			trans	87	122.4	147.2	-65.7	-14.4	0	0	0	125.1
151	E	36.1	Very low	38.7	Very low	148 Å²	148	129.4 Å²	129.4	69%	0.692	75%	0.752	S	S	*	*			trans	76.3	123.3	130.6	-70.8	-84.5	85.8	0	0	123.9
152	Q	35.8	Very low	39.2	Very low	157 Å²	157	130.4 Å²	130.4	73%	0.734	76%	0.755	S	S	*	*			trans	66.8	147.1	146.4	-62.9	-175.6	40.7	0	0	120.2
153	S	34.7	Very low	39.2	Very low	80 Å²	80	132.1 Å²	132.1	56%	0.559	75%	0.748	S	S	*	*			cis	-167.3	168.8	-13.4	51.7	0	0	0	0	112.7
154	F	34	Very low	39.4	Very low	206 Å²	206	136.6 Å²	136.6	90%	0.904	75%	0.752	S	S	*	*			trans	68.5	152.1	169.4	-61.7	-75.7	0	0	0	120.3
155	G	38.2	Very low	39.5	Very low	71 Å²	71	132.7 Å²	132.7	73%	0.732	74%	0.739	S	S	*	*			trans	-177.2	-39	-178.3	0	0	0	0	0	119.7
156	L	41.1	Very low	39.3	Very low	168 Å²	168	134.6 Å²	134.6	88%	0.88	75%	0.747	S	S	*	*			trans	66.9	155	171.6	-62.6	171.7	0	0	0	121.2
157	S	38.7	Very low	39.7	Very low	106 Å²	106	133.7 Å²	133.7	74%	0.741	74%	0.74	S	S	*	*			trans	71.6	141.3	158.9	-85.3	0	0	0	0	120.2
158	R	40.9	Very low	39.6	Very low	207 Å²	207	136.2 Å²	136.2	78%	0.781	74%	0.74	S	S	*	*			cis	-165.8	148.2	-9.5	-133.9	-178.8	175	174.9	0	112.1
159	N	42.9	Very low	39.7	Very low	136 Å²	136	138.8 Å²	138.8	73%	0.727	74%	0.742	S	S	*	*			trans	65.7	149.1	153	-67.7	-5	0	0	0	120
160	S	42.1	Very low	39.3	Very low	94 Å²	94	139.9 Å²	139.9	66%	0.657	75%	0.746	S	S	*	*			cis	-165.6	130.5	-9.9	44.4	0	0	0	0	114.8
161	T	40.4	Very low	39.3	Very low	115 Å²	115	140.9 Å²	140.9	71%	0.706	75%	0.751	S	S	*	*				64.8	127.6	128.6	-43.3	0	0	0	0	119.3
162	T	45.2	Very low	39.4	Very low	118 Å²	118	138.3 Å²	138.3	72%	0.724	76%	0.755	S	S	*	*				-169.9	114.8	87.9	-70.1	0	0	0	0	114.8
163	R	41.3	Very low	39.5	Very low	210 Å²	210	134.7 Å²	134.7	79%	0.792	75%	0.752	S	S	*	*			trans	56.2	125.2	138	-64	-171.4	175	178	-0.8	119.3
164	H	41	Very low	39.6	Very low	157 Å²	157	139.5 Å²	139.5	73%	0.727	77%	0.765	S	S	*	*			cis	112.9	149.6	48.5	-93.2	-27.6	0	0	0	109.6
165	M	40.8	Very low	39.6	Very low	136 Å²	136	136 Å²	136	67%	0.67	76%	0.761	S	S	*	*			cis	-137.7	165.9	-5.6	-60.9	-163.3	108.9	0	0	110.7	M167	M165-M167 HydrophobicContact CE-CE 4.08Å
166	S	33.4	Very low	39.5	Very low	115 Å²	115	136.2 Å²	136.2	80%	0.804	76%	0.764	S	S	*	*			trans	-137.9	150.6	148.3	-179	0	0	0	0	107.9
167	M	48.9	Very low	39.3	Very low	154 Å²	154	137.8 Å²	137.8	76%	0.759	76%	0.763	S	S	*	*			trans	-142.4	146.4	178.4	-83.2	-171.3	162.1	0	0	110.9	M165	M165-M167 HydrophobicContact CE-CE 4.08Å
168	N	35.5	Very low	38.9	Very low	147 Å²	147	138.7 Å²	138.7	79%	0.786	77%	0.766	S	S	*	*			trans	-138.3	150.3	179.7	-113.7	-9.3	0	0	0	110
169	N	37.5	Very low	38.7	Very low	146 Å²	146	135.6 Å²	135.6	78%	0.781	77%	0.771	S	S	*	*			trans	65.5	134.7	166.8	-57.6	-14.9	0	0	0	118.6
170	V	38.8	Very low	38.1	Very low	126 Å²	126	137 Å²	137	76%	0.764	77%	0.773	S	S	*	*				-169.9	129.7	108.6	142.6	0	0	0	0	111.1
171	L	38.5	Very low	37.7	Very low	162 Å²	162	144.4 Å²	144.4	85%	0.848	79%	0.786	S	S	*	*			trans	32.5	126.1	155.6	-57.2	170.8	0	0	0	121.4
172	A	38.7	Very low	37.2	Very low	94 Å²	94	146.2 Å²	146.2	78%	0.777	79%	0.787	S	S	*	*				160	136.5	91.9	0	0	0	0	0	116.3
173	A	36.5	Very low	36.7	Very low	81 Å²	81	149.9 Å²	149.9	67%	0.669	80%	0.796	S	S	*	*			trans	68.4	117.7	138.4	0	0	0	0	0	123.8
174	Q	37.2	Very low	36	Very low	180 Å²	180	145.8 Å²	145.8	84%	0.841	79%	0.79	S	S	*	*			trans	69.5	147.4	141.8	-59.6	-179.8	94.6	0	0	119.5
175	T	33.8	Very low	35.6	Very low	132 Å²	132	146.1 Å²	146.1	81%	0.81	80%	0.796	S	S	*	*			cis	-160.7	136.8	-23	20.4	0	0	0	0	107.5
176	G	36.7	Very low	35	Very low	77 Å²	77	147.9 Å²	147.9	79%	0.794	80%	0.802	S	S	*	*			trans	177.8	121.2	176	0	0	0	0	0	114.6
177	K	35.8	Very low	35	Very low	201 Å²	201	148.4 Å²	148.4	87%	0.874	80%	0.8	S	S	*	*			trans	-63.1	147.2	-172.3	-59.4	175.3	178.5	179.3	0	113.9
178	P	31.3	Very low	34.2	Very low	124 Å²	124	146.8 Å²	146.8	81%	0.805	80%	0.801	S	S	*	*			trans	-77.7	161.6	162.8	35.2	-34.8	0	0	0	111.6
179	V	37.2	Very low	33.9	Very low	143 Å²	143	148.5 Å²	148.5	87%	0.867	81%	0.809	S	S	*	*			trans	-134.6	131.1	165.6	175.1	0	0	0	0	108.2
180	E	30.2	Very low	33.7	Very low	165 Å²	165	144.8 Å²	144.8	77%	0.771	80%	0.804	S	S	*	*			trans	-78.1	146.4	-179.6	-61.8	164	106.8	0	0	112
181	R	33.4	Very low	33.2	Very low	249 Å²	249	144 Å²	144	94%	0.94	81%	0.805	S	S	*	*			trans	-139.9	98.7	143.6	-77.1	-160.2	171.7	-176.8	-3.1	110.1
182	Q	28.8	Very low	33	Very low	153 Å²	153	144.4 Å²	144.4	72%	0.715	81%	0.807	S	S	*	*			trans	-67	143.7	155.4	-63.1	170.6	-42.2	0	0	108.8
183	Q	34.9	Very low	32.5	Very low	196 Å²	196	148 Å²	148	92%	0.916	81%	0.807	S	S	*	*			trans	-136.6	100.2	143.1	-76	-164	-49.9	0	0	107.9
184	N	26.9	Very low	32.2	Very low	124 Å²	124	148.6 Å²	148.6	66%	0.663	81%	0.812	S	S	*	*			trans	-69.3	146	159.3	-70.8	-5.4	0	0	0	108.2
185	L	33.5	Very low	32.1	Very low	163 Å²	163	148.4 Å²	148.4	85%	0.853	82%	0.815	S	S	*	*			trans	-144.3	91	154.1	-109.5	167	0	0	0	107.9
186	E	27.1	Very low	32	Very low	173 Å²	173	151.7 Å²	151.7	81%	0.808	82%	0.819	S	S	*	*			trans	-75.1	131.2	168.7	-64.4	166.8	105.6	0	0	108.5
187	V	33.6	Very low	31.9	Very low	127 Å²	127	159.4 Å²	159.4	77%	0.77	82%	0.824	S	S	*	*			trans	-133.5	130.3	169.9	-176.8	0	0	0	0	107
188	P	31.5	Very low	31.8	Very low	119 Å²	119	161.4 Å²	161.4	77%	0.773	83%	0.826	S	S	*	*			trans	-86.4	164.1	-154.3	33.1	-37.9	0	0	0	115.3	G190	P188-G190 PolarHBondContact O-N 3.24Å
189	I	30	Very low	31.8	Very low	184 Å²	184	160.5 Å²	160.5	94%	0.944	82%	0.821	S	S	*	*			trans	-62.2	116	168.4	-61.1	166.2	0	0	0	109
190	G	32.7	Very low	31.4	Very low	67 Å²	67	159.6 Å²	159.6	69%	0.691	82%	0.821	S	S	*	*			trans	-147.2	118.6	-177.5	0	0	0	0	0	112.5	P188	P188-G190 PolarHBondContact O-N 3.24Å
191	S	29.4	Very low	31.7	Very low	110 Å²	110	158.2 Å²	158.2	77%	0.769	82%	0.818	S	S	*	*			trans	-35.9	136	-179.9	-171.5	0	0	0	0	117
192	L	34.2	Very low	31.5	Very low	171 Å²	171	156.3 Å²	156.3	90%	0.895	82%	0.817	S	S	*	*			trans	-152.8	95.1	148	-112	165.2	0	0	0	110.7
193	E	27.5	Very low	31.8	Very low	169 Å²	169	154.5 Å²	154.5	79%	0.79	82%	0.821	S	S	*	*			trans	-67.4	177	156.2	-70.1	-171.5	109.1	0	0	110.7
194	A	31	Very low	31.7	Very low	93 Å²	93	155.3 Å²	155.3	77%	0.769	82%	0.821	S	S	*	*			trans	71.3	64.1	165.9	0	0	0	0	0	118
195	I	35.1	Very low	32	Very low	177 Å²	177	155.4 Å²	155.4	91%	0.908	83%	0.826	S	S	*	*			trans	-116.6	82.2	139.4	-53.6	-177.6	0	0	0	108.8
196	F	31.5	Very low	32.3	Very low	201 Å²	201	153.2 Å²	153.2	88%	0.882	83%	0.825	S	S	*	*			trans	-141.8	140.5	169.5	-119.4	-75.1	0	0	0	108.8
197	R	35.3	Very low	32.8	Very low	239 Å²	239	151.5 Å²	151.5	90%	0.902	82%	0.821	S	S	*	*			trans	85.5	151.2	-179.2	-53.8	178.7	170.2	-161.5	-4.1	116.6
198	R	31.7	Very low	32.9	Very low	243 Å²	243	152.5 Å²	152.5	92%	0.917	82%	0.822	S	S	*	*			trans	68.7	138.6	-177	-73.3	-179.2	170.3	135.8	-3.8	114.4
199	C	31.2	Very low	33.6	Very low	104 Å²	104	155 Å²	155	70%	0.703	83%	0.829	S	S	*	*			cis	-118.1	140.8	2.5	-83.4	0	0	0	0	113.2	I201	C199-I201 HydrophobicContact CB-CG1 4.49Å
200	S	30.4	Very low	34.3	Very low	125 Å²	125	152.2 Å²	152.2	87%	0.874	82%	0.82	S	S	*	*			trans	-123.9	105.9	151.3	178.3	0	0	0	0	106.1
201	I	35.3	Very low	34.9	Very low	135 Å²	135	156.5 Å²	156.5	69%	0.692	83%	0.827	S	S	*	*			trans	-148.2	100.6	178	-50.1	177.3	0	0	0	108.4	C199	C199-I201 HydrophobicContact CB-CG1 4.49Å
202	F	30.1	Very low	35.5	Very low	210 Å²	210	158 Å²	158	92%	0.921	83%	0.827	S	S	*	*			trans	-154.5	79.3	153.5	-134.3	-79.4	0	0	0	111.4
203	S	34.9	Very low	36.3	Very low	114 Å²	114	155.2 Å²	155.2	80%	0.797	82%	0.817	S	S	*	*			trans	-160	111.8	162.2	-77.6	0	0	0	0	107.4
204	K	33.4	Very low	36.8	Very low	214 Å²	214	153.6 Å²	153.6	93%	0.93	81%	0.814	S	S	*	*			trans	-89.2	123.2	167.9	-88.5	-173.2	171.4	-174.5	0	108.2
205	T	33.1	Very low	37.6	Very low	125 Å²	125	156.5 Å²	156.5	77%	0.767	82%	0.816	S	S	*	*			trans	-127.7	119.4	157.5	47.3	0	0	0	0	106.4
206	S	38.8	Very low	38	Very low	118 Å²	118	156.8 Å²	156.8	83%	0.825	81%	0.814	S	S	*	*			trans	-112	110.7	176.6	49.4	0	0	0	0	107.7
207	D	37.1	Very low	38.7	Very low	137 Å²	137	156.5 Å²	156.5	73%	0.733	82%	0.815	S	S	*	*			trans	-123.6	161.3	173.9	-71.2	-61.2	0	0	0	109
208	N	36.7	Very low	39.1	Very low	148 Å²	148	152.5 Å²	152.5	79%	0.791	81%	0.811	S	S	*	*			trans	81.6	101.7	-166.9	-48.7	-33.6	0	0	0	114.1
209	D	45.4	Very low	40.1	Very low	170 Å²	170	147.5 Å²	147.5	91%	0.909	81%	0.808	S	S	*	*				-142	164	102.5	-88.6	-38.6	0	0	0	108.5
210	V	44.9	Very low	40.6	Very low	126 Å²	126	148.3 Å²	148.3	76%	0.764	81%	0.805	S	S	*	*			trans	-132.3	126.4	-172	175.1	0	0	0	0	109.9
211	D	45.8	Very low	41.2	Very low	157 Å²	157	151.4 Å²	151.4	84%	0.84	81%	0.805	S	S	*	*			trans	-177.2	111.3	155.5	-84.2	-32.1	0	0	0	104.7
212	D	42.2	Very low	41.6	Very low	143 Å²	143	154 Å²	154	77%	0.765	81%	0.812	S	S	*	*				93.4	152.5	64.3	-162.1	23	0	0	0	113.2
213	V	51.7	Low	42.2	Very low	111 Å²	111	149.5 Å²	149.5	67%	0.673	80%	0.803	S	S	*	*			trans	76.8	87.3	172.9	-162.9	0	0	0	0	119.5
214	N	37.3	Very low	42.4	Very low	136 Å²	136	152 Å²	152	73%	0.727	81%	0.806	S	S	*	*				57.3	158.5	122	-67.7	3.6	0	0	0	126.8
215	D	47.3	Very low	42.4	Very low	153 Å²	153	145.9 Å²	145.9	82%	0.818	79%	0.79	S	S	*	*			trans	95.8	153.9	150.7	-60.5	-31.7	0	0	0	120.8
216	E	43.6	Very low	42.7	Very low	183 Å²	183	147.5 Å²	147.5	86%	0.855	79%	0.793	S	S	*	*			trans	-102.5	156.7	-152	-52.5	179.7	124.4	0	0	114.3
217	E	46.6	Very low	42.7	Very low	195 Å²	195	147.1 Å²	147.1	91%	0.911	78%	0.78	S	S	*	*				-177.4	167.2	110	-100.7	-169.1	-179.6	0	0	112.8
218	D	43.2	Very low	42.7	Very low	155 Å²	155	145.9 Å²	145.9	83%	0.829	78%	0.778	S	S	*	*			trans	-71.2	161.1	-176.8	-86.1	-61	0	0	0	115
219	V	53.6	Low	42.8	Very low	139 Å²	139	147.9 Å²	147.9	84%	0.842	78%	0.78	S	S	*	*				-171.5	124.5	118.1	145.1	0	0	0	0	110.7
220	D	40.8	Very low	42.3	Very low	121 Å²	121	143 Å²	143	65%	0.647	77%	0.769	S	S	*	*			trans	-70.2	158.3	175.1	-160.5	-8.6	0	0	0	111.8
221	H	42.9	Very low	42.1	Very low	189 Å²	189	142.1 Å²	142.1	88%	0.875	77%	0.768	S	S	*	*			trans	-174.8	149	137.1	-101.9	50.6	0	0	0	112.5
222	K	44.4	Very low	41.9	Very low	190 Å²	190	145.9 Å²	145.9	83%	0.826	77%	0.771	S	S	*	*			trans	-106.8	169.9	-159.5	-103	-169.2	171.9	166.3	0	116.2
223	P	42.6	Very low	41.7	Very low	115 Å²	115	143.9 Å²	143.9	75%	0.747	77%	0.768	S	S	*	*			trans	-104.4	-175.7	-161.3	42.7	-40.2	0	0	0	114.7
224	I	38.9	Very low	41.2	Very low	168 Å²	168	143.6 Å²	143.6	86%	0.862	77%	0.766	S	S	*	*			trans	-143.6	157.3	162.4	-102.4	154.6	0	0	0	111.3
225	S	34	Very low	41.3	Very low	85 Å²	85	144.9 Å²	144.9	59%	0.594	77%	0.768	S	S	*	*			trans	-136.8	152.2	-171.3	57.9	0	0	0	0	114.2
226	I	38.8	Very low	40.9	Very low	158 Å²	158	141.9 Å²	141.9	81%	0.81	76%	0.759	S	S	*	*			trans	-144.6	131.6	156.3	-70.7	97.6	0	0	0	107
227	I	38.6	Very low	40.6	Very low	111 Å²	111	141 Å²	141	57%	0.569	76%	0.759	S	S	*	*			cis	110.1	85.4	6.4	-55.1	169.1	0	0	0	115.1
228	T	36.7	Very low	39.9	Very low	111 Å²	111	137 Å²	137	68%	0.681	75%	0.751	S	S	*	*			trans	80.2	170.6	146.7	72	0	0	0	0	118.9
229	K	38.9	Very low	39.6	Very low	190 Å²	190	136.6 Å²	136.6	83%	0.826	75%	0.754	S	S	*	*			cis	-165.3	152.1	26.6	-142.3	153	-146.3	157.3	0	115.5
230	G	35.8	Very low	38.7	Very low	67 Å²	67	134.3 Å²	134.3	69%	0.691	75%	0.75	S	S	*	*			trans	137	99.3	162.1	0	0	0	0	0	114.4
231	S	40.2	Very low	38.5	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	76%	0.761	S	S	*	*				73.7	126.9	61	-62.9	0	0	0	0	113.9
232	R	41.6	Very low	38.4	Very low	236 Å²	236	134.7 Å²	134.7	89%	0.891	75%	0.747	S	S	*	*			cis	-141.6	166.1	5.6	-83.3	138.3	-178.3	-161.6	-1.2	108.4
233	S	38.2	Very low	38.1	Very low	102 Å²	102	134.2 Å²	134.2	71%	0.713	75%	0.748	S	S	*	*				-164.6	144	55.6	-119.4	0	0	0	0	111.5
234	V	41	Very low	38.2	Very low	104 Å²	104	138.6 Å²	138.6	63%	0.63	76%	0.755	S	S	*	*				60.5	126.3	98.3	-178	0	0	0	0	115.5
235	E	38.9	Very low	38.3	Very low	163 Å²	163	138.5 Å²	138.5	76%	0.762	75%	0.751	S	S	*	*			cis	179.2	164.4	-22.1	-113.1	117.1	-116.9	0	0	106.6
236	S	39.2	Very low	38.7	Very low	90 Å²	90	142.7 Å²	142.7	63%	0.629	76%	0.762	S	S	*	*			cis	-175.5	149.5	-22	54.8	0	0	0	0	112.4
237	I	38.5	Very low	39	Very low	165 Å²	165	140.8 Å²	140.8	85%	0.846	76%	0.759	S	S	*	*			trans	74.5	149.4	151.9	-66.7	163.8	0	0	0	119.8
238	C	31.2	Very low	39.3	Very low	111 Å²	111	140.3 Å²	140.3	75%	0.75	77%	0.772	S	S	*	*			trans	-104.3	172.1	-176.4	-44.7	0	0	0	0	113.2
239	T	36.7	Very low	39.7	Very low	147 Å²	147	138.7 Å²	138.7	90%	0.902	78%	0.778	S	S	*	*				160.1	154.9	120.6	-61.9	0	0	0	0	112.2
240	A	35.2	Very low	40.1	Very low	90 Å²	90	135.3 Å²	135.3	74%	0.744	78%	0.778	S	S	*	*			trans	-84.1	159.9	-161	0	0	0	0	0	118.6
241	R	37.2	Very low	40.6	Very low	233 Å²	233	138 Å²	138	88%	0.879	78%	0.784	S	S	*	*			trans	-164.6	135.7	139.3	-101.2	162.8	177.1	175.1	-1.6	107.2
242	S	39.8	Very low	40.9	Very low	85 Å²	85	141.9 Å²	141.9	59%	0.594	79%	0.79	S	S	*	*				59.4	124.9	65.6	150.1	0	0	0	0	111.5
243	E	39.3	Very low	41.1	Very low	181 Å²	181	135.3 Å²	135.3	85%	0.846	78%	0.777	S	S	*	*			cis	-161.2	162.6	2.8	-102.9	144.6	-122.6	0	0	109.2
244	K	43.5	Very low	41.4	Very low	206 Å²	206	136 Å²	136	90%	0.896	78%	0.782	S	S	*	*				179.4	153.2	128.2	-161.2	148.4	-171.4	172.6	0	113.3
245	E	41.7	Very low	41.3	Very low	166 Å²	166	138.1 Å²	138.1	78%	0.776	79%	0.79	S	S	*	*			trans	-100.9	166.2	-173.1	-56.1	154.4	107.7	0	0	114.4
246	E	42.8	Very low	41.3	Very low	173 Å²	173	137.5 Å²	137.5	81%	0.808	79%	0.79	S	S	*	*				174.5	117.7	128.1	-100.1	-65.3	142.4	0	0	112.6
247	P	44.9	Very low	41.3	Very low	118 Å²	118	138.4 Å²	138.4	77%	0.766	79%	0.793	S	S	*	*			trans	-134.8	144.6	170.2	38.2	-23.2	0	0	0	115.4
248	A	44.8	Very low	41.3	Very low	102 Å²	102	135.8 Å²	135.8	84%	0.843	79%	0.789	S	S	*	*			trans	-150.7	134.7	174.9	0	0	0	0	0	116.3
249	G	45.3	Very low	41.6	Very low	77 Å²	77	135.5 Å²	135.5	79%	0.794	79%	0.788	S	S	*	*			trans	82.6	145.2	162.6	0	0	0	0	0	117.7
250	S	46.1	Very low	41.8	Very low	118 Å²	118	134.5 Å²	134.5	83%	0.825	79%	0.787	S	S	*	*			cis	-168.9	139.1	-13.3	49.8	0	0	0	0	110.6
251	P	47.9	Very low	42	Very low	125 Å²	125	134.1 Å²	134.1	81%	0.812	78%	0.784	S	S	*	*			trans	-110.4	164.4	-178.5	40.4	-33.8	0	0	0	115.1
252	E	45.1	Very low	42.1	Very low	187 Å²	187	129 Å²	129	87%	0.874	78%	0.778	S	S	*	*			trans	-177.3	161.6	142	-95.2	-98.2	94.6	0	0	111.8
253	P	45.7	Very low	42.1	Very low	98 Å²	98	135.7 Å²	135.7	64%	0.636	79%	0.791	S	S	*	*			trans	-130.9	173.3	-158.9	44.7	-32.4	0	0	0	118
254	S	44.3	Very low	42	Very low	117 Å²	117	134.5 Å²	134.5	82%	0.818	79%	0.789	S	S	*	*			trans	171	174.4	148.7	41.9	0	0	0	0	111.6
255	L	39.2	Very low	41.7	Very low	149 Å²	149	132.5 Å²	132.5	78%	0.78	79%	0.788	S	S	*	*				-171.7	150.4	-67.5	-109	175.5	0	0	0	108.8
256	L	39.9	Very low	41.3	Very low	149 Å²	149	128.5 Å²	128.5	78%	0.78	78%	0.784	S	S	*	*			trans	69.1	158.3	170.2	-45.2	-174.8	0	0	0	118.1
257	T	38	Very low	41	Very low	110 Å²	110	131.1 Å²	131.1	68%	0.675	79%	0.788	S	S	*	*			cis	-166.6	142.2	-26.6	29.2	0	0	0	0	111.3
258	S	38.5	Very low	40.5	Very low	110 Å²	110	130.5 Å²	130.5	77%	0.769	79%	0.787	S	S	*	*			trans	61.9	168.3	148.2	71.1	0	0	0	0	120.8
259	S	38.4	Very low	40.8	Very low	105 Å²	105	132 Å²	132	73%	0.734	79%	0.787	S	S	*	*			cis	-173.8	163.2	-37.6	-83.8	0	0	0	0	109.9
260	S	40.7	Very low	40.6	Very low	125 Å²	125	131.5 Å²	131.5	87%	0.874	78%	0.782	S	S	*	*			trans	70.5	156.1	162.4	-58.2	0	0	0	0	117.7
261	A	39.9	Very low	40.5	Very low	83 Å²	83	134.8 Å²	134.8	69%	0.686	79%	0.785	S	S	*	*			cis	-160.6	130.7	-15.5	0	0	0	0	0	108.8
262	T	38.5	Very low	40	Very low	124 Å²	124	134.3 Å²	134.3	76%	0.761	78%	0.78	S	S	*	*				86.2	144.6	90.2	-47.7	0	0	0	0	116.4
263	R	39.4	Very low	39.8	Very low	227 Å²	227	130 Å²	130	86%	0.857	77%	0.771	S	S	*	*			trans	90	121.5	176.6	-52.9	179.9	-174.4	-109.6	-2.1	114.6
264	L	37.2	Very low	39.6	Very low	155 Å²	155	131.1 Å²	131.1	81%	0.812	78%	0.776	S	S	*	*			cis	82	104.8	39.4	-64.8	170.8	0	0	0	115
265	N	38.1	Very low	39.5	Very low	164 Å²	164	131.7 Å²	131.7	88%	0.877	77%	0.774	S	S	*	*				-168.4	168.4	102.9	-110.1	3.1	0	0	0	112.2
266	A	32.7	Very low	39.6	Very low	82 Å²	82	129 Å²	129	68%	0.678	77%	0.773	S	S	*	*			trans	-122.9	161.4	178.5	0	0	0	0	0	111.3
267	Y	36.8	Very low	39.8	Very low	228 Å²	228	133.4 Å²	133.4	89%	0.894	78%	0.779	S	S	*	*			trans	-165.9	163.2	148.3	-108.7	-69.8	0	0	0	112
268	S	33.9	Very low	39.8	Very low	106 Å²	106	134.3 Å²	134.3	74%	0.741	79%	0.787	S	S	*	*			trans	-176.4	174.3	-176.2	-85	0	0	0	0	108.5
269	P	50.1	Low	40	Very low	132 Å²	132	132.9 Å²	132.9	86%	0.857	79%	0.789	S	S	*	*			cis	-130.4	-169.5	-28.1	37.2	-20.2	0	0	0	112
270	G	41.4	Very low	40	Very low	67 Å²	67	137.1 Å²	137.1	69%	0.691	80%	0.795	S	S	*	*			trans	157.8	119.5	151.9	0	0	0	0	0	118.7
271	Q	43.9	Very low	39.7	Very low	187 Å²	187	138 Å²	138	87%	0.874	79%	0.789	S	S	*	*			trans	52.6	145.3	140.3	-56.5	-170.1	25.3	0	0	120.1
272	T	39	Very low	39.7	Very low	115 Å²	115	141 Å²	141	71%	0.706	80%	0.799	S	S	*	*			cis	-157.6	163.7	4	-0.2	0	0	0	0	111.2
273	S	40.5	Very low	39.4	Very low	98 Å²	98	144.9 Å²	144.9	69%	0.685	81%	0.808	S	S	*	*			trans	5.6	154.5	155.5	62.1	0	0	0	0	122.5
274	T	41.4	Very low	39.3	Very low	121 Å²	121	137.6 Å²	137.6	74%	0.742	80%	0.804	S	S	*	*			cis	-170.4	153.3	38.6	-16.4	0	0	0	0	114.2
275	V	41.8	Very low	39.2	Very low	129 Å²	129	134.7 Å²	134.7	78%	0.782	80%	0.803	S	S	*	*			trans	70.5	114.2	145.6	168.6	0	0	0	0	123.2
276	A	40.6	Very low	38.9	Very low	92 Å²	92	136.5 Å²	136.5	76%	0.76	80%	0.802	S	S	*	*			trans	54.3	156	138.4	0	0	0	0	0	122.3
277	R	44	Very low	39	Very low	242 Å²	242	144 Å²	144	91%	0.913	81%	0.813	S	S	*	*			cis	-148.3	163.7	7.2	-137.1	172.7	173.8	-169.4	-1.7	108.9
278	P	38.6	Very low	38.7	Very low	129 Å²	129	139 Å²	139	84%	0.838	81%	0.811	S	S	*	*			trans	-104.5	166	-158.4	39.3	-34.2	0	0	0	117
279	G	42.4	Very low	38.6	Very low	79 Å²	79	138.4 Å²	138.4	81%	0.814	81%	0.807	S	S	*	*			trans	-151.7	112.2	174.4	0	0	0	0	0	115.9
280	K	38.8	Very low	37.9	Very low	194 Å²	194	143.8 Å²	143.8	84%	0.843	81%	0.811	S	S	*	*			trans	16.4	137.4	158.9	-89.7	-175.7	168.5	-176.6	0	124
281	L	35.1	Very low	37.5	Very low	144 Å²	144	145.8 Å²	145.8	75%	0.754	81%	0.811	S	S	*	*			trans	71.1	115.3	138.7	-67.3	167.7	0	0	0	121.1
282	T	40.2	Very low	36.9	Very low	147 Å²	147	143.7 Å²	143.7	90%	0.902	81%	0.806	S	S	*	*				-172.4	167.6	107.4	20.5	0	0	0	0	111.4
283	E	32.5	Very low	36.8	Very low	204 Å²	204	141.2 Å²	141.2	95%	0.953	80%	0.797	S	S	*	*			trans	-84.4	148.2	-177.3	-60.5	172.4	106	0	0	112.3
284	G	36.3	Very low	36.6	Very low	74 Å²	74	143 Å²	143	76%	0.763	80%	0.8	S	S	*	*			trans	-167.1	13.9	-169.6	0	0	0	0	0	122.3
285	A	34.9	Very low	36.3	Very low	95 Å²	95	143.7 Å²	143.7	79%	0.785	80%	0.799	S	S	*	*			trans	61.5	170.6	164.5	0	0	0	0	0	120.6
286	K	32.2	Very low	36.2	Very low	201 Å²	201	145 Å²	145	87%	0.874	80%	0.799	S	S	*	*			trans	57	84.3	161.6	-60.5	174.6	-176.6	173	0	119.7
287	R	35.5	Very low	36.2	Very low	241 Å²	241	146.4 Å²	146.4	91%	0.909	80%	0.798	S	S	*	*				179	127.8	109.7	-102.1	-177.8	172.5	-149.5	-1.9	112.5	S289	R287-S289 PolarHBondContact O-N 3.42Å
288	S	29.8	Very low	35.9	Very low	122 Å²	122	139.3 Å²	139.3	85%	0.853	78%	0.784	S	S	*	*			trans	-92.5	92	168.7	53.8	0	0	0	0	110.5
289	S	31.7	Very low	35.5	Very low	93 Å²	93	138.5 Å²	138.5	65%	0.65	78%	0.778	S	S	*	*			trans	-125.1	106.5	165.2	55.4	0	0	0	0	108.8	R287	R287-S289 PolarHBondContact O-N 3.42Å
290	W	35.1	Very low	35.3	Very low	245 Å²	245	139.9 Å²	139.9	93%	0.928	77%	0.767	S	S	*	*			trans	-64.3	124.5	168.4	-69.4	79.1	0	0	0	107.8
291	P	33.9	Very low	34.8	Very low	109 Å²	109	139.2 Å²	139.2	71%	0.708	77%	0.767	S	S	*	*			trans	-63.9	148.5	174.4	28	-33.7	0	0	0	109.4	A293	P291-A293 VanDerWaalsContact C-N 3.31Å; P291-A293 PolarHBondContact O-N 2.98Å
292	N	31	Very low	34.5	Very low	143 Å²	143	140.4 Å²	140.4	77%	0.765	76%	0.761	S	S	*	*			trans	-68.9	88.4	180	-174.2	39.6	0	0	0	110.3	N294	N292-N294 VanDerWaalsContact C-N 3.34Å; N292-N294 PolarHBondContact ND2-OD1 3.26Å; N292-N294 PolarHBondContact O-N 3.05Å
293	A	37.2	Very low	33.9	Very low	63 Å²	63	144.4 Å²	144.4	52%	0.521	76%	0.76	S	S	.	*			trans	-75.7	86.4	-178.4	0	0	0	0	0	110.1	P291 N295	P291-A293 VanDerWaalsContact C-N 3.31Å; P291-A293 PolarHBondContact O-N 2.98Å; A293-N295 PolarHBondContact O-N 3.04Å
294	N	35.2	Very low	33.8	Very low	137 Å²	137	140 Å²	140	73%	0.733	75%	0.748	S	S	*	*			trans	-63.7	69.1	154.8	-72.7	1	0	0	0	108.3	N292 I296	N292-N294 VanDerWaalsContact C-N 3.34Å; N292-N294 PolarHBondContact ND2-OD1 3.26Å; N292-N294 PolarHBondContact O-N 3.05Å; N294-I296 PolarHBondContact O-N 2.84Å
295	N	36.2	Very low	33.9	Very low	135 Å²	135	139.6 Å²	139.6	72%	0.722	73%	0.734	S	S	*	*			trans	-68.5	98.1	176.7	-85.1	-13.7	0	0	0	107.5	A293 V297	A293-N295 PolarHBondContact O-N 3.04Å; N295-V297 PolarHBondContact O-N 3.15Å
296	I	38.2	Very low	34.5	Very low	155 Å²	155	136.9 Å²	136.9	80%	0.795	71%	0.712	S	S	*	*			trans	-48.5	106	165.8	-62.7	165.2	0	0	0	106.7	N294 P298	N294-I296 PolarHBondContact O-N 2.84Å; I296-P298 VanDerWaalsContact O-CD 3.3Å; I296-P298 WeakPolarHBondContact O-CD 3.33Å
297	V	41.1	Very low	35.5	Very low	122 Å²	122	130 Å²	130	74%	0.739	69%	0.688	S	S	*	*			trans	-65	115.8	167.4	176.9	0	0	0	0	104.8	N295	N295-V297 PolarHBondContact O-N 3.15Å
298	P	37.6	Very low	37.1	Very low	94 Å²	94	119.1 Å²	119.1	61%	0.61	65%	0.648	S	S	*	*			trans	-60.7	132.7	173.8	26.9	-32.8	0	0	0	107	I296 L300	I296-P298 VanDerWaalsContact O-CD 3.3Å; I296-P298 WeakPolarHBondContact O-CD 3.33Å; P298-L300 PolarHBondContact O-N 3.1Å
299	P	30.8	Very low	39.5	Very low	111 Å²	111	113.9 Å²	113.9	72%	0.721	61%	0.61	S	S	*	*			trans	-56.1	108.6	175.6	-24.5	34.1	0	0	0	108.6	E301	P299-E301 HydrophobicContact CB-CB 4.46Å; P299-E301 PolarHBondContact O-N 3.47Å
300	L	37.7	Very low	42.2	Very low	109 Å²	109	109.5 Å²	109.5	57%	0.571	58%	0.58	S	S	*	*			trans	-80.5	58.4	175.5	-162.8	74.8	0	0	0	108.3	P298 R302	P298-L300 PolarHBondContact O-N 3.1Å; L300-R302 PolarHBondContact O-N 3.25Å
301	E	28.9	Very low	44.9	Very low	180 Å²	180	100 Å²	100	84%	0.841	55%	0.547	S	S	*	.			trans	-78.4	60.1	-174.8	-165.1	162.4	-161	0	0	110.4	P299	P299-E301 HydrophobicContact CB-CB 4.46Å; P299-E301 PolarHBondContact O-N 3.47Å
302	R	28.8	Very low	47.8	Very low	168 Å²	168	94.8 Å²	94.8	63%	0.634	51%	0.514	S	S	*	.			trans	-109.4	111.6	163.1	-79	-172.3	-86.8	150.6	-4.8	106.8	L300	L300-R302 PolarHBondContact O-N 3.25Å
303	R	27.2	Very low	50.8	Low	232 Å²	232	89.9 Å²	89.9	88%	0.875	49%	0.486	S	S	*	.			trans	-47.9	143	171.5	-64.7	177.5	-179.7	166.3	-1	109.5	S305	R303-S305 PolarHBondContact O-N 2.84Å
304	P	30.2	Very low	53.7	Low	111 Å²	111	87.1 Å²	87.1	72%	0.721	46%	0.462	S	S	*	.			trans	-65.4	92.9	-178	26.7	-34.7	0	0	0	110.8	A306	P304-A306 PolarHBondContact O-N 2.53Å
305	S	38.6	Very low	56.5	Low	65 Å²	65	80.9 Å²	80.9	46%	0.455	43%	0.429	S	S	.	.			trans	-75.8	87.3	-179.9	53.6	0	0	0	0	110.1	R303 C307	R303-S305 PolarHBondContact O-N 2.84Å; S305-C307 PolarHBondContact O-N 2.99Å
306	A	48.4	Very low	59.3	Low	39 Å²	39	74.4 Å²	74.4	32%	0.322	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	5.7	175	0	0	0	0	0	114.8	P304 S436	P304-A306 PolarHBondContact O-N 2.53Å; A306-S436 WeakPolarHBondContact O-CB 3.46Å
307	C	53.4	Low	62	Low	57 Å²	57	68.4 Å²	68.4	39%	0.385	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.8	-168.8	-56.5	0	0	0	0	114.7	S305 L309 G310 L311	S305-C307 PolarHBondContact O-N 2.99Å; C307-L309 PolarHBondContact O-N 2.98Å; C307-L309 VanDerWaalsContact O-N 3.16Å; C307-G310 WeakPolarHBondContact O-CA 3.28Å; C307-G310 PolarHBondContact O-N 3.47Å; C307-L311 HydrophobicContact CB-CD2 4.46Å
308	D	68.1	Low	64.5	Low	11 Å²	11	62.7 Å²	62.7	6%	0.059	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.8	-173.2	-64.1	-57.5	0	0	0	114.7	A336 N338 L339 R541 T542	D308-A336 WeakPolarHBondContact O-CA 3.36Å; D308-N338 HydrophobicContact CB-CB 4.31Å; D308-N338 WeakPolarHBondContact OD1-CB 3.4Å; D308-N338 PolarHBondContact OD1-ND2 2.88Å; D308-L339 HydrophobicContact CB-CD1 4.41Å; D308-R541 WeakPolarHBondContact CB-O 3.41Å; D308-R541 VanDerWaalsContact OD2-C 3.31Å; D308-T542 VanDerWaalsContact OD2-CA 3.29Å; D308-T542 WeakPolarHBondContact OD2-CA 3.29Å; D308-T542 PolarHBondContact OD2-N 3.4Å
309	L	81.3	Confident	67	Low	12 Å²	12	60.3 Å²	60.3	6%	0.063	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.5	171.2	-68.7	174.3	0	0	0	113.6	C307 L335 A336 L339 V412 L437 P439	C307-L309 PolarHBondContact O-N 2.98Å; C307-L309 VanDerWaalsContact O-N 3.16Å; L309-L335 WeakPolarHBondContact O-CD2 3.35Å; L309-A336 PolarHBondContact O-N 3.4Å; L309-L339 HydrophobicContact CD2-CD1 3.53Å; L309-L339 HydrophobicContact CG-CD1 4.23Å; L309-V412 WeakPolarHBondContact CD1-O 3.43Å; L309-V412 WeakPolarHBondContact CD2-O 3.24Å; L309-L437 HydrophobicContact CB-CB 3.76Å; L309-L437 WeakPolarHBondContact CB-O 3.42Å; L309-L437 WeakPolarHBondContact CD1-O 3.39Å; L309-L437 WeakPolarHBondContact O-CD1 3.34Å; L309-P439 HydrophobicContact CD1-CB 4.3Å; L309-P439 HydrophobicContact CD1-CG 3.81Å
310	G	87.1	Confident	69.8	Low	2 Å²	2	57.1 Å²	57.1	2%	0.021	29%	0.288	C	S	.	.			trans	98.5	176.1	-176.4	0	0	0	0	0	114.6	C307 E333 L437	C307-G310 WeakPolarHBondContact O-CA 3.28Å; C307-G310 PolarHBondContact O-N 3.47Å; G310-E333 CarbonylContact C-O 3.48Å; G310-E333 WeakPolarHBondContact CA-O 3.34Å; G310-L437 PolarHBondContact O-N 2.73Å
311	L	91.7	Very high	72.3	Confident	45 Å²	45	58.6 Å²	58.6	24%	0.236	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	144.7	177.8	-58.1	179.6	0	0	0	111	C307 A332 E333 V434 S436	C307-L311 HydrophobicContact CB-CD2 4.46Å; L311-A332 CarbonylContact O-C 3.56Å; L311-A332 WeakPolarHBondContact O-CA 3.23Å; L311-A332 WeakPolarHBondContact O-CB 3.3Å; L311-E333 HydrophobicContact CB-CG 3.95Å; L311-E333 PolarHBondContact N-O 3.04Å; L311-E333 PolarHBondContact O-N 3.31Å; L311-V434 HydrophobicContact CB-CG1 4.2Å; L311-V434 HydrophobicContact CD1-CG1 4.12Å; L311-S436 WeakPolarHBondContact CD2-OG 3.24Å
312	L	94.4	Very high	75.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.4	173.5	-179.1	69.8	0	0	0	110.2	F314 I329 A332 L349 I396 V415 V434 R435 L437	L312-F314 HydrophobicContact CD2-CD1 4.03Å; L312-F314 HydrophobicContact CG-CD1 4.06Å; L312-I329 HydrophobicContact CD1-CG2 3.92Å; L312-A332 HydrophobicContact CD1-CB 3.84Å; L312-L349 HydrophobicContact CD1-CD2 4.48Å; L312-I396 HydrophobicContact CD2-CB 3.95Å; L312-I396 HydrophobicContact CD2-CD1 3.86Å; L312-I396 HydrophobicContact CD2-CG2 3.64Å; L312-V415 HydrophobicContact CB-CG2 4.21Å; L312-V415 HydrophobicContact CD2-CB 4.08Å; L312-V415 HydrophobicContact CD2-CG2 3.82Å; L312-V434 WeakPolarHBondContact O-CA 3.36Å; L312-R435 PolarHBondContact N-O 2.9Å; L312-R435 PolarHBondContact O-N 3.27Å; L312-L437 HydrophobicContact CB-CG 4.44Å
313	H	95.8	Very high	78.2	Confident	40 Å²	40	54.6 Å²	54.6	19%	0.185	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	113.6	175.5	-68.4	-121.2	0	0	0	109.7	A330 K331 E333 F433	H313-A330 PolarHBondContact O-N 3.37Å; H313-K331 HydrophobicContact CB-CG 3.72Å; H313-K331 WeakPolarHBondContact CB-O 3.49Å; H313-K331 VanDerWaalsContact CE1-CE 3.45Å; H313-K331 WeakPolarHBondContact CE1-CE 3.06Å; H313-K331 PolarHBondContact N-O 3.4Å; H313-K331 WeakPolarHBondContact ND1-CE 3.41Å; H313-K331 PolarHBondContact O-N 2.92Å; H313-E333 IonicContact CD2-OE1 3.38Å; H313-E333 IonicContact CE1-OE1 2.68Å; H313-E333 IonicContact NE2-OE1 3.58Å; H313-E333 PolarHBondContact NE2-OE1 3.46Å; H313-E333 IonicContact NE2-OE2 2.73Å; H313-F433 WeakPolarHBondContact CA-O 3.45Å
314	F	96.2	Very high	81.4	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	165.3	-179.9	69.9	-78.3	0	0	0	110.7	L312 V316 S328 I329 I396 V415 L417 F433 R435	L312-F314 HydrophobicContact CD2-CD1 4.03Å; L312-F314 HydrophobicContact CG-CD1 4.06Å; F314-V316 HydrophobicContact CD2-CG2 4.05Å; F314-V316 HydrophobicContact CE2-CG2 3.96Å; F314-S328 CarbonylContact C-O 3.38Å; F314-S328 VanDerWaalsContact CA-O 3.22Å; F314-S328 WeakPolarHBondContact CA-O 3.45Å; F314-S328 WeakPolarHBondContact CB-O 2.77Å; F314-I329 HydrophobicContact CB-CB 4.48Å; F314-I329 HydrophobicContact CB-CG1 3.99Å; F314-I396 HydrophobicContact CB-CD1 4.09Å; F314-I396 HydrophobicContact CD1-CD1 4.05Å; F314-I396 HydrophobicContact CD2-CD1 3.63Å; F314-I396 HydrophobicContact CE1-CD1 4.38Å; F314-I396 HydrophobicContact CE2-CD1 4Å; F314-I396 HydrophobicContact CG-CD1 3.65Å; F314-I396 HydrophobicContact CZ-CD1 4.36Å; F314-V415 HydrophobicContact CE1-CG1 3.93Å; F314-V415 HydrophobicContact CZ-CG1 4.1Å; F314-L417 HydrophobicContact CE2-CB 4.47Å; F314-L417 HydrophobicContact CE2-CD2 3.75Å; F314-L417 HydrophobicContact CZ-CB 4.34Å; F314-L417 HydrophobicContact CZ-CD2 4.09Å; F314-F433 HydrophobicContact CD1-CB 4.11Å; F314-F433 HydrophobicContact CD2-CB 4.45Å; F314-F433 HydrophobicContact CD2-CD2 4.27Å; F314-F433 HydrophobicContact CE1-CB 3.66Å; F314-F433 HydrophobicContact CE2-CB 4.05Å; F314-F433 AromaticContact CE2-CD2 3.81Å; F314-F433 HydrophobicContact CE2-CD2 3.81Å; F314-F433 HydrophobicContact CE2-CG 4.19Å; F314-F433 HydrophobicContact CG-CB 4.48Å; F314-F433 HydrophobicContact CZ-CB 3.64Å; F314-F433 HydrophobicContact CZ-CD2 4.16Å; F314-F433 HydrophobicContact CZ-CG 4.05Å; F314-F433 PolarHBondContact N-O 2.99Å; F314-F433 PolarHBondContact O-N 3.37Å; F314-F433 VanDerWaalsContact O-O 3.09Å; F314-R435 HydrophobicContact CE1-CB 4.25Å; F314-R435 HydrophobicContact CE1-CG 4.05Å; F314-R435 HydrophobicContact CZ-CG 4.43Å
315	S	95.1	Very high	84.4	Confident	6 Å²	6	41.3 Å²	41.3	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	157	174.9	44.3	0	0	0	0	111.2	V327 S328 E430 I431	S315-V327 CarbonylContact O-C 3.56Å; S315-V327 WeakPolarHBondContact O-CA 3.5Å; S315-S328 PolarHBondContact N-O 3.48Å; S315-S328 PolarHBondContact O-N 3.18Å; S315-S328 WeakPolarHBondContact OG-CB 3.35Å; S315-E430 WeakPolarHBondContact CB-OE1 3.29Å; S315-E430 PolarHBondContact OG-OE1 2.87Å; S315-I431 CarbonylContact C-O 3.52Å; S315-I431 WeakPolarHBondContact CA-O 3.4Å; S315-I431 VanDerWaalsContact CB-O 3.24Å; S315-I431 WeakPolarHBondContact CB-O 3.49Å
316	V	94.9	Very high	87.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.1	179.2	-168.7	0	0	0	0	109.8	F314 L325 R326 V327 L417 L419 L425 I431 F433	F314-V316 HydrophobicContact CD2-CG2 4.05Å; F314-V316 HydrophobicContact CE2-CG2 3.96Å; V316-L325 HydrophobicContact CG1-CD1 3.53Å; V316-L325 HydrophobicContact CG1-CD2 4.44Å; V316-L325 HydrophobicContact CG1-CG 4.06Å; V316-R326 WeakPolarHBondContact CA-O 3.43Å; V316-V327 HydrophobicContact CG1-CG2 4.23Å; V316-V327 HydrophobicContact CG2-CG2 4.35Å; V316-L417 HydrophobicContact CG2-CD2 3.91Å; V316-L419 HydrophobicContact CG1-CD2 4.36Å; V316-L425 HydrophobicContact CB-CD1 4.23Å; V316-L425 HydrophobicContact CG1-CD1 3.87Å; V316-I431 PolarHBondContact N-O 3.48Å; V316-I431 PolarHBondContact O-N 2.99Å; V316-F433 HydrophobicContact CB-CE2 4.19Å; V316-F433 HydrophobicContact CG2-CD2 4.19Å; V316-F433 HydrophobicContact CG2-CE2 3.97Å
317	Q	94.1	Very high	89.4	Confident	29 Å²	29	38 Å²	38	14%	0.136	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	123.7	179.2	-177.4	-180	39.7	0	0	109.5	F319 R326 K428 E430	Q317-F319 HydrophobicContact CB-CE2 4.49Å; Q317-F319 HydrophobicContact CG-CE1 4.44Å; Q317-F319 HydrophobicContact CG-CE2 3.89Å; Q317-F319 HydrophobicContact CG-CZ 3.84Å; Q317-R326 HydrophobicContact CB-CB 4.37Å; Q317-R326 PolarHBondContact N-O 2.86Å; Q317-R326 PolarHBondContact O-N 2.73Å; Q317-K428 WeakPolarHBondContact CG-O 3.32Å; Q317-K428 PolarHBondContact NE2-O 3.21Å; Q317-E430 HydrophobicContact CB-CB 4.23Å; Q317-E430 HydrophobicContact CB-CG 4.47Å; Q317-E430 HydrophobicContact CG-CB 4.49Å
318	Y	93.8	Very high	91.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.6	177.9	178.2	-128.7	0	0	0	111.4	P320 R324 L325 I384 D385 T386 I389 L425	Y318-P320 HydrophobicContact CD1-CG 3.78Å; Y318-P320 HydrophobicContact CE1-CB 3.99Å; Y318-P320 HydrophobicContact CE1-CG 3.61Å; Y318-R324 WeakPolarHBondContact CD2-O 3.43Å; Y318-L325 HydrophobicContact CD2-CB 4.43Å; Y318-L325 HydrophobicContact CD2-CD1 4.23Å; Y318-L325 HydrophobicContact CG-CD1 4.38Å; Y318-I384 HydrophobicContact CE2-CB 4.31Å; Y318-I384 HydrophobicContact CE2-CG2 4.06Å; Y318-I384 WeakPolarHBondContact CE2-O 3.29Å; Y318-I384 PolarHBondContact OH-O 2.95Å; Y318-I384 VanDerWaalsContact OH-O 3.11Å; Y318-D385 VanDerWaalsContact OH-C 3.3Å; Y318-T386 PolarHBondContact OH-N 2.88Å; Y318-I389 HydrophobicContact CD1-CD1 4.22Å; Y318-I389 HydrophobicContact CD1-CG1 3.96Å; Y318-I389 HydrophobicContact CD2-CD1 3.97Å; Y318-I389 HydrophobicContact CD2-CG1 4.45Å; Y318-I389 HydrophobicContact CE1-CD1 4.27Å; Y318-I389 HydrophobicContact CE1-CG1 3.7Å; Y318-I389 HydrophobicContact CE2-CD1 4.06Å; Y318-I389 HydrophobicContact CE2-CG1 4.25Å; Y318-I389 HydrophobicContact CG-CD1 4.08Å; Y318-I389 HydrophobicContact CG-CG1 4.33Å; Y318-L425 WeakPolarHBondContact CB-O 3.27Å; Y318-L425 HydrophobicContact CG-CD2 4.34Å
319	F	91.3	Very high	92.7	Very high	43 Å²	43	35.5 Å²	35.5	19%	0.189	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	86	178.9	-61.6	-85.9	0	0	0	108.9	Q317 V321 R322 K323 R324 R326	Q317-F319 HydrophobicContact CB-CE2 4.49Å; Q317-F319 HydrophobicContact CG-CE1 4.44Å; Q317-F319 HydrophobicContact CG-CE2 3.89Å; Q317-F319 HydrophobicContact CG-CZ 3.84Å; F319-V321 VanDerWaalsContact C-N 3.32Å; F319-V321 PolarHBondContact O-N 3.1Å; F319-R322 HydrophobicContact CB-CB 4.12Å; F319-R322 CarbonylContact O-C 3.56Å; F319-R322 PolarHBondContact O-N 3.35Å; F319-K323 PolarHBondContact O-N 2.78Å; F319-K323 VanDerWaalsContact O-N 3.14Å; F319-R324 WeakPolarHBondContact CB-O 3.08Å; F319-R324 PolarHBondContact N-O 2.82Å; F319-R324 PolarHBondContact O-N 2.83Å; F319-R326 HydrophobicContact CE2-CB 4.03Å
320	P	88.9	Confident	93.3	Very high	44 Å²	44	36.9 Å²	36.9	29%	0.286	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-52.9	-46.8	-175.9	-24.3	29.2	0	0	0	113	Y318 R322 K323	Y318-P320 HydrophobicContact CD1-CG 3.78Å; Y318-P320 HydrophobicContact CE1-CB 3.99Å; Y318-P320 HydrophobicContact CE1-CG 3.61Å; P320-R322 PolarHBondContact O-N 2.91Å; P320-R322 VanDerWaalsContact O-N 3.07Å; P320-K323 PolarHBondContact O-N 3.02Å
321	V	89.9	Confident	93.6	Very high	140 Å²	140	40.3 Å²	40.3	85%	0.848	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-59.3	-23.5	179.7	-175.3	0	0	0	0	113.2	F319	F319-V321 VanDerWaalsContact C-N 3.32Å; F319-V321 PolarHBondContact O-N 3.1Å
322	R	90.5	Very high	93.6	Very high	173 Å²	173	38.1 Å²	38.1	65%	0.653	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-106.2	3.6	178.5	-66.7	-177.6	174.7	170	-1.5	113	F319 P320 R324	F319-R322 HydrophobicContact CB-CB 4.12Å; F319-R322 CarbonylContact O-C 3.56Å; F319-R322 PolarHBondContact O-N 3.35Å; P320-R322 PolarHBondContact O-N 2.91Å; P320-R322 VanDerWaalsContact O-N 3.07Å; R322-R324 HydrophobicContact CB-CB 4.02Å; R322-R324 WeakPolarHBondContact O-CB 3.4Å; R322-R324 PolarHBondContact O-N 2.74Å; R322-R324 VanDerWaalsContact O-N 3.16Å
323	K	92.3	Very high	93.4	Very high	92 Å²	92	40.6 Å²	40.6	40%	0.4	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.5	43.6	-169.6	-59.1	-170.3	177	-138.4	0	112.3	F319 P320 V382 N383 I384 D385	F319-K323 PolarHBondContact O-N 2.78Å; F319-K323 VanDerWaalsContact O-N 3.14Å; P320-K323 PolarHBondContact O-N 3.02Å; K323-V382 CarbonylContact O-C 3.48Å; K323-N383 PolarHBondContact O-N 3.13Å; K323-I384 CarbonylContact C-O 3.54Å; K323-I384 VanDerWaalsContact C-O 3.28Å; K323-I384 WeakPolarHBondContact CA-O 3.23Å; K323-I384 WeakPolarHBondContact CB-O 3.33Å; K323-I384 PolarHBondContact O-N 3.02Å; K323-D385 VanDerWaalsContact CD-OD1 3.28Å; K323-D385 WeakPolarHBondContact CD-OD1 3.26Å; K323-D385 WeakPolarHBondContact CE-OD1 3.5Å; K323-D385 IonicContact NZ-OD1 3.51Å; K323-D385 PolarHBondContact NZ-OD1 2.85Å; K323-D385 IonicContact NZ-OD2 3.48Å; K323-D385 PolarHBondContact NZ-OD2 2.98Å
324	R	93.4	Very high	92.9	Very high	64 Å²	64	40.3 Å²	40.3	24%	0.242	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.7	-166.5	-165.2	-179.2	73.8	159.3	6.4	112.6	Y318 F319 R322 F380 F381 V382	Y318-R324 WeakPolarHBondContact CD2-O 3.43Å; F319-R324 WeakPolarHBondContact CB-O 3.08Å; F319-R324 PolarHBondContact N-O 2.82Å; F319-R324 PolarHBondContact O-N 2.83Å; R322-R324 HydrophobicContact CB-CB 4.02Å; R322-R324 WeakPolarHBondContact O-CB 3.4Å; R322-R324 PolarHBondContact O-N 2.74Å; R322-R324 VanDerWaalsContact O-N 3.16Å; R324-F380 HydrophobicContact CG-CD1 4.42Å; R324-F381 CarbonylContact C-O 3.44Å; R324-F381 VanDerWaalsContact CA-O 3.27Å; R324-F381 WeakPolarHBondContact CA-O 3.48Å; R324-F381 VanDerWaalsContact CG-O 3.29Å; R324-F381 WeakPolarHBondContact CG-O 3.4Å; R324-V382 HydrophobicContact CG-CG1 4.39Å
325	L	93.8	Very high	92.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130	172.5	-172.6	73.5	0	0	0	109.3	V316 Y318 V327 L353 F380 F381 I384 I389 V394 L419 L425	V316-L325 HydrophobicContact CG1-CD1 3.53Å; V316-L325 HydrophobicContact CG1-CD2 4.44Å; V316-L325 HydrophobicContact CG1-CG 4.06Å; Y318-L325 HydrophobicContact CD2-CB 4.43Å; Y318-L325 HydrophobicContact CD2-CD1 4.23Å; Y318-L325 HydrophobicContact CG-CD1 4.38Å; L325-V327 HydrophobicContact CD2-CG2 4.34Å; L325-V327 HydrophobicContact CG-CG2 4.4Å; L325-L353 HydrophobicContact CD2-CD2 4.23Å; L325-F380 WeakPolarHBondContact O-CA 3.2Å; L325-F381 HydrophobicContact CB-CB 4.2Å; L325-F381 HydrophobicContact CB-CD2 4.49Å; L325-F381 HydrophobicContact CD2-CD2 4.26Å; L325-F381 PolarHBondContact N-O 3.34Å; L325-F381 PolarHBondContact O-N 3.27Å; L325-I384 HydrophobicContact CB-CG1 4.32Å; L325-I389 HydrophobicContact CD1-CD1 4.43Å; L325-V394 HydrophobicContact CD2-CG2 3.75Å; L325-L419 HydrophobicContact CD1-CD2 4.5Å; L325-L419 HydrophobicContact CD2-CD1 3.78Å; L325-L419 HydrophobicContact CD2-CD2 4.05Å; L325-L425 HydrophobicContact CD1-CD2 3.94Å
326	R	94.8	Very high	91.6	Very high	35 Å²	35	39.9 Å²	39.9	13%	0.132	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.9	171.5	174.2	177.5	172.2	-109	-10.1	108	V316 Q317 F319 S328 E378 F379 F380 E430	V316-R326 WeakPolarHBondContact CA-O 3.43Å; Q317-R326 HydrophobicContact CB-CB 4.37Å; Q317-R326 PolarHBondContact N-O 2.86Å; Q317-R326 PolarHBondContact O-N 2.73Å; F319-R326 HydrophobicContact CE2-CB 4.03Å; R326-S328 PolarHBondContact NH2-OG 3.28Å; R326-E378 IonicContact CZ-OE1 2.7Å; R326-E378 IonicContact CZ-OE2 3.37Å; R326-E378 VanDerWaalsContact NE-CD 3.27Å; R326-E378 IonicContact NE-OE1 2.76Å; R326-E378 PolarHBondContact NE-OE1 3.01Å; R326-E378 IonicContact NE-OE2 2.63Å; R326-E378 PolarHBondContact NE-OE2 2.76Å; R326-E378 VanDerWaalsContact NH2-CD 3.33Å; R326-E378 IonicContact NH2-OE1 3.6Å; R326-E378 PolarHBondContact NH2-OE1 3.24Å; R326-E378 IonicContact NH2-OE2 3.5Å; R326-F379 WeakPolarHBondContact CA-O 3.31Å; R326-F380 HydrophobicContact CB-CD1 4.05Å; R326-F380 HydrophobicContact CB-CE1 3.83Å; R326-F380 HydrophobicContact CG-CD1 4.31Å; R326-F380 HydrophobicContact CG-CE1 3.72Å; R326-F380 HydrophobicContact CG-CZ 4.17Å; R326-E430 IonicContact CZ-OE1 3.34Å; R326-E430 IonicContact CZ-OE2 2.78Å; R326-E430 IonicContact NH1-OE1 3.07Å; R326-E430 PolarHBondContact NH1-OE1 2.95Å; R326-E430 IonicContact NH1-OE2 2.86Å; R326-E430 PolarHBondContact NH1-OE2 2.84Å; R326-E430 IonicContact NH2-OE1 3.49Å; R326-E430 IonicContact NH2-OE2 2.71Å; R326-E430 PolarHBondContact NH2-OE2 2.99Å
327	V	95.9	Very high	90.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	107.1	173.5	179	0	0	0	0	107.4	S315 V316 L325 I329 F379 F381 V394 I396	S315-V327 CarbonylContact O-C 3.56Å; S315-V327 WeakPolarHBondContact O-CA 3.5Å; V316-V327 HydrophobicContact CG1-CG2 4.23Å; V316-V327 HydrophobicContact CG2-CG2 4.35Å; L325-V327 HydrophobicContact CD2-CG2 4.34Å; L325-V327 HydrophobicContact CG-CG2 4.4Å; V327-I329 HydrophobicContact CG1-CG1 4.34Å; V327-F379 HydrophobicContact CB-CB 4.47Å; V327-F379 PolarHBondContact N-O 2.79Å; V327-F379 PolarHBondContact O-N 2.92Å; V327-F381 HydrophobicContact CB-CE2 4.31Å; V327-F381 HydrophobicContact CG2-CD2 4.17Å; V327-F381 HydrophobicContact CG2-CE2 3.8Å; V327-V394 HydrophobicContact CG1-CG1 4.32Å; V327-V394 HydrophobicContact CG2-CG1 4.19Å; V327-V394 HydrophobicContact CG2-CG2 3.95Å; V327-I396 HydrophobicContact CG1-CD1 4.34Å
328	S	95.3	Very high	89.4	Confident	12 Å²	12	44.7 Å²	44.7	8%	0.084	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.5	179.1	-31.4	0	0	0	0	108.6	F314 S315 R326 E377 E430	F314-S328 CarbonylContact C-O 3.38Å; F314-S328 VanDerWaalsContact CA-O 3.22Å; F314-S328 WeakPolarHBondContact CA-O 3.45Å; F314-S328 WeakPolarHBondContact CB-O 2.77Å; S315-S328 PolarHBondContact N-O 3.48Å; S315-S328 PolarHBondContact O-N 3.18Å; S315-S328 WeakPolarHBondContact OG-CB 3.35Å; R326-S328 PolarHBondContact NH2-OG 3.28Å; S328-E377 CarbonylContact C-O 3.4Å; S328-E377 WeakPolarHBondContact CA-O 3.36Å; S328-E430 WeakPolarHBondContact CB-OE1 3.39Å; S328-E430 PolarHBondContact OG-OE1 2.85Å
329	I	95.8	Very high	88.3	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.3	177.9	-56.1	178	0	0	0	108.5	L312 F314 V327 L349 V351 Y375 N376 E377 F379 I396	L312-I329 HydrophobicContact CD1-CG2 3.92Å; F314-I329 HydrophobicContact CB-CB 4.48Å; F314-I329 HydrophobicContact CB-CG1 3.99Å; V327-I329 HydrophobicContact CG1-CG1 4.34Å; I329-L349 HydrophobicContact CB-CD1 4.06Å; I329-L349 HydrophobicContact CD1-CD1 3.86Å; I329-L349 HydrophobicContact CG2-CD1 3.65Å; I329-V351 HydrophobicContact CD1-CG2 3.69Å; I329-Y375 HydrophobicContact CG2-CD2 4.21Å; I329-N376 WeakPolarHBondContact O-CA 3.3Å; I329-N376 PolarHBondContact O-N 3.43Å; I329-E377 PolarHBondContact N-O 2.87Å; I329-E377 PolarHBondContact O-N 3.44Å; I329-E377 VanDerWaalsContact O-N 3.1Å; I329-F379 HydrophobicContact CD1-CD2 4Å; I329-F379 HydrophobicContact CD1-CE2 3.79Å; I329-F379 HydrophobicContact CG1-CD2 4.3Å; I329-F379 HydrophobicContact CG1-CE2 4.22Å; I329-I396 HydrophobicContact CD1-CD1 3.93Å; I329-I396 HydrophobicContact CD1-CG1 4.06Å; I329-I396 HydrophobicContact CD1-CG2 3.75Å; I329-I396 HydrophobicContact CG1-CD1 4.35Å
330	A	93.9	Very high	87.4	Confident	41 Å²	41	47.5 Å²	47.5	34%	0.339	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-64.9	-174.6	0	0	0	0	0	110.8	H313 Y375 N376	H313-A330 PolarHBondContact O-N 3.37Å; A330-Y375 PolarHBondContact O-N 2.78Å; A330-N376 PolarHBondContact O-N 2.8Å; A330-N376 VanDerWaalsContact O-N 3.12Å; A330-N376 PolarHBondContact O-OD1 2.8Å
331	K	93.3	Very high	86.5	Confident	74 Å²	74	49.9 Å²	49.9	32%	0.322	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	162.7	-176.1	61.5	170.2	177.1	163.7	0	112.5	H313 E333 T373 V374	H313-K331 HydrophobicContact CB-CG 3.72Å; H313-K331 WeakPolarHBondContact CB-O 3.49Å; H313-K331 VanDerWaalsContact CE1-CE 3.45Å; H313-K331 WeakPolarHBondContact CE1-CE 3.06Å; H313-K331 PolarHBondContact N-O 3.4Å; H313-K331 WeakPolarHBondContact ND1-CE 3.41Å; H313-K331 PolarHBondContact O-N 2.92Å; K331-E333 VanDerWaalsContact CE-OE2 3.3Å; K331-E333 WeakPolarHBondContact CE-OE2 3.47Å; K331-E333 IonicContact NZ-OE2 3.32Å; K331-E333 PolarHBondContact NZ-OE2 3.22Å; K331-T373 CarbonylContact C-O 3.45Å; K331-T373 WeakPolarHBondContact CA-O 3.31Å; K331-V374 HydrophobicContact CB-CG2 4.28Å
332	A	92.5	Very high	85.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.9	159.3	0	0	0	0	0	109.3	L311 L312 L335 T373 Y375	L311-A332 CarbonylContact O-C 3.56Å; L311-A332 WeakPolarHBondContact O-CA 3.23Å; L311-A332 WeakPolarHBondContact O-CB 3.3Å; L312-A332 HydrophobicContact CD1-CB 3.84Å; A332-L335 HydrophobicContact CB-CD1 4.23Å; A332-L335 HydrophobicContact CB-CD2 3.91Å; A332-L335 HydrophobicContact CB-CG 4.34Å; A332-T373 PolarHBondContact N-O 3.32Å; A332-T373 PolarHBondContact O-N 2.56Å; A332-T373 PolarHBondContact O-OG1 2.84Å; A332-Y375 HydrophobicContact CB-CE2 4.18Å
333	E	90.6	Very high	84.9	Confident	52 Å²	52	43.2 Å²	43.2	24%	0.243	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154.8	-166.6	64.2	-171.4	-174.2	0	0	112.6	G310 L311 H313 K331 L335 D372	G310-E333 CarbonylContact C-O 3.48Å; G310-E333 WeakPolarHBondContact CA-O 3.34Å; L311-E333 HydrophobicContact CB-CG 3.95Å; L311-E333 PolarHBondContact N-O 3.04Å; L311-E333 PolarHBondContact O-N 3.31Å; H313-E333 IonicContact CD2-OE1 3.38Å; H313-E333 IonicContact CE1-OE1 2.68Å; H313-E333 IonicContact NE2-OE1 3.58Å; H313-E333 PolarHBondContact NE2-OE1 3.46Å; H313-E333 IonicContact NE2-OE2 2.73Å; K331-E333 VanDerWaalsContact CE-OE2 3.3Å; K331-E333 WeakPolarHBondContact CE-OE2 3.47Å; K331-E333 IonicContact NZ-OE2 3.32Å; K331-E333 PolarHBondContact NZ-OE2 3.22Å; E333-L335 PolarHBondContact O-N 3.27Å; E333-D372 WeakPolarHBondContact CA-OD1 3.45Å; E333-D372 WeakPolarHBondContact CB-OD1 3.42Å
334	G	85.3	Confident	84.1	Confident	33 Å²	33	44.3 Å²	44.3	34%	0.34	24%	0.238	S	C	.	.	S	Bend	trans	65.3	22.2	-177.4	0	0	0	0	0	114.1	A336 A337 D372	G334-A336 PolarHBondContact O-N 3Å; G334-A336 VanDerWaalsContact O-N 3.15Å; G334-A337 PolarHBondContact O-N 2.94Å; G334-D372 PolarHBondContact N-OD1 3.07Å
335	L	85.9	Confident	83.6	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	117.3	-166.8	-64.3	176.5	0	0	0	112.6	L309 A332 E333 A337 L345 T347 N371 T373 L398 L437	L309-L335 WeakPolarHBondContact O-CD2 3.35Å; A332-L335 HydrophobicContact CB-CD1 4.23Å; A332-L335 HydrophobicContact CB-CD2 3.91Å; A332-L335 HydrophobicContact CB-CG 4.34Å; E333-L335 PolarHBondContact O-N 3.27Å; L335-A337 PolarHBondContact O-N 2.84Å; L335-L345 HydrophobicContact CB-CD1 3.66Å; L335-T347 HydrophobicContact CD1-CG2 4.11Å; L335-N371 WeakPolarHBondContact CB-O 3.21Å; L335-N371 WeakPolarHBondContact CG-O 3.44Å; L335-N371 PolarHBondContact N-O 2.88Å; L335-T373 HydrophobicContact CD1-CG2 3.85Å; L335-T373 WeakPolarHBondContact CD1-OG1 3.29Å; L335-L398 HydrophobicContact CD1-CD2 3.81Å; L335-L398 HydrophobicContact CD2-CD2 3.34Å; L335-L398 HydrophobicContact CG-CD2 4.19Å; L335-L437 HydrophobicContact CD2-CD1 3.37Å
336	A	77.4	Confident	83.2	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.008	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	15.7	-178.9	0	0	0	0	0	116.1	D308 L309 G334 N338 L339 R340 L345 I476	D308-A336 WeakPolarHBondContact O-CA 3.36Å; L309-A336 PolarHBondContact O-N 3.4Å; G334-A336 PolarHBondContact O-N 3Å; G334-A336 VanDerWaalsContact O-N 3.15Å; A336-N338 VanDerWaalsContact C-N 3.31Å; A336-N338 PolarHBondContact O-N 2.88Å; A336-L339 PolarHBondContact O-N 3.03Å; A336-R340 PolarHBondContact O-N 3.06Å; A336-L345 HydrophobicContact CB-CD1 4.1Å; A336-I476 HydrophobicContact CB-CG2 3.77Å
337	A	73.5	Confident	83	Confident	37 Å²	37	40.5 Å²	40.5	31%	0.306	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-38.2	-170.2	0	0	0	0	0	113.3	G334 L335 L339 P341	G334-A337 PolarHBondContact O-N 2.94Å; L335-A337 PolarHBondContact O-N 2.84Å; A337-L339 VanDerWaalsContact C-N 3.35Å; A337-P341 WeakPolarHBondContact O-CD 3.49Å
338	N	69	Low	82.9	Confident	93 Å²	93	41.4 Å²	41.4	50%	0.497	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-23.7	177.5	-66.4	-7.8	0	0	0	112.8	D308 A336 R541	D308-N338 HydrophobicContact CB-CB 4.31Å; D308-N338 WeakPolarHBondContact OD1-CB 3.4Å; D308-N338 PolarHBondContact OD1-ND2 2.88Å; A336-N338 VanDerWaalsContact C-N 3.31Å; A336-N338 PolarHBondContact O-N 2.88Å; N338-R541 WeakPolarHBondContact O-CD 3.43Å; N338-R541 PolarHBondContact O-NH1 3.28Å
339	L	70.1	Confident	82.8	Confident	13 Å²	13	40.8 Å²	40.8	7%	0.068	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-53.4	-177	-79.5	160.4	0	0	0	112	D308 L309 A336 A337 R541 T542	D308-L339 HydrophobicContact CB-CD1 4.41Å; L309-L339 HydrophobicContact CD2-CD1 3.53Å; L309-L339 HydrophobicContact CG-CD1 4.23Å; A336-L339 PolarHBondContact O-N 3.03Å; A337-L339 VanDerWaalsContact C-N 3.35Å; L339-R541 HydrophobicContact CD2-CB 3.71Å; L339-R541 WeakPolarHBondContact CD2-O 3.35Å; L339-R541 HydrophobicContact CG-CB 4.32Å; L339-R541 PolarHBondContact O-NH1 3.38Å; L339-T542 HydrophobicContact CD1-CG2 4.04Å; L339-T542 HydrophobicContact CD2-CG2 4.11Å
340	R	72.2	Confident	82.7	Confident	90 Å²	90	43 Å²	43	34%	0.34	24%	0.236	S	C	.	.			trans	-145	81.5	-177.2	-68.4	-172.3	-179.9	-133.7	1.1	110.4	A336 D342 L343 I476 S477	A336-R340 PolarHBondContact O-N 3.06Å; R340-D342 WeakPolarHBondContact CA-OD1 3.43Å; R340-D342 WeakPolarHBondContact CB-OD1 3.34Å; R340-D342 PolarHBondContact O-N 3.29Å; R340-D342 VanDerWaalsContact O-N 3.15Å; R340-L343 HydrophobicContact CB-CB 3.64Å; R340-L343 HydrophobicContact CB-CD2 4.33Å; R340-L343 WeakPolarHBondContact O-CB 3.34Å; R340-L343 PolarHBondContact O-N 2.68Å; R340-I476 VanDerWaalsContact CD-O 3.32Å; R340-I476 WeakPolarHBondContact CD-O 3.43Å; R340-I476 PolarHBondContact NE-O 3.26Å; R340-S477 PolarHBondContact NE-O 3.49Å; R340-S477 VanDerWaalsContact NE-O 3.15Å; R340-S477 PolarHBondContact NH2-O 2.86Å
341	P	70.2	Confident	82.8	Confident	95 Å²	95	41 Å²	41	62%	0.617	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.5	178.5	27.3	-35.1	0	0	0	113.1	A337	A337-P341 WeakPolarHBondContact O-CD 3.49Å
342	D	72.2	Confident	82.9	Confident	125 Å²	125	38 Å²	38	67%	0.668	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.8	174.2	62	-57.1	0	0	0	114.4	R340 E344	R340-D342 WeakPolarHBondContact CA-OD1 3.43Å; R340-D342 WeakPolarHBondContact CB-OD1 3.34Å; R340-D342 PolarHBondContact O-N 3.29Å; R340-D342 VanDerWaalsContact O-N 3.15Å; D342-E344 PolarHBondContact O-N 2.95Å
343	L	74.7	Confident	83	Confident	47 Å²	47	38 Å²	38	25%	0.246	21%	0.207	C	C	.	.			trans	-91.1	95.4	-170.7	-179.5	62.1	0	0	0	112.1	R340 L345 N371 I476	R340-L343 HydrophobicContact CB-CB 3.64Å; R340-L343 HydrophobicContact CB-CD2 4.33Å; R340-L343 WeakPolarHBondContact O-CB 3.34Å; R340-L343 PolarHBondContact O-N 2.68Å; L343-L345 HydrophobicContact CD2-CD2 3.73Å; L343-L345 HydrophobicContact CG-CD2 3.84Å; L343-L345 PolarHBondContact O-N 2.85Å; L343-N371 PolarHBondContact O-OD1 2.84Å; L343-I476 HydrophobicContact CD2-CD1 4.27Å; L343-I476 HydrophobicContact CD2-CG2 4.11Å
344	E	75.2	Confident	83	Confident	115 Å²	115	36.2 Å²	36.2	54%	0.537	20%	0.2	S	C	.	.			trans	-60.4	101.5	170.9	-67.1	-172	135.4	0	0	111.9	D342 R369	D342-E344 PolarHBondContact O-N 2.95Å; E344-R369 HydrophobicContact CB-CB 4Å; E344-R369 HydrophobicContact CB-CG 3.91Å; E344-R369 HydrophobicContact CG-CB 4.37Å; E344-R369 HydrophobicContact CG-CG 4.5Å; E344-R369 WeakPolarHBondContact OE2-CD 3.47Å; E344-R369 WeakPolarHBondContact OE2-CG 3.23Å
345	L	83.5	Confident	83	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.			trans	-76	136.5	-178.5	-64.1	175.9	0	0	0	112.4	L335 A336 L343 T347 R369 S370 H400 V412 I476	L335-L345 HydrophobicContact CB-CD1 3.66Å; A336-L345 HydrophobicContact CB-CD1 4.1Å; L343-L345 HydrophobicContact CD2-CD2 3.73Å; L343-L345 HydrophobicContact CG-CD2 3.84Å; L343-L345 PolarHBondContact O-N 2.85Å; L345-T347 HydrophobicContact CB-CG2 3.76Å; L345-T347 HydrophobicContact CD1-CG2 4.48Å; L345-R369 WeakPolarHBondContact O-CA 3.5Å; L345-R369 PolarHBondContact O-N 3.08Å; L345-S370 PolarHBondContact O-N 3.33Å; L345-H400 WeakPolarHBondContact CA-ND1 3.04Å; L345-H400 HydrophobicContact CD2-CB 4.24Å; L345-H400 VanDerWaalsContact CD2-ND1 3.31Å; L345-H400 WeakPolarHBondContact CD2-ND1 3.48Å; L345-V412 HydrophobicContact CD1-CG1 4.45Å; L345-V412 HydrophobicContact CD1-CG2 4.43Å; L345-I476 HydrophobicContact CD2-CD1 4.09Å
346	S	86.6	Confident	82.6	Confident	20 Å²	20	42.1 Å²	42.1	14%	0.14	25%	0.245	C	C	.	.			trans	-112.2	87.8	171.1	-69.4	0	0	0	0	109.8	V367 R369 H400 R401	S346-V367 CarbonylContact C-O 3.45Å; S346-V367 VanDerWaalsContact CA-O 3.27Å; S346-V367 WeakPolarHBondContact CA-O 3.21Å; S346-R369 PolarHBondContact OG-N 2.9Å; S346-H400 PolarHBondContact N-ND1 2.78Å; S346-H400 CarbonylContact O-C 3.33Å; S346-H400 WeakPolarHBondContact O-CA 3.45Å; S346-R401 PolarHBondContact O-N 2.97Å
347	T	90.6	Very high	82.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	150	-162.4	59	0	0	0	0	115.2	L335 L345 L366 V367 T373 Y375 L398 C399	L335-T347 HydrophobicContact CD1-CG2 4.11Å; L345-T347 HydrophobicContact CB-CG2 3.76Å; L345-T347 HydrophobicContact CD1-CG2 4.48Å; T347-L366 CarbonylContact O-C 3.57Å; T347-L366 WeakPolarHBondContact O-CA 3.28Å; T347-V367 PolarHBondContact N-O 3.35Å; T347-V367 PolarHBondContact O-N 3.48Å; T347-T373 WeakPolarHBondContact OG1-CG2 3.22Å; T347-Y375 VanDerWaalsContact CB-OH 3.32Å; T347-Y375 WeakPolarHBondContact CB-OH 2.89Å; T347-Y375 PolarHBondContact OG1-OH 2.88Å; T347-L398 HydrophobicContact CG2-CD1 4.15Å; T347-L398 HydrophobicContact CG2-CG 4.39Å; T347-C399 CarbonylContact C-O 3.6Å; T347-C399 VanDerWaalsContact CA-O 3.27Å; T347-C399 WeakPolarHBondContact CA-O 3.35Å
348	F	92	Very high	83.3	Confident	18 Å²	18	47.6 Å²	47.6	8%	0.079	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	164.3	169.9	75.2	-80.1	0	0	0	109.1	K350 K362 S363 L366 C399 R401 D409	F348-K350 HydrophobicContact CD2-CG 4.49Å; F348-K350 HydrophobicContact CE2-CD 4.26Å; F348-K350 HydrophobicContact CE2-CG 3.89Å; F348-K362 HydrophobicContact CE2-CD 4.45Å; F348-S363 WeakPolarHBondContact CA-OG 3.39Å; F348-S363 WeakPolarHBondContact CB-OG 3.19Å; F348-L366 HydrophobicContact CB-CD1 4.1Å; F348-L366 HydrophobicContact CD1-CD1 4.07Å; F348-L366 HydrophobicContact CG-CD1 4.48Å; F348-C399 HydrophobicContact CD1-CB 3.97Å; F348-C399 WeakPolarHBondContact CD1-O 3.34Å; F348-C399 HydrophobicContact CE1-CB 3.51Å; F348-C399 HydrophobicContact CE2-CB 4.23Å; F348-C399 HydrophobicContact CZ-CB 3.67Å; F348-C399 PolarHBondContact N-O 3Å; F348-C399 PolarHBondContact O-N 2.86Å; F348-R401 HydrophobicContact CD1-CB 4.01Å; F348-R401 HydrophobicContact CE1-CB 3.85Å; F348-D409 HydrophobicContact CE1-CB 4.08Å; F348-D409 HydrophobicContact CZ-CB 4.01Å; F348-D409 VanDerWaalsContact CZ-CG 3.5Å; F348-D409 WeakPolarHBondContact CZ-OD2 3.46Å
349	L	94.1	Very high	84.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.5	-173	-60.8	156.7	0	0	0	111.3	L312 I329 V351 K362 S363 Y375 I396 R397 L398	L312-L349 HydrophobicContact CD1-CD2 4.48Å; I329-L349 HydrophobicContact CB-CD1 4.06Å; I329-L349 HydrophobicContact CD1-CD1 3.86Å; I329-L349 HydrophobicContact CG2-CD1 3.65Å; L349-V351 HydrophobicContact CB-CG2 4.4Å; L349-K362 CarbonylContact O-C 3.56Å; L349-K362 VanDerWaalsContact O-CA 3.26Å; L349-K362 WeakPolarHBondContact O-CA 3.39Å; L349-S363 PolarHBondContact N-OG 2.85Å; L349-S363 PolarHBondContact O-N 3.01Å; L349-Y375 HydrophobicContact CD1-CD1 3.55Å; L349-Y375 HydrophobicContact CD1-CD2 3.82Å; L349-Y375 HydrophobicContact CD1-CE1 3.87Å; L349-Y375 HydrophobicContact CD1-CE2 4.14Å; L349-Y375 HydrophobicContact CD1-CG 3.54Å; L349-Y375 HydrophobicContact CG-CD1 4.12Å; L349-Y375 HydrophobicContact CG-CE1 3.94Å; L349-Y375 HydrophobicContact CG-CE2 4.48Å; L349-Y375 HydrophobicContact CG-CG 4.47Å; L349-I396 HydrophobicContact CD2-CG2 3.9Å; L349-R397 CarbonylContact C-O 3.46Å; L349-R397 WeakPolarHBondContact CA-O 3.35Å; L349-L398 HydrophobicContact CD2-CD1 3.82Å
350	K	94.1	Very high	85.4	Confident	47 Å²	47	52.9 Å²	52.9	20%	0.204	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	112.9	167.2	-56.9	176.7	-174.6	165.7	0	107.3	F348 Q361 K362 R397 C399 D409	F348-K350 HydrophobicContact CD2-CG 4.49Å; F348-K350 HydrophobicContact CE2-CD 4.26Å; F348-K350 HydrophobicContact CE2-CG 3.89Å; K350-Q361 CarbonylContact C-O 3.59Å; K350-Q361 WeakPolarHBondContact CA-O 3.44Å; K350-K362 HydrophobicContact CG-CG 4.39Å; K350-R397 HydrophobicContact CB-CB 4.37Å; K350-R397 PolarHBondContact N-O 2.82Å; K350-R397 PolarHBondContact O-N 3.22Å; K350-C399 VanDerWaalsContact CD-SG 3.53Å; K350-C399 WeakPolarHBondContact CE-SG 3.14Å; K350-D409 IonicContact NZ-OD2 3.71Å; K350-D409 PolarHBondContact NZ-OD2 2.81Å
351	V	95.6	Very high	86.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.3	-174.5	-162	0	0	0	0	109.9	I329 L349 Q361 F379 F381 V394 E395 I396	I329-V351 HydrophobicContact CD1-CG2 3.69Å; L349-V351 HydrophobicContact CB-CG2 4.4Å; V351-Q361 PolarHBondContact N-O 2.83Å; V351-Q361 PolarHBondContact O-N 3.4Å; V351-F379 HydrophobicContact CB-CD2 4.43Å; V351-F379 HydrophobicContact CB-CG 4.27Å; V351-F379 HydrophobicContact CG2-CD1 4.33Å; V351-F379 HydrophobicContact CG2-CD2 3.77Å; V351-F379 HydrophobicContact CG2-CE1 4.37Å; V351-F379 HydrophobicContact CG2-CE2 3.83Å; V351-F379 HydrophobicContact CG2-CG 4.03Å; V351-F379 HydrophobicContact CG2-CZ 4.14Å; V351-F381 HydrophobicContact CB-CZ 4.45Å; V351-F381 HydrophobicContact CG1-CE2 4.33Å; V351-F381 HydrophobicContact CG1-CZ 3.92Å; V351-V394 HydrophobicContact CG1-CG1 4.31Å; V351-E395 WeakPolarHBondContact CA-O 3.46Å; V351-I396 HydrophobicContact CG1-CG1 3.87Å; V351-I396 HydrophobicContact CG2-CG1 4.49Å; V351-I396 HydrophobicContact CG2-CG2 4.36Å
352	F	95.2	Very high	87.5	Confident	12 Å²	12	53.6 Å²	53.6	5%	0.053	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	173.3	179.3	56.8	-92.5	0	0	0	112.2	K357 T358 K360 E395 R397	F352-K357 HydrophobicContact CD2-CB 3.96Å; F352-K357 HydrophobicContact CD2-CG 4.12Å; F352-K357 HydrophobicContact CE2-CB 4.05Å; F352-K357 HydrophobicContact CE2-CD 4.09Å; F352-K357 HydrophobicContact CE2-CG 3.7Å; F352-K357 HydrophobicContact CZ-CD 4.27Å; F352-K357 HydrophobicContact CZ-CG 4.37Å; F352-T358 WeakPolarHBondContact CB-O 3.44Å; F352-K360 HydrophobicContact CB-CB 4.38Å; F352-K360 HydrophobicContact CB-CG 3.85Å; F352-K360 HydrophobicContact CD1-CG 4.5Å; F352-K360 HydrophobicContact CG-CG 4.31Å; F352-E395 HydrophobicContact CD2-CB 4.04Å; F352-E395 HydrophobicContact CE2-CB 3.72Å; F352-E395 VanDerWaalsContact CE2-CD 3.42Å; F352-E395 HydrophobicContact CE2-CG 4.1Å; F352-E395 WeakPolarHBondContact CE2-OE2 3.46Å; F352-E395 HydrophobicContact CZ-CB 4Å; F352-E395 HydrophobicContact CZ-CG 4.02Å; F352-E395 WeakPolarHBondContact CZ-OE1 3.39Å; F352-E395 PolarHBondContact N-O 2.89Å; F352-E395 PolarHBondContact O-N 2.73Å; F352-R397 HydrophobicContact CE1-CG 4Å; F352-R397 HydrophobicContact CZ-CG 4.45Å
353	L	94	Very high	88.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.2	173.5	-63.4	173.1	0	0	0	111.3	L325 K357 T358 F381 I384 K392 V394 L419	L325-L353 HydrophobicContact CD2-CD2 4.23Å; L353-K357 CarbonylContact O-C 3.46Å; L353-K357 WeakPolarHBondContact O-CA 3.43Å; L353-K357 PolarHBondContact O-N 3.46Å; L353-T358 PolarHBondContact N-O 2.95Å; L353-T358 VanDerWaalsContact N-O 3.11Å; L353-T358 PolarHBondContact O-N 2.81Å; L353-F381 HydrophobicContact CD1-CB 3.98Å; L353-F381 HydrophobicContact CD1-CD1 3.74Å; L353-F381 HydrophobicContact CD1-CE1 4.46Å; L353-F381 HydrophobicContact CD1-CG 3.89Å; L353-F381 HydrophobicContact CD2-CG 4.48Å; L353-F381 HydrophobicContact CG-CD1 3.73Å; L353-F381 HydrophobicContact CG-CE1 3.96Å; L353-F381 HydrophobicContact CG-CG 4.08Å; L353-I384 HydrophobicContact CD1-CD1 3.37Å; L353-I384 HydrophobicContact CD1-CG1 4.31Å; L353-K392 HydrophobicContact CD1-CD 4.31Å; L353-V394 HydrophobicContact CD2-CB 4.47Å; L353-V394 HydrophobicContact CD2-CG2 3.59Å; L353-L419 HydrophobicContact CD2-CD1 4.34Å
354	S	91.9	Very high	88.7	Confident	13 Å²	13	54.8 Å²	54.8	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	152.1	169.8	63.6	0	0	0	0	109.6	K392 S393	S354-K392 CarbonylContact O-C 3.6Å; S354-K392 WeakPolarHBondContact O-CA 3.06Å; S354-K392 WeakPolarHBondContact O-CB 3.33Å; S354-S393 PolarHBondContact N-O 2.65Å; S354-S393 PolarHBondContact O-N 2.73Å; S354-S393 WeakPolarHBondContact OG-CB 3.4Å; S354-S393 PolarHBondContact OG-O 3.06Å
355	P	84.5	Confident	88.9	Confident	90 Å²	90	54.8 Å²	54.8	58%	0.584	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	cis	-64	171.2	-4.7	28.3	-35.9	0	0	0	113.8	K357	P355-K357 VanDerWaalsContact C-N 3.32Å; P355-K357 PolarHBondContact O-N 3.5Å
356	G	77.6	Confident	88.9	Confident	69 Å²	69	57.2 Å²	57.2	71%	0.711	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	-17.7	176.6	0	0	0	0	0	117.1
357	K	81.5	Confident	88.7	Confident	98 Å²	98	57.2 Å²	57.2	43%	0.426	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	48.3	-174.7	-52.9	-168.6	173.5	-173.6	0	112.3	F352 L353 P355 K360	F352-K357 HydrophobicContact CD2-CB 3.96Å; F352-K357 HydrophobicContact CD2-CG 4.12Å; F352-K357 HydrophobicContact CE2-CB 4.05Å; F352-K357 HydrophobicContact CE2-CD 4.09Å; F352-K357 HydrophobicContact CE2-CG 3.7Å; F352-K357 HydrophobicContact CZ-CD 4.27Å; F352-K357 HydrophobicContact CZ-CG 4.37Å; L353-K357 CarbonylContact O-C 3.46Å; L353-K357 WeakPolarHBondContact O-CA 3.43Å; L353-K357 PolarHBondContact O-N 3.46Å; P355-K357 VanDerWaalsContact C-N 3.32Å; P355-K357 PolarHBondContact O-N 3.5Å; K357-K360 WeakPolarHBondContact O-CE 3.5Å; K357-K360 WeakPolarHBondContact O-CG 3.45Å
358	T	84.4	Confident	88.2	Confident	55 Å²	55	64.1 Å²	64.1	34%	0.337	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	156	-175.3	57.6	0	0	0	0	112.2	F352 L353 K360	F352-T358 WeakPolarHBondContact CB-O 3.44Å; L353-T358 PolarHBondContact N-O 2.95Å; L353-T358 VanDerWaalsContact N-O 3.11Å; L353-T358 PolarHBondContact O-N 2.81Å; T358-K360 VanDerWaalsContact C-N 3.34Å; T358-K360 PolarHBondContact O-N 3.3Å
359	Q	90	Very high	87.4	Confident	69 Å²	69	71.1 Å²	71.1	32%	0.322	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.4	42.4	174.2	-63.1	-174.2	51.2	0	0	115.1	Q361 F381 V382	Q359-Q361 PolarHBondContact O-N 2.65Å; Q359-Q361 PolarHBondContact O-NE2 2.9Å; Q359-F381 HydrophobicContact CB-CD1 3.64Å; Q359-F381 HydrophobicContact CB-CE1 4.02Å; Q359-F381 WeakPolarHBondContact O-CE1 3.46Å; Q359-F381 VanDerWaalsContact OE1-CA 3.28Å; Q359-V382 PolarHBondContact NE2-O 2.88Å; Q359-V382 PolarHBondContact OE1-O 3.15Å
360	K	92.7	Very high	86.7	Confident	147 Å²	147	73.2 Å²	73.2	64%	0.639	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	118.6	179.5	-65.2	164.2	-176.4	140.8	0	112.2	F352 K357 T358	F352-K360 HydrophobicContact CB-CB 4.38Å; F352-K360 HydrophobicContact CB-CG 3.85Å; F352-K360 HydrophobicContact CD1-CG 4.5Å; F352-K360 HydrophobicContact CG-CG 4.31Å; K357-K360 WeakPolarHBondContact O-CE 3.5Å; K357-K360 WeakPolarHBondContact O-CG 3.45Å; T358-K360 VanDerWaalsContact C-N 3.34Å; T358-K360 PolarHBondContact O-N 3.3Å
361	Q	94.5	Very high	86.1	Confident	56 Å²	56	73 Å²	73	26%	0.262	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	157.5	172.1	-69.7	164.5	69.8	0	0	109.8	K350 V351 Q359 F379 F380	K350-Q361 CarbonylContact C-O 3.59Å; K350-Q361 WeakPolarHBondContact CA-O 3.44Å; V351-Q361 PolarHBondContact N-O 2.83Å; V351-Q361 PolarHBondContact O-N 3.4Å; Q359-Q361 PolarHBondContact O-N 2.65Å; Q359-Q361 PolarHBondContact O-NE2 2.9Å; Q361-F379 HydrophobicContact CB-CD1 3.65Å; Q361-F379 HydrophobicContact CB-CE1 4.19Å; Q361-F380 PolarHBondContact NE2-O 3.08Å
362	K	91.9	Very high	85.6	Confident	144 Å²	144	77.8 Å²	77.8	63%	0.626	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.8	174.6	-61.4	-174.6	-177.9	178.7	0	108.7	F348 L349 K350	F348-K362 HydrophobicContact CE2-CD 4.45Å; L349-K362 CarbonylContact O-C 3.56Å; L349-K362 VanDerWaalsContact O-CA 3.26Å; L349-K362 WeakPolarHBondContact O-CA 3.39Å; K350-K362 HydrophobicContact CG-CG 4.39Å
363	S	91.2	Very high	85.2	Confident	13 Å²	13	77.2 Å²	77.2	9%	0.091	39%	0.385	C	S	.	.			trans	-63	143.5	171.5	63.4	0	0	0	0	111.3	F348 L349 R365 E377	F348-S363 WeakPolarHBondContact CA-OG 3.39Å; F348-S363 WeakPolarHBondContact CB-OG 3.19Å; L349-S363 PolarHBondContact N-OG 2.85Å; L349-S363 PolarHBondContact O-N 3.01Å; S363-R365 PolarHBondContact OG-O 2.94Å; S363-E377 WeakPolarHBondContact CA-OE2 3.31Å; S363-E377 WeakPolarHBondContact CB-OE2 3.34Å
364	H	81.2	Confident	85.1	Confident	184 Å²	184	80.4 Å²	80.4	85%	0.852	40%	0.404	S	S	*	.	S	Bend	trans	-72.6	-37.9	173.3	179.3	-102.9	0	0	0	110.7	E377	H364-E377 PolarHBondContact N-OE1 2.71Å; H364-E377 PolarHBondContact N-OE2 3.36Å
365	R	79.5	Confident	85.1	Confident	116 Å²	116	80 Å²	80	44%	0.438	40%	0.401	S	S	.	.			trans	-80.1	131.2	177.4	-163.8	177.1	-176.1	170.1	-4.3	110.7	S363 V367 V374 Y375 E377	S363-R365 PolarHBondContact OG-O 2.94Å; R365-V367 HydrophobicContact CG-CG2 3.92Å; R365-V374 PolarHBondContact NE-O 2.89Å; R365-V374 PolarHBondContact NH1-O 2.82Å; R365-Y375 PolarHBondContact NH1-O 2.84Å; R365-Y375 VanDerWaalsContact NH1-O 3.09Å; R365-E377 WeakPolarHBondContact CA-OE1 3.3Å; R365-E377 WeakPolarHBondContact CB-OE1 3.38Å; R365-E377 PolarHBondContact N-OE1 2.91Å
366	L	83.6	Confident	85.5	Confident	51 Å²	51	81.3 Å²	81.3	27%	0.267	40%	0.403	S	S	.	.			trans	-104.7	104.4	160.6	173.2	67.8	0	0	0	106.9	T347 F348 K368 R401	T347-L366 CarbonylContact O-C 3.57Å; T347-L366 WeakPolarHBondContact O-CA 3.28Å; F348-L366 HydrophobicContact CB-CD1 4.1Å; F348-L366 HydrophobicContact CD1-CD1 4.07Å; F348-L366 HydrophobicContact CG-CD1 4.48Å; L366-K368 HydrophobicContact CD2-CG 4.24Å; L366-K368 HydrophobicContact CG-CG 4.09Å; L366-K368 PolarHBondContact O-N 3.47Å; L366-R401 HydrophobicContact CD1-CB 3.85Å
367	V	82.1	Confident	86.3	Confident	20 Å²	20	79.5 Å²	79.5	12%	0.121	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-79.1	110.1	176.5	-175.1	0	0	0	0	107.4	S346 T347 R365 T373 Y375	S346-V367 CarbonylContact C-O 3.45Å; S346-V367 VanDerWaalsContact CA-O 3.27Å; S346-V367 WeakPolarHBondContact CA-O 3.21Å; T347-V367 PolarHBondContact N-O 3.35Å; T347-V367 PolarHBondContact O-N 3.48Å; R365-V367 HydrophobicContact CG-CG2 3.92Å; V367-T373 HydrophobicContact CB-CG2 4.2Å; V367-T373 HydrophobicContact CG1-CG2 3.84Å; V367-Y375 HydrophobicContact CG2-CD1 4.25Å; V367-Y375 HydrophobicContact CG2-CE1 4Å
368	K	80	Confident	86.9	Confident	144 Å²	144	79.3 Å²	79.3	63%	0.626	38%	0.377	S	S	*	.			trans	-91.7	132.9	-176.5	-65.4	-178.5	-177.2	177	0	111	L366	L366-K368 HydrophobicContact CD2-CG 4.24Å; L366-K368 HydrophobicContact CG-CG 4.09Å; L366-K368 PolarHBondContact O-N 3.47Å
369	R	75.3	Confident	87.5	Confident	166 Å²	166	77 Å²	77	63%	0.626	36%	0.362	S	S	*	.	S	Bend	trans	56.3	62.1	169.2	-59.9	-175.3	-89.2	153.2	-5.9	113.3	E344 L345 S346	E344-R369 HydrophobicContact CB-CB 4Å; E344-R369 HydrophobicContact CB-CG 3.91Å; E344-R369 HydrophobicContact CG-CB 4.37Å; E344-R369 HydrophobicContact CG-CG 4.5Å; E344-R369 WeakPolarHBondContact OE2-CD 3.47Å; E344-R369 WeakPolarHBondContact OE2-CG 3.23Å; L345-R369 WeakPolarHBondContact O-CA 3.5Å; L345-R369 PolarHBondContact O-N 3.08Å; S346-R369 PolarHBondContact OG-N 2.9Å
370	S	80.1	Confident	87.7	Confident	43 Å²	43	77 Å²	77	30%	0.301	36%	0.361	S	S	.	.			trans	-152.3	146.5	168.2	-169.3	0	0	0	0	111.7	L345 D372 T373	L345-S370 PolarHBondContact O-N 3.33Å; S370-D372 WeakPolarHBondContact CB-O 3.49Å; S370-D372 PolarHBondContact OG-N 2.94Å; S370-D372 PolarHBondContact OG-O 3.48Å; S370-T373 WeakPolarHBondContact O-CG2 3.45Å
371	N	80.5	Confident	87.8	Confident	43 Å²	43	70 Å²	70	23%	0.23	33%	0.331	C	S	.	.	S	Bend	trans	-92	-15.2	173.9	-58.9	-8.3	0	0	0	111.6	L335 L343	L335-N371 WeakPolarHBondContact CB-O 3.21Å; L335-N371 WeakPolarHBondContact CG-O 3.44Å; L335-N371 PolarHBondContact N-O 2.88Å; L343-N371 PolarHBondContact O-OD1 2.84Å
372	D	85.6	Confident	87.8	Confident	100 Å²	100	70.8 Å²	70.8	54%	0.535	34%	0.339	S	S	.	.	S	Bend	trans	-115.8	121	168.2	-61.1	-45.2	0	0	0	109.2	E333 G334 S370	E333-D372 WeakPolarHBondContact CA-OD1 3.45Å; E333-D372 WeakPolarHBondContact CB-OD1 3.42Å; G334-D372 PolarHBondContact N-OD1 3.07Å; S370-D372 WeakPolarHBondContact CB-O 3.49Å; S370-D372 PolarHBondContact OG-N 2.94Å; S370-D372 PolarHBondContact OG-O 3.48Å
373	T	87	Confident	87.8	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.006	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	107.2	-161.9	57.9	0	0	0	0	110.5	K331 A332 L335 T347 V367 S370 Y375	K331-T373 CarbonylContact C-O 3.45Å; K331-T373 WeakPolarHBondContact CA-O 3.31Å; A332-T373 PolarHBondContact N-O 3.32Å; A332-T373 PolarHBondContact O-N 2.56Å; A332-T373 PolarHBondContact O-OG1 2.84Å; L335-T373 HydrophobicContact CD1-CG2 3.85Å; L335-T373 WeakPolarHBondContact CD1-OG1 3.29Å; T347-T373 WeakPolarHBondContact OG1-CG2 3.22Å; V367-T373 HydrophobicContact CB-CG2 4.2Å; V367-T373 HydrophobicContact CG1-CG2 3.84Å; S370-T373 WeakPolarHBondContact O-CG2 3.45Å; T373-Y375 WeakPolarHBondContact CB-OH 3.13Å; T373-Y375 WeakPolarHBondContact O-CD2 3.49Å; T373-Y375 VanDerWaalsContact O-CE2 3.25Å; T373-Y375 WeakPolarHBondContact O-CE2 3.32Å; T373-Y375 VanDerWaalsContact OG1-CE2 3.32Å; T373-Y375 WeakPolarHBondContact OG1-CE2 3.24Å; T373-Y375 PolarHBondContact OG1-OH 2.8Å
374	V	91.8	Very high	87.8	Confident	66 Å²	66	69.3 Å²	69.3	40%	0.4	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	124.6	174.3	-177.7	0	0	0	0	108.8	K331 R365 N376	K331-V374 HydrophobicContact CB-CG2 4.28Å; R365-V374 PolarHBondContact NE-O 2.89Å; R365-V374 PolarHBondContact NH1-O 2.82Å; V374-N376 WeakPolarHBondContact CG1-OD1 3.3Å
375	Y	91.7	Very high	88.3	Confident	5 Å²	5	63.4 Å²	63.4	2%	0.02	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-60.9	175.2	-57.9	-86	0	0	0	109.4	I329 A330 A332 T347 L349 R365 V367 T373 L398	I329-Y375 HydrophobicContact CG2-CD2 4.21Å; A330-Y375 PolarHBondContact O-N 2.78Å; A332-Y375 HydrophobicContact CB-CE2 4.18Å; T347-Y375 VanDerWaalsContact CB-OH 3.32Å; T347-Y375 WeakPolarHBondContact CB-OH 2.89Å; T347-Y375 PolarHBondContact OG1-OH 2.88Å; L349-Y375 HydrophobicContact CD1-CD1 3.55Å; L349-Y375 HydrophobicContact CD1-CD2 3.82Å; L349-Y375 HydrophobicContact CD1-CE1 3.87Å; L349-Y375 HydrophobicContact CD1-CE2 4.14Å; L349-Y375 HydrophobicContact CD1-CG 3.54Å; L349-Y375 HydrophobicContact CG-CD1 4.12Å; L349-Y375 HydrophobicContact CG-CE1 3.94Å; L349-Y375 HydrophobicContact CG-CE2 4.48Å; L349-Y375 HydrophobicContact CG-CG 4.47Å; R365-Y375 PolarHBondContact NH1-O 2.84Å; R365-Y375 VanDerWaalsContact NH1-O 3.09Å; V367-Y375 HydrophobicContact CG2-CD1 4.25Å; V367-Y375 HydrophobicContact CG2-CE1 4Å; T373-Y375 WeakPolarHBondContact CB-OH 3.13Å; T373-Y375 WeakPolarHBondContact O-CD2 3.49Å; T373-Y375 VanDerWaalsContact O-CE2 3.25Å; T373-Y375 WeakPolarHBondContact O-CE2 3.32Å; T373-Y375 VanDerWaalsContact OG1-CE2 3.32Å; T373-Y375 WeakPolarHBondContact OG1-CE2 3.24Å; T373-Y375 PolarHBondContact OG1-OH 2.8Å; Y375-L398 VanDerWaalsContact OH-CD1 3.31Å; Y375-L398 WeakPolarHBondContact OH-CD1 3.33Å
376	N	92.8	Very high	88.6	Confident	118 Å²	118	62.1 Å²	62.1	63%	0.631	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.8	54	-167	-63.6	-9.8	0	0	0	111.5	I329 A330 V374	I329-N376 WeakPolarHBondContact O-CA 3.3Å; I329-N376 PolarHBondContact O-N 3.43Å; A330-N376 PolarHBondContact O-N 2.8Å; A330-N376 VanDerWaalsContact O-N 3.12Å; A330-N376 PolarHBondContact O-OD1 2.8Å; V374-N376 WeakPolarHBondContact CG1-OD1 3.3Å
377	E	93.9	Very high	88.9	Confident	30 Å²	30	64.2 Å²	64.2	14%	0.14	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	150.5	179.7	-71.9	-170.2	-146.3	0	0	112.2	S328 I329 S363 H364 R365 F379	S328-E377 CarbonylContact C-O 3.4Å; S328-E377 WeakPolarHBondContact CA-O 3.36Å; I329-E377 PolarHBondContact N-O 2.87Å; I329-E377 PolarHBondContact O-N 3.44Å; I329-E377 VanDerWaalsContact O-N 3.1Å; S363-E377 WeakPolarHBondContact CA-OE2 3.31Å; S363-E377 WeakPolarHBondContact CB-OE2 3.34Å; H364-E377 PolarHBondContact N-OE1 2.71Å; H364-E377 PolarHBondContact N-OE2 3.36Å; R365-E377 WeakPolarHBondContact CA-OE1 3.3Å; R365-E377 WeakPolarHBondContact CB-OE1 3.38Å; R365-E377 PolarHBondContact N-OE1 2.91Å; E377-F379 HydrophobicContact CB-CE2 4.08Å; E377-F379 HydrophobicContact CB-CZ 4.14Å
378	E	95.2	Very high	89.3	Confident	94 Å²	94	64.7 Å²	64.7	44%	0.439	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.6	-179.3	-58.8	-170.4	-175.1	0	0	111.5	R326 F380	R326-E378 IonicContact CZ-OE1 2.7Å; R326-E378 IonicContact CZ-OE2 3.37Å; R326-E378 VanDerWaalsContact NE-CD 3.27Å; R326-E378 IonicContact NE-OE1 2.76Å; R326-E378 PolarHBondContact NE-OE1 3.01Å; R326-E378 IonicContact NE-OE2 2.63Å; R326-E378 PolarHBondContact NE-OE2 2.76Å; R326-E378 VanDerWaalsContact NH2-CD 3.33Å; R326-E378 IonicContact NH2-OE1 3.6Å; R326-E378 PolarHBondContact NH2-OE1 3.24Å; R326-E378 IonicContact NH2-OE2 3.5Å; E378-F380 HydrophobicContact CB-CE2 3.94Å; E378-F380 HydrophobicContact CB-CZ 4.23Å; E378-F380 VanDerWaalsContact OE2-CZ 3.31Å; E378-F380 WeakPolarHBondContact OE2-CZ 2.96Å
379	F	96	Very high	89.8	Confident	7 Å²	7	58.6 Å²	58.6	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133.2	177.7	-58.9	-78.5	0	0	0	109.6	R326 V327 I329 V351 Q361 E377 F381	R326-F379 WeakPolarHBondContact CA-O 3.31Å; V327-F379 HydrophobicContact CB-CB 4.47Å; V327-F379 PolarHBondContact N-O 2.79Å; V327-F379 PolarHBondContact O-N 2.92Å; I329-F379 HydrophobicContact CD1-CD2 4Å; I329-F379 HydrophobicContact CD1-CE2 3.79Å; I329-F379 HydrophobicContact CG1-CD2 4.3Å; I329-F379 HydrophobicContact CG1-CE2 4.22Å; V351-F379 HydrophobicContact CB-CD2 4.43Å; V351-F379 HydrophobicContact CB-CG 4.27Å; V351-F379 HydrophobicContact CG2-CD1 4.33Å; V351-F379 HydrophobicContact CG2-CD2 3.77Å; V351-F379 HydrophobicContact CG2-CE1 4.37Å; V351-F379 HydrophobicContact CG2-CE2 3.83Å; V351-F379 HydrophobicContact CG2-CG 4.03Å; V351-F379 HydrophobicContact CG2-CZ 4.14Å; Q361-F379 HydrophobicContact CB-CD1 3.65Å; Q361-F379 HydrophobicContact CB-CE1 4.19Å; E377-F379 HydrophobicContact CB-CE2 4.08Å; E377-F379 HydrophobicContact CB-CZ 4.14Å; F379-F381 HydrophobicContact CB-CE2 4.31Å
380	F	94.8	Very high	90.4	Very high	69 Å²	69	58.4 Å²	58.4	30%	0.303	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.4	-177.8	-67.3	-81.1	0	0	0	110.2	R324 L325 R326 Q361 E378	R324-F380 HydrophobicContact CG-CD1 4.42Å; L325-F380 WeakPolarHBondContact O-CA 3.2Å; R326-F380 HydrophobicContact CB-CD1 4.05Å; R326-F380 HydrophobicContact CB-CE1 3.83Å; R326-F380 HydrophobicContact CG-CD1 4.31Å; R326-F380 HydrophobicContact CG-CE1 3.72Å; R326-F380 HydrophobicContact CG-CZ 4.17Å; Q361-F380 PolarHBondContact NE2-O 3.08Å; E378-F380 HydrophobicContact CB-CE2 3.94Å; E378-F380 HydrophobicContact CB-CZ 4.23Å; E378-F380 VanDerWaalsContact OE2-CZ 3.31Å; E378-F380 WeakPolarHBondContact OE2-CZ 2.96Å
381	F	94.8	Very high	91	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128	170.8	-56.5	-84.5	0	0	0	108.7	R324 L325 V327 V351 L353 Q359 F379 I384	R324-F381 CarbonylContact C-O 3.44Å; R324-F381 VanDerWaalsContact CA-O 3.27Å; R324-F381 WeakPolarHBondContact CA-O 3.48Å; R324-F381 VanDerWaalsContact CG-O 3.29Å; R324-F381 WeakPolarHBondContact CG-O 3.4Å; L325-F381 HydrophobicContact CB-CB 4.2Å; L325-F381 HydrophobicContact CB-CD2 4.49Å; L325-F381 HydrophobicContact CD2-CD2 4.26Å; L325-F381 PolarHBondContact N-O 3.34Å; L325-F381 PolarHBondContact O-N 3.27Å; V327-F381 HydrophobicContact CB-CE2 4.31Å; V327-F381 HydrophobicContact CG2-CD2 4.17Å; V327-F381 HydrophobicContact CG2-CE2 3.8Å; V351-F381 HydrophobicContact CB-CZ 4.45Å; V351-F381 HydrophobicContact CG1-CE2 4.33Å; V351-F381 HydrophobicContact CG1-CZ 3.92Å; L353-F381 HydrophobicContact CD1-CB 3.98Å; L353-F381 HydrophobicContact CD1-CD1 3.74Å; L353-F381 HydrophobicContact CD1-CE1 4.46Å; L353-F381 HydrophobicContact CD1-CG 3.89Å; L353-F381 HydrophobicContact CD2-CG 4.48Å; L353-F381 HydrophobicContact CG-CD1 3.73Å; L353-F381 HydrophobicContact CG-CE1 3.96Å; L353-F381 HydrophobicContact CG-CG 4.08Å; Q359-F381 HydrophobicContact CB-CD1 3.64Å; Q359-F381 HydrophobicContact CB-CE1 4.02Å; Q359-F381 WeakPolarHBondContact O-CE1 3.46Å; Q359-F381 VanDerWaalsContact OE1-CA 3.28Å; F379-F381 HydrophobicContact CB-CE2 4.31Å; F381-I384 HydrophobicContact CB-CD1 4.12Å; F381-I384 HydrophobicContact CB-CG1 3.82Å
382	V	93.8	Very high	91.5	Very high	73 Å²	73	59.9 Å²	59.9	44%	0.442	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	162.7	-178.5	-64.6	0	0	0	0	110.6	K323 R324 Q359 I384	K323-V382 CarbonylContact O-C 3.48Å; R324-V382 HydrophobicContact CG-CG1 4.39Å; Q359-V382 PolarHBondContact NE2-O 2.88Å; Q359-V382 PolarHBondContact OE1-O 3.15Å; V382-I384 VanDerWaalsContact C-N 3.28Å; V382-I384 PolarHBondContact O-N 3.3Å
383	N	93	Very high	91.9	Very high	124 Å²	124	55.7 Å²	55.7	66%	0.663	29%	0.288	S	S	*	.	S	Bend	trans	53.8	47	-177.5	-54	-11.5	0	0	0	111.8	K323	K323-N383 PolarHBondContact O-N 3.13Å
384	I	91.8	Very high	92.3	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.288	C	S	.	.			trans	-105.6	115.6	173.6	-53.5	-53.6	0	0	0	107.7	Y318 K323 L325 L353 F381 V382 D388 I389	Y318-I384 HydrophobicContact CE2-CB 4.31Å; Y318-I384 HydrophobicContact CE2-CG2 4.06Å; Y318-I384 WeakPolarHBondContact CE2-O 3.29Å; Y318-I384 PolarHBondContact OH-O 2.95Å; Y318-I384 VanDerWaalsContact OH-O 3.11Å; K323-I384 CarbonylContact C-O 3.54Å; K323-I384 VanDerWaalsContact C-O 3.28Å; K323-I384 WeakPolarHBondContact CA-O 3.23Å; K323-I384 WeakPolarHBondContact CB-O 3.33Å; K323-I384 PolarHBondContact O-N 3.02Å; L325-I384 HydrophobicContact CB-CG1 4.32Å; L353-I384 HydrophobicContact CD1-CD1 3.37Å; L353-I384 HydrophobicContact CD1-CG1 4.31Å; F381-I384 HydrophobicContact CB-CD1 4.12Å; F381-I384 HydrophobicContact CB-CG1 3.82Å; V382-I384 VanDerWaalsContact C-N 3.28Å; V382-I384 PolarHBondContact O-N 3.3Å; I384-D388 WeakPolarHBondContact CA-OD2 3.18Å; I384-D388 HydrophobicContact CG2-CB 3.85Å; I384-I389 HydrophobicContact CG2-CD1 3.64Å; I384-I389 HydrophobicContact CG2-CG1 4.48Å
385	D	90.5	Very high	92.5	Very high	61 Å²	61	53.3 Å²	53.3	33%	0.326	27%	0.272	S	S	.	.			trans	-101.4	173.6	179.2	-87.1	-54.7	0	0	0	112.9	Y318 K323 D387 D388 I389	Y318-D385 VanDerWaalsContact OH-C 3.3Å; K323-D385 VanDerWaalsContact CD-OD1 3.28Å; K323-D385 WeakPolarHBondContact CD-OD1 3.26Å; K323-D385 WeakPolarHBondContact CE-OD1 3.5Å; K323-D385 IonicContact NZ-OD1 3.51Å; K323-D385 PolarHBondContact NZ-OD1 2.85Å; K323-D385 IonicContact NZ-OD2 3.48Å; K323-D385 PolarHBondContact NZ-OD2 2.98Å; D385-D387 VanDerWaalsContact C-N 3.32Å; D385-D387 PolarHBondContact O-N 3.06Å; D385-D388 PolarHBondContact N-OD2 3.13Å; D385-D388 WeakPolarHBondContact O-CA 3.5Å; D385-D388 VanDerWaalsContact O-CB 3.24Å; D385-D388 WeakPolarHBondContact O-CB 3.49Å; D385-D388 PolarHBondContact O-N 3.1Å; D385-I389 PolarHBondContact O-N 3.45Å; D385-I389 VanDerWaalsContact O-N 3.15Å
386	T	87.1	Confident	92.7	Very high	88 Å²	88	53.1 Å²	53.1	54%	0.54	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-36.8	-178	-50.8	0	0	0	0	112.8	Y318 D388 I389 R390	Y318-T386 PolarHBondContact OH-N 2.88Å; T386-D388 VanDerWaalsContact C-N 3.28Å; T386-D388 PolarHBondContact O-N 2.89Å; T386-I389 WeakPolarHBondContact O-CB 3.42Å; T386-I389 PolarHBondContact O-N 3.48Å; T386-R390 PolarHBondContact O-N 2.99Å
387	D	89.7	Confident	92.7	Very high	95 Å²	95	49.1 Å²	49.1	51%	0.508	25%	0.248	S	C	.	.	H	α-helix	trans	-67.6	-26.6	172.3	-75.3	-71.7	0	0	0	113.5	D385 R390 T391	D385-D387 VanDerWaalsContact C-N 3.32Å; D385-D387 PolarHBondContact O-N 3.06Å; D387-R390 PolarHBondContact O-N 2.88Å; D387-R390 IonicContact OD1-CZ 3.36Å; D387-R390 IonicContact OD1-NE 3.98Å; D387-R390 IonicContact OD1-NH2 3.54Å; D387-R390 PolarHBondContact OD1-NH2 3.37Å; D387-T391 WeakPolarHBondContact O-CB 3.26Å; D387-T391 WeakPolarHBondContact O-CG2 3.3Å; D387-T391 PolarHBondContact O-N 2.9Å; D387-T391 PolarHBondContact O-OG1 2.84Å
388	D	90.8	Very high	92.6	Very high	31 Å²	31	47.7 Å²	47.7	17%	0.166	24%	0.241	C	C	.	.	H	α-helix	trans	-69.5	-35.6	171.7	-74.1	-22.2	0	0	0	111.5	I384 D385 T386 R390 T391 K392	I384-D388 WeakPolarHBondContact CA-OD2 3.18Å; I384-D388 HydrophobicContact CG2-CB 3.85Å; D385-D388 PolarHBondContact N-OD2 3.13Å; D385-D388 WeakPolarHBondContact O-CA 3.5Å; D385-D388 VanDerWaalsContact O-CB 3.24Å; D385-D388 WeakPolarHBondContact O-CB 3.49Å; D385-D388 PolarHBondContact O-N 3.1Å; T386-D388 VanDerWaalsContact C-N 3.28Å; T386-D388 PolarHBondContact O-N 2.89Å; D388-R390 VanDerWaalsContact C-N 3.28Å; D388-R390 PolarHBondContact O-N 3.01Å; D388-T391 PolarHBondContact O-N 2.8Å; D388-K392 HydrophobicContact CB-CD 3.87Å; D388-K392 HydrophobicContact CB-CG 4.31Å; D388-K392 WeakPolarHBondContact O-CA 3.35Å; D388-K392 WeakPolarHBondContact O-CB 3.1Å; D388-K392 WeakPolarHBondContact O-CG 3.19Å; D388-K392 PolarHBondContact O-N 3.39Å; D388-K392 WeakPolarHBondContact OD1-CE 3.38Å; D388-K392 IonicContact OD1-NZ 2.73Å; D388-K392 PolarHBondContact OD1-NZ 2.98Å; D388-K392 IonicContact OD2-NZ 2.78Å; D388-K392 PolarHBondContact OD2-NZ 2.78Å
389	I	89.4	Confident	92.4	Very high	16 Å²	16	43.2 Å²	43.2	8%	0.082	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-38.3	173	-58	-50	0	0	0	110.4	Y318 L325 I384 D385 T386 L419 W420 L425	Y318-I389 HydrophobicContact CD1-CD1 4.22Å; Y318-I389 HydrophobicContact CD1-CG1 3.96Å; Y318-I389 HydrophobicContact CD2-CD1 3.97Å; Y318-I389 HydrophobicContact CD2-CG1 4.45Å; Y318-I389 HydrophobicContact CE1-CD1 4.27Å; Y318-I389 HydrophobicContact CE1-CG1 3.7Å; Y318-I389 HydrophobicContact CE2-CD1 4.06Å; Y318-I389 HydrophobicContact CE2-CG1 4.25Å; Y318-I389 HydrophobicContact CG-CD1 4.08Å; Y318-I389 HydrophobicContact CG-CG1 4.33Å; L325-I389 HydrophobicContact CD1-CD1 4.43Å; I384-I389 HydrophobicContact CG2-CD1 3.64Å; I384-I389 HydrophobicContact CG2-CG1 4.48Å; D385-I389 PolarHBondContact O-N 3.45Å; D385-I389 VanDerWaalsContact O-N 3.15Å; T386-I389 WeakPolarHBondContact O-CB 3.42Å; T386-I389 PolarHBondContact O-N 3.48Å; I389-L419 HydrophobicContact CD1-CD1 4Å; I389-L419 HydrophobicContact CG2-CB 4.09Å; I389-L419 CarbonylContact O-C 3.55Å; I389-L419 VanDerWaalsContact O-CB 3.28Å; I389-L419 WeakPolarHBondContact O-CB 3.48Å; I389-W420 PolarHBondContact O-N 2.9Å; I389-L425 HydrophobicContact CD1-CD2 3.81Å; I389-L425 HydrophobicContact CG1-CD2 4.34Å; I389-L425 HydrophobicContact CG2-CD2 3.8Å
390	R	88.5	Confident	92	Very high	161 Å²	161	44 Å²	44	61%	0.608	22%	0.224	S	C	*	.	H	α-helix	trans	-69.9	-31.1	177.1	-170.6	168.5	59	97	-0.7	113.6	T386 D387 D388	T386-R390 PolarHBondContact O-N 2.99Å; D387-R390 PolarHBondContact O-N 2.88Å; D387-R390 IonicContact OD1-CZ 3.36Å; D387-R390 IonicContact OD1-NE 3.98Å; D387-R390 IonicContact OD1-NH2 3.54Å; D387-R390 PolarHBondContact OD1-NH2 3.37Å; D388-R390 VanDerWaalsContact C-N 3.28Å; D388-R390 PolarHBondContact O-N 3.01Å
391	T	91.4	Very high	91.6	Very high	78 Å²	78	47.8 Å²	47.8	48%	0.479	24%	0.236	S	C	.	.	H	α-helix	trans	-108.7	-23.6	-170.2	56.6	0	0	0	0	115.4	D387 D388	D387-T391 WeakPolarHBondContact O-CB 3.26Å; D387-T391 WeakPolarHBondContact O-CG2 3.3Å; D387-T391 PolarHBondContact O-N 2.9Å; D387-T391 PolarHBondContact O-OG1 2.84Å; D388-T391 PolarHBondContact O-N 2.8Å
392	K	92.9	Very high	90.8	Very high	39 Å²	39	49 Å²	49	17%	0.17	24%	0.244	C	C	.	.			trans	-97.2	160.5	-174.8	-59.1	-177.4	-173.8	163.9	0	112.9	L353 S354 D388 L419	L353-K392 HydrophobicContact CD1-CD 4.31Å; S354-K392 CarbonylContact O-C 3.6Å; S354-K392 WeakPolarHBondContact O-CA 3.06Å; S354-K392 WeakPolarHBondContact O-CB 3.33Å; D388-K392 HydrophobicContact CB-CD 3.87Å; D388-K392 HydrophobicContact CB-CG 4.31Å; D388-K392 WeakPolarHBondContact O-CA 3.35Å; D388-K392 WeakPolarHBondContact O-CB 3.1Å; D388-K392 WeakPolarHBondContact O-CG 3.19Å; D388-K392 PolarHBondContact O-N 3.39Å; D388-K392 WeakPolarHBondContact OD1-CE 3.38Å; D388-K392 IonicContact OD1-NZ 2.73Å; D388-K392 PolarHBondContact OD1-NZ 2.98Å; D388-K392 IonicContact OD2-NZ 2.78Å; D388-K392 PolarHBondContact OD2-NZ 2.78Å; K392-L419 HydrophobicContact CB-CD1 4.33Å; K392-L419 WeakPolarHBondContact O-CB 3.21Å; K392-L419 PolarHBondContact O-N 2.91Å
393	S	94	Very high	89.6	Confident	12 Å²	12	53.6 Å²	53.6	8%	0.084	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.2	170.9	-42.5	0	0	0	0	109.7	S354 K416 L417 P418	S354-S393 PolarHBondContact N-O 2.65Å; S354-S393 PolarHBondContact O-N 2.73Å; S354-S393 WeakPolarHBondContact OG-CB 3.4Å; S354-S393 PolarHBondContact OG-O 3.06Å; S393-K416 VanDerWaalsContact CB-CE 3.47Å; S393-K416 VanDerWaalsContact OG-CE 3.24Å; S393-K416 WeakPolarHBondContact OG-CE 3.18Å; S393-L417 CarbonylContact C-O 3.56Å; S393-L417 WeakPolarHBondContact CA-O 3.48Å; S393-L417 WeakPolarHBondContact CB-O 3.35Å; S393-P418 WeakPolarHBondContact OG-CA 3.16Å
394	V	95.2	Very high	88.6	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.6	166.9	166.9	0	0	0	0	108.3	L325 V327 V351 L353 I396 K416 L417 L419	L325-V394 HydrophobicContact CD2-CG2 3.75Å; V327-V394 HydrophobicContact CG1-CG1 4.32Å; V327-V394 HydrophobicContact CG2-CG1 4.19Å; V327-V394 HydrophobicContact CG2-CG2 3.95Å; V351-V394 HydrophobicContact CG1-CG1 4.31Å; L353-V394 HydrophobicContact CD2-CB 4.47Å; L353-V394 HydrophobicContact CD2-CG2 3.59Å; V394-I396 HydrophobicContact CG1-CD1 4.39Å; V394-I396 HydrophobicContact CG1-CG1 4.02Å; V394-K416 WeakPolarHBondContact O-CA 3.42Å; V394-L417 PolarHBondContact N-O 3.43Å; V394-L417 PolarHBondContact O-N 3.33Å; V394-L419 HydrophobicContact CG2-CD1 4.35Å; V394-L419 HydrophobicContact CG2-CD2 3.85Å; V394-L419 HydrophobicContact CG2-CG 4.34Å
395	E	95	Very high	87.2	Confident	17 Å²	17	62.9 Å²	62.9	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	116	176.6	-156.1	-174.3	131.4	0	0	109	V351 F352 R397 V415 K416	V351-E395 WeakPolarHBondContact CA-O 3.46Å; F352-E395 HydrophobicContact CD2-CB 4.04Å; F352-E395 HydrophobicContact CE2-CB 3.72Å; F352-E395 VanDerWaalsContact CE2-CD 3.42Å; F352-E395 HydrophobicContact CE2-CG 4.1Å; F352-E395 WeakPolarHBondContact CE2-OE2 3.46Å; F352-E395 HydrophobicContact CZ-CB 4Å; F352-E395 HydrophobicContact CZ-CG 4.02Å; F352-E395 WeakPolarHBondContact CZ-OE1 3.39Å; F352-E395 PolarHBondContact N-O 2.89Å; F352-E395 PolarHBondContact O-N 2.73Å; E395-R397 IonicContact OE1-CZ 2.65Å; E395-R397 IonicContact OE1-NE 3.52Å; E395-R397 PolarHBondContact OE1-NE 2.85Å; E395-R397 IonicContact OE1-NH2 2.82Å; E395-R397 PolarHBondContact OE1-NH2 3.11Å; E395-V415 WeakPolarHBondContact CA-O 3.29Å; E395-K416 HydrophobicContact CG-CB 4.48Å
396	I	95.4	Very high	85.8	Confident	1 Å²	1	69 Å²	69	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.3	177.9	-57.5	162.7	0	0	0	107.7	L312 F314 V327 I329 L349 V351 V394 E414 V415	L312-I396 HydrophobicContact CD2-CB 3.95Å; L312-I396 HydrophobicContact CD2-CD1 3.86Å; L312-I396 HydrophobicContact CD2-CG2 3.64Å; F314-I396 HydrophobicContact CB-CD1 4.09Å; F314-I396 HydrophobicContact CD1-CD1 4.05Å; F314-I396 HydrophobicContact CD2-CD1 3.63Å; F314-I396 HydrophobicContact CE1-CD1 4.38Å; F314-I396 HydrophobicContact CE2-CD1 4Å; F314-I396 HydrophobicContact CG-CD1 3.65Å; F314-I396 HydrophobicContact CZ-CD1 4.36Å; V327-I396 HydrophobicContact CG1-CD1 4.34Å; I329-I396 HydrophobicContact CD1-CD1 3.93Å; I329-I396 HydrophobicContact CD1-CG1 4.06Å; I329-I396 HydrophobicContact CD1-CG2 3.75Å; I329-I396 HydrophobicContact CG1-CD1 4.35Å; L349-I396 HydrophobicContact CD2-CG2 3.9Å; V351-I396 HydrophobicContact CG1-CG1 3.87Å; V351-I396 HydrophobicContact CG2-CG1 4.49Å; V351-I396 HydrophobicContact CG2-CG2 4.36Å; V394-I396 HydrophobicContact CG1-CD1 4.39Å; V394-I396 HydrophobicContact CG1-CG1 4.02Å; I396-E414 CarbonylContact O-C 3.46Å; I396-E414 VanDerWaalsContact O-CA 3.31Å; I396-E414 WeakPolarHBondContact O-CA 3.35Å; I396-V415 PolarHBondContact N-O 3.48Å; I396-V415 PolarHBondContact O-N 3.38Å
397	R	93.1	Very high	85	Confident	33 Å²	33	70 Å²	70	13%	0.125	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.3	175	-54.9	-168.2	172.3	-142.2	-21.1	110.7	L349 K350 F352 E395 E414	L349-R397 CarbonylContact C-O 3.46Å; L349-R397 WeakPolarHBondContact CA-O 3.35Å; K350-R397 HydrophobicContact CB-CB 4.37Å; K350-R397 PolarHBondContact N-O 2.82Å; K350-R397 PolarHBondContact O-N 3.22Å; F352-R397 HydrophobicContact CE1-CG 4Å; F352-R397 HydrophobicContact CZ-CG 4.45Å; E395-R397 IonicContact OE1-CZ 2.65Å; E395-R397 IonicContact OE1-NE 3.52Å; E395-R397 PolarHBondContact OE1-NE 2.85Å; E395-R397 IonicContact OE1-NH2 2.82Å; E395-R397 PolarHBondContact OE1-NH2 3.11Å; R397-E414 HydrophobicContact CB-CB 4.43Å; R397-E414 HydrophobicContact CG-CB 3.86Å; R397-E414 IonicContact CZ-OE2 3.63Å; R397-E414 IonicContact NE-OE2 2.68Å; R397-E414 PolarHBondContact NE-OE2 2.93Å; R397-E414 IonicContact NH1-OE2 3.38Å; R397-E414 PolarHBondContact NH1-OE2 2.86Å; R397-E414 IonicContact NH2-OE1 3.68Å; R397-E414 PolarHBondContact NH2-OE1 2.85Å; R397-E414 IonicContact NH2-OE2 3.55Å; R397-E414 PolarHBondContact NH2-OE2 3.07Å
398	L	92.4	Very high	84.3	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.3	171.6	-175.5	66.6	0	0	0	109.2	L335 T347 L349 Y375 V412 G413 L437	L335-L398 HydrophobicContact CD1-CD2 3.81Å; L335-L398 HydrophobicContact CD2-CD2 3.34Å; L335-L398 HydrophobicContact CG-CD2 4.19Å; T347-L398 HydrophobicContact CG2-CD1 4.15Å; T347-L398 HydrophobicContact CG2-CG 4.39Å; L349-L398 HydrophobicContact CD2-CD1 3.82Å; Y375-L398 VanDerWaalsContact OH-CD1 3.31Å; Y375-L398 WeakPolarHBondContact OH-CD1 3.33Å; L398-V412 HydrophobicContact CB-CB 4.26Å; L398-V412 HydrophobicContact CD2-CB 3.91Å; L398-V412 HydrophobicContact CD2-CG1 3.92Å; L398-V412 HydrophobicContact CD2-CG2 4.3Å; L398-V412 HydrophobicContact CG-CB 4Å; L398-V412 HydrophobicContact CG-CG2 4.2Å; L398-V412 PolarHBondContact O-N 2.82Å; L398-G413 PolarHBondContact N-O 3.33Å; L398-L437 HydrophobicContact CB-CD2 4.02Å; L398-L437 HydrophobicContact CD2-CD1 3.66Å; L398-L437 HydrophobicContact CD2-CD2 4.47Å
399	C	90.8	Very high	84.1	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.4	-178.3	-66.5	0	0	0	0	111.4	T347 F348 K350 D409 L410	T347-C399 CarbonylContact C-O 3.6Å; T347-C399 VanDerWaalsContact CA-O 3.27Å; T347-C399 WeakPolarHBondContact CA-O 3.35Å; F348-C399 HydrophobicContact CD1-CB 3.97Å; F348-C399 WeakPolarHBondContact CD1-O 3.34Å; F348-C399 HydrophobicContact CE1-CB 3.51Å; F348-C399 HydrophobicContact CE2-CB 4.23Å; F348-C399 HydrophobicContact CZ-CB 3.67Å; F348-C399 PolarHBondContact N-O 3Å; F348-C399 PolarHBondContact O-N 2.86Å; K350-C399 VanDerWaalsContact CD-SG 3.53Å; K350-C399 WeakPolarHBondContact CE-SG 3.14Å; C399-D409 HydrophobicContact CB-CB 4.32Å; C399-L410 CarbonylContact C-O 3.52Å; C399-L410 WeakPolarHBondContact CA-O 3.19Å
400	H	88.5	Confident	83.9	Confident	22 Å²	22	75.4 Å²	75.4	10%	0.102	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.1	164.9	173.3	112.7	0	0	0	109.4	L345 S346 L410 V412 I476	L345-H400 WeakPolarHBondContact CA-ND1 3.04Å; L345-H400 HydrophobicContact CD2-CB 4.24Å; L345-H400 VanDerWaalsContact CD2-ND1 3.31Å; L345-H400 WeakPolarHBondContact CD2-ND1 3.48Å; S346-H400 PolarHBondContact N-ND1 2.78Å; S346-H400 CarbonylContact O-C 3.33Å; S346-H400 WeakPolarHBondContact O-CA 3.45Å; H400-L410 HydrophobicContact CB-CB 4.32Å; H400-L410 PolarHBondContact N-O 2.68Å; H400-L410 PolarHBondContact O-N 2.82Å; H400-V412 HydrophobicContact CB-CG2 4.01Å; H400-I476 HydrophobicContact CB-CD1 4.44Å
401	R	85.9	Confident	83.8	Confident	150 Å²	150	68.5 Å²	68.5	57%	0.566	32%	0.324	S	S	*	.			trans	-87.8	109.6	172.2	-172.5	178.3	178.2	174.5	-0.4	110.2	S346 F348 L366	S346-R401 PolarHBondContact O-N 2.97Å; F348-R401 HydrophobicContact CD1-CB 4.01Å; F348-R401 HydrophobicContact CE1-CB 3.85Å; L366-R401 HydrophobicContact CD1-CB 3.85Å
402	T	77.5	Confident	83.6	Confident	25 Å²	25	65 Å²	65	15%	0.153	30%	0.303	C	S	.	.			trans	-66.5	137.3	173.7	49.2	0	0	0	0	111.4	K404 H407 L410	T402-K404 PolarHBondContact O-N 2.8Å; T402-H407 HydrophobicContact CG2-CB 4.39Å; T402-H407 WeakPolarHBondContact OG1-CB 3.28Å; T402-H407 PolarHBondContact OG1-O 2.81Å; T402-L410 HydrophobicContact CG2-CD1 3.89Å; T402-L410 HydrophobicContact CG2-CG 3.95Å
403	N	68.5	Low	83.4	Confident	169 Å²	169	63.2 Å²	63.2	90%	0.904	30%	0.295	S	S	*	.	S	Bend	trans	-74.8	-0.9	175.4	-162.5	41.4	0	0	0	113.7
404	K	72.5	Confident	83.2	Confident	143 Å²	143	63.3 Å²	63.3	62%	0.622	29%	0.294	S	S	*	.	S	Bend	trans	-86.9	119.1	176.1	-59.9	-176.3	177.8	-173.8	0	109.3	T402 F406 H407	T402-K404 PolarHBondContact O-N 2.8Å; K404-F406 PolarHBondContact O-N 3.49Å; K404-H407 HydrophobicContact CB-CB 4.32Å; K404-H407 VanDerWaalsContact CB-CD2 3.42Å; K404-H407 WeakPolarHBondContact CB-CD2 2.97Å; K404-H407 PolarHBondContact O-N 2.88Å; K404-H407 VanDerWaalsContact O-N 3.13Å
405	Q	62.2	Low	83.1	Confident	178 Å²	178	63.6 Å²	63.6	83%	0.832	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.4	-167.6	-66.5	178.6	-8.6	0	0	115.4
406	F	61.8	Low	83	Confident	190 Å²	190	68.6 Å²	68.6	83%	0.833	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	6	-176	-56.7	-74.8	0	0	0	114.5	K404	K404-F406 PolarHBondContact O-N 3.49Å
407	H	69.1	Low	83	Confident	108 Å²	108	68.8 Å²	68.8	50%	0.5	32%	0.318	S	S	.	.	S	Bend	trans	-95.6	137.9	174.3	-75	-102	0	0	0	110.7	T402 K404	T402-H407 HydrophobicContact CG2-CB 4.39Å; T402-H407 WeakPolarHBondContact OG1-CB 3.28Å; T402-H407 PolarHBondContact OG1-O 2.81Å; K404-H407 HydrophobicContact CB-CB 4.32Å; K404-H407 VanDerWaalsContact CB-CD2 3.42Å; K404-H407 WeakPolarHBondContact CB-CD2 2.97Å; K404-H407 PolarHBondContact O-N 2.88Å; K404-H407 VanDerWaalsContact O-N 3.13Å
408	H	76.2	Confident	83	Confident	167 Å²	167	68.9 Å²	68.9	77%	0.773	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-66.2	152.6	173.4	-55	-56.7	0	0	0	111.7	L410	H408-L410 PolarHBondContact O-N 2.9Å
409	D	85	Confident	83	Confident	53 Å²	53	68.9 Å²	68.9	28%	0.283	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-56.8	126.6	170.4	-44.9	-56.6	0	0	0	109.9	F348 K350 C399	F348-D409 HydrophobicContact CE1-CB 4.08Å; F348-D409 HydrophobicContact CZ-CB 4.01Å; F348-D409 VanDerWaalsContact CZ-CG 3.5Å; F348-D409 WeakPolarHBondContact CZ-OD2 3.46Å; K350-D409 IonicContact NZ-OD2 3.71Å; K350-D409 PolarHBondContact NZ-OD2 2.81Å; C399-D409 HydrophobicContact CB-CB 4.32Å
410	L	85.3	Confident	82.9	Confident	36 Å²	36	76.4 Å²	76.4	19%	0.188	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.4	178.1	-54.8	-178.5	0	0	0	109.2	C399 H400 T402 H408 E475 I476	C399-L410 CarbonylContact C-O 3.52Å; C399-L410 WeakPolarHBondContact CA-O 3.19Å; H400-L410 HydrophobicContact CB-CB 4.32Å; H400-L410 PolarHBondContact N-O 2.68Å; H400-L410 PolarHBondContact O-N 2.82Å; T402-L410 HydrophobicContact CG2-CD1 3.89Å; T402-L410 HydrophobicContact CG2-CG 3.95Å; H408-L410 PolarHBondContact O-N 2.9Å; L410-E475 HydrophobicContact CB-CB 4.03Å; L410-E475 HydrophobicContact CD2-CB 4.08Å; L410-E475 HydrophobicContact CD2-CG 4.31Å; L410-I476 HydrophobicContact CB-CD1 4.37Å
411	V	87.6	Confident	82.8	Confident	16 Å²	16	78.4 Å²	78.4	10%	0.097	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.2	172.1	-176.5	0	0	0	0	108.4	R440 E475	V411-R440 HydrophobicContact CB-CB 4.43Å; V411-R440 HydrophobicContact CG1-CB 4.04Å; V411-E475 PolarHBondContact N-OE2 3.11Å
412	V	87.4	Confident	82.9	Confident	5 Å²	5	71.9 Å²	71.9	3%	0.03	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-51.2	174.1	-179.1	0	0	0	0	109.1	L309 L345 L398 H400 I476	L309-V412 WeakPolarHBondContact CD1-O 3.43Å; L309-V412 WeakPolarHBondContact CD2-O 3.24Å; L345-V412 HydrophobicContact CD1-CG1 4.45Å; L345-V412 HydrophobicContact CD1-CG2 4.43Å; L398-V412 HydrophobicContact CB-CB 4.26Å; L398-V412 HydrophobicContact CD2-CB 3.91Å; L398-V412 HydrophobicContact CD2-CG1 3.92Å; L398-V412 HydrophobicContact CD2-CG2 4.3Å; L398-V412 HydrophobicContact CG-CB 4Å; L398-V412 HydrophobicContact CG-CG2 4.2Å; L398-V412 PolarHBondContact O-N 2.82Å; H400-V412 HydrophobicContact CB-CG2 4.01Å; V412-I476 HydrophobicContact CB-CG1 4.27Å; V412-I476 HydrophobicContact CG1-CG1 4.34Å; V412-I476 HydrophobicContact CG2-CD1 4.1Å; V412-I476 HydrophobicContact CG2-CG1 4.14Å
413	G	88.3	Confident	82.8	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	175.8	175.6	0	0	0	0	0	111.3	L398 I438	L398-G413 PolarHBondContact N-O 3.33Å; G413-I438 CarbonylContact C-O 3.59Å; G413-I438 VanDerWaalsContact CA-O 3.24Å; G413-I438 WeakPolarHBondContact CA-O 3.33Å
414	E	90.7	Very high	83.2	Confident	14 Å²	14	73.1 Å²	73.1	7%	0.065	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.8	177.8	60.7	-161.2	-158.3	0	0	112.2	I396 R397 I438 Q441	I396-E414 CarbonylContact O-C 3.46Å; I396-E414 VanDerWaalsContact O-CA 3.31Å; I396-E414 WeakPolarHBondContact O-CA 3.35Å; R397-E414 HydrophobicContact CB-CB 4.43Å; R397-E414 HydrophobicContact CG-CB 3.86Å; R397-E414 IonicContact CZ-OE2 3.63Å; R397-E414 IonicContact NE-OE2 2.68Å; R397-E414 PolarHBondContact NE-OE2 2.93Å; R397-E414 IonicContact NH1-OE2 3.38Å; R397-E414 PolarHBondContact NH1-OE2 2.86Å; R397-E414 IonicContact NH2-OE1 3.68Å; R397-E414 PolarHBondContact NH2-OE1 2.85Å; R397-E414 IonicContact NH2-OE2 3.55Å; R397-E414 PolarHBondContact NH2-OE2 3.07Å; E414-I438 PolarHBondContact N-O 2.7Å; E414-I438 WeakPolarHBondContact O-CB 3.46Å; E414-I438 PolarHBondContact O-N 2.8Å; E414-Q441 PolarHBondContact OE1-N 3.18Å
415	V	92.8	Very high	83.4	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.042	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130	172.1	175.4	0	0	0	0	107.6	L312 F314 E395 I396 R435 L437	L312-V415 HydrophobicContact CB-CG2 4.21Å; L312-V415 HydrophobicContact CD2-CB 4.08Å; L312-V415 HydrophobicContact CD2-CG2 3.82Å; F314-V415 HydrophobicContact CE1-CG1 3.93Å; F314-V415 HydrophobicContact CZ-CG1 4.1Å; E395-V415 WeakPolarHBondContact CA-O 3.29Å; I396-V415 PolarHBondContact N-O 3.48Å; I396-V415 PolarHBondContact O-N 3.38Å; V415-R435 HydrophobicContact CG1-CB 3.81Å; V415-R435 HydrophobicContact CG1-CG 4.18Å; V415-R435 HydrophobicContact CG2-CB 4.25Å; V415-L437 HydrophobicContact CG2-CD2 4.1Å
416	K	93.3	Very high	83.9	Confident	123 Å²	123	62 Å²	62	54%	0.535	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.9	173.9	-174.5	-174	176.2	-167.1	0	109.1	S393 V394 E395	S393-K416 VanDerWaalsContact CB-CE 3.47Å; S393-K416 VanDerWaalsContact OG-CE 3.24Å; S393-K416 WeakPolarHBondContact OG-CE 3.18Å; V394-K416 WeakPolarHBondContact O-CA 3.42Å; E395-K416 HydrophobicContact CG-CB 4.48Å
417	L	93.9	Very high	84.4	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	106.3	173.4	177.7	62.9	0	0	0	109	F314 V316 S393 V394 L419 V422 F433	F314-L417 HydrophobicContact CE2-CB 4.47Å; F314-L417 HydrophobicContact CE2-CD2 3.75Å; F314-L417 HydrophobicContact CZ-CB 4.34Å; F314-L417 HydrophobicContact CZ-CD2 4.09Å; V316-L417 HydrophobicContact CG2-CD2 3.91Å; S393-L417 CarbonylContact C-O 3.56Å; S393-L417 WeakPolarHBondContact CA-O 3.48Å; S393-L417 WeakPolarHBondContact CB-O 3.35Å; V394-L417 PolarHBondContact N-O 3.43Å; V394-L417 PolarHBondContact O-N 3.33Å; L417-L419 PolarHBondContact O-N 3.34Å; L417-V422 HydrophobicContact CD1-CG2 4.02Å; L417-V422 HydrophobicContact CD2-CG2 4.21Å; L417-V422 HydrophobicContact CG-CG2 4.33Å; L417-F433 HydrophobicContact CD1-CE1 4.42Å; L417-F433 HydrophobicContact CD2-CD2 3.89Å; L417-F433 HydrophobicContact CD2-CE1 4.36Å; L417-F433 HydrophobicContact CD2-CE2 3.63Å; L417-F433 HydrophobicContact CD2-CG 4.37Å; L417-F433 HydrophobicContact CD2-CZ 3.89Å
418	P	93.5	Very high	84.8	Confident	35 Å²	35	56.1 Å²	56.1	23%	0.227	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	129.2	166.8	-13.9	28.5	0	0	0	109.4	S393 W420 T421	S393-P418 WeakPolarHBondContact OG-CA 3.16Å; P418-W420 VanDerWaalsContact C-N 3.32Å; P418-W420 HydrophobicContact CB-CG 4.44Å; P418-W420 PolarHBondContact O-N 3.44Å; P418-T421 PolarHBondContact O-N 3.05Å
419	L	91.9	Very high	85.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-73.9	-27.2	-172.6	-69.5	173	0	0	0	112.2	V316 L325 L353 I389 K392 V394 L417 T421 V422 L425	V316-L419 HydrophobicContact CG1-CD2 4.36Å; L325-L419 HydrophobicContact CD1-CD2 4.5Å; L325-L419 HydrophobicContact CD2-CD1 3.78Å; L325-L419 HydrophobicContact CD2-CD2 4.05Å; L353-L419 HydrophobicContact CD2-CD1 4.34Å; I389-L419 HydrophobicContact CD1-CD1 4Å; I389-L419 HydrophobicContact CG2-CB 4.09Å; I389-L419 CarbonylContact O-C 3.55Å; I389-L419 VanDerWaalsContact O-CB 3.28Å; I389-L419 WeakPolarHBondContact O-CB 3.48Å; K392-L419 HydrophobicContact CB-CD1 4.33Å; K392-L419 WeakPolarHBondContact O-CB 3.21Å; K392-L419 PolarHBondContact O-N 2.91Å; V394-L419 HydrophobicContact CG2-CD1 4.35Å; V394-L419 HydrophobicContact CG2-CD2 3.85Å; V394-L419 HydrophobicContact CG2-CG 4.34Å; L417-L419 PolarHBondContact O-N 3.34Å; L419-T421 PolarHBondContact O-N 3.34Å; L419-V422 PolarHBondContact O-N 3.33Å; L419-L425 HydrophobicContact CD2-CD2 4.2Å
420	W	88.6	Confident	85.5	Confident	159 Å²	159	53.5 Å²	53.5	60%	0.602	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-64.7	-23.5	174.7	69.9	-102.4	0	0	0	113.7	I389 P418 V422	I389-W420 PolarHBondContact O-N 2.9Å; P418-W420 VanDerWaalsContact C-N 3.32Å; P418-W420 HydrophobicContact CB-CG 4.44Å; P418-W420 PolarHBondContact O-N 3.44Å; W420-V422 PolarHBondContact O-N 2.76Å
421	T	87.9	Confident	85.8	Confident	64 Å²	64	52.1 Å²	52.1	39%	0.393	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-75.9	1	178.8	-44.2	0	0	0	0	112.4	P418 L419	P418-T421 PolarHBondContact O-N 3.05Å; L419-T421 PolarHBondContact O-N 3.34Å
422	V	87.3	Confident	86.1	Confident	13 Å²	13	55 Å²	55	8%	0.079	27%	0.271	C	S	.	.			trans	-117.8	80.2	-177.1	-170.1	0	0	0	0	109.5	L417 L419 W420 E424 L425 I431 F433	L417-V422 HydrophobicContact CD1-CG2 4.02Å; L417-V422 HydrophobicContact CD2-CG2 4.21Å; L417-V422 HydrophobicContact CG-CG2 4.33Å; L419-V422 PolarHBondContact O-N 3.33Å; W420-V422 PolarHBondContact O-N 2.76Å; V422-E424 PolarHBondContact O-N 3.02Å; V422-E424 VanDerWaalsContact O-N 3.12Å; V422-L425 HydrophobicContact CB-CB 4.47Å; V422-L425 HydrophobicContact CB-CD1 4.04Å; V422-L425 HydrophobicContact CG1-CB 4.3Å; V422-L425 HydrophobicContact CG1-CD1 3.65Å; V422-L425 WeakPolarHBondContact O-CB 3.42Å; V422-L425 PolarHBondContact O-N 3.48Å; V422-L425 VanDerWaalsContact O-N 3.08Å; V422-I431 HydrophobicContact CG1-CD1 3.44Å; V422-I431 VanDerWaalsContact CG1-CD1 3.44Å; V422-I431 HydrophobicContact CG1-CG2 4.37Å; V422-F433 HydrophobicContact CB-CZ 4.46Å; V422-F433 HydrophobicContact CG1-CZ 3.89Å; V422-F433 HydrophobicContact CG2-CE1 4.22Å; V422-F433 HydrophobicContact CG2-CZ 3.63Å
423	N	75.7	Confident	86.4	Confident	144 Å²	144	55.7 Å²	55.7	77%	0.77	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-53	-37.8	-174.3	-61.4	-0.9	0	0	0	113.1	L425	N423-L425 VanDerWaalsContact C-N 3.28Å; N423-L425 PolarHBondContact O-N 3.41Å
424	E	76.6	Confident	86.7	Confident	75 Å²	75	59 Å²	59	35%	0.35	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-77.1	-2.2	-176.5	-69.3	175.4	-164.5	0	0	114.7	V422 T426 S427 I431	V422-E424 PolarHBondContact O-N 3.02Å; V422-E424 VanDerWaalsContact O-N 3.12Å; E424-T426 PolarHBondContact O-N 2.97Å; E424-S427 WeakPolarHBondContact O-CB 3.5Å; E424-S427 PolarHBondContact O-N 2.99Å; E424-S427 PolarHBondContact O-OG 3.35Å; E424-I431 HydrophobicContact CB-CD1 3.6Å
425	L	76.4	Confident	86.7	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.01	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-57.8	-29.6	-172	-147.1	79.7	0	0	0	113.3	V316 Y318 L325 I389 L419 V422 N423 S427 I431	V316-L425 HydrophobicContact CB-CD1 4.23Å; V316-L425 HydrophobicContact CG1-CD1 3.87Å; Y318-L425 WeakPolarHBondContact CB-O 3.27Å; Y318-L425 HydrophobicContact CG-CD2 4.34Å; L325-L425 HydrophobicContact CD1-CD2 3.94Å; I389-L425 HydrophobicContact CD1-CD2 3.81Å; I389-L425 HydrophobicContact CG1-CD2 4.34Å; I389-L425 HydrophobicContact CG2-CD2 3.8Å; L419-L425 HydrophobicContact CD2-CD2 4.2Å; V422-L425 HydrophobicContact CB-CB 4.47Å; V422-L425 HydrophobicContact CB-CD1 4.04Å; V422-L425 HydrophobicContact CG1-CB 4.3Å; V422-L425 HydrophobicContact CG1-CD1 3.65Å; V422-L425 WeakPolarHBondContact O-CB 3.42Å; V422-L425 PolarHBondContact O-N 3.48Å; V422-L425 VanDerWaalsContact O-N 3.08Å; N423-L425 VanDerWaalsContact C-N 3.28Å; N423-L425 PolarHBondContact O-N 3.41Å; L425-S427 VanDerWaalsContact C-N 3.31Å; L425-S427 PolarHBondContact O-N 2.82Å; L425-I431 HydrophobicContact CD1-CD1 4.37Å
426	T	71.6	Confident	86.6	Confident	85 Å²	85	64 Å²	64	52%	0.521	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-71.7	-19.4	177.9	52	0	0	0	0	114.1	E424 K428	E424-T426 PolarHBondContact O-N 2.97Å; T426-K428 PolarHBondContact O-N 2.89Å; T426-K428 VanDerWaalsContact O-N 3.15Å
427	S	74.2	Confident	86.4	Confident	47 Å²	47	58.2 Å²	58.2	33%	0.329	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-66.7	-13.1	-176.8	69.7	0	0	0	0	114.6	E424 L425 H429	E424-S427 WeakPolarHBondContact O-CB 3.5Å; E424-S427 PolarHBondContact O-N 2.99Å; E424-S427 PolarHBondContact O-OG 3.35Å; L425-S427 VanDerWaalsContact C-N 3.31Å; L425-S427 PolarHBondContact O-N 2.82Å; S427-H429 PolarHBondContact O-N 3.22Å; S427-H429 WeakPolarHBondContact OG-CB 3.28Å; S427-H429 PolarHBondContact OG-CD2 2.86Å; S427-H429 PolarHBondContact OG-N 3.32Å; S427-H429 VanDerWaalsContact OG-N 3.15Å
428	K	77.3	Confident	85.9	Confident	128 Å²	128	62.1 Å²	62.1	56%	0.557	31%	0.311	S	S	*	.			trans	70.3	0.2	-169	-44.7	157.6	-172.7	160.8	0	114.5	Q317 T426	Q317-K428 WeakPolarHBondContact CG-O 3.32Å; Q317-K428 PolarHBondContact NE2-O 3.21Å; T426-K428 PolarHBondContact O-N 2.89Å; T426-K428 VanDerWaalsContact O-N 3.15Å
429	H	84.8	Confident	85.3	Confident	112 Å²	112	61.7 Å²	61.7	52%	0.519	31%	0.309	S	S	.	.			trans	-68.6	154.7	172.7	-67.7	-65.9	0	0	0	111.5	S427	S427-H429 PolarHBondContact O-N 3.22Å; S427-H429 WeakPolarHBondContact OG-CB 3.28Å; S427-H429 PolarHBondContact OG-CD2 2.86Å; S427-H429 PolarHBondContact OG-N 3.32Å; S427-H429 VanDerWaalsContact OG-N 3.15Å
430	E	90	Very high	84.8	Confident	54 Å²	54	65.9 Å²	65.9	25%	0.252	32%	0.324	S	S	.	.			trans	-92.8	114.7	173.4	179.7	165.8	-162.9	0	0	108.7	S315 Q317 R326 S328	S315-E430 WeakPolarHBondContact CB-OE1 3.29Å; S315-E430 PolarHBondContact OG-OE1 2.87Å; Q317-E430 HydrophobicContact CB-CB 4.23Å; Q317-E430 HydrophobicContact CB-CG 4.47Å; Q317-E430 HydrophobicContact CG-CB 4.49Å; R326-E430 IonicContact CZ-OE1 3.34Å; R326-E430 IonicContact CZ-OE2 2.78Å; R326-E430 IonicContact NH1-OE1 3.07Å; R326-E430 PolarHBondContact NH1-OE1 2.95Å; R326-E430 IonicContact NH1-OE2 2.86Å; R326-E430 PolarHBondContact NH1-OE2 2.84Å; R326-E430 IonicContact NH2-OE1 3.49Å; R326-E430 IonicContact NH2-OE2 2.71Å; R326-E430 PolarHBondContact NH2-OE2 2.99Å; S328-E430 WeakPolarHBondContact CB-OE1 3.39Å; S328-E430 PolarHBondContact OG-OE1 2.85Å
431	I	92	Very high	84.2	Confident	7 Å²	7	65.7 Å²	65.7	4%	0.036	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.3	-171.5	-57.5	167.9	0	0	0	108.3	S315 V316 V422 E424 L425 F433	S315-I431 CarbonylContact C-O 3.52Å; S315-I431 WeakPolarHBondContact CA-O 3.4Å; S315-I431 VanDerWaalsContact CB-O 3.24Å; S315-I431 WeakPolarHBondContact CB-O 3.49Å; V316-I431 PolarHBondContact N-O 3.48Å; V316-I431 PolarHBondContact O-N 2.99Å; V422-I431 HydrophobicContact CG1-CD1 3.44Å; V422-I431 VanDerWaalsContact CG1-CD1 3.44Å; V422-I431 HydrophobicContact CG1-CG2 4.37Å; E424-I431 HydrophobicContact CB-CD1 3.6Å; L425-I431 HydrophobicContact CD1-CD1 4.37Å; I431-F433 HydrophobicContact CB-CE2 4.14Å; I431-F433 HydrophobicContact CB-CZ 4.23Å; I431-F433 HydrophobicContact CG2-CE1 4.13Å; I431-F433 HydrophobicContact CG2-CE2 3.83Å; I431-F433 HydrophobicContact CG2-CZ 3.51Å; I431-F433 WeakPolarHBondContact O-CE2 3.18Å
432	H	93.3	Very high	83.8	Confident	76 Å²	76	65.3 Å²	65.3	35%	0.352	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.4	-175.9	-67.8	-88.8	0	0	0	112.1
433	F	94.1	Very high	83.3	Confident	19 Å²	19	75 Å²	75	8%	0.083	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.7	-179.8	-60.2	-78.1	0	0	0	110.8	H313 F314 V316 L417 V422 I431	H313-F433 WeakPolarHBondContact CA-O 3.45Å; F314-F433 HydrophobicContact CD1-CB 4.11Å; F314-F433 HydrophobicContact CD2-CB 4.45Å; F314-F433 HydrophobicContact CD2-CD2 4.27Å; F314-F433 HydrophobicContact CE1-CB 3.66Å; F314-F433 HydrophobicContact CE2-CB 4.05Å; F314-F433 AromaticContact CE2-CD2 3.81Å; F314-F433 HydrophobicContact CE2-CD2 3.81Å; F314-F433 HydrophobicContact CE2-CG 4.19Å; F314-F433 HydrophobicContact CG-CB 4.48Å; F314-F433 HydrophobicContact CZ-CB 3.64Å; F314-F433 HydrophobicContact CZ-CD2 4.16Å; F314-F433 HydrophobicContact CZ-CG 4.05Å; F314-F433 PolarHBondContact N-O 2.99Å; F314-F433 PolarHBondContact O-N 3.37Å; F314-F433 VanDerWaalsContact O-O 3.09Å; V316-F433 HydrophobicContact CB-CE2 4.19Å; V316-F433 HydrophobicContact CG2-CD2 4.19Å; V316-F433 HydrophobicContact CG2-CE2 3.97Å; L417-F433 HydrophobicContact CD1-CE1 4.42Å; L417-F433 HydrophobicContact CD2-CD2 3.89Å; L417-F433 HydrophobicContact CD2-CE1 4.36Å; L417-F433 HydrophobicContact CD2-CE2 3.63Å; L417-F433 HydrophobicContact CD2-CG 4.37Å; L417-F433 HydrophobicContact CD2-CZ 3.89Å; V422-F433 HydrophobicContact CB-CZ 4.46Å; V422-F433 HydrophobicContact CG1-CZ 3.89Å; V422-F433 HydrophobicContact CG2-CE1 4.22Å; V422-F433 HydrophobicContact CG2-CZ 3.63Å; I431-F433 HydrophobicContact CB-CE2 4.14Å; I431-F433 HydrophobicContact CB-CZ 4.23Å; I431-F433 HydrophobicContact CG2-CE1 4.13Å; I431-F433 HydrophobicContact CG2-CE2 3.83Å; I431-F433 HydrophobicContact CG2-CZ 3.51Å; I431-F433 WeakPolarHBondContact O-CE2 3.18Å
434	V	93.9	Very high	83.8	Confident	69 Å²	69	76.9 Å²	76.9	42%	0.418	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.6	162.4	-172.7	0	0	0	0	106.8	L311 L312	L311-V434 HydrophobicContact CB-CG1 4.2Å; L311-V434 HydrophobicContact CD1-CG1 4.12Å; L312-V434 WeakPolarHBondContact O-CA 3.36Å
435	R	92.4	Very high	84.5	Confident	94 Å²	94	74.2 Å²	74.2	36%	0.355	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.3	179.3	-66.2	-65.7	-172.6	-175.8	-1.1	110	L312 F314 V415	L312-R435 PolarHBondContact N-O 2.9Å; L312-R435 PolarHBondContact O-N 3.27Å; F314-R435 HydrophobicContact CE1-CB 4.25Å; F314-R435 HydrophobicContact CE1-CG 4.05Å; F314-R435 HydrophobicContact CZ-CG 4.43Å; V415-R435 HydrophobicContact CG1-CB 3.81Å; V415-R435 HydrophobicContact CG1-CG 4.18Å; V415-R435 HydrophobicContact CG2-CB 4.25Å
436	S	89.8	Confident	85.4	Confident	33 Å²	33	74.6 Å²	74.6	23%	0.231	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	144.7	173.5	-37.1	0	0	0	0	111.1	A306 L311 I438	A306-S436 WeakPolarHBondContact O-CB 3.46Å; L311-S436 WeakPolarHBondContact CD2-OG 3.24Å; S436-I438 PolarHBondContact O-N 2.8Å
437	L	88.8	Confident	86.6	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.01	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-74.6	122.1	177.8	-76.9	155.8	0	0	0	110.1	L309 G310 L312 L335 L398 V415	L309-L437 HydrophobicContact CB-CB 3.76Å; L309-L437 WeakPolarHBondContact CB-O 3.42Å; L309-L437 WeakPolarHBondContact CD1-O 3.39Å; L309-L437 WeakPolarHBondContact O-CD1 3.34Å; G310-L437 PolarHBondContact O-N 2.73Å; L312-L437 HydrophobicContact CB-CG 4.44Å; L335-L437 HydrophobicContact CD2-CD1 3.37Å; L398-L437 HydrophobicContact CB-CD2 4.02Å; L398-L437 HydrophobicContact CD2-CD1 3.66Å; L398-L437 HydrophobicContact CD2-CD2 4.47Å; V415-L437 HydrophobicContact CG2-CD2 4.1Å
438	I	84.4	Confident	87.7	Confident	86 Å²	86	73.4 Å²	73.4	44%	0.441	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-90.7	143.1	179.5	-55.9	178.3	0	0	0	108.6	G413 E414 S436 R440	G413-I438 CarbonylContact C-O 3.59Å; G413-I438 VanDerWaalsContact CA-O 3.24Å; G413-I438 WeakPolarHBondContact CA-O 3.33Å; E414-I438 PolarHBondContact N-O 2.7Å; E414-I438 WeakPolarHBondContact O-CB 3.46Å; E414-I438 PolarHBondContact O-N 2.8Å; S436-I438 PolarHBondContact O-N 2.8Å; I438-R440 PolarHBondContact O-N 2.78Å
439	P	80.2	Confident	88.7	Confident	27 Å²	27	68.9 Å²	68.9	18%	0.175	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-54.3	138.2	170.4	-24.2	33	0	0	0	111.3	L309 Q441 F474	L309-P439 HydrophobicContact CD1-CB 4.3Å; L309-P439 HydrophobicContact CD1-CG 3.81Å; P439-Q441 PolarHBondContact O-N 3Å; P439-F474 HydrophobicContact CB-CD1 4.32Å; P439-F474 HydrophobicContact CB-CE1 4.07Å
440	R	80.8	Confident	89.4	Confident	87 Å²	87	63.8 Å²	63.8	33%	0.328	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-51.8	126.5	-179.3	168.5	-179.9	160.5	-159.2	-7.3	111.5	V411 I438 L442 E475	V411-R440 HydrophobicContact CB-CB 4.43Å; V411-R440 HydrophobicContact CG1-CB 4.04Å; I438-R440 PolarHBondContact O-N 2.78Å; R440-L442 HydrophobicContact CG-CD2 4.32Å; R440-L442 PolarHBondContact O-N 3.42Å; R440-E475 IonicContact NH1-OE1 3.82Å; R440-E475 PolarHBondContact NH1-OE1 3.37Å; R440-E475 IonicContact NH1-OE2 3.7Å; R440-E475 PolarHBondContact NH1-OE2 3.23Å
441	Q	75.9	Confident	89.7	Confident	155 Å²	155	61.4 Å²	61.4	72%	0.724	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-67.8	123.4	178	-65.4	-170.6	-9.3	0	0	110.7	E414 P439	E414-Q441 PolarHBondContact OE1-N 3.18Å; P439-Q441 PolarHBondContact O-N 3Å
442	L	79.4	Confident	90	Very high	57 Å²	57	61.2 Å²	61.2	30%	0.298	29%	0.285	S	S	.	.			trans	-106	129	-177.9	-64.2	177	0	0	0	110.6	R440 K444 L445 P472 F474	R440-L442 HydrophobicContact CG-CD2 4.32Å; R440-L442 PolarHBondContact O-N 3.42Å; L442-K444 PolarHBondContact O-N 3Å; L442-L445 HydrophobicContact CB-CD2 4.06Å; L442-P472 HydrophobicContact CD1-CB 3.64Å; L442-P472 HydrophobicContact CD1-CG 3.84Å; L442-F474 HydrophobicContact CD1-CE1 4.49Å
443	K	77.1	Confident	90.2	Very high	217 Å²	217	58.4 Å²	58.4	94%	0.943	27%	0.274	S	S	*	.	S	Bend	trans	-74.2	-8.7	-179.6	-69.1	-165.7	171.4	-162.4	0	114.8
444	K	86.8	Confident	90.3	Very high	183 Å²	183	57.7 Å²	57.7	80%	0.796	27%	0.271	S	S	*	.			trans	-140.7	127.2	179.4	-66.1	-174.1	177.6	-175.2	0	106.8	L442	L442-K444 PolarHBondContact O-N 3Å
445	L	91.5	Very high	90.4	Very high	19 Å²	19	56.8 Å²	56.8	10%	0.099	26%	0.262	C	S	.	.			trans	-116.8	15	-175.1	-57.8	165.8	0	0	0	112.1	L442 L471 P472 L582 K583 A584	L442-L445 HydrophobicContact CB-CD2 4.06Å; L445-L471 WeakPolarHBondContact O-CD2 3.18Å; L445-P472 HydrophobicContact CB-CG 4.37Å; L445-P472 HydrophobicContact CD2-CG 3.77Å; L445-P472 WeakPolarHBondContact O-CD 3.42Å; L445-L582 HydrophobicContact CB-CB 3.96Å; L445-L582 VanDerWaalsContact O-CD1 3.29Å; L445-L582 WeakPolarHBondContact O-CD1 3.49Å; L445-K583 VanDerWaalsContact CD1-C 3.43Å; L445-A584 HydrophobicContact CD1-CB 3.95Å
446	G	94.2	Very high	90.4	Very high	9 Å²	9	54.8 Å²	54.8	9%	0.093	26%	0.261	C	S	.	.			trans	97.4	-176.9	-176.1	0	0	0	0	0	113.7	D469 D470 L582	G446-D469 CarbonylContact C-O 3.53Å; G446-D469 WeakPolarHBondContact CA-O 3.35Å; G446-D470 VanDerWaalsContact CA-O 3.3Å; G446-D470 WeakPolarHBondContact CA-O 3.4Å; G446-D470 PolarHBondContact N-O 3.42Å; G446-L582 PolarHBondContact O-N 2.63Å
447	R	97.1	Very high	90.5	Very high	107 Å²	107	58.2 Å²	58.2	40%	0.404	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	123.9	175.2	-69.6	176.5	-65.5	144	5.8	110.7	H449 I468 D469 D470 H580	R447-H449 PolarHBondContact O-CD2 3.22Å; R447-I468 WeakPolarHBondContact O-CA 3.35Å; R447-I468 VanDerWaalsContact O-CG2 3.3Å; R447-I468 WeakPolarHBondContact O-CG2 3.16Å; R447-D469 PolarHBondContact N-O 3.35Å; R447-D469 IonicContact NH2-OD2 3.63Å; R447-D469 PolarHBondContact O-N 3.18Å; R447-D470 IonicContact NE-OD2 3.83Å; R447-D470 IonicContact NH2-OD2 3.51Å; R447-D470 PolarHBondContact NH2-OD2 2.8Å; R447-H580 CarbonylContact C-O 3.59Å; R447-H580 WeakPolarHBondContact CA-O 3.34Å
448	I	98.2	Very high	90.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	138.2	177	-175.1	160.8	0	0	0	110.6	L450 I465 I468 V484 V532 V534 V550 S579 H580 L582	I448-L450 HydrophobicContact CD1-CD2 4.29Å; I448-L450 HydrophobicContact CG1-CD2 4.23Å; I448-L450 HydrophobicContact CG2-CD2 4.42Å; I448-I465 HydrophobicContact CD1-CD1 4.5Å; I448-I468 HydrophobicContact CB-CG1 4.25Å; I448-I468 HydrophobicContact CD1-CD1 4.4Å; I448-I468 HydrophobicContact CD1-CG1 4.3Å; I448-I468 HydrophobicContact CG1-CG1 4.02Å; I448-V484 HydrophobicContact CD1-CG1 4.21Å; I448-V484 HydrophobicContact CD1-CG2 4.32Å; I448-V532 HydrophobicContact CD1-CG1 3.67Å; I448-V534 HydrophobicContact CD1-CG2 4.17Å; I448-V550 HydrophobicContact CG2-CG1 4.29Å; I448-V550 HydrophobicContact CG2-CG2 3.86Å; I448-S579 VanDerWaalsContact O-CA 3.31Å; I448-S579 WeakPolarHBondContact O-CA 3.47Å; I448-H580 HydrophobicContact CG2-CB 4.12Å; I448-H580 PolarHBondContact N-O 3Å; I448-H580 PolarHBondContact O-N 2.82Å; I448-L582 HydrophobicContact CB-CD2 4.26Å; I448-L582 HydrophobicContact CB-CG 4.45Å; I448-L582 HydrophobicContact CG2-CD2 4Å; I448-L582 HydrophobicContact CG2-CG 4.36Å
449	H	98.5	Very high	91.4	Very high	33 Å²	33	63.2 Å²	63.2	15%	0.153	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	116	176.1	-60.8	-106.8	0	0	0	108.9	R447 A466 K467 D469 S579	R447-H449 PolarHBondContact O-CD2 3.22Å; H449-A466 HydrophobicContact CB-CB 4.39Å; H449-A466 WeakPolarHBondContact O-CB 3.22Å; H449-A466 PolarHBondContact O-N 3.15Å; H449-K467 HydrophobicContact CB-CG 3.92Å; H449-K467 WeakPolarHBondContact CB-O 3.35Å; H449-K467 PolarHBondContact N-O 3.46Å; H449-K467 PolarHBondContact O-N 3.47Å; H449-D469 IonicContact CD2-OD2 3.57Å; H449-D469 IonicContact CE1-OD2 2.7Å; H449-D469 IonicContact NE2-OD2 3.68Å; H449-D469 PolarHBondContact NE2-OD2 3.28Å; H449-S579 PolarHBondContact CE1-OG 3.09Å; H449-S579 PolarHBondContact ND1-OG 3.12Å
450	L	98.3	Very high	92.1	Very high	5 Å²	5	65.9 Å²	65.9	3%	0.026	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	160.8	-177.3	70.4	91.9	0	0	0	111.6	I448 V463 N464 I465 V532 L552 Q564 A578	I448-L450 HydrophobicContact CD1-CD2 4.29Å; I448-L450 HydrophobicContact CG1-CD2 4.23Å; I448-L450 HydrophobicContact CG2-CD2 4.42Å; L450-V463 HydrophobicContact CD1-CG1 4.43Å; L450-N464 CarbonylContact C-O 3.57Å; L450-N464 VanDerWaalsContact CA-O 3.23Å; L450-N464 WeakPolarHBondContact CA-O 3.19Å; L450-N464 WeakPolarHBondContact CB-O 3.1Å; L450-I465 HydrophobicContact CB-CD1 3.94Å; L450-I465 HydrophobicContact CD2-CD1 4.45Å; L450-V532 HydrophobicContact CD2-CG1 4.35Å; L450-V532 HydrophobicContact CD2-CG2 4.3Å; L450-L552 HydrophobicContact CD1-CD1 3.92Å; L450-L552 HydrophobicContact CD2-CD1 4.19Å; L450-Q564 PolarHBondContact O-NE2 3.37Å; L450-A578 PolarHBondContact N-O 3.41Å; L450-A578 VanDerWaalsContact N-O 3.15Å; L450-A578 PolarHBondContact O-N 2.87Å; L450-A578 VanDerWaalsContact O-O 3.07Å
451	S	97.9	Very high	92.9	Very high	5 Å²	5	61.7 Å²	61.7	4%	0.035	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151	169.8	56.3	0	0	0	0	111.7	V463 N464 E575 V576	S451-V463 CarbonylContact O-C 3.56Å; S451-V463 WeakPolarHBondContact O-CA 3.48Å; S451-N464 PolarHBondContact N-O 2.8Å; S451-N464 PolarHBondContact O-N 3.15Å; S451-N464 WeakPolarHBondContact OG-CB 3.29Å; S451-N464 PolarHBondContact OG-ND2 3.09Å; S451-E575 WeakPolarHBondContact CB-OE1 3.3Å; S451-E575 PolarHBondContact OG-OE1 3.02Å; S451-V576 WeakPolarHBondContact CA-O 3.09Å; S451-V576 WeakPolarHBondContact CB-O 3.22Å
452	A	97.2	Very high	94	Very high	3 Å²	3	55.5 Å²	55.5	3%	0.025	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.6	178.4	0	0	0	0	0	110.3	T462 M568 V576	A452-T462 CarbonylContact C-O 3.4Å; A452-T462 WeakPolarHBondContact CA-O 3.07Å; A452-M568 HydrophobicContact CB-CG 4.37Å; A452-M568 HydrophobicContact CB-SD 3.59Å; A452-M568 VanDerWaalsContact CB-SD 3.59Å; A452-V576 PolarHBondContact N-O 3.34Å; A452-V576 PolarHBondContact O-N 2.81Å
453	C	97.4	Very high	94.8	Very high	17 Å²	17	52.8 Å²	52.8	12%	0.115	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.3	173.5	-173.9	0	0	0	0	109.4	T462 G573 E575	C453-T462 PolarHBondContact N-O 2.87Å; C453-T462 PolarHBondContact O-N 2.85Å; C453-G573 VanDerWaalsContact SG-C 3.58Å; C453-E575 HydrophobicContact CB-CB 4.49Å
454	L	96.4	Very high	95.9	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.5	179.7	171.7	60.6	0	0	0	110.1	T456 I518 L525 M568 L569 P572 G573	L454-T456 HydrophobicContact CD1-CG2 4.41Å; L454-T456 HydrophobicContact CD2-CG2 4.35Å; L454-T456 HydrophobicContact CG-CG2 4.13Å; L454-I518 HydrophobicContact CD1-CD1 3.28Å; L454-L525 HydrophobicContact CD1-CD2 3.97Å; L454-L525 HydrophobicContact CD2-CD2 4.26Å; L454-M568 HydrophobicContact CB-CG 3.74Å; L454-M568 HydrophobicContact CB-SD 4.22Å; L454-L569 HydrophobicContact CD2-CD2 3.82Å; L454-P572 CarbonylContact O-C 3.54Å; L454-P572 VanDerWaalsContact O-CA 3.28Å; L454-P572 WeakPolarHBondContact O-CA 3.36Å; L454-G573 PolarHBondContact O-N 3.15Å
455	E	95.5	Very high	96.4	Very high	50 Å²	50	35.8 Å²	35.8	23%	0.234	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	89.1	177.6	-63.8	171	-178.5	0	0	109.4	A457 A458 R459 R460	E455-A457 PolarHBondContact O-N 3.29Å; E455-A458 HydrophobicContact CB-CB 3.9Å; E455-A458 CarbonylContact O-C 3.48Å; E455-A458 PolarHBondContact O-N 2.78Å; E455-R459 PolarHBondContact O-N 2.91Å; E455-R460 HydrophobicContact CB-CB 4.39Å; E455-R460 PolarHBondContact N-O 3.42Å; E455-R460 PolarHBondContact O-N 3.25Å; E455-R460 IonicContact OE1-CZ 3.07Å; E455-R460 IonicContact OE1-NE 3.2Å; E455-R460 IonicContact OE1-NH2 2.82Å; E455-R460 PolarHBondContact OE1-NH2 3.03Å; E455-R460 IonicContact OE2-CZ 2.84Å; E455-R460 IonicContact OE2-NE 2.72Å; E455-R460 PolarHBondContact OE2-NE 3.34Å; E455-R460 IonicContact OE2-NH2 2.74Å; E455-R460 PolarHBondContact OE2-NH2 2.88Å
456	T	92.1	Very high	96.7	Very high	53 Å²	53	36.5 Å²	36.5	33%	0.325	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-45	-176.7	51.3	0	0	0	0	112.5	L454 A458 R459 L525 P572	L454-T456 HydrophobicContact CD1-CG2 4.41Å; L454-T456 HydrophobicContact CD2-CG2 4.35Å; L454-T456 HydrophobicContact CG-CG2 4.13Å; T456-A458 PolarHBondContact O-N 3.28Å; T456-R459 PolarHBondContact O-N 2.93Å; T456-R459 VanDerWaalsContact O-N 3.1Å; T456-L525 HydrophobicContact CG2-CD1 4.15Å; T456-P572 HydrophobicContact CG2-CB 4.34Å
457	A	93.2	Very high	96.9	Very high	105 Å²	105	39.4 Å²	39.4	87%	0.868	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-35.3	178.5	0	0	0	0	0	113.4	E455 R459	E455-A457 PolarHBondContact O-N 3.29Å; A457-R459 VanDerWaalsContact C-N 3.28Å
458	A	95.3	Very high	97	Very high	58 Å²	58	34.3 Å²	34.3	48%	0.479	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.7	175	0	0	0	0	0	113	E455 T456 R460	E455-A458 HydrophobicContact CB-CB 3.9Å; E455-A458 CarbonylContact O-C 3.48Å; E455-A458 PolarHBondContact O-N 2.78Å; T456-A458 PolarHBondContact O-N 3.28Å; A458-R460 HydrophobicContact CB-CB 4.28Å; A458-R460 PolarHBondContact O-N 2.78Å
459	R	95.7	Very high	97	Very high	134 Å²	134	35.4 Å²	35.4	51%	0.506	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	41.5	-174.1	-68.1	-172.7	58	-178	-3.7	113	E455 T456 A457 L517 I518	E455-R459 PolarHBondContact O-N 2.91Å; T456-R459 PolarHBondContact O-N 2.93Å; T456-R459 VanDerWaalsContact O-N 3.1Å; A457-R459 VanDerWaalsContact C-N 3.28Å; R459-L517 WeakPolarHBondContact O-CA 3.28Å; R459-I518 VanDerWaalsContact C-CG1 3.4Å; R459-I518 PolarHBondContact NE-O 2.78Å; R459-I518 PolarHBondContact NH2-O 2.74Å; R459-I518 VanDerWaalsContact O-CG1 3.31Å; R459-I518 WeakPolarHBondContact O-CG1 3.22Å; R459-I518 PolarHBondContact O-N 3.44Å
460	R	96.5	Very high	96.8	Very high	83 Å²	83	38.6 Å²	38.6	31%	0.313	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.6	-171.8	-178.1	168	66	156.7	3.4	112.1	E455 A458 M515 F516	E455-R460 HydrophobicContact CB-CB 4.39Å; E455-R460 PolarHBondContact N-O 3.42Å; E455-R460 PolarHBondContact O-N 3.25Å; E455-R460 IonicContact OE1-CZ 3.07Å; E455-R460 IonicContact OE1-NE 3.2Å; E455-R460 IonicContact OE1-NH2 2.82Å; E455-R460 PolarHBondContact OE1-NH2 3.03Å; E455-R460 IonicContact OE2-CZ 2.84Å; E455-R460 IonicContact OE2-NE 2.72Å; E455-R460 PolarHBondContact OE2-NE 3.34Å; E455-R460 IonicContact OE2-NH2 2.74Å; E455-R460 PolarHBondContact OE2-NH2 2.88Å; A458-R460 HydrophobicContact CB-CB 4.28Å; A458-R460 PolarHBondContact O-N 2.78Å; R460-M515 HydrophobicContact CG-CB 4.45Å; R460-M515 PolarHBondContact NH1-SD 2.84Å; R460-F516 WeakPolarHBondContact CA-O 3.49Å
461	L	97.1	Very high	96.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.3	161.9	173.9	63.6	0	0	0	108.2	V463 L488 M515 F516 I518 M528 M568	L461-V463 HydrophobicContact CD2-CG2 4.39Å; L461-V463 HydrophobicContact CG-CG2 4.16Å; L461-L488 HydrophobicContact CD2-CD1 3.76Å; L461-L488 HydrophobicContact CD2-CD2 4.16Å; L461-M515 CarbonylContact O-C 3.28Å; L461-M515 WeakPolarHBondContact O-CA 3.32Å; L461-F516 HydrophobicContact CB-CB 4.44Å; L461-F516 PolarHBondContact N-O 2.85Å; L461-F516 PolarHBondContact O-N 3.06Å; L461-I518 HydrophobicContact CB-CD1 4.32Å; L461-I518 HydrophobicContact CB-CG2 4.09Å; L461-M528 HydrophobicContact CD2-CE 4.1Å; L461-M528 HydrophobicContact CD2-SD 4.36Å; L461-M568 HydrophobicContact CD1-CE 4.32Å; L461-M568 HydrophobicContact CD1-SD 3.53Å; L461-M568 VanDerWaalsContact CD1-SD 3.53Å
462	T	97.9	Very high	96.1	Very high	25 Å²	25	38.7 Å²	38.7	15%	0.153	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.4	175.1	-55.3	0	0	0	0	109.7	A452 C453 A513 M515	A452-T462 CarbonylContact C-O 3.4Å; A452-T462 WeakPolarHBondContact CA-O 3.07Å; C453-T462 PolarHBondContact N-O 2.87Å; C453-T462 PolarHBondContact O-N 2.85Å; T462-A513 HydrophobicContact CG2-CB 4.33Å; T462-M515 HydrophobicContact CG2-CG 4.06Å
463	V	98.1	Very high	95.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.9	177.3	-175.4	0	0	0	0	108.6	L450 S451 L461 I465 I486 V514 F516 L530	L450-V463 HydrophobicContact CD1-CG1 4.43Å; S451-V463 CarbonylContact O-C 3.56Å; S451-V463 WeakPolarHBondContact O-CA 3.48Å; L461-V463 HydrophobicContact CD2-CG2 4.39Å; L461-V463 HydrophobicContact CG-CG2 4.16Å; V463-I465 HydrophobicContact CG1-CD1 4.02Å; V463-I486 HydrophobicContact CG1-CD1 4.21Å; V463-V514 PolarHBondContact N-O 3.45Å; V463-V514 PolarHBondContact O-N 2.75Å; V463-F516 HydrophobicContact CG2-CE2 4.41Å; V463-L530 HydrophobicContact CG2-CD1 4.23Å; V463-L530 HydrophobicContact CG2-CD2 3.77Å
464	N	98.3	Very high	94.4	Very high	42 Å²	42	46.3 Å²	46.3	23%	0.225	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.1	-178.5	165.8	26.5	0	0	0	109.7	L450 S451 A466 E512 A513 E575	L450-N464 CarbonylContact C-O 3.57Å; L450-N464 VanDerWaalsContact CA-O 3.23Å; L450-N464 WeakPolarHBondContact CA-O 3.19Å; L450-N464 WeakPolarHBondContact CB-O 3.1Å; S451-N464 PolarHBondContact N-O 2.8Å; S451-N464 PolarHBondContact O-N 3.15Å; S451-N464 WeakPolarHBondContact OG-CB 3.29Å; S451-N464 PolarHBondContact OG-ND2 3.09Å; N464-A466 PolarHBondContact O-N 3.04Å; N464-E512 WeakPolarHBondContact CA-O 3.17Å; N464-A513 HydrophobicContact CB-CB 4.45Å; N464-E575 PolarHBondContact ND2-OE1 3.23Å
465	I	98.5	Very high	93.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	107.8	176.9	-53.2	-54.5	0	0	0	107.9	I448 L450 V463 V484 I486 T499 F510 K511 E512 V532	I448-I465 HydrophobicContact CD1-CD1 4.5Å; L450-I465 HydrophobicContact CB-CD1 3.94Å; L450-I465 HydrophobicContact CD2-CD1 4.45Å; V463-I465 HydrophobicContact CG1-CD1 4.02Å; I465-V484 HydrophobicContact CD1-CG1 4.3Å; I465-V484 HydrophobicContact CG1-CG1 4.41Å; I465-V484 HydrophobicContact CG2-CG2 4.02Å; I465-I486 HydrophobicContact CD1-CD1 3.83Å; I465-I486 HydrophobicContact CD1-CG1 4.5Å; I465-I486 HydrophobicContact CG1-CD1 3.77Å; I465-T499 HydrophobicContact CB-CG2 4.25Å; I465-T499 HydrophobicContact CG1-CG2 4.07Å; I465-F510 HydrophobicContact CB-CB 4.37Å; I465-F510 HydrophobicContact CG2-CB 4.07Å; I465-F510 HydrophobicContact CG2-CD2 3.61Å; I465-F510 HydrophobicContact CG2-CE2 4.35Å; I465-F510 HydrophobicContact CG2-CG 4.04Å; I465-F510 WeakPolarHBondContact O-CB 3.5Å; I465-K511 VanDerWaalsContact O-CA 3.29Å; I465-K511 WeakPolarHBondContact O-CA 3.11Å; I465-K511 PolarHBondContact O-N 2.79Å; I465-E512 PolarHBondContact N-O 3.33Å; I465-E512 PolarHBondContact O-N 3.4Å; I465-E512 VanDerWaalsContact O-N 3.1Å; I465-V532 HydrophobicContact CD1-CG1 4.34Å
466	A	98.3	Very high	92.2	Very high	35 Å²	35	46.8 Å²	46.8	29%	0.289	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-60.2	-176.7	0	0	0	0	0	111.3	H449 N464 F510 K511	H449-A466 HydrophobicContact CB-CB 4.39Å; H449-A466 WeakPolarHBondContact O-CB 3.22Å; H449-A466 PolarHBondContact O-N 3.15Å; N464-A466 PolarHBondContact O-N 3.04Å; A466-F510 PolarHBondContact O-N 3.31Å; A466-K511 PolarHBondContact O-N 3.08Å; A466-K511 VanDerWaalsContact O-N 3.11Å
467	K	98.3	Very high	91.4	Very high	70 Å²	70	45.7 Å²	45.7	30%	0.304	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	170.8	-178.5	63	164.3	-170	150.5	0	111.5	H449 D469 P508 V509	H449-K467 HydrophobicContact CB-CG 3.92Å; H449-K467 WeakPolarHBondContact CB-O 3.35Å; H449-K467 PolarHBondContact N-O 3.46Å; H449-K467 PolarHBondContact O-N 3.47Å; K467-D469 WeakPolarHBondContact CE-OD1 3.43Å; K467-D469 IonicContact NZ-OD1 2.71Å; K467-D469 PolarHBondContact NZ-OD1 3.12Å; K467-D469 IonicContact NZ-OD2 2.74Å; K467-D469 PolarHBondContact NZ-OD2 3.16Å; K467-P508 CarbonylContact C-O 3.5Å; K467-P508 WeakPolarHBondContact CA-O 3.4Å; K467-P508 WeakPolarHBondContact CB-O 3.17Å; K467-V509 HydrophobicContact CB-CB 4.5Å; K467-V509 HydrophobicContact CB-CG2 4.07Å
468	I	98.4	Very high	90.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.1	164.8	-48.7	169.7	0	0	0	107.8	R447 I448 L471 V484 N507 P508 F510 V534 L582	R447-I468 WeakPolarHBondContact O-CA 3.35Å; R447-I468 VanDerWaalsContact O-CG2 3.3Å; R447-I468 WeakPolarHBondContact O-CG2 3.16Å; I448-I468 HydrophobicContact CB-CG1 4.25Å; I448-I468 HydrophobicContact CD1-CD1 4.4Å; I448-I468 HydrophobicContact CD1-CG1 4.3Å; I448-I468 HydrophobicContact CG1-CG1 4.02Å; I468-L471 HydrophobicContact CB-CD1 4.38Å; I468-L471 HydrophobicContact CB-CG 4.32Å; I468-L471 HydrophobicContact CD1-CD1 4.24Å; I468-L471 HydrophobicContact CG2-CD1 4.21Å; I468-L471 HydrophobicContact CG2-CD2 3.69Å; I468-L471 HydrophobicContact CG2-CG 3.69Å; I468-V484 HydrophobicContact CD1-CG2 3.88Å; I468-N507 CarbonylContact O-C 3.55Å; I468-N507 VanDerWaalsContact O-CA 3.29Å; I468-N507 WeakPolarHBondContact O-CA 3.22Å; I468-P508 HydrophobicContact CB-CG 3.83Å; I468-P508 HydrophobicContact CD1-CG 4.04Å; I468-P508 HydrophobicContact CG1-CG 4.11Å; I468-P508 PolarHBondContact N-O 3.26Å; I468-P508 WeakPolarHBondContact O-CD 3.46Å; I468-F510 HydrophobicContact CD1-CE2 3.8Å; I468-F510 HydrophobicContact CD1-CZ 4.49Å; I468-F510 HydrophobicContact CG1-CE2 4.05Å; I468-V534 HydrophobicContact CD1-CB 4.27Å; I468-V534 HydrophobicContact CD1-CG1 3.57Å; I468-V534 HydrophobicContact CD1-CG2 3.62Å; I468-L582 HydrophobicContact CG2-CD1 3.78Å
469	D	97.4	Very high	90.4	Very high	23 Å²	23	42.2 Å²	42.2	12%	0.123	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	150.9	172.5	-62.6	-27.6	0	0	0	110.7	G446 R447 H449 K467 L471 N507	G446-D469 CarbonylContact C-O 3.53Å; G446-D469 WeakPolarHBondContact CA-O 3.35Å; R447-D469 PolarHBondContact N-O 3.35Å; R447-D469 IonicContact NH2-OD2 3.63Å; R447-D469 PolarHBondContact O-N 3.18Å; H449-D469 IonicContact CD2-OD2 3.57Å; H449-D469 IonicContact CE1-OD2 2.7Å; H449-D469 IonicContact NE2-OD2 3.68Å; H449-D469 PolarHBondContact NE2-OD2 3.28Å; K467-D469 WeakPolarHBondContact CE-OD1 3.43Å; K467-D469 IonicContact NZ-OD1 2.71Å; K467-D469 PolarHBondContact NZ-OD1 3.12Å; K467-D469 IonicContact NZ-OD2 2.74Å; K467-D469 PolarHBondContact NZ-OD2 3.16Å; D469-L471 PolarHBondContact O-N 2.97Å; D469-N507 WeakPolarHBondContact CA-OD1 3.14Å
470	D	95.1	Very high	90.1	Very high	100 Å²	100	35.9 Å²	35.9	54%	0.535	18%	0.178	S	C	.	.	S	Bend	trans	61.6	32.3	164.4	-50.8	-53.8	0	0	0	115.9	G446 R447 N507	G446-D470 VanDerWaalsContact CA-O 3.3Å; G446-D470 WeakPolarHBondContact CA-O 3.4Å; G446-D470 PolarHBondContact N-O 3.42Å; R447-D470 IonicContact NE-OD2 3.83Å; R447-D470 IonicContact NH2-OD2 3.51Å; R447-D470 PolarHBondContact NH2-OD2 2.8Å; D470-N507 PolarHBondContact N-OD1 2.87Å
471	L	93.6	Very high	89.9	Confident	5 Å²	5	33.3 Å²	33.3	3%	0.026	17%	0.171	C	C	.	.			trans	-64.5	140.9	177.1	-72.9	177.6	0	0	0	112.6	L445 I468 D469 R473 P480 P482 S506 P508 V534 I547 L582	L445-L471 WeakPolarHBondContact O-CD2 3.18Å; I468-L471 HydrophobicContact CB-CD1 4.38Å; I468-L471 HydrophobicContact CB-CG 4.32Å; I468-L471 HydrophobicContact CD1-CD1 4.24Å; I468-L471 HydrophobicContact CG2-CD1 4.21Å; I468-L471 HydrophobicContact CG2-CD2 3.69Å; I468-L471 HydrophobicContact CG2-CG 3.69Å; D469-L471 PolarHBondContact O-N 2.97Å; L471-R473 PolarHBondContact O-N 2.88Å; L471-P480 HydrophobicContact CB-CG 4.48Å; L471-P482 HydrophobicContact CD1-CB 3.64Å; L471-P482 HydrophobicContact CD1-CG 3.85Å; L471-S506 WeakPolarHBondContact CB-O 3.44Å; L471-S506 PolarHBondContact N-O 3.15Å; L471-S506 WeakPolarHBondContact O-CB 3.43Å; L471-S506 PolarHBondContact O-OG 3.15Å; L471-P508 HydrophobicContact CD1-CG 3.87Å; L471-V534 HydrophobicContact CD1-CG1 4.23Å; L471-V534 HydrophobicContact CD2-CG1 4.14Å; L471-I547 HydrophobicContact CD1-CD1 4.34Å; L471-I547 HydrophobicContact CD2-CD1 4.42Å; L471-I547 HydrophobicContact CD2-CG2 4.32Å; L471-L582 HydrophobicContact CD2-CD1 3.66Å
472	P	87.2	Confident	89.8	Confident	7 Å²	7	33.3 Å²	33.3	5%	0.045	17%	0.171	C	C	.	.			trans	-41	121.5	170.9	-37.5	38.9	0	0	0	115.6	L442 L445 F474 P480 I547	L442-P472 HydrophobicContact CD1-CB 3.64Å; L442-P472 HydrophobicContact CD1-CG 3.84Å; L445-P472 HydrophobicContact CB-CG 4.37Å; L445-P472 HydrophobicContact CD2-CG 3.77Å; L445-P472 WeakPolarHBondContact O-CD 3.42Å; P472-F474 HydrophobicContact CB-CE2 4.27Å; P472-F474 HydrophobicContact CB-CZ 4.22Å; P472-P480 WeakPolarHBondContact O-CD 3.49Å; P472-I547 HydrophobicContact CB-CG2 4.14Å; P472-I547 HydrophobicContact CG-CG2 3.71Å
473	R	82.6	Confident	89.7	Confident	121 Å²	121	33.5 Å²	33.5	46%	0.457	17%	0.17	S	C	.	.			trans	-94.8	98.5	161.6	-177.1	-169.8	172.4	-76.4	-7.9	108.3	L471 E475 G478 L479	L471-R473 PolarHBondContact O-N 2.88Å; R473-E475 PolarHBondContact O-N 2.71Å; R473-G478 CarbonylContact C-O 3.5Å; R473-G478 WeakPolarHBondContact CG-O 3.47Å; R473-L479 HydrophobicContact CB-CD2 4.21Å; R473-L479 HydrophobicContact CG-CD2 3.85Å; R473-L479 HydrophobicContact CG-CG 4.32Å
474	F	76.3	Confident	89.6	Confident	58 Å²	58	33.5 Å²	33.5	25%	0.254	17%	0.17	S	C	.	.			trans	-64.3	123.4	175.8	-68.4	-69.3	0	0	0	110.2	P439 L442 P472 I476 S477 G478	P439-F474 HydrophobicContact CB-CD1 4.32Å; P439-F474 HydrophobicContact CB-CE1 4.07Å; L442-F474 HydrophobicContact CD1-CE1 4.49Å; P472-F474 HydrophobicContact CB-CE2 4.27Å; P472-F474 HydrophobicContact CB-CZ 4.22Å; F474-I476 PolarHBondContact O-N 2.98Å; F474-I476 VanDerWaalsContact O-N 3.11Å; F474-S477 PolarHBondContact O-N 2.9Å; F474-G478 PolarHBondContact N-O 2.92Å; F474-G478 PolarHBondContact O-N 3.3Å; F474-G478 VanDerWaalsContact O-O 3.11Å
475	E	72.6	Confident	89.5	Confident	57 Å²	57	35.5 Å²	35.5	27%	0.266	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.1	-160.1	-72.7	166.5	176.7	0	0	113.6	L410 V411 R440 R473	L410-E475 HydrophobicContact CB-CB 4.03Å; L410-E475 HydrophobicContact CD2-CB 4.08Å; L410-E475 HydrophobicContact CD2-CG 4.31Å; V411-E475 PolarHBondContact N-OE2 3.11Å; R440-E475 IonicContact NH1-OE1 3.82Å; R440-E475 PolarHBondContact NH1-OE1 3.37Å; R440-E475 IonicContact NH1-OE2 3.7Å; R440-E475 PolarHBondContact NH1-OE2 3.23Å; R473-E475 PolarHBondContact O-N 2.71Å
476	I	74.7	Confident	89.5	Confident	7 Å²	7	35.5 Å²	35.5	4%	0.036	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-47.8	173	-59.9	-55.1	0	0	0	113.2	A336 R340 L343 L345 H400 L410 V412 F474	A336-I476 HydrophobicContact CB-CG2 3.77Å; R340-I476 VanDerWaalsContact CD-O 3.32Å; R340-I476 WeakPolarHBondContact CD-O 3.43Å; R340-I476 PolarHBondContact NE-O 3.26Å; L343-I476 HydrophobicContact CD2-CD1 4.27Å; L343-I476 HydrophobicContact CD2-CG2 4.11Å; L345-I476 HydrophobicContact CD2-CD1 4.09Å; H400-I476 HydrophobicContact CB-CD1 4.44Å; L410-I476 HydrophobicContact CB-CD1 4.37Å; V412-I476 HydrophobicContact CB-CG1 4.27Å; V412-I476 HydrophobicContact CG1-CG1 4.34Å; V412-I476 HydrophobicContact CG2-CD1 4.1Å; V412-I476 HydrophobicContact CG2-CG1 4.14Å; F474-I476 PolarHBondContact O-N 2.98Å; F474-I476 VanDerWaalsContact O-N 3.11Å
477	S	75.2	Confident	89.4	Confident	30 Å²	30	34.5 Å²	34.5	21%	0.21	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-49.8	-177.9	-172.6	0	0	0	0	111.3	R340 F474	R340-S477 PolarHBondContact NE-O 3.49Å; R340-S477 VanDerWaalsContact NE-O 3.15Å; R340-S477 PolarHBondContact NH2-O 2.86Å; F474-S477 PolarHBondContact O-N 2.9Å
478	G	79.8	Confident	89.4	Confident	6 Å²	6	31.2 Å²	31.2	6%	0.062	15%	0.15	C	C	.	.			trans	133.2	-148.2	179	0	0	0	0	0	112.8	R473 F474	R473-G478 CarbonylContact C-O 3.5Å; R473-G478 WeakPolarHBondContact CG-O 3.47Å; F474-G478 PolarHBondContact N-O 2.92Å; F474-G478 PolarHBondContact O-N 3.3Å; F474-G478 VanDerWaalsContact O-O 3.11Å
479	L	87.1	Confident	89.2	Confident	83 Å²	83	32 Å²	32	44%	0.435	15%	0.154	S	C	.	.	S	Bend	trans	-80.3	142	163.6	-67	162.9	0	0	0	107.9	R473 G504	R473-L479 HydrophobicContact CB-CD2 4.21Å; R473-L479 HydrophobicContact CG-CD2 3.85Å; R473-L479 HydrophobicContact CG-CG 4.32Å; L479-G504 WeakPolarHBondContact CD1-O 3.49Å
480	P	89.4	Confident	89	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.006	15%	0.152	C	C	.	.			trans	-72.5	163.8	-179.8	30.3	-34.2	0	0	0	111.8	L471 P472 P482 G504 T505 D536 I547	L471-P480 HydrophobicContact CB-CG 4.48Å; P472-P480 WeakPolarHBondContact O-CD 3.49Å; P480-P482 WeakPolarHBondContact O-CD 3.49Å; P480-G504 CarbonylContact O-C 3.42Å; P480-G504 WeakPolarHBondContact O-CA 3.29Å; P480-G504 PolarHBondContact O-N 3.34Å; P480-G504 VanDerWaalsContact O-N 3.09Å; P480-T505 PolarHBondContact O-N 2.92Å; P480-D536 HydrophobicContact CB-CB 4.08Å; P480-D536 VanDerWaalsContact CB-CG 3.47Å; P480-D536 WeakPolarHBondContact CB-OD2 3.47Å; P480-I547 HydrophobicContact CB-CD1 4.13Å; P480-I547 HydrophobicContact CG-CD1 4.46Å
481	D	91.6	Very high	88.6	Confident	30 Å²	30	30.9 Å²	30.9	16%	0.16	15%	0.148	C	C	.	.			trans	-104	67.3	166.9	-79.7	9.6	0	0	0	109.8	I501 I502 R503 G504 D536 G537 A538	D481-I501 HydrophobicContact CB-CG2 3.94Å; D481-I501 WeakPolarHBondContact O-CG2 3.31Å; D481-I502 CarbonylContact C-O 3.6Å; D481-I502 WeakPolarHBondContact CA-O 3.34Å; D481-R503 HydrophobicContact CB-CG 4.37Å; D481-R503 WeakPolarHBondContact OD1-CA 3.24Å; D481-R503 WeakPolarHBondContact OD1-CB 3.4Å; D481-R503 WeakPolarHBondContact OD2-CD 3.45Å; D481-R503 WeakPolarHBondContact OD2-CG 3.46Å; D481-R503 IonicContact OD2-NE 2.75Å; D481-G504 PolarHBondContact OD1-N 3.11Å; D481-D536 PolarHBondContact N-OD1 2.95Å; D481-G537 PolarHBondContact O-N 3.07Å; D481-A538 HydrophobicContact CB-CB 4.14Å
482	P	94.9	Very high	88.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	139.8	-170.7	26.1	-38.3	0	0	0	114.8	L471 P480 I502 T505 P508 F510 V534 I535	L471-P482 HydrophobicContact CD1-CB 3.64Å; L471-P482 HydrophobicContact CD1-CG 3.85Å; P480-P482 WeakPolarHBondContact O-CD 3.49Å; P482-I502 WeakPolarHBondContact CD-O 3.36Å; P482-I502 PolarHBondContact O-N 3.11Å; P482-T505 WeakPolarHBondContact CD-O 3.27Å; P482-T505 HydrophobicContact CG-CG2 4.18Å; P482-P508 HydrophobicContact CB-CG 4.08Å; P482-P508 HydrophobicContact CG-CB 3.71Å; P482-P508 HydrophobicContact CG-CG 3.59Å; P482-F510 HydrophobicContact CB-CZ 4.47Å; P482-V534 HydrophobicContact CB-CG1 4.38Å; P482-I535 CarbonylContact C-O 3.56Å; P482-I535 WeakPolarHBondContact CA-O 3.4Å
483	F	95.7	Very high	88.5	Confident	29 Å²	29	37.7 Å²	37.7	13%	0.127	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	166.8	157.3	69.4	-77.3	0	0	0	110.2	Q498 I501 I535	F483-Q498 HydrophobicContact CD2-CB 4.31Å; F483-I501 HydrophobicContact CB-CB 4.49Å; F483-I501 HydrophobicContact CB-CG1 3.9Å; F483-I501 HydrophobicContact CD1-CG1 3.95Å; F483-I501 HydrophobicContact CG-CG1 4.07Å; F483-I535 HydrophobicContact CD1-CB 4.02Å; F483-I535 HydrophobicContact CD1-CG2 4.35Å; F483-I535 WeakPolarHBondContact CD1-O 3.45Å; F483-I535 HydrophobicContact CD2-CB 4.49Å; F483-I535 HydrophobicContact CE1-CB 3.57Å; F483-I535 HydrophobicContact CE1-CG2 3.47Å; F483-I535 VanDerWaalsContact CE1-CG2 3.47Å; F483-I535 HydrophobicContact CE2-CB 4.1Å; F483-I535 HydrophobicContact CE2-CD1 4.07Å; F483-I535 HydrophobicContact CE2-CG1 4.47Å; F483-I535 HydrophobicContact CE2-CG2 4.43Å; F483-I535 HydrophobicContact CG-CB 4.47Å; F483-I535 HydrophobicContact CZ-CB 3.63Å; F483-I535 HydrophobicContact CZ-CD1 4.04Å; F483-I535 HydrophobicContact CZ-CG1 4.35Å; F483-I535 HydrophobicContact CZ-CG2 3.52Å; F483-I535 PolarHBondContact N-O 2.86Å; F483-I535 PolarHBondContact O-N 2.86Å
484	V	97.3	Very high	89.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.3	178.9	-174.9	0	0	0	0	109.2	I448 I465 I468 I486 Q498 T499 F510 V532 S533 V534	I448-V484 HydrophobicContact CD1-CG1 4.21Å; I448-V484 HydrophobicContact CD1-CG2 4.32Å; I465-V484 HydrophobicContact CD1-CG1 4.3Å; I465-V484 HydrophobicContact CG1-CG1 4.41Å; I465-V484 HydrophobicContact CG2-CG2 4.02Å; I468-V484 HydrophobicContact CD1-CG2 3.88Å; V484-I486 HydrophobicContact CG1-CG1 4.05Å; V484-Q498 CarbonylContact O-C 3.58Å; V484-Q498 VanDerWaalsContact O-CA 3.24Å; V484-Q498 WeakPolarHBondContact O-CA 3.49Å; V484-T499 HydrophobicContact CB-CG2 3.91Å; V484-T499 PolarHBondContact N-OG1 2.91Å; V484-T499 PolarHBondContact O-N 2.87Å; V484-F510 HydrophobicContact CG2-CD2 4.43Å; V484-F510 HydrophobicContact CG2-CE2 3.85Å; V484-F510 HydrophobicContact CG2-CZ 3.99Å; V484-V532 HydrophobicContact CG1-CG1 3.38Å; V484-S533 WeakPolarHBondContact CA-O 3.15Å; V484-V534 HydrophobicContact CG2-CG2 4.33Å
485	R	96.4	Very high	90.1	Very high	84 Å²	84	35.5 Å²	35.5	32%	0.317	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.6	168.7	-174.4	173.7	70.4	-157	0.1	108.5	T496 S533 I535	R485-T496 HydrophobicContact CG-CG2 3.61Å; R485-S533 PolarHBondContact N-O 3.03Å; R485-S533 PolarHBondContact O-N 2.88Å; R485-I535 HydrophobicContact CB-CD1 3.64Å; R485-I535 HydrophobicContact CB-CG1 4.4Å; R485-I535 HydrophobicContact CG-CD1 4.46Å
486	I	97.5	Very high	91.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115	-177.4	-51.1	176	0	0	0	107.1	V463 I465 V484 T496 K497 V514 F516 L530 V532	V463-I486 HydrophobicContact CG1-CD1 4.21Å; I465-I486 HydrophobicContact CD1-CD1 3.83Å; I465-I486 HydrophobicContact CD1-CG1 4.5Å; I465-I486 HydrophobicContact CG1-CD1 3.77Å; V484-I486 HydrophobicContact CG1-CG1 4.05Å; I486-T496 CarbonylContact O-C 3.56Å; I486-T496 WeakPolarHBondContact O-CA 3.46Å; I486-K497 PolarHBondContact N-O 2.88Å; I486-K497 PolarHBondContact O-N 2.86Å; I486-V514 HydrophobicContact CD1-CB 4Å; I486-V514 HydrophobicContact CD1-CG1 4.3Å; I486-V514 HydrophobicContact CD1-CG2 3.9Å; I486-F516 HydrophobicContact CB-CE2 4.4Å; I486-F516 HydrophobicContact CB-CZ 4.03Å; I486-F516 HydrophobicContact CG2-CE2 3.68Å; I486-F516 HydrophobicContact CG2-CZ 3.65Å; I486-L530 HydrophobicContact CG2-CD1 3.45Å; I486-L530 VanDerWaalsContact CG2-CD1 3.45Å; I486-V532 HydrophobicContact CG2-CG2 4.46Å
487	T	96.9	Very high	92.4	Very high	14 Å²	14	40.4 Å²	40.4	9%	0.086	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.5	-177.4	-66.8	0	0	0	0	108.9	V494 Q495 T496 L531	T487-V494 HydrophobicContact CG2-CG1 3.62Å; T487-Q495 WeakPolarHBondContact CA-O 3.24Å; T487-T496 WeakPolarHBondContact CG2-OG1 3.01Å; T487-T496 WeakPolarHBondContact OG1-CG2 3.34Å; T487-T496 PolarHBondContact OG1-OG1 2.99Å; T487-L531 PolarHBondContact N-O 2.84Å; T487-L531 PolarHBondContact O-N 2.9Å
488	L	96.7	Very high	93.4	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.1	176.5	-176.1	71.2	0	0	0	108.9	L461 V494 Q495 F516 I518 M528 K529 L530	L461-L488 HydrophobicContact CD2-CD1 3.76Å; L461-L488 HydrophobicContact CD2-CD2 4.16Å; L488-V494 CarbonylContact O-C 3.6Å; L488-V494 WeakPolarHBondContact O-CA 3.49Å; L488-Q495 PolarHBondContact N-O 2.65Å; L488-Q495 PolarHBondContact O-N 2.86Å; L488-F516 HydrophobicContact CB-CD1 3.95Å; L488-F516 HydrophobicContact CB-CE1 4.05Å; L488-F516 HydrophobicContact CB-CG 4.29Å; L488-F516 HydrophobicContact CB-CZ 4.47Å; L488-F516 HydrophobicContact CD2-CB 3.54Å; L488-F516 HydrophobicContact CD2-CD1 4.02Å; L488-F516 HydrophobicContact CD2-CD2 4.43Å; L488-F516 HydrophobicContact CD2-CG 3.76Å; L488-I518 HydrophobicContact CD2-CG2 3.78Å; L488-M528 HydrophobicContact CD1-CG 3.56Å; L488-M528 HydrophobicContact CD1-SD 3.85Å; L488-M528 HydrophobicContact CD2-SD 4.45Å; L488-M528 HydrophobicContact CG-CG 4.36Å; L488-K529 CarbonylContact C-O 3.55Å; L488-K529 WeakPolarHBondContact CA-O 3.46Å; L488-L530 HydrophobicContact CB-CD1 4.42Å; L488-L530 HydrophobicContact CD1-CB 4.13Å; L488-L530 HydrophobicContact CD1-CD1 4.1Å
489	D	94.8	Very high	94.2	Very high	18 Å²	18	45.2 Å²	45.2	10%	0.096	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.3	166.4	167.7	25.6	0	0	0	108.6	G492 V494 M528 K529	D489-G492 WeakPolarHBondContact OD1-CA 3.19Å; D489-G492 PolarHBondContact OD1-N 3.28Å; D489-V494 HydrophobicContact CB-CG2 4.29Å; D489-M528 CarbonylContact O-C 3.38Å; D489-M528 WeakPolarHBondContact O-CA 3.5Å; D489-K529 HydrophobicContact CB-CB 4.3Å; D489-K529 PolarHBondContact N-O 3.27Å; D489-K529 PolarHBondContact O-N 2.84Å; D489-K529 IonicContact OD2-NZ 2.73Å
490	Q	92.8	Very high	94.6	Very high	15 Å²	15	46.7 Å²	46.7	7%	0.07	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	101.5	169.8	-173.4	167	49.4	0	0	108.8	G492 V493 D524 M528	Q490-G492 VanDerWaalsContact C-N 3.27Å; Q490-G492 PolarHBondContact O-N 3.26Å; Q490-V493 PolarHBondContact N-O 2.87Å; Q490-V493 WeakPolarHBondContact O-CB 3.44Å; Q490-V493 PolarHBondContact O-N 2.72Å; Q490-D524 HydrophobicContact CG-CB 4.2Å; Q490-D524 WeakPolarHBondContact CG-O 3.44Å; Q490-D524 PolarHBondContact NE2-O 2.85Å; Q490-M528 HydrophobicContact CB-CG 4.4Å
491	N	87.1	Confident	94.9	Very high	84 Å²	84	50.8 Å²	50.8	45%	0.449	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	40.2	-177.1	-59	-12.2	0	0	0	113.6	V493 D524 N527	N491-V493 VanDerWaalsContact C-N 3.31Å; N491-V493 PolarHBondContact O-N 3.07Å; N491-D524 PolarHBondContact ND2-OD1 3.2Å; N491-N527 VanDerWaalsContact OD1-CB 3.23Å; N491-N527 WeakPolarHBondContact OD1-CB 3.45Å
492	G	87.5	Confident	95.1	Very high	58 Å²	58	51 Å²	51	60%	0.598	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-7.2	-177.8	0	0	0	0	0	114.7	D489 Q490 V494	D489-G492 WeakPolarHBondContact OD1-CA 3.19Å; D489-G492 PolarHBondContact OD1-N 3.28Å; Q490-G492 VanDerWaalsContact C-N 3.27Å; Q490-G492 PolarHBondContact O-N 3.26Å; G492-V494 PolarHBondContact O-N 3.26Å
493	V	92.2	Very high	95	Very high	96 Å²	96	60.6 Å²	60.6	58%	0.582	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	92.2	170.4	-175.7	0	0	0	0	108.8	Q490 N491	Q490-V493 PolarHBondContact N-O 2.87Å; Q490-V493 WeakPolarHBondContact O-CB 3.44Å; Q490-V493 PolarHBondContact O-N 2.72Å; N491-V493 VanDerWaalsContact C-N 3.31Å; N491-V493 PolarHBondContact O-N 3.07Å
494	V	95.5	Very high	94.8	Very high	84 Å²	84	61 Å²	61	51%	0.509	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.4	-177.4	-174.5	0	0	0	0	111.7	T487 L488 D489 G492	T487-V494 HydrophobicContact CG2-CG1 3.62Å; L488-V494 CarbonylContact O-C 3.6Å; L488-V494 WeakPolarHBondContact O-CA 3.49Å; D489-V494 HydrophobicContact CB-CG2 4.29Å; G492-V494 PolarHBondContact O-N 3.26Å
495	Q	96.9	Very high	94.6	Very high	49 Å²	49	62.7 Å²	62.7	23%	0.229	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.8	170.5	-71.7	171.1	69.2	0	0	110	T487 L488 F516 L517	T487-Q495 WeakPolarHBondContact CA-O 3.24Å; L488-Q495 PolarHBondContact N-O 2.65Å; L488-Q495 PolarHBondContact O-N 2.86Å; Q495-F516 HydrophobicContact CB-CD1 3.72Å; Q495-F516 HydrophobicContact CB-CE1 3.98Å; Q495-F516 WeakPolarHBondContact O-CE1 3.37Å; Q495-L517 PolarHBondContact NE2-O 3.16Å
496	T	97.1	Very high	94.5	Very high	76 Å²	76	59.5 Å²	59.5	47%	0.466	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.7	175.6	-65.6	0	0	0	0	111.4	R485 I486 T487	R485-T496 HydrophobicContact CG-CG2 3.61Å; I486-T496 CarbonylContact O-C 3.56Å; I486-T496 WeakPolarHBondContact O-CA 3.46Å; T487-T496 WeakPolarHBondContact CG2-OG1 3.01Å; T487-T496 WeakPolarHBondContact OG1-CG2 3.34Å; T487-T496 PolarHBondContact OG1-OG1 2.99Å
497	K	97.3	Very high	94.5	Very high	91 Å²	91	63.4 Å²	63.4	40%	0.396	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	165.4	175.2	-64.3	-172	-179.1	-170.5	0	109.7	I486 V514 M515 F516	I486-K497 PolarHBondContact N-O 2.88Å; I486-K497 PolarHBondContact O-N 2.86Å; K497-V514 HydrophobicContact CB-CG1 3.52Å; K497-V514 HydrophobicContact CD-CG1 3.67Å; K497-V514 HydrophobicContact CG-CG1 4.15Å; K497-M515 PolarHBondContact NZ-O 2.77Å; K497-F516 HydrophobicContact CB-CE1 4.14Å; K497-F516 HydrophobicContact CB-CZ 3.96Å; K497-F516 HydrophobicContact CD-CD1 4.24Å; K497-F516 HydrophobicContact CD-CE1 3.91Å; K497-F516 HydrophobicContact CD-CZ 4.22Å; K497-F516 HydrophobicContact CG-CE1 3.78Å; K497-F516 HydrophobicContact CG-CZ 4.1Å
498	Q	96.1	Very high	94.6	Very high	128 Å²	128	62.8 Å²	62.8	60%	0.598	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146	154.2	-176.7	65.1	-170.9	0.5	0	0	112.6	F483 V484	F483-Q498 HydrophobicContact CD2-CB 4.31Å; V484-Q498 CarbonylContact O-C 3.58Å; V484-Q498 VanDerWaalsContact O-CA 3.24Å; V484-Q498 WeakPolarHBondContact O-CA 3.49Å
499	T	97.5	Very high	94.6	Very high	9 Å²	9	66 Å²	66	6%	0.055	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-77.4	173.3	172.3	64.1	0	0	0	0	111.8	I465 V484 F510 E512	I465-T499 HydrophobicContact CB-CG2 4.25Å; I465-T499 HydrophobicContact CG1-CG2 4.07Å; V484-T499 HydrophobicContact CB-CG2 3.91Å; V484-T499 PolarHBondContact N-OG1 2.91Å; V484-T499 PolarHBondContact O-N 2.87Å; T499-F510 HydrophobicContact CG2-CD1 4.17Å; T499-F510 HydrophobicContact CG2-CG 4.43Å; T499-F510 WeakPolarHBondContact OG1-CE1 3.41Å; T499-E512 WeakPolarHBondContact CA-OE2 3.42Å; T499-E512 WeakPolarHBondContact CB-OE2 3.45Å; T499-E512 HydrophobicContact CG2-CB 4.47Å
500	R	95.7	Very high	94.8	Very high	114 Å²	114	65.3 Å²	65.3	43%	0.43	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-59.4	157.3	158.8	75.2	-176.9	178.4	-99	-2	111.3	I502 V509 F510 E512	R500-I502 HydrophobicContact CG-CG1 4.11Å; R500-V509 PolarHBondContact NH2-O 2.96Å; R500-F510 VanDerWaalsContact CZ-O 3.27Å; R500-F510 PolarHBondContact NH1-O 3.48Å; R500-F510 PolarHBondContact NH2-O 2.92Å; R500-F510 WeakPolarHBondContact O-CE1 3.45Å; R500-E512 WeakPolarHBondContact CD-OE1 3.34Å; R500-E512 WeakPolarHBondContact CG-OE1 3.46Å; R500-E512 IonicContact CZ-OE1 3.59Å; R500-E512 PolarHBondContact N-OE2 2.63Å; R500-E512 IonicContact NE-OE1 2.77Å; R500-E512 VanDerWaalsContact NH1-CD 3.3Å; R500-E512 VanDerWaalsContact NH1-CG 3.3Å; R500-E512 IonicContact NH1-OE1 3.6Å; R500-E512 PolarHBondContact NH1-OE1 3.15Å
501	I	94.9	Very high	95	Very high	88 Å²	88	72.4 Å²	72.4	45%	0.451	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-82.1	132.8	166.7	-61.3	167.9	0	0	0	108.8	D481 F483 R503	D481-I501 HydrophobicContact CB-CG2 3.94Å; D481-I501 WeakPolarHBondContact O-CG2 3.31Å; F483-I501 HydrophobicContact CB-CB 4.49Å; F483-I501 HydrophobicContact CB-CG1 3.9Å; F483-I501 HydrophobicContact CD1-CG1 3.95Å; F483-I501 HydrophobicContact CG-CG1 4.07Å; I501-R503 HydrophobicContact CG2-CG 4.28Å
502	I	95.9	Very high	95.5	Very high	34 Å²	34	70.5 Å²	70.5	17%	0.174	37%	0.37	C	S	.	.			trans	-113.9	115.7	172	-57.3	-178	0	0	0	107.9	D481 P482 R500 T505 P508 V509 F510	D481-I502 CarbonylContact C-O 3.6Å; D481-I502 WeakPolarHBondContact CA-O 3.34Å; P482-I502 WeakPolarHBondContact CD-O 3.36Å; P482-I502 PolarHBondContact O-N 3.11Å; R500-I502 HydrophobicContact CG-CG1 4.11Å; I502-T505 HydrophobicContact CB-CG2 4.41Å; I502-T505 HydrophobicContact CG2-CG2 3.7Å; I502-P508 HydrophobicContact CB-CB 4.23Å; I502-P508 HydrophobicContact CD1-CB 4.13Å; I502-P508 HydrophobicContact CG2-CB 4.43Å; I502-V509 VanDerWaalsContact CD1-O 3.23Å; I502-V509 WeakPolarHBondContact CD1-O 3.48Å; I502-F510 HydrophobicContact CB-CE1 4.48Å; I502-F510 HydrophobicContact CD1-CD1 3.51Å; I502-F510 HydrophobicContact CD1-CE1 3.69Å; I502-F510 HydrophobicContact CD1-CG 3.98Å; I502-F510 HydrophobicContact CD1-CZ 4.32Å; I502-F510 HydrophobicContact CG1-CD1 3.97Å; I502-F510 HydrophobicContact CG1-CE1 3.79Å
503	R	93	Very high	96	Very high	202 Å²	202	71.1 Å²	71.1	76%	0.762	37%	0.369	S	S	*	.			trans	-81.4	147.2	-169.4	-58.8	-160.4	175.9	165.8	-0.3	114.2	D481 I501 T505	D481-R503 HydrophobicContact CB-CG 4.37Å; D481-R503 WeakPolarHBondContact OD1-CA 3.24Å; D481-R503 WeakPolarHBondContact OD1-CB 3.4Å; D481-R503 WeakPolarHBondContact OD2-CD 3.45Å; D481-R503 WeakPolarHBondContact OD2-CG 3.46Å; D481-R503 IonicContact OD2-NE 2.75Å; I501-R503 HydrophobicContact CG2-CG 4.28Å; R503-T505 PolarHBondContact O-N 2.76Å
504	G	90.9	Very high	96.2	Very high	38 Å²	38	67.3 Å²	67.3	39%	0.392	35%	0.346	S	S	.	.	S	Bend	trans	59	42.8	166.4	0	0	0	0	0	115.3	L479 P480 D481	L479-G504 WeakPolarHBondContact CD1-O 3.49Å; P480-G504 CarbonylContact O-C 3.42Å; P480-G504 WeakPolarHBondContact O-CA 3.29Å; P480-G504 PolarHBondContact O-N 3.34Å; P480-G504 VanDerWaalsContact O-N 3.09Å; D481-G504 PolarHBondContact OD1-N 3.11Å
505	T	94.7	Very high	96.3	Very high	34 Å²	34	67.9 Å²	67.9	21%	0.209	34%	0.344	C	S	.	.			trans	-144.4	133.8	-177.1	-175.1	0	0	0	0	114.7	P480 P482 I502 R503 N507 P508	P480-T505 PolarHBondContact O-N 2.92Å; P482-T505 WeakPolarHBondContact CD-O 3.27Å; P482-T505 HydrophobicContact CG-CG2 4.18Å; I502-T505 HydrophobicContact CB-CG2 4.41Å; I502-T505 HydrophobicContact CG2-CG2 3.7Å; R503-T505 PolarHBondContact O-N 2.76Å; T505-N507 VanDerWaalsContact C-N 3.3Å; T505-N507 PolarHBondContact OG1-N 3.47Å; T505-N507 PolarHBondContact OG1-O 2.93Å; T505-P508 HydrophobicContact CG2-CB 3.88Å
506	S	94.4	Very high	96.3	Very high	18 Å²	18	65.6 Å²	65.6	13%	0.126	33%	0.333	C	S	.	.	S	Bend	trans	-80.1	-9.4	167	-73.8	0	0	0	0	113.6	L471	L471-S506 WeakPolarHBondContact CB-O 3.44Å; L471-S506 PolarHBondContact N-O 3.15Å; L471-S506 WeakPolarHBondContact O-CB 3.43Å; L471-S506 PolarHBondContact O-OG 3.15Å
507	N	97.4	Very high	96.3	Very high	81 Å²	81	68.1 Å²	68.1	43%	0.433	34%	0.343	S	S	.	.	S	Bend	trans	-132.7	66.6	-176.1	-62.2	-70.3	0	0	0	110.9	I468 D469 D470 T505	I468-N507 CarbonylContact O-C 3.55Å; I468-N507 VanDerWaalsContact O-CA 3.29Å; I468-N507 WeakPolarHBondContact O-CA 3.22Å; D469-N507 WeakPolarHBondContact CA-OD1 3.14Å; D470-N507 PolarHBondContact N-OD1 2.87Å; T505-N507 VanDerWaalsContact C-N 3.3Å; T505-N507 PolarHBondContact OG1-N 3.47Å; T505-N507 PolarHBondContact OG1-O 2.93Å
508	P	97.5	Very high	96.2	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.006	33%	0.325	C	S	.	.			trans	-70.9	141.1	-177.7	30.5	-37.9	0	0	0	112.6	K467 I468 L471 P482 I502 T505 F510	K467-P508 CarbonylContact C-O 3.5Å; K467-P508 WeakPolarHBondContact CA-O 3.4Å; K467-P508 WeakPolarHBondContact CB-O 3.17Å; I468-P508 HydrophobicContact CB-CG 3.83Å; I468-P508 HydrophobicContact CD1-CG 4.04Å; I468-P508 HydrophobicContact CG1-CG 4.11Å; I468-P508 PolarHBondContact N-O 3.26Å; I468-P508 WeakPolarHBondContact O-CD 3.46Å; L471-P508 HydrophobicContact CD1-CG 3.87Å; P482-P508 HydrophobicContact CB-CG 4.08Å; P482-P508 HydrophobicContact CG-CB 3.71Å; P482-P508 HydrophobicContact CG-CG 3.59Å; I502-P508 HydrophobicContact CB-CB 4.23Å; I502-P508 HydrophobicContact CD1-CB 4.13Å; I502-P508 HydrophobicContact CG2-CB 4.43Å; T505-P508 HydrophobicContact CG2-CB 3.88Å; P508-F510 HydrophobicContact CB-CD2 4.32Å; P508-F510 HydrophobicContact CB-CE1 4.48Å; P508-F510 HydrophobicContact CB-CE2 3.6Å; P508-F510 HydrophobicContact CB-CZ 3.69Å; P508-F510 HydrophobicContact CG-CE2 3.61Å; P508-F510 HydrophobicContact CG-CZ 3.94Å
509	V	98.5	Very high	96	Very high	69 Å²	69	58.9 Å²	58.9	42%	0.418	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	101.2	176.3	179.5	0	0	0	0	108.9	K467 R500 I502 K511	K467-V509 HydrophobicContact CB-CB 4.5Å; K467-V509 HydrophobicContact CB-CG2 4.07Å; R500-V509 PolarHBondContact NH2-O 2.96Å; I502-V509 VanDerWaalsContact CD1-O 3.23Å; I502-V509 WeakPolarHBondContact CD1-O 3.48Å; V509-K511 HydrophobicContact CG1-CD 4.19Å; V509-K511 HydrophobicContact CG1-CG 3.97Å
510	F	98.1	Very high	95.6	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.009	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-59.7	-176.2	-60.5	-83.2	0	0	0	111.1	I465 A466 I468 P482 V484 T499 R500 I502 P508 E512	I465-F510 HydrophobicContact CB-CB 4.37Å; I465-F510 HydrophobicContact CG2-CB 4.07Å; I465-F510 HydrophobicContact CG2-CD2 3.61Å; I465-F510 HydrophobicContact CG2-CE2 4.35Å; I465-F510 HydrophobicContact CG2-CG 4.04Å; I465-F510 WeakPolarHBondContact O-CB 3.5Å; A466-F510 PolarHBondContact O-N 3.31Å; I468-F510 HydrophobicContact CD1-CE2 3.8Å; I468-F510 HydrophobicContact CD1-CZ 4.49Å; I468-F510 HydrophobicContact CG1-CE2 4.05Å; P482-F510 HydrophobicContact CB-CZ 4.47Å; V484-F510 HydrophobicContact CG2-CD2 4.43Å; V484-F510 HydrophobicContact CG2-CE2 3.85Å; V484-F510 HydrophobicContact CG2-CZ 3.99Å; T499-F510 HydrophobicContact CG2-CD1 4.17Å; T499-F510 HydrophobicContact CG2-CG 4.43Å; T499-F510 WeakPolarHBondContact OG1-CE1 3.41Å; R500-F510 VanDerWaalsContact CZ-O 3.27Å; R500-F510 PolarHBondContact NH1-O 3.48Å; R500-F510 PolarHBondContact NH2-O 2.92Å; R500-F510 WeakPolarHBondContact O-CE1 3.45Å; I502-F510 HydrophobicContact CB-CE1 4.48Å; I502-F510 HydrophobicContact CD1-CD1 3.51Å; I502-F510 HydrophobicContact CD1-CE1 3.69Å; I502-F510 HydrophobicContact CD1-CG 3.98Å; I502-F510 HydrophobicContact CD1-CZ 4.32Å; I502-F510 HydrophobicContact CG1-CD1 3.97Å; I502-F510 HydrophobicContact CG1-CE1 3.79Å; P508-F510 HydrophobicContact CB-CD2 4.32Å; P508-F510 HydrophobicContact CB-CE1 4.48Å; P508-F510 HydrophobicContact CB-CE2 3.6Å; P508-F510 HydrophobicContact CB-CZ 3.69Å; P508-F510 HydrophobicContact CG-CE2 3.61Å; P508-F510 HydrophobicContact CG-CZ 3.94Å; F510-E512 VanDerWaalsContact C-N 3.25Å; F510-E512 HydrophobicContact CB-CB 4.43Å; F510-E512 HydrophobicContact CB-CG 4.24Å
511	K	97.3	Very high	95.4	Very high	165 Å²	165	61.8 Å²	61.8	72%	0.717	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.2	44	-168.6	-55.7	175.6	179.6	177.7	0	111.5	I465 A466 V509	I465-K511 VanDerWaalsContact O-CA 3.29Å; I465-K511 WeakPolarHBondContact O-CA 3.11Å; I465-K511 PolarHBondContact O-N 2.79Å; A466-K511 PolarHBondContact O-N 3.08Å; A466-K511 VanDerWaalsContact O-N 3.11Å; V509-K511 HydrophobicContact CG1-CD 4.19Å; V509-K511 HydrophobicContact CG1-CG 3.97Å
512	E	98.1	Very high	95	Very high	44 Å²	44	60.9 Å²	60.9	21%	0.206	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.7	-176.8	-65.2	-166.7	157.6	0	0	111.2	N464 I465 T499 R500 F510	N464-E512 WeakPolarHBondContact CA-O 3.17Å; I465-E512 PolarHBondContact N-O 3.33Å; I465-E512 PolarHBondContact O-N 3.4Å; I465-E512 VanDerWaalsContact O-N 3.1Å; T499-E512 WeakPolarHBondContact CA-OE2 3.42Å; T499-E512 WeakPolarHBondContact CB-OE2 3.45Å; T499-E512 HydrophobicContact CG2-CB 4.47Å; R500-E512 WeakPolarHBondContact CD-OE1 3.34Å; R500-E512 WeakPolarHBondContact CG-OE1 3.46Å; R500-E512 IonicContact CZ-OE1 3.59Å; R500-E512 PolarHBondContact N-OE2 2.63Å; R500-E512 IonicContact NE-OE1 2.77Å; R500-E512 VanDerWaalsContact NH1-CD 3.3Å; R500-E512 VanDerWaalsContact NH1-CG 3.3Å; R500-E512 IonicContact NH1-OE1 3.6Å; R500-E512 PolarHBondContact NH1-OE1 3.15Å; F510-E512 VanDerWaalsContact C-N 3.25Å; F510-E512 HydrophobicContact CB-CB 4.43Å; F510-E512 HydrophobicContact CB-CG 4.24Å
513	A	97.4	Very high	94.6	Very high	70 Å²	70	65.6 Å²	65.6	58%	0.579	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.6	176.5	0	0	0	0	0	110.9	T462 N464	T462-A513 HydrophobicContact CG2-CB 4.33Å; N464-A513 HydrophobicContact CB-CB 4.45Å
514	V	97	Very high	94.5	Very high	16 Å²	16	56.8 Å²	56.8	10%	0.097	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.9	-179	178.8	0	0	0	0	108.4	V463 I486 K497 F516	V463-V514 PolarHBondContact N-O 3.45Å; V463-V514 PolarHBondContact O-N 2.75Å; I486-V514 HydrophobicContact CD1-CB 4Å; I486-V514 HydrophobicContact CD1-CG1 4.3Å; I486-V514 HydrophobicContact CD1-CG2 3.9Å; K497-V514 HydrophobicContact CB-CG1 3.52Å; K497-V514 HydrophobicContact CD-CG1 3.67Å; K497-V514 HydrophobicContact CG-CG1 4.15Å; V514-F516 HydrophobicContact CG1-CD2 4.41Å; V514-F516 HydrophobicContact CG1-CE2 3.68Å; V514-F516 HydrophobicContact CG1-CZ 3.89Å
515	M	97.3	Very high	94.5	Very high	96 Å²	96	55.8 Å²	55.8	47%	0.473	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.1	-178	-61.7	176.6	-70.7	0	0	111	R460 L461 T462 K497	R460-M515 HydrophobicContact CG-CB 4.45Å; R460-M515 PolarHBondContact NH1-SD 2.84Å; L461-M515 CarbonylContact O-C 3.28Å; L461-M515 WeakPolarHBondContact O-CA 3.32Å; T462-M515 HydrophobicContact CG2-CG 4.06Å; K497-M515 PolarHBondContact NZ-O 2.77Å
516	F	97.3	Very high	94.2	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.4	172	-62.8	-89.6	0	0	0	110.2	R460 L461 V463 I486 L488 Q495 K497 V514	R460-F516 WeakPolarHBondContact CA-O 3.49Å; L461-F516 HydrophobicContact CB-CB 4.44Å; L461-F516 PolarHBondContact N-O 2.85Å; L461-F516 PolarHBondContact O-N 3.06Å; V463-F516 HydrophobicContact CG2-CE2 4.41Å; I486-F516 HydrophobicContact CB-CE2 4.4Å; I486-F516 HydrophobicContact CB-CZ 4.03Å; I486-F516 HydrophobicContact CG2-CE2 3.68Å; I486-F516 HydrophobicContact CG2-CZ 3.65Å; L488-F516 HydrophobicContact CB-CD1 3.95Å; L488-F516 HydrophobicContact CB-CE1 4.05Å; L488-F516 HydrophobicContact CB-CG 4.29Å; L488-F516 HydrophobicContact CB-CZ 4.47Å; L488-F516 HydrophobicContact CD2-CB 3.54Å; L488-F516 HydrophobicContact CD2-CD1 4.02Å; L488-F516 HydrophobicContact CD2-CD2 4.43Å; L488-F516 HydrophobicContact CD2-CG 3.76Å; Q495-F516 HydrophobicContact CB-CD1 3.72Å; Q495-F516 HydrophobicContact CB-CE1 3.98Å; Q495-F516 WeakPolarHBondContact O-CE1 3.37Å; K497-F516 HydrophobicContact CB-CE1 4.14Å; K497-F516 HydrophobicContact CB-CZ 3.96Å; K497-F516 HydrophobicContact CD-CD1 4.24Å; K497-F516 HydrophobicContact CD-CE1 3.91Å; K497-F516 HydrophobicContact CD-CZ 4.22Å; K497-F516 HydrophobicContact CG-CE1 3.78Å; K497-F516 HydrophobicContact CG-CZ 4.1Å; V514-F516 HydrophobicContact CG1-CD2 4.41Å; V514-F516 HydrophobicContact CG1-CE2 3.68Å; V514-F516 HydrophobicContact CG1-CZ 3.89Å
517	L	96	Very high	94	Very high	129 Å²	129	63.4 Å²	63.4	68%	0.675	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	137	169.1	-65.7	176.4	0	0	0	108.3	R459 Q495	R459-L517 WeakPolarHBondContact O-CA 3.28Å; Q495-L517 PolarHBondContact NE2-O 3.16Å
518	I	95.1	Very high	93.8	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.015	32%	0.321	C	S	.	.			trans	-132.2	164.1	-172.7	54.5	169.3	0	0	0	112.1	L454 R459 L461 L488 L525 M528	L454-I518 HydrophobicContact CD1-CD1 3.28Å; R459-I518 VanDerWaalsContact C-CG1 3.4Å; R459-I518 PolarHBondContact NE-O 2.78Å; R459-I518 PolarHBondContact NH2-O 2.74Å; R459-I518 VanDerWaalsContact O-CG1 3.31Å; R459-I518 WeakPolarHBondContact O-CG1 3.22Å; R459-I518 PolarHBondContact O-N 3.44Å; L461-I518 HydrophobicContact CB-CD1 4.32Å; L461-I518 HydrophobicContact CB-CG2 4.09Å; L488-I518 HydrophobicContact CD2-CG2 3.78Å; I518-L525 HydrophobicContact CD1-CD2 4.01Å; I518-M528 HydrophobicContact CG2-SD 4.04Å
519	S	93	Very high	93.7	Very high	22 Å²	22	63.3 Å²	63.3	15%	0.154	34%	0.337	C	S	.	.			trans	-74.5	148.3	157.9	-170.5	0	0	0	0	110.6	K521 D524	S519-K521 PolarHBondContact OG-N 2.95Å; S519-D524 WeakPolarHBondContact CB-OD2 3.42Å; S519-D524 PolarHBondContact OG-OD2 2.74Å
520	S	88.3	Confident	93.6	Very high	61 Å²	61	60 Å²	60	43%	0.427	32%	0.317	S	S	.	.			trans	-103.6	5.3	177.7	53.4	0	0	0	0	113.4
521	K	90.7	Very high	93.5	Very high	124 Å²	124	60.5 Å²	60.5	54%	0.539	32%	0.32	S	S	.	.	S	Bend	trans	-68.8	146	173.2	-57.3	-173.1	-165.7	170.1	0	110.5	S519 E523 D524 L525	S519-K521 PolarHBondContact OG-N 2.95Å; K521-E523 PolarHBondContact O-N 3.49Å; K521-D524 HydrophobicContact CB-CB 4.16Å; K521-D524 WeakPolarHBondContact CD-OD2 3.09Å; K521-D524 PolarHBondContact O-N 3.45Å; K521-L525 VanDerWaalsContact O-CG 3.29Å; K521-L525 WeakPolarHBondContact O-CG 3.45Å; K521-L525 PolarHBondContact O-N 2.77Å; K521-L525 VanDerWaalsContact O-N 3.12Å
522	A	87.1	Confident	93.5	Very high	68 Å²	68	52.6 Å²	52.6	56%	0.562	29%	0.286	S	S	*	.	H	α-helix	trans	-61.9	-43.9	-179.6	0	0	0	0	0	112.9	L525 Q526	A522-L525 PolarHBondContact O-N 3.39Å; A522-Q526 WeakPolarHBondContact O-CG 3.36Å; A522-Q526 PolarHBondContact O-N 3.14Å
523	E	88.5	Confident	93.4	Very high	134 Å²	134	50.6 Å²	50.6	63%	0.626	28%	0.276	S	S	*	.	H	α-helix	trans	-57.7	-53.6	176.1	-67.1	152	-150.8	0	0	111.5	K521 L525 Q526 N527	K521-E523 PolarHBondContact O-N 3.49Å; E523-L525 PolarHBondContact O-N 3.21Å; E523-L525 VanDerWaalsContact O-N 3.15Å; E523-Q526 PolarHBondContact O-N 2.97Å; E523-N527 PolarHBondContact O-N 3.16Å
524	D	90.4	Very high	93.3	Very high	16 Å²	16	47.2 Å²	47.2	9%	0.086	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-26.7	179.1	-54.7	-7.4	0	0	0	112.4	Q490 N491 S519 K521 M528	Q490-D524 HydrophobicContact CG-CB 4.2Å; Q490-D524 WeakPolarHBondContact CG-O 3.44Å; Q490-D524 PolarHBondContact NE2-O 2.85Å; N491-D524 PolarHBondContact ND2-OD1 3.2Å; S519-D524 WeakPolarHBondContact CB-OD2 3.42Å; S519-D524 PolarHBondContact OG-OD2 2.74Å; K521-D524 HydrophobicContact CB-CB 4.16Å; K521-D524 WeakPolarHBondContact CD-OD2 3.09Å; K521-D524 PolarHBondContact O-N 3.45Å; D524-M528 WeakPolarHBondContact O-CB 3.48Å
525	L	90.9	Very high	93.1	Very high	17 Å²	17	46.6 Å²	46.6	9%	0.089	25%	0.245	C	C	.	.	H	α-helix	trans	-82	-30.7	175.3	-70.4	170.1	0	0	0	112.9	L454 T456 I518 K521 A522 E523 M528 L569	L454-L525 HydrophobicContact CD1-CD2 3.97Å; L454-L525 HydrophobicContact CD2-CD2 4.26Å; T456-L525 HydrophobicContact CG2-CD1 4.15Å; I518-L525 HydrophobicContact CD1-CD2 4.01Å; K521-L525 VanDerWaalsContact O-CG 3.29Å; K521-L525 WeakPolarHBondContact O-CG 3.45Å; K521-L525 PolarHBondContact O-N 2.77Å; K521-L525 VanDerWaalsContact O-N 3.12Å; A522-L525 PolarHBondContact O-N 3.39Å; E523-L525 PolarHBondContact O-N 3.21Å; E523-L525 VanDerWaalsContact O-N 3.15Å; L525-M528 HydrophobicContact CD2-CE 4.29Å; L525-L569 HydrophobicContact CB-CD2 4.3Å
526	Q	88.1	Confident	92.7	Very high	116 Å²	116	42.3 Å²	42.3	54%	0.542	22%	0.223	S	C	.	.	H	α-helix	trans	-75.1	-35.3	177.1	-71.9	179.1	18.4	0	0	112.5	A522 E523 N554	A522-Q526 WeakPolarHBondContact O-CG 3.36Å; A522-Q526 PolarHBondContact O-N 3.14Å; E523-Q526 PolarHBondContact O-N 2.97Å; Q526-N554 PolarHBondContact O-ND2 2.82Å
527	N	89.5	Confident	92.1	Very high	96 Å²	96	43.8 Å²	43.8	51%	0.513	24%	0.239	S	C	.	.	S	Bend	trans	-84.9	-8.4	179.8	-68.5	-16.5	0	0	0	114	N491 E523	N491-N527 VanDerWaalsContact OD1-CB 3.23Å; N491-N527 WeakPolarHBondContact OD1-CB 3.45Å; E523-N527 PolarHBondContact O-N 3.16Å
528	M	93.9	Very high	91.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.22	C	C	.	.			trans	-63.2	139.1	-179	-171	172.8	70.6	0	0	111.4	L461 L488 D489 Q490 I518 D524 L525 W565 M568	L461-M528 HydrophobicContact CD2-CE 4.1Å; L461-M528 HydrophobicContact CD2-SD 4.36Å; L488-M528 HydrophobicContact CD1-CG 3.56Å; L488-M528 HydrophobicContact CD1-SD 3.85Å; L488-M528 HydrophobicContact CD2-SD 4.45Å; L488-M528 HydrophobicContact CG-CG 4.36Å; D489-M528 CarbonylContact O-C 3.38Å; D489-M528 WeakPolarHBondContact O-CA 3.5Å; Q490-M528 HydrophobicContact CB-CG 4.4Å; I518-M528 HydrophobicContact CG2-SD 4.04Å; D524-M528 WeakPolarHBondContact O-CB 3.48Å; L525-M528 HydrophobicContact CD2-CE 4.29Å; M528-W565 HydrophobicContact CB-CH2 4.18Å; M528-W565 HydrophobicContact CB-CZ2 3.92Å; M528-W565 HydrophobicContact CE-CH2 3.43Å; M528-W565 VanDerWaalsContact CE-CH2 3.43Å; M528-W565 HydrophobicContact CE-CZ2 3.76Å; M528-W565 HydrophobicContact CE-CZ3 4.32Å; M528-W565 HydrophobicContact CG-CH2 3.96Å; M528-W565 HydrophobicContact CG-CZ2 4.22Å; M528-W565 WeakPolarHBondContact O-CZ2 3.32Å; M528-W565 HydrophobicContact SD-CH2 4.49Å; M528-M568 HydrophobicContact CE-CE 4.13Å
529	K	94.8	Very high	89.5	Confident	80 Å²	80	39.2 Å²	39.2	35%	0.348	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.4	178.5	-59.8	172.7	-170.5	164.9	0	109.8	L488 D489 L551	L488-K529 CarbonylContact C-O 3.55Å; L488-K529 WeakPolarHBondContact CA-O 3.46Å; D489-K529 HydrophobicContact CB-CB 4.3Å; D489-K529 PolarHBondContact N-O 3.27Å; D489-K529 PolarHBondContact O-N 2.84Å; D489-K529 IonicContact OD2-NZ 2.73Å; K529-L551 HydrophobicContact CB-CD1 4.24Å
530	L	96.4	Very high	87.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	100	178.2	175.9	70.3	0	0	0	109.4	V463 I486 L488 V532 L552 W565	V463-L530 HydrophobicContact CG2-CD1 4.23Å; V463-L530 HydrophobicContact CG2-CD2 3.77Å; I486-L530 HydrophobicContact CG2-CD1 3.45Å; I486-L530 VanDerWaalsContact CG2-CD1 3.45Å; L488-L530 HydrophobicContact CB-CD1 4.42Å; L488-L530 HydrophobicContact CD1-CB 4.13Å; L488-L530 HydrophobicContact CD1-CD1 4.1Å; L530-V532 HydrophobicContact CG-CG2 4.22Å; L530-L552 HydrophobicContact CB-CB 4.04Å; L530-L552 HydrophobicContact CD2-CB 4.24Å; L530-L552 HydrophobicContact CD2-CD1 3.88Å; L530-L552 HydrophobicContact CG-CB 4.39Å; L530-L552 HydrophobicContact CG-CD1 4.45Å; L530-L552 PolarHBondContact N-O 3.42Å; L530-L552 WeakPolarHBondContact O-CB 3.2Å; L530-L552 PolarHBondContact O-N 3.04Å; L530-W565 HydrophobicContact CB-CH2 4.18Å; L530-W565 HydrophobicContact CB-CZ3 3.77Å; L530-W565 HydrophobicContact CD2-CZ3 4.32Å
531	L	96.1	Very high	85.9	Confident	11 Å²	11	44.5 Å²	44.5	6%	0.058	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.2	172.7	-173.5	68.3	0	0	0	110	T487 E549 L551 F589	T487-L531 PolarHBondContact N-O 2.84Å; T487-L531 PolarHBondContact O-N 2.9Å; L531-E549 HydrophobicContact CD1-CB 4.24Å; L531-E549 HydrophobicContact CD1-CG 4.25Å; L531-L551 HydrophobicContact CB-CD1 4.4Å; L531-L551 HydrophobicContact CD1-CB 4.19Å; L531-L551 HydrophobicContact CD1-CD1 4.41Å; L531-F589 HydrophobicContact CD2-CD2 4.29Å; L531-F589 HydrophobicContact CD2-CE2 3.61Å; L531-F589 HydrophobicContact CD2-CZ 4.44Å
532	V	97.2	Very high	83.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	97.7	178.1	-172.8	0	0	0	0	108.5	I448 L450 I465 V484 I486 L530 E549 V550 L552	I448-V532 HydrophobicContact CD1-CG1 3.67Å; L450-V532 HydrophobicContact CD2-CG1 4.35Å; L450-V532 HydrophobicContact CD2-CG2 4.3Å; I465-V532 HydrophobicContact CD1-CG1 4.34Å; V484-V532 HydrophobicContact CG1-CG1 3.38Å; I486-V532 HydrophobicContact CG2-CG2 4.46Å; L530-V532 HydrophobicContact CG-CG2 4.22Å; V532-E549 VanDerWaalsContact O-CA 3.31Å; V532-E549 WeakPolarHBondContact O-CA 3.48Å; V532-V550 HydrophobicContact CB-CG2 3.95Å; V532-V550 PolarHBondContact N-O 2.61Å; V532-V550 PolarHBondContact O-N 3.33Å; V532-L552 HydrophobicContact CG2-CD1 4.25Å
533	S	95.9	Very high	82.4	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.1	-180	-48.7	0	0	0	0	110.4	V484 R485 E549	V484-S533 WeakPolarHBondContact CA-O 3.15Å; R485-S533 PolarHBondContact N-O 3.03Å; R485-S533 PolarHBondContact O-N 2.88Å; S533-E549 PolarHBondContact OG-OE2 3.34Å
534	V	95.8	Very high	80.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.1	172.6	-173.5	0	0	0	0	108.7	I448 I468 L471 P482 V484 V546 I547 G548 L582	I448-V534 HydrophobicContact CD1-CG2 4.17Å; I468-V534 HydrophobicContact CD1-CB 4.27Å; I468-V534 HydrophobicContact CD1-CG1 3.57Å; I468-V534 HydrophobicContact CD1-CG2 3.62Å; L471-V534 HydrophobicContact CD1-CG1 4.23Å; L471-V534 HydrophobicContact CD2-CG1 4.14Å; P482-V534 HydrophobicContact CB-CG1 4.38Å; V484-V534 HydrophobicContact CG2-CG2 4.33Å; V534-V546 CarbonylContact O-C 3.56Å; V534-V546 WeakPolarHBondContact O-CA 3.16Å; V534-I547 HydrophobicContact CG1-CD1 4.13Å; V534-I547 PolarHBondContact O-N 2.91Å; V534-G548 PolarHBondContact N-O 2.93Å; V534-G548 PolarHBondContact O-N 2.79Å; V534-L582 HydrophobicContact CB-CD2 4.43Å; V534-L582 HydrophobicContact CG2-CD1 3.92Å; V534-L582 HydrophobicContact CG2-CD2 3.55Å; V534-L582 HydrophobicContact CG2-CG 4.42Å
535	I	92.6	Very high	80.3	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.4	-168.6	-50	-173	0	0	0	108.8	P482 F483 R485 E545 V546	P482-I535 CarbonylContact C-O 3.56Å; P482-I535 WeakPolarHBondContact CA-O 3.4Å; F483-I535 HydrophobicContact CD1-CB 4.02Å; F483-I535 HydrophobicContact CD1-CG2 4.35Å; F483-I535 WeakPolarHBondContact CD1-O 3.45Å; F483-I535 HydrophobicContact CD2-CB 4.49Å; F483-I535 HydrophobicContact CE1-CB 3.57Å; F483-I535 HydrophobicContact CE1-CG2 3.47Å; F483-I535 VanDerWaalsContact CE1-CG2 3.47Å; F483-I535 HydrophobicContact CE2-CB 4.1Å; F483-I535 HydrophobicContact CE2-CD1 4.07Å; F483-I535 HydrophobicContact CE2-CG1 4.47Å; F483-I535 HydrophobicContact CE2-CG2 4.43Å; F483-I535 HydrophobicContact CG-CB 4.47Å; F483-I535 HydrophobicContact CZ-CB 3.63Å; F483-I535 HydrophobicContact CZ-CD1 4.04Å; F483-I535 HydrophobicContact CZ-CG1 4.35Å; F483-I535 HydrophobicContact CZ-CG2 3.52Å; F483-I535 PolarHBondContact N-O 2.86Å; F483-I535 PolarHBondContact O-N 2.86Å; R485-I535 HydrophobicContact CB-CD1 3.64Å; R485-I535 HydrophobicContact CB-CG1 4.4Å; R485-I535 HydrophobicContact CG-CD1 4.46Å; I535-E545 WeakPolarHBondContact CA-O 3.48Å; I535-E545 HydrophobicContact CG2-CB 3.79Å; I535-E545 VanDerWaalsContact CG2-O 3.26Å; I535-E545 WeakPolarHBondContact CG2-O 3.49Å; I535-V546 HydrophobicContact CD1-CG2 4.47Å; I535-V546 HydrophobicContact CG1-CG2 4.28Å
536	D	89.6	Confident	80.2	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	113.5	174.7	-179.9	3.5	0	0	0	110.2	P480 D481 A538 A539 E545 I547	P480-D536 HydrophobicContact CB-CB 4.08Å; P480-D536 VanDerWaalsContact CB-CG 3.47Å; P480-D536 WeakPolarHBondContact CB-OD2 3.47Å; D481-D536 PolarHBondContact N-OD1 2.95Å; D536-A538 PolarHBondContact O-N 2.74Å; D536-A538 WeakPolarHBondContact OD1-CB 3.35Å; D536-A538 PolarHBondContact OD1-N 2.82Å; D536-A539 HydrophobicContact CB-CB 3.6Å; D536-A539 VanDerWaalsContact O-CB 3.28Å; D536-A539 WeakPolarHBondContact O-CB 3.43Å; D536-A539 PolarHBondContact O-N 2.92Å; D536-E545 PolarHBondContact N-O 2.76Å; D536-I547 HydrophobicContact CB-CD1 3.88Å; D536-I547 HydrophobicContact CB-CG1 3.89Å
537	G	85	Confident	80.3	Confident	32 Å²	32	35.4 Å²	35.4	33%	0.33	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.9	177.2	0	0	0	0	0	114.3	D481	D481-G537 PolarHBondContact O-N 3.07Å
538	A	75.1	Confident	80.4	Confident	33 Å²	33	30.8 Å²	30.8	27%	0.273	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-18.9	171.2	0	0	0	0	0	112	D481 D536 S540	D481-A538 HydrophobicContact CB-CB 4.14Å; D536-A538 PolarHBondContact O-N 2.74Å; D536-A538 WeakPolarHBondContact OD1-CB 3.35Å; D536-A538 PolarHBondContact OD1-N 2.82Å; A538-S540 PolarHBondContact O-N 2.92Å; A538-S540 VanDerWaalsContact O-N 3.16Å
539	A	60.5	Low	80.5	Confident	3 Å²	3	31.7 Å²	31.7	3%	0.025	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-76.5	9.7	-177.2	0	0	0	0	0	114.9	D536 R541 T542	D536-A539 HydrophobicContact CB-CB 3.6Å; D536-A539 VanDerWaalsContact O-CB 3.28Å; D536-A539 WeakPolarHBondContact O-CB 3.43Å; D536-A539 PolarHBondContact O-N 2.92Å; A539-R541 PolarHBondContact O-N 2.81Å; A539-T542 WeakPolarHBondContact CB-OG1 3.42Å; A539-T542 PolarHBondContact O-N 2.86Å; A539-T542 PolarHBondContact O-OG1 2.83Å
540	S	52.8	Low	80.6	Confident	63 Å²	63	28.1 Å²	28.1	44%	0.441	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-62.2	0.8	160.8	-156.9	0	0	0	0	113.1	A538	A538-S540 PolarHBondContact O-N 2.92Å; A538-S540 VanDerWaalsContact O-N 3.16Å
541	R	52.9	Low	80.5	Confident	131 Å²	131	30.8 Å²	30.8	49%	0.494	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-110.5	19.7	169.7	-55.6	177.3	178.9	-132.4	10.4	113.5	D308 N338 L339 A539	D308-R541 WeakPolarHBondContact CB-O 3.41Å; D308-R541 VanDerWaalsContact OD2-C 3.31Å; N338-R541 WeakPolarHBondContact O-CD 3.43Å; N338-R541 PolarHBondContact O-NH1 3.28Å; L339-R541 HydrophobicContact CD2-CB 3.71Å; L339-R541 WeakPolarHBondContact CD2-O 3.35Å; L339-R541 HydrophobicContact CG-CB 4.32Å; L339-R541 PolarHBondContact O-NH1 3.38Å; A539-R541 PolarHBondContact O-N 2.81Å
542	T	48.9	Very low	80.5	Confident	24 Å²	24	30.3 Å²	30.3	15%	0.147	17%	0.172	C	C	.	.	S	Bend	trans	-152.4	143.6	171.4	49.3	0	0	0	0	110.6	D308 L339 A539 N544	D308-T542 VanDerWaalsContact OD2-CA 3.29Å; D308-T542 WeakPolarHBondContact OD2-CA 3.29Å; D308-T542 PolarHBondContact OD2-N 3.4Å; L339-T542 HydrophobicContact CD1-CG2 4.04Å; L339-T542 HydrophobicContact CD2-CG2 4.11Å; A539-T542 WeakPolarHBondContact CB-OG1 3.42Å; A539-T542 PolarHBondContact O-N 2.86Å; A539-T542 PolarHBondContact O-OG1 2.83Å; T542-N544 PolarHBondContact O-N 2.83Å
543	S	55.2	Low	80.4	Confident	41 Å²	41	30.4 Å²	30.4	29%	0.287	17%	0.173	S	C	.	.	S	Bend	trans	-58.3	-6.3	-177.8	57.3	0	0	0	0	117.8
544	N	58.3	Low	80.2	Confident	96 Å²	96	33 Å²	33	51%	0.513	19%	0.186	S	C	.	.			trans	-125.6	76.5	-171.8	-66.4	51.9	0	0	0	109.9	T542 V546	T542-N544 PolarHBondContact O-N 2.83Å; N544-V546 VanDerWaalsContact C-N 3.29Å; N544-V546 PolarHBondContact O-N 2.85Å
545	E	77.1	Confident	79.9	Confident	75 Å²	75	40.3 Å²	40.3	35%	0.35	22%	0.222	S	C	.	.			trans	-62.1	-35.5	-177.8	-55.8	-171.9	145.3	0	0	112.8	I535 D536 I547	I535-E545 WeakPolarHBondContact CA-O 3.48Å; I535-E545 HydrophobicContact CG2-CB 3.79Å; I535-E545 VanDerWaalsContact CG2-O 3.26Å; I535-E545 WeakPolarHBondContact CG2-O 3.49Å; D536-E545 PolarHBondContact N-O 2.76Å; E545-I547 PolarHBondContact O-N 2.81Å
546	V	88.8	Confident	79.7	Confident	36 Å²	36	40.5 Å²	40.5	22%	0.218	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	113.4	-179.3	-174.4	0	0	0	0	110.1	V534 I535 N544 A585	V534-V546 CarbonylContact O-C 3.56Å; V534-V546 WeakPolarHBondContact O-CA 3.16Å; I535-V546 HydrophobicContact CD1-CG2 4.47Å; I535-V546 HydrophobicContact CG1-CG2 4.28Å; N544-V546 VanDerWaalsContact C-N 3.29Å; N544-V546 PolarHBondContact O-N 2.85Å; V546-A585 HydrophobicContact CB-CB 4.21Å; V546-A585 HydrophobicContact CG1-CB 3.98Å
547	I	90	Very high	79.7	Confident	12 Å²	12	47.3 Å²	47.3	6%	0.062	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-39.6	174.8	-46.9	178.9	0	0	0	110.3	L471 P472 P480 V534 D536 E545	L471-I547 HydrophobicContact CD1-CD1 4.34Å; L471-I547 HydrophobicContact CD2-CD1 4.42Å; L471-I547 HydrophobicContact CD2-CG2 4.32Å; P472-I547 HydrophobicContact CB-CG2 4.14Å; P472-I547 HydrophobicContact CG-CG2 3.71Å; P480-I547 HydrophobicContact CB-CD1 4.13Å; P480-I547 HydrophobicContact CG-CD1 4.46Å; V534-I547 HydrophobicContact CG1-CD1 4.13Å; V534-I547 PolarHBondContact O-N 2.91Å; D536-I547 HydrophobicContact CB-CD1 3.88Å; D536-I547 HydrophobicContact CB-CG1 3.89Å; E545-I547 PolarHBondContact O-N 2.81Å
548	G	92.6	Very high	80	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	169.4	177.5	0	0	0	0	0	112.1	V534 K583	V534-G548 PolarHBondContact N-O 2.93Å; V534-G548 PolarHBondContact O-N 2.79Å; G548-K583 CarbonylContact C-O 3.55Å; G548-K583 WeakPolarHBondContact CA-O 3.34Å
549	E	94.8	Very high	80.9	Confident	20 Å²	20	52.8 Å²	52.8	9%	0.093	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	164.5	-171.7	65.9	-169.1	-179	0	0	113.5	L531 V532 S533 K583 A585 A586 A588	L531-E549 HydrophobicContact CD1-CB 4.24Å; L531-E549 HydrophobicContact CD1-CG 4.25Å; V532-E549 VanDerWaalsContact O-CA 3.31Å; V532-E549 WeakPolarHBondContact O-CA 3.48Å; S533-E549 PolarHBondContact OG-OE2 3.34Å; E549-K583 PolarHBondContact N-O 3.49Å; E549-K583 PolarHBondContact O-N 2.93Å; E549-A585 WeakPolarHBondContact OE1-CA 3.26Å; E549-A586 PolarHBondContact OE1-N 3.21Å; E549-A588 WeakPolarHBondContact OE1-CB 2.9Å
550	V	96.1	Very high	82.6	Confident	5 Å²	5	54 Å²	54	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.1	167.8	-63.8	0	0	0	0	110.6	I448 V532 H580 S581 L582	I448-V550 HydrophobicContact CG2-CG1 4.29Å; I448-V550 HydrophobicContact CG2-CG2 3.86Å; V532-V550 HydrophobicContact CB-CG2 3.95Å; V532-V550 PolarHBondContact N-O 2.61Å; V532-V550 PolarHBondContact O-N 3.33Å; V550-H580 HydrophobicContact CB-CB 4.33Å; V550-H580 HydrophobicContact CG1-CB 3.78Å; V550-H580 HydrophobicContact CG2-CB 4.35Å; V550-S581 VanDerWaalsContact CG1-O 3.28Å; V550-S581 WeakPolarHBondContact CG1-O 3.17Å; V550-L582 HydrophobicContact CG1-CD2 4.31Å
551	L	96.2	Very high	84.7	Confident	55 Å²	55	51.1 Å²	51.1	29%	0.288	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.4	172.9	178.4	63.9	0	0	0	110	K529 L531 S556 C561	K529-L551 HydrophobicContact CB-CD1 4.24Å; L531-L551 HydrophobicContact CB-CD1 4.4Å; L531-L551 HydrophobicContact CD1-CB 4.19Å; L531-L551 HydrophobicContact CD1-CD1 4.41Å; L551-S556 VanDerWaalsContact C-OG 3.31Å; L551-S556 WeakPolarHBondContact O-CB 3.27Å; L551-S556 PolarHBondContact O-OG 3.02Å; L551-C561 WeakPolarHBondContact O-CB 3.48Å
552	L	96.1	Very high	86.7	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	107.4	173.4	-73.7	159.3	0	0	0	108.6	L450 L530 V532 C561 Q564 W565	L450-L552 HydrophobicContact CD1-CD1 3.92Å; L450-L552 HydrophobicContact CD2-CD1 4.19Å; L530-L552 HydrophobicContact CB-CB 4.04Å; L530-L552 HydrophobicContact CD2-CB 4.24Å; L530-L552 HydrophobicContact CD2-CD1 3.88Å; L530-L552 HydrophobicContact CG-CB 4.39Å; L530-L552 HydrophobicContact CG-CD1 4.45Å; L530-L552 PolarHBondContact N-O 3.42Å; L530-L552 WeakPolarHBondContact O-CB 3.2Å; L530-L552 PolarHBondContact O-N 3.04Å; V532-L552 HydrophobicContact CG2-CD1 4.25Å; L552-C561 HydrophobicContact CD2-CB 3.72Å; L552-C561 WeakPolarHBondContact CD2-O 3.39Å; L552-C561 HydrophobicContact CG-CB 4.39Å; L552-Q564 HydrophobicContact CD2-CB 4.21Å; L552-Q564 VanDerWaalsContact CD2-OE1 3.24Å; L552-W565 HydrophobicContact CB-CE3 3.82Å; L552-W565 HydrophobicContact CB-CZ3 4.12Å; L552-W565 WeakPolarHBondContact O-CZ3 3.39Å
553	S	94.5	Very high	89	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.014	26%	0.255	C	S	.	.	S	Bend	trans	-166.2	175.5	-175.1	72	0	0	0	0	110.5	M555 S556 L562	S553-M555 PolarHBondContact O-N 2.88Å; S553-M555 PolarHBondContact OG-N 2.81Å; S553-S556 PolarHBondContact N-OG 3.26Å; S553-S556 PolarHBondContact O-OG 3.15Å; S553-S556 PolarHBondContact OG-N 2.85Å; S553-S556 PolarHBondContact OG-OG 2.98Å; S553-S556 VanDerWaalsContact OG-OG 3.06Å; S553-L562 WeakPolarHBondContact O-CD1 3.46Å
554	N	91.9	Very high	91	Very high	54 Å²	54	47.8 Å²	47.8	29%	0.289	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.8	167.8	-77.5	-43.5	0	0	0	113.8	Q526 L562	Q526-N554 PolarHBondContact O-ND2 2.82Å; N554-L562 WeakPolarHBondContact O-CD1 3.31Å
555	M	88.1	Confident	92.7	Very high	154 Å²	154	43.4 Å²	43.4	76%	0.759	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	16.4	-178.4	-58.3	-58.6	-67.1	0	0	113	S553 D557	S553-M555 PolarHBondContact O-N 2.88Å; S553-M555 PolarHBondContact OG-N 2.81Å; M555-D557 PolarHBondContact O-N 2.91Å
556	S	89.8	Confident	93.6	Very high	7 Å²	7	45.6 Å²	45.6	5%	0.049	22%	0.224	C	C	.	.			trans	-80.5	117	-174.6	-67.2	0	0	0	0	113	L551 S553 E558	L551-S556 VanDerWaalsContact C-OG 3.31Å; L551-S556 WeakPolarHBondContact O-CB 3.27Å; L551-S556 PolarHBondContact O-OG 3.02Å; S553-S556 PolarHBondContact N-OG 3.26Å; S553-S556 PolarHBondContact O-OG 3.15Å; S553-S556 PolarHBondContact OG-N 2.85Å; S553-S556 PolarHBondContact OG-OG 2.98Å; S553-S556 VanDerWaalsContact OG-OG 3.06Å; S556-E558 PolarHBondContact O-N 3.33Å
557	D	89	Confident	93.9	Very high	149 Å²	149	47.3 Å²	47.3	80%	0.797	23%	0.231	S	C	*	.	S	Bend	trans	-60.4	-30.5	177.7	-33.1	-58.7	0	0	0	113.6	M555 K559 K583	M555-D557 PolarHBondContact O-N 2.91Å; D557-K559 PolarHBondContact O-N 3.25Å; D557-K583 IonicContact OD2-NZ 3.55Å
558	E	92	Very high	94.2	Very high	37 Å²	37	46.8 Å²	46.8	17%	0.173	23%	0.229	C	C	.	.	S	Bend	trans	-79.8	113.2	179	-165	171.1	137.1	0	0	109.9	S556 S560 C561 L562 S581	S556-E558 PolarHBondContact O-N 3.33Å; E558-S560 VanDerWaalsContact CD-OG 3.31Å; E558-S560 WeakPolarHBondContact CG-OG 3.31Å; E558-S560 PolarHBondContact O-N 3.4Å; E558-S560 VanDerWaalsContact O-N 3.08Å; E558-S560 PolarHBondContact OE1-OG 2.95Å; E558-C561 HydrophobicContact CB-CB 4.48Å; E558-C561 WeakPolarHBondContact O-CB 3.31Å; E558-C561 PolarHBondContact O-N 2.97Å; E558-L562 PolarHBondContact O-N 3.25Å; E558-L562 VanDerWaalsContact O-N 3.07Å; E558-S581 PolarHBondContact OE1-N 3.04Å; E558-S581 VanDerWaalsContact OE1-N 3.13Å
559	K	94.2	Very high	94.2	Very high	142 Å²	142	49 Å²	49	62%	0.617	24%	0.241	S	C	*	.	H	α-helix	trans	-46	-40.4	176.6	179.4	176.2	173.2	178.4	0	113	D557 C561 L562 E563	D557-K559 PolarHBondContact O-N 3.25Å; K559-C561 PolarHBondContact O-N 2.7Å; K559-L562 PolarHBondContact O-N 3.27Å; K559-E563 WeakPolarHBondContact CE-OE1 3.44Å; K559-E563 WeakPolarHBondContact CE-OE2 3.32Å; K559-E563 HydrophobicContact CG-CG 4.18Å; K559-E563 IonicContact NZ-OE1 3.13Å; K559-E563 VanDerWaalsContact O-CB 3.3Å; K559-E563 WeakPolarHBondContact O-CB 3.32Å; K559-E563 VanDerWaalsContact O-CG 3.3Å; K559-E563 WeakPolarHBondContact O-CG 3.43Å; K559-E563 PolarHBondContact O-N 2.77Å
560	S	95.8	Very high	94.1	Very high	30 Å²	30	54.9 Å²	54.9	21%	0.21	27%	0.268	C	S	.	.	H	α-helix	trans	-59.4	-43.9	178.7	73.1	0	0	0	0	112.3	E558 Q564 H580	E558-S560 VanDerWaalsContact CD-OG 3.31Å; E558-S560 WeakPolarHBondContact CG-OG 3.31Å; E558-S560 PolarHBondContact O-N 3.4Å; E558-S560 VanDerWaalsContact O-N 3.08Å; E558-S560 PolarHBondContact OE1-OG 2.95Å; S560-Q564 PolarHBondContact O-N 3.38Å; S560-H580 PolarHBondContact O-CE1 3.13Å; S560-H580 PolarHBondContact OG-ND1 2.82Å
561	C	96	Very high	94	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.014	28%	0.28	C	S	.	.	H	α-helix	trans	-68.9	-46.8	178.3	-62.1	0	0	0	0	111	L551 L552 E558 K559 E563 Q564 W565 H580	L551-C561 WeakPolarHBondContact O-CB 3.48Å; L552-C561 HydrophobicContact CD2-CB 3.72Å; L552-C561 WeakPolarHBondContact CD2-O 3.39Å; L552-C561 HydrophobicContact CG-CB 4.39Å; E558-C561 HydrophobicContact CB-CB 4.48Å; E558-C561 WeakPolarHBondContact O-CB 3.31Å; E558-C561 PolarHBondContact O-N 2.97Å; K559-C561 PolarHBondContact O-N 2.7Å; C561-E563 VanDerWaalsContact C-N 3.32Å; C561-E563 PolarHBondContact O-N 2.75Å; C561-Q564 PolarHBondContact O-N 2.68Å; C561-W565 WeakPolarHBondContact O-CB 3.34Å; C561-W565 PolarHBondContact O-N 2.89Å; C561-H580 PolarHBondContact N-ND1 2.85Å; C561-H580 PolarHBondContact SG-ND1 2.87Å
562	L	95.3	Very high	93.9	Very high	31 Å²	31	57.9 Å²	57.9	16%	0.162	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-37.6	179.9	-173.9	60.3	0	0	0	112	S553 N554 E558 K559 R566	S553-L562 WeakPolarHBondContact O-CD1 3.46Å; N554-L562 WeakPolarHBondContact O-CD1 3.31Å; E558-L562 PolarHBondContact O-N 3.25Å; E558-L562 VanDerWaalsContact O-N 3.07Å; K559-L562 PolarHBondContact O-N 3.27Å; L562-R566 WeakPolarHBondContact O-CB 3.45Å; L562-R566 VanDerWaalsContact O-CG 3.26Å; L562-R566 WeakPolarHBondContact O-CG 3.47Å; L562-R566 PolarHBondContact O-N 3.5Å
563	E	96.6	Very high	93.8	Very high	88 Å²	88	60.4 Å²	60.4	41%	0.411	32%	0.315	S	S	.	.	H	α-helix	trans	-69.3	-43.6	173.5	-74.9	177.7	151.3	0	0	111.9	K559 C561 W565 N567	K559-E563 WeakPolarHBondContact CE-OE1 3.44Å; K559-E563 WeakPolarHBondContact CE-OE2 3.32Å; K559-E563 HydrophobicContact CG-CG 4.18Å; K559-E563 IonicContact NZ-OE1 3.13Å; K559-E563 VanDerWaalsContact O-CB 3.3Å; K559-E563 WeakPolarHBondContact O-CB 3.32Å; K559-E563 VanDerWaalsContact O-CG 3.3Å; K559-E563 WeakPolarHBondContact O-CG 3.43Å; K559-E563 PolarHBondContact O-N 2.77Å; C561-E563 VanDerWaalsContact C-N 3.32Å; C561-E563 PolarHBondContact O-N 2.75Å; E563-W565 VanDerWaalsContact C-N 3.32Å; E563-W565 PolarHBondContact O-N 3.38Å; E563-N567 VanDerWaalsContact O-CB 3.29Å; E563-N567 WeakPolarHBondContact O-CB 3.37Å; E563-N567 VanDerWaalsContact O-CG 3.3Å; E563-N567 PolarHBondContact O-N 3.1Å; E563-N567 PolarHBondContact O-ND2 3.18Å
564	Q	96.9	Very high	93.8	Very high	6 Å²	6	66 Å²	66	3%	0.028	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-43.5	174.6	-167.3	-170.6	32.1	0	0	111.2	L450 L552 S560 C561 N567 M568 V576 A578 H580	L450-Q564 PolarHBondContact O-NE2 3.37Å; L552-Q564 HydrophobicContact CD2-CB 4.21Å; L552-Q564 VanDerWaalsContact CD2-OE1 3.24Å; S560-Q564 PolarHBondContact O-N 3.38Å; C561-Q564 PolarHBondContact O-N 2.68Å; Q564-N567 PolarHBondContact O-N 3.06Å; Q564-M568 WeakPolarHBondContact O-CB 3.35Å; Q564-M568 PolarHBondContact O-N 2.95Å; Q564-V576 HydrophobicContact CG-CB 4.38Å; Q564-V576 HydrophobicContact CG-CG1 3.81Å; Q564-V576 PolarHBondContact NE2-O 2.77Å; Q564-A578 HydrophobicContact CB-CB 4.01Å; Q564-A578 HydrophobicContact CG-CB 3.89Å; Q564-H580 PolarHBondContact OE1-NE2 3.43Å; Q564-H580 VanDerWaalsContact OE1-NE2 3.08Å
565	W	95.2	Very high	94.1	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.015	34%	0.343	C	S	.	.	H	α-helix	trans	-60.7	-51	179.7	-168.7	-105.5	0	0	0	112.3	M528 L530 L552 C561 E563 N567 M568 L569	M528-W565 HydrophobicContact CB-CH2 4.18Å; M528-W565 HydrophobicContact CB-CZ2 3.92Å; M528-W565 HydrophobicContact CE-CH2 3.43Å; M528-W565 VanDerWaalsContact CE-CH2 3.43Å; M528-W565 HydrophobicContact CE-CZ2 3.76Å; M528-W565 HydrophobicContact CE-CZ3 4.32Å; M528-W565 HydrophobicContact CG-CH2 3.96Å; M528-W565 HydrophobicContact CG-CZ2 4.22Å; M528-W565 WeakPolarHBondContact O-CZ2 3.32Å; M528-W565 HydrophobicContact SD-CH2 4.49Å; L530-W565 HydrophobicContact CB-CH2 4.18Å; L530-W565 HydrophobicContact CB-CZ3 3.77Å; L530-W565 HydrophobicContact CD2-CZ3 4.32Å; L552-W565 HydrophobicContact CB-CE3 3.82Å; L552-W565 HydrophobicContact CB-CZ3 4.12Å; L552-W565 WeakPolarHBondContact O-CZ3 3.39Å; C561-W565 WeakPolarHBondContact O-CB 3.34Å; C561-W565 PolarHBondContact O-N 2.89Å; E563-W565 VanDerWaalsContact C-N 3.32Å; E563-W565 PolarHBondContact O-N 3.38Å; W565-N567 PolarHBondContact O-N 2.85Å; W565-M568 HydrophobicContact CD2-CE 4.01Å; W565-M568 HydrophobicContact CE3-CE 3.57Å; W565-M568 HydrophobicContact CH2-CE 3.99Å; W565-M568 HydrophobicContact CZ2-CE 4.31Å; W565-M568 HydrophobicContact CZ3-CE 3.58Å; W565-M568 WeakPolarHBondContact O-CB 3.25Å; W565-M568 PolarHBondContact O-N 3.44Å; W565-L569 WeakPolarHBondContact O-CG 3.38Å; W565-L569 PolarHBondContact O-N 3.04Å
566	R	95.2	Very high	94.5	Very high	122 Å²	122	61 Å²	61	46%	0.46	31%	0.313	S	S	.	.	H	α-helix	trans	-61.2	-44.4	177.1	-73.2	169.7	176.8	170.1	-0.8	111.7	L562 M568 L569 Q570	L562-R566 WeakPolarHBondContact O-CB 3.45Å; L562-R566 VanDerWaalsContact O-CG 3.26Å; L562-R566 WeakPolarHBondContact O-CG 3.47Å; L562-R566 PolarHBondContact O-N 3.5Å; R566-M568 VanDerWaalsContact C-N 3.31Å; R566-M568 PolarHBondContact O-N 2.8Å; R566-L569 PolarHBondContact O-N 2.7Å; R566-Q570 WeakPolarHBondContact O-CB 3.18Å; R566-Q570 VanDerWaalsContact O-CG 3.23Å; R566-Q570 WeakPolarHBondContact O-CG 3.49Å; R566-Q570 PolarHBondContact O-N 3.02Å
567	N	95.8	Very high	94.9	Very high	71 Å²	71	67.5 Å²	67.5	38%	0.38	34%	0.341	S	S	.	.	H	α-helix	trans	-60.8	-39.2	176.2	-79.5	-54.4	0	0	0	112.2	E563 Q564 W565 Q570 N571 V576	E563-N567 VanDerWaalsContact O-CB 3.29Å; E563-N567 WeakPolarHBondContact O-CB 3.37Å; E563-N567 VanDerWaalsContact O-CG 3.3Å; E563-N567 PolarHBondContact O-N 3.1Å; E563-N567 PolarHBondContact O-ND2 3.18Å; Q564-N567 PolarHBondContact O-N 3.06Å; W565-N567 PolarHBondContact O-N 2.85Å; N567-Q570 PolarHBondContact O-N 2.73Å; N567-N571 WeakPolarHBondContact O-CB 3.19Å; N567-N571 PolarHBondContact O-N 3.33Å; N567-N571 PolarHBondContact O-ND2 2.77Å; N567-V576 HydrophobicContact CB-CG1 3.81Å; N567-V576 HydrophobicContact CB-CG2 4.3Å
568	M	95.2	Very high	95.3	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-65.6	-44.9	176.3	-179.1	-166.7	70.9	0	0	112.1	A452 L454 L461 M528 Q564 W565 R566 Q570 N571 V576	A452-M568 HydrophobicContact CB-CG 4.37Å; A452-M568 HydrophobicContact CB-SD 3.59Å; A452-M568 VanDerWaalsContact CB-SD 3.59Å; L454-M568 HydrophobicContact CB-CG 3.74Å; L454-M568 HydrophobicContact CB-SD 4.22Å; L461-M568 HydrophobicContact CD1-CE 4.32Å; L461-M568 HydrophobicContact CD1-SD 3.53Å; L461-M568 VanDerWaalsContact CD1-SD 3.53Å; M528-M568 HydrophobicContact CE-CE 4.13Å; Q564-M568 WeakPolarHBondContact O-CB 3.35Å; Q564-M568 PolarHBondContact O-N 2.95Å; W565-M568 HydrophobicContact CD2-CE 4.01Å; W565-M568 HydrophobicContact CE3-CE 3.57Å; W565-M568 HydrophobicContact CH2-CE 3.99Å; W565-M568 HydrophobicContact CZ2-CE 4.31Å; W565-M568 HydrophobicContact CZ3-CE 3.58Å; W565-M568 WeakPolarHBondContact O-CB 3.25Å; W565-M568 PolarHBondContact O-N 3.44Å; R566-M568 VanDerWaalsContact C-N 3.31Å; R566-M568 PolarHBondContact O-N 2.8Å; M568-Q570 VanDerWaalsContact C-N 3.34Å; M568-N571 PolarHBondContact O-N 3.17Å; M568-V576 HydrophobicContact CB-CG2 4.36Å
569	L	93.1	Very high	95.6	Very high	47 Å²	47	62.8 Å²	62.8	25%	0.246	33%	0.325	C	S	.	.	H	α-helix	trans	-65	-37.1	176.4	-67.7	-179.6	0	0	0	112.2	L454 L525 W565 R566	L454-L569 HydrophobicContact CD2-CD2 3.82Å; L525-L569 HydrophobicContact CB-CD2 4.3Å; W565-L569 WeakPolarHBondContact O-CG 3.38Å; W565-L569 PolarHBondContact O-N 3.04Å; R566-L569 PolarHBondContact O-N 2.7Å
570	Q	93.6	Very high	95.7	Very high	142 Å²	142	56.1 Å²	56.1	66%	0.664	30%	0.296	S	S	*	.	H	α-helix	trans	-78.3	-21.5	-180	-71.9	171.7	-11.9	0	0	114.1	R566 N567 M568 P572	R566-Q570 WeakPolarHBondContact O-CB 3.18Å; R566-Q570 VanDerWaalsContact O-CG 3.23Å; R566-Q570 WeakPolarHBondContact O-CG 3.49Å; R566-Q570 PolarHBondContact O-N 3.02Å; N567-Q570 PolarHBondContact O-N 2.73Å; M568-Q570 VanDerWaalsContact C-N 3.34Å; Q570-P572 VanDerWaalsContact C-CD 3.44Å; Q570-P572 WeakPolarHBondContact O-CD 3.18Å
571	N	94.1	Very high	95.7	Very high	52 Å²	52	57.5 Å²	57.5	28%	0.278	31%	0.306	S	S	.	.	S	Bend	trans	-124.8	63.4	-176.1	-60.8	-113.6	0	0	0	111.1	N567 M568 K574	N567-N571 WeakPolarHBondContact O-CB 3.19Å; N567-N571 PolarHBondContact O-N 3.33Å; N567-N571 PolarHBondContact O-ND2 2.77Å; M568-N571 PolarHBondContact O-N 3.17Å; N571-K574 HydrophobicContact CB-CB 3.83Å; N571-K574 HydrophobicContact CB-CD 3.77Å; N571-K574 HydrophobicContact CB-CG 4.45Å; N571-K574 VanDerWaalsContact O-CB 3.27Å; N571-K574 WeakPolarHBondContact O-CB 3.17Å; N571-K574 PolarHBondContact O-N 2.85Å; N571-K574 VanDerWaalsContact O-N 3.1Å; N571-K574 PolarHBondContact OD1-NZ 3.32Å
572	P	92.6	Very high	95.7	Very high	72 Å²	72	57.9 Å²	57.9	47%	0.468	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	141.8	177	25.9	-34.5	0	0	0	111.4	L454 T456 Q570 K574	L454-P572 CarbonylContact O-C 3.54Å; L454-P572 VanDerWaalsContact O-CA 3.28Å; L454-P572 WeakPolarHBondContact O-CA 3.36Å; T456-P572 HydrophobicContact CG2-CB 4.34Å; Q570-P572 VanDerWaalsContact C-CD 3.44Å; Q570-P572 WeakPolarHBondContact O-CD 3.18Å; P572-K574 VanDerWaalsContact C-N 3.25Å; P572-K574 PolarHBondContact O-N 3.25Å
573	G	94	Very high	95.5	Very high	55 Å²	55	60.6 Å²	60.6	57%	0.567	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-7	-173.2	0	0	0	0	0	115.3	C453 L454	C453-G573 VanDerWaalsContact SG-C 3.58Å; L454-G573 PolarHBondContact O-N 3.15Å
574	K	96.2	Very high	95	Very high	119 Å²	119	59.3 Å²	59.3	52%	0.517	32%	0.323	S	S	.	.			trans	-99.6	133	178.8	-166.5	179.4	-179.3	178.4	0	111.3	N571 P572 V576	N571-K574 HydrophobicContact CB-CB 3.83Å; N571-K574 HydrophobicContact CB-CD 3.77Å; N571-K574 HydrophobicContact CB-CG 4.45Å; N571-K574 VanDerWaalsContact O-CB 3.27Å; N571-K574 WeakPolarHBondContact O-CB 3.17Å; N571-K574 PolarHBondContact O-N 2.85Å; N571-K574 VanDerWaalsContact O-N 3.1Å; N571-K574 PolarHBondContact OD1-NZ 3.32Å; P572-K574 VanDerWaalsContact C-N 3.25Å; P572-K574 PolarHBondContact O-N 3.25Å; K574-V576 PolarHBondContact O-N 2.63Å
575	E	96.9	Very high	94.2	Very high	83 Å²	83	61.7 Å²	61.7	39%	0.388	34%	0.343	S	S	.	.			trans	-76	112.2	172.3	-171.9	-171.9	-173.8	0	0	110.5	S451 C453 N464 K577	S451-E575 WeakPolarHBondContact CB-OE1 3.3Å; S451-E575 PolarHBondContact OG-OE1 3.02Å; C453-E575 HydrophobicContact CB-CB 4.49Å; N464-E575 PolarHBondContact ND2-OE1 3.23Å; E575-K577 VanDerWaalsContact CD-NZ 3.29Å; E575-K577 HydrophobicContact CG-CG 4.45Å; E575-K577 WeakPolarHBondContact OE1-CE 2.94Å; E575-K577 IonicContact OE1-NZ 3.83Å; E575-K577 PolarHBondContact OE1-NZ 2.88Å; E575-K577 WeakPolarHBondContact OE2-CE 3.43Å; E575-K577 IonicContact OE2-NZ 3.69Å; E575-K577 PolarHBondContact OE2-NZ 2.79Å
576	V	97.6	Very high	92.5	Very high	20 Å²	20	65.2 Å²	65.2	12%	0.121	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.8	178.5	-172.9	0	0	0	0	109.8	S451 A452 Q564 N567 M568 K574	S451-V576 WeakPolarHBondContact CA-O 3.09Å; S451-V576 WeakPolarHBondContact CB-O 3.22Å; A452-V576 PolarHBondContact N-O 3.34Å; A452-V576 PolarHBondContact O-N 2.81Å; Q564-V576 HydrophobicContact CG-CB 4.38Å; Q564-V576 HydrophobicContact CG-CG1 3.81Å; Q564-V576 PolarHBondContact NE2-O 2.77Å; N567-V576 HydrophobicContact CB-CG1 3.81Å; N567-V576 HydrophobicContact CB-CG2 4.3Å; M568-V576 HydrophobicContact CB-CG2 4.36Å; K574-V576 PolarHBondContact O-N 2.63Å
577	K	97.7	Very high	90	Very high	144 Å²	144	68 Å²	68	63%	0.626	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.8	-176	-43.3	-161.3	168.6	-175.2	0	110.7	E575	E575-K577 VanDerWaalsContact CD-NZ 3.29Å; E575-K577 HydrophobicContact CG-CG 4.45Å; E575-K577 WeakPolarHBondContact OE1-CE 2.94Å; E575-K577 IonicContact OE1-NZ 3.83Å; E575-K577 PolarHBondContact OE1-NZ 2.88Å; E575-K577 WeakPolarHBondContact OE2-CE 3.43Å; E575-K577 IonicContact OE2-NZ 3.69Å; E575-K577 PolarHBondContact OE2-NZ 2.79Å
578	A	97.7	Very high	86.9	Confident	26 Å²	26	67 Å²	67	22%	0.215	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	171.4	177.6	0	0	0	0	0	112.3	L450 Q564 H580	L450-A578 PolarHBondContact N-O 3.41Å; L450-A578 VanDerWaalsContact N-O 3.15Å; L450-A578 PolarHBondContact O-N 2.87Å; L450-A578 VanDerWaalsContact O-O 3.07Å; Q564-A578 HydrophobicContact CB-CB 4.01Å; Q564-A578 HydrophobicContact CG-CB 3.89Å; A578-H580 VanDerWaalsContact CB-NE2 3.34Å; A578-H580 WeakPolarHBondContact CB-NE2 3.27Å
579	S	97.5	Very high	84	Confident	60 Å²	60	72.3 Å²	72.3	42%	0.42	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.9	176.7	-49.6	0	0	0	0	108.7	I448 H449	I448-S579 VanDerWaalsContact O-CA 3.31Å; I448-S579 WeakPolarHBondContact O-CA 3.47Å; H449-S579 PolarHBondContact CE1-OG 3.09Å; H449-S579 PolarHBondContact ND1-OG 3.12Å
580	H	97	Very high	81	Confident	2 Å²	2	79.3 Å²	79.3	1%	0.009	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.8	-172.2	-50.7	-77.1	0	0	0	111	R447 I448 V550 S560 C561 Q564 A578	R447-H580 CarbonylContact C-O 3.59Å; R447-H580 WeakPolarHBondContact CA-O 3.34Å; I448-H580 HydrophobicContact CG2-CB 4.12Å; I448-H580 PolarHBondContact N-O 3Å; I448-H580 PolarHBondContact O-N 2.82Å; V550-H580 HydrophobicContact CB-CB 4.33Å; V550-H580 HydrophobicContact CG1-CB 3.78Å; V550-H580 HydrophobicContact CG2-CB 4.35Å; S560-H580 PolarHBondContact O-CE1 3.13Å; S560-H580 PolarHBondContact OG-ND1 2.82Å; C561-H580 PolarHBondContact N-ND1 2.85Å; C561-H580 PolarHBondContact SG-ND1 2.87Å; Q564-H580 PolarHBondContact OE1-NE2 3.43Å; Q564-H580 VanDerWaalsContact OE1-NE2 3.08Å; A578-H580 VanDerWaalsContact CB-NE2 3.34Å; A578-H580 WeakPolarHBondContact CB-NE2 3.27Å
581	S	95.9	Very high	80.3	Confident	60 Å²	60	76.2 Å²	76.2	42%	0.42	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.5	177.4	-57.2	0	0	0	0	110	V550 E558 K583	V550-S581 VanDerWaalsContact CG1-O 3.28Å; V550-S581 WeakPolarHBondContact CG1-O 3.17Å; E558-S581 PolarHBondContact OE1-N 3.04Å; E558-S581 VanDerWaalsContact OE1-N 3.13Å; S581-K583 PolarHBondContact O-N 2.85Å
582	L	95.1	Very high	79.6	Confident	10 Å²	10	77.4 Å²	77.4	5%	0.052	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-70.2	123.3	177.6	-70.3	164.3	0	0	0	109.5	L445 G446 I448 I468 L471 V534 V550	L445-L582 HydrophobicContact CB-CB 3.96Å; L445-L582 VanDerWaalsContact O-CD1 3.29Å; L445-L582 WeakPolarHBondContact O-CD1 3.49Å; G446-L582 PolarHBondContact O-N 2.63Å; I448-L582 HydrophobicContact CB-CD2 4.26Å; I448-L582 HydrophobicContact CB-CG 4.45Å; I448-L582 HydrophobicContact CG2-CD2 4Å; I448-L582 HydrophobicContact CG2-CG 4.36Å; I468-L582 HydrophobicContact CG2-CD1 3.78Å; L471-L582 HydrophobicContact CD2-CD1 3.66Å; V534-L582 HydrophobicContact CB-CD2 4.43Å; V534-L582 HydrophobicContact CG2-CD1 3.92Å; V534-L582 HydrophobicContact CG2-CD2 3.55Å; V534-L582 HydrophobicContact CG2-CG 4.42Å; V550-L582 HydrophobicContact CG1-CD2 4.31Å
583	K	91.7	Very high	78.9	Confident	87 Å²	87	77.7 Å²	77.7	38%	0.378	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-94.2	158.1	173.7	-64.5	-178.2	-178.5	179.5	0	109.8	L445 G548 E549 D557 S581	L445-K583 VanDerWaalsContact CD1-C 3.43Å; G548-K583 CarbonylContact C-O 3.55Å; G548-K583 WeakPolarHBondContact CA-O 3.34Å; E549-K583 PolarHBondContact N-O 3.49Å; E549-K583 PolarHBondContact O-N 2.93Å; D557-K583 IonicContact OD2-NZ 3.55Å; S581-K583 PolarHBondContact O-N 2.85Å
584	A	87.1	Confident	78	Confident	62 Å²	62	79.1 Å²	79.1	51%	0.512	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-64.6	145.9	171.4	0	0	0	0	0	109	L445 A586	L445-A584 HydrophobicContact CD1-CB 3.95Å; A584-A586 WeakPolarHBondContact O-CB 3.43Å; A584-A586 PolarHBondContact O-N 3.34Å; A584-A586 VanDerWaalsContact O-N 3.13Å
585	A	80	Confident	76.8	Confident	56 Å²	56	76.6 Å²	76.6	46%	0.463	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-61.4	117.7	175.3	0	0	0	0	0	109.4	V546 E549	V546-A585 HydrophobicContact CB-CB 4.21Å; V546-A585 HydrophobicContact CG1-CB 3.98Å; E549-A585 WeakPolarHBondContact OE1-CA 3.26Å
586	A	58.1	Low	75.5	Confident	77 Å²	77	76.1 Å²	76.1	64%	0.636	46%	0.461	S	S	*	.			trans	-128.8	61.4	-163.2	0	0	0	0	0	110.8	E549 A584 A588	E549-A586 PolarHBondContact OE1-N 3.21Å; A584-A586 WeakPolarHBondContact O-CB 3.43Å; A584-A586 PolarHBondContact O-N 3.34Å; A584-A586 VanDerWaalsContact O-N 3.13Å; A586-A588 PolarHBondContact O-N 3.16Å
587	E	42.4	Very low	73.9	Confident	181 Å²	181	80.1 Å²	80.1	85%	0.846	49%	0.485	S	S	*	.			trans	46.5	38.8	176.5	-65	178.8	170.7	0	0	113.1	F589	E587-F589 PolarHBondContact O-N 3.39Å
588	A	30.9	Very low	72.1	Confident	50 Å²	50	75.2 Å²	75.2	41%	0.413	48%	0.475	S	S	.	.			trans	-74.3	27.1	-164.5	0	0	0	0	0	115.7	E549 A586	E549-A588 WeakPolarHBondContact OE1-CB 2.9Å; A586-A588 PolarHBondContact O-N 3.16Å
589	F	35	Very low	70	Confident	114 Å²	114	79.3 Å²	79.3	50%	0.5	50%	0.496	S	S	.	.			trans	-148.4	85.1	168.7	-81.2	-70.5	0	0	0	109.8	L531 E587	L531-F589 HydrophobicContact CD2-CD2 4.29Å; L531-F589 HydrophobicContact CD2-CE2 3.61Å; L531-F589 HydrophobicContact CD2-CZ 4.44Å; E587-F589 PolarHBondContact O-N 3.39Å
590	C	28.9	Very low	67.5	Low	193 Å²	193	81.1 Å²	81.1	100%	1.304	50%	0.503	S	S	*	.			trans	-133.1	0	158.9	-76	0	0	0	0	107.6

Retrieved 590 of 590 residues in 487.7 ms (Link to these results)

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