A0A5K4F6B7_SCHMA Loading...

GOLD domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F6B7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 603 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	32	Very low	248 Å²	248	184.3 Å²	184.3	100%	1.222	90%	0.899	S	S	*	*				0	-2.4	0	-86.5	-179	170.5	0	0	114.1
2	F	27.7	Very low	31.9	Very low	211 Å²	211	183.3 Å²	183.3	93%	0.925	90%	0.901	S	S	*	*			trans	-84.7	173.8	157.4	-75.6	-106.2	0	0	0	110.1
3	A	33.3	Very low	32.1	Very low	103 Å²	103	180.3 Å²	180.3	85%	0.851	89%	0.89	S	S	*	*			trans	74.1	60.3	171.8	0	0	0	0	0	118.1
4	M	35.1	Very low	32.1	Very low	200 Å²	200	180.2 Å²	180.2	99%	0.985	88%	0.882	S	S	*	*			trans	-138.4	127.8	145.2	-80.6	-168	168.8	0	0	109.3
5	G	31.7	Very low	32.2	Very low	76 Å²	76	176.3 Å²	176.3	78%	0.784	87%	0.866	S	S	*	*	S	Bend	trans	111.7	75.3	175.3	0	0	0	0	0	116
6	R	32.1	Very low	32.4	Very low	250 Å²	250	172.8 Å²	172.8	94%	0.943	85%	0.85	S	S	*	*			trans	178.2	72.4	155.7	-100.1	160.2	-166.8	-115.5	3.8	109.6
7	L	31.3	Very low	32.4	Very low	161 Å²	161	167.9 Å²	167.9	84%	0.843	83%	0.828	S	S	*	*			trans	-158.6	53.3	-179.4	-128	150.6	0	0	0	111.3
8	W	30	Very low	32.4	Very low	247 Å²	247	165.4 Å²	165.4	94%	0.936	82%	0.824	S	S	*	*			trans	-137.4	36.5	-169.8	-111	56.2	0	0	0	112
9	W	29.7	Very low	32.6	Very low	252 Å²	252	160.4 Å²	160.4	96%	0.955	80%	0.803	S	S	*	*	S	Bend	trans	-146.3	14.6	-177.3	-84.2	103.9	0	0	0	114.3
10	I	33.9	Very low	32.5	Very low	149 Å²	149	159.8 Å²	159.8	76%	0.764	80%	0.802	S	S	*	*			trans	-142.6	107.2	176.1	-53.9	176.7	0	0	0	107.9
11	L	32.4	Very low	32.5	Very low	130 Å²	130	155 Å²	155	68%	0.681	78%	0.783	S	S	*	*			trans	162.8	62.4	150.4	-90.9	163.7	0	0	0	111.3	L13	L11-L13 HydrophobicContact CD2-CB 4.38Å; L11-L13 PolarHBondContact O-N 3.33Å
12	D	30.2	Very low	32.4	Very low	173 Å²	173	151 Å²	151	93%	0.925	76%	0.762	S	S	*	*			trans	-77.6	95.3	155	-79.3	-53.3	0	0	0	107.9
13	L	35.4	Very low	32.8	Very low	144 Å²	144	144.2 Å²	144.2	75%	0.754	74%	0.738	S	S	*	*			trans	-120.6	114.1	176.4	-147.7	81.9	0	0	0	109.4	L11 L15	L11-L13 HydrophobicContact CD2-CB 4.38Å; L11-L13 PolarHBondContact O-N 3.33Å; L13-L15 PolarHBondContact O-N 3.05Å
14	F	32.1	Very low	32.7	Very low	179 Å²	179	144.2 Å²	144.2	79%	0.785	73%	0.732	S	S	*	*			trans	-61.8	107.5	-178	-101.1	-106.2	0	0	0	111.6	I16	F14-I16 PolarHBondContact O-N 2.82Å
15	L	33.4	Very low	32.7	Very low	122 Å²	122	139.1 Å²	139.1	64%	0.639	71%	0.712	S	S	*	*			trans	-83.1	98.2	175.5	-156	97.1	0	0	0	110	L13 L17 A452	L13-L15 PolarHBondContact O-N 3.05Å; L15-L17 HydrophobicContact CD2-CG 4.3Å; L15-L17 PolarHBondContact O-N 3.02Å; L15-A452 HydrophobicContact CD2-CB 4.45Å
16	I	34.6	Very low	32.8	Very low	119 Å²	119	141.1 Å²	141.1	61%	0.61	71%	0.705	S	S	*	*			trans	-75.7	89.1	-178.3	-55.4	178.3	0	0	0	110.3	F14 T18	F14-I16 PolarHBondContact O-N 2.82Å; I16-T18 PolarHBondContact O-N 3.48Å
17	L	33.2	Very low	32.9	Very low	91 Å²	91	135 Å²	135	48%	0.476	70%	0.697	S	S	.	*			trans	-73.9	113.6	170.2	-83.4	168.8	0	0	0	111	L15 V19	L15-L17 HydrophobicContact CD2-CG 4.3Å; L15-L17 PolarHBondContact O-N 3.02Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 3.08Å
18	T	31.8	Very low	33.1	Very low	123 Å²	123	138.1 Å²	138.1	76%	0.755	70%	0.698	S	S	*	*			trans	-73.4	82.4	175	52.6	0	0	0	0	111.6	I16 N20	I16-T18 PolarHBondContact O-N 3.48Å; T18-N20 PolarHBondContact O-N 3.14Å
19	V	36.9	Very low	33.4	Very low	69 Å²	69	133.8 Å²	133.8	42%	0.418	69%	0.688	S	S	.	*			trans	-72.5	115.1	175.2	-178.1	0	0	0	0	110.1	L17 C21 L329	L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 3.08Å; V19-C21 VanDerWaalsContact C-N 3.26Å; V19-C21 PolarHBondContact O-N 2.89Å; V19-L329 HydrophobicContact CB-CD2 4.28Å
20	N	30.7	Very low	33.8	Very low	149 Å²	149	129.9 Å²	129.9	80%	0.797	67%	0.674	S	S	*	*			trans	-72.8	70.6	178.1	-88.1	-54.8	0	0	0	112.7	T18 Q22	T18-N20 PolarHBondContact O-N 3.14Å; N20-Q22 PolarHBondContact O-N 2.67Å
21	C	32.4	Very low	33.8	Very low	58 Å²	58	127.5 Å²	127.5	39%	0.392	67%	0.669	S	S	.	*			trans	-78.7	92.9	167.6	-79.4	0	0	0	0	110.6	V19 N322	V19-C21 VanDerWaalsContact C-N 3.26Å; V19-C21 PolarHBondContact O-N 2.89Å; C21-N322 PolarHBondContact SG-ND2 2.98Å; C21-N322 VanDerWaalsContact SG-ND2 3.39Å
22	Q	32.8	Very low	34.1	Very low	166 Å²	166	127.6 Å²	127.6	78%	0.776	67%	0.67	S	S	*	*			trans	-68.2	138.2	166.4	-66.3	-163.7	-54.2	0	0	110.4	N20	N20-Q22 PolarHBondContact O-N 2.67Å
23	P	35	Very low	34.5	Very low	67 Å²	67	123.5 Å²	123.5	44%	0.435	65%	0.651	S	S	.	*			trans	-66.4	144.9	171.4	28.2	-33.8	0	0	0	110.7	V25	P23-V25 HydrophobicContact CB-CG2 4.33Å; P23-V25 HydrophobicContact CG-CG2 4.18Å; P23-V25 PolarHBondContact O-N 2.62Å
24	S	33.2	Very low	34.5	Very low	103 Å²	103	120 Å²	120	72%	0.72	64%	0.643	S	S	*	*			trans	-68.3	101.6	172.7	-172.4	0	0	0	0	109.8
25	V	34.5	Very low	34.5	Very low	94 Å²	94	118.8 Å²	118.8	57%	0.57	64%	0.64	S	S	*	*			trans	-121.6	120.1	176.4	-178.9	0	0	0	0	108.4	P23 P27	P23-V25 HydrophobicContact CB-CG2 4.33Å; P23-V25 HydrophobicContact CG-CG2 4.18Å; P23-V25 PolarHBondContact O-N 2.62Å; V25-P27 WeakPolarHBondContact O-CD 3.12Å
26	N	34.3	Very low	34.6	Very low	118 Å²	118	116 Å²	116	63%	0.631	63%	0.634	S	S	*	*			trans	-68.5	112.6	-177.6	-167	-13	0	0	0	110.3	R28	N26-R28 PolarHBondContact O-N 3.49Å
27	P	32.7	Very low	34.6	Very low	120 Å²	120	114.8 Å²	114.8	78%	0.779	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	10.6	-163.8	-22.3	35.3	0	0	0	117	V25	V25-P27 WeakPolarHBondContact O-CD 3.12Å
28	R	36.6	Very low	34.5	Very low	228 Å²	228	121.4 Å²	121.4	86%	0.86	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-14.8	-167.5	-86	-177.6	165.1	151.5	-1.9	116.6	N26	N26-R28 PolarHBondContact O-N 3.49Å
29	E	36.6	Very low	34.5	Very low	155 Å²	155	118.5 Å²	118.5	72%	0.724	65%	0.646	S	S	*	*	S	Bend	trans	-113.5	-18.4	-172.8	-68.8	-176.3	123.5	0	0	115.6
30	Y	36.5	Very low	34.3	Very low	170 Å²	170	123.4 Å²	123.4	67%	0.667	66%	0.664	S	S	*	*			trans	-132.9	80.3	-175.7	-68	-84.2	0	0	0	113	N32 T33	Y30-N32 PolarHBondContact O-N 3.06Å; Y30-T33 PolarHBondContact O-N 3.36Å
31	P	34.7	Very low	34.3	Very low	100 Å²	100	125.3 Å²	125.3	65%	0.649	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-26.9	-177.2	24.7	-34.2	0	0	0	113.9
32	N	38.2	Very low	34.2	Very low	131 Å²	131	130.7 Å²	130.7	70%	0.701	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-24.6	-173.6	-63	-5.2	0	0	0	113.3	Y30	Y30-N32 PolarHBondContact O-N 3.06Å
33	T	39.6	Very low	34	Very low	87 Å²	87	131.9 Å²	131.9	53%	0.534	69%	0.692	S	S	.	*	H	α-helix	trans	-74.5	-31.5	-176.8	-40.7	0	0	0	0	111.9	Y30 Q35	Y30-T33 PolarHBondContact O-N 3.36Å; T33-Q35 VanDerWaalsContact C-N 3.29Å; T33-Q35 PolarHBondContact O-N 2.88Å
34	A	35.3	Very low	33.7	Very low	70 Å²	70	138.2 Å²	138.2	58%	0.579	72%	0.716	S	S	*	*	H	α-helix	trans	-70.6	-19	-178.3	0	0	0	0	0	114.3
35	Q	32.5	Very low	33.3	Very low	154 Å²	154	142 Å²	142	72%	0.72	72%	0.722	S	S	*	*	H	α-helix	trans	-86.4	-33.1	178.7	-71.7	-174.7	-28.5	0	0	113	T33 V37 R38	T33-Q35 VanDerWaalsContact C-N 3.29Å; T33-Q35 PolarHBondContact O-N 2.88Å; Q35-V37 PolarHBondContact O-N 3.4Å; Q35-R38 PolarHBondContact O-N 3.26Å
36	A	34.6	Very low	33.1	Very low	63 Å²	63	143.3 Å²	143.3	52%	0.521	73%	0.73	S	S	.	*	H	α-helix	trans	-61.5	-43	178.3	0	0	0	0	0	112.5	R38 G39	A36-R38 PolarHBondContact O-N 2.83Å; A36-G39 PolarHBondContact O-N 3.44Å
37	V	34.4	Very low	33	Very low	94 Å²	94	145.3 Å²	145.3	57%	0.57	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-22	-178.5	-177.8	0	0	0	0	112.7	Q35	Q35-V37 PolarHBondContact O-N 3.4Å
38	R	30.7	Very low	32.8	Very low	230 Å²	230	143.8 Å²	143.8	87%	0.868	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-4.4	-173.8	-149.6	171	-171.2	158.4	3.4	114.3	Q35 A36	Q35-R38 PolarHBondContact O-N 3.26Å; A36-R38 PolarHBondContact O-N 2.83Å
39	G	32.5	Very low	32.6	Very low	63 Å²	63	140.4 Å²	140.4	65%	0.649	74%	0.738	S	S	*	*	S	Bend	trans	-107.3	-3	-173.2	0	0	0	0	0	116.5	A36	A36-G39 PolarHBondContact O-N 3.44Å
40	Q	33.5	Very low	32.4	Very low	172 Å²	172	139.4 Å²	139.4	80%	0.804	74%	0.743	S	S	*	*	S	Bend	trans	-113	5.1	-167.7	-65.8	-172.5	-41.1	0	0	115.4
41	F	29.8	Very low	32	Very low	189 Å²	189	137.3 Å²	137.3	83%	0.829	75%	0.75	S	S	*	*	S	Bend	trans	-113	34.8	-175.6	-91.4	-84.1	0	0	0	113.8
42	M	30	Very low	32	Very low	171 Å²	171	139.2 Å²	139.2	84%	0.842	75%	0.753	S	S	*	*	S	Bend	trans	-135.3	9.6	-172.4	-86	-71.3	173	0	0	116
43	H	29.5	Very low	31.8	Very low	191 Å²	191	141.7 Å²	141.7	88%	0.884	76%	0.76	S	S	*	*			trans	-141.4	76.4	179	-86.6	-5.6	0	0	0	112.7
44	Q	27.8	Very low	31.3	Very low	199 Å²	199	144.5 Å²	144.5	93%	0.93	77%	0.772	S	S	*	*			trans	-154.2	43.7	153.4	-139.6	164.1	16.1	0	0	114.3
45	E	25.9	Very low	31.2	Very low	182 Å²	182	149.2 Å²	149.2	85%	0.85	79%	0.787	S	S	*	*			trans	-110.3	154.5	162.6	-68.3	-171.9	127	0	0	110
46	T	29.8	Very low	30.9	Very low	122 Å²	122	149.6 Å²	149.6	75%	0.748	79%	0.794	S	S	*	*			trans	53.4	100.9	174.2	63.9	0	0	0	0	118
47	N	32.1	Very low	31	Very low	161 Å²	161	150.7 Å²	150.7	86%	0.861	80%	0.803	S	S	*	*				159.5	99.5	114.4	-78.1	-35.7	0	0	0	111.8
48	A	27.7	Very low	30.8	Very low	88 Å²	88	155.4 Å²	155.4	73%	0.727	82%	0.818	S	S	*	*			trans	-89.1	156.4	151.5	0	0	0	0	0	109.1
49	N	32.3	Very low	30.8	Very low	156 Å²	156	149.7 Å²	149.7	83%	0.834	81%	0.814	S	S	*	*			trans	100.5	85.4	177.6	-57.2	-17.4	0	0	0	116.9
50	T	33.1	Very low	30.5	Very low	135 Å²	135	153.1 Å²	153.1	83%	0.828	82%	0.822	S	S	*	*			trans	-164.1	115.5	142.4	-2.7	0	0	0	0	110.5
51	P	28.6	Very low	30.3	Very low	125 Å²	125	156 Å²	156	81%	0.812	83%	0.827	S	S	*	*			trans	-102	121.1	175.8	34.3	-27.4	0	0	0	111.7
52	I	33.9	Very low	30.3	Very low	141 Å²	141	151.5 Å²	151.5	72%	0.723	82%	0.819	S	S	*	*			trans	-136.7	107.2	170.9	-61.2	-175.9	0	0	0	111
53	E	33.5	Very low	30.1	Very low	182 Å²	182	148.4 Å²	148.4	85%	0.85	81%	0.814	S	S	*	*			trans	47.6	131.3	139.3	-55.5	-174.7	122.2	0	0	123.1
54	N	29.8	Very low	30.2	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	81%	0.814	S	S	*	*			trans	-33	148.6	160	-55.4	-46.6	0	0	0	116.5
55	L	32.9	Very low	30.3	Very low	169 Å²	169	142 Å²	142	89%	0.885	81%	0.807	S	S	*	*				-152.8	105.8	127.3	-142.6	77.5	0	0	0	112.6
56	D	27.5	Very low	30.6	Very low	163 Å²	163	140.2 Å²	140.2	87%	0.872	81%	0.808	S	S	*	*			trans	-75.3	129.1	162.4	-82.2	-54.5	0	0	0	110.2
57	A	35.1	Very low	30.7	Very low	86 Å²	86	138.7 Å²	138.7	71%	0.711	80%	0.803	S	S	*	*			trans	-156.4	110	164.4	0	0	0	0	0	112.4
58	H	30.3	Very low	30.8	Very low	193 Å²	193	139.3 Å²	139.3	89%	0.894	81%	0.806	S	S	*	*			trans	-65.8	141.7	163	-67.4	-96.9	0	0	0	110.7
59	S	30.8	Very low	31	Very low	110 Å²	110	138 Å²	138	77%	0.769	80%	0.801	S	S	*	*			trans	-158.9	106.2	140.9	43	0	0	0	0	112.8
60	T	26.2	Very low	31.2	Very low	135 Å²	135	138 Å²	138	83%	0.828	80%	0.801	S	S	*	*			trans	-77.1	133.2	154.6	-51.1	0	0	0	0	107.9
61	Y	30.4	Very low	31.4	Very low	231 Å²	231	138.9 Å²	138.9	91%	0.906	80%	0.795	S	S	*	*			trans	-143.7	144.6	159.3	-113.6	-79.5	0	0	0	112.2
62	S	28.9	Very low	31.7	Very low	96 Å²	96	140 Å²	140	67%	0.671	79%	0.793	S	S	*	*			trans	-114.4	148.3	-173.6	-171.3	0	0	0	0	111.9
63	S	26.1	Very low	31.9	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	80%	0.796	S	S	*	*			trans	29.2	120.8	147.1	62.8	0	0	0	0	120.3
64	S	31.9	Very low	31.8	Very low	126 Å²	126	138.5 Å²	138.5	88%	0.881	80%	0.795	S	S	*	*			trans	-149.3	138.6	142.4	56.9	0	0	0	0	111.5
65	V	29.2	Very low	32.1	Very low	129 Å²	129	136.3 Å²	136.3	78%	0.782	79%	0.789	S	S	*	*			trans	-95.2	142.2	-175.5	173.4	0	0	0	0	111.2
66	V	33.4	Very low	32.2	Very low	145 Å²	145	135 Å²	135	88%	0.879	79%	0.788	S	S	*	*			trans	-137.1	147.1	149.6	-175.8	0	0	0	0	107.9
67	S	30.4	Very low	32.4	Very low	90 Å²	90	130.6 Å²	130.6	63%	0.629	78%	0.781	S	S	*	*			trans	-128.6	148	177.3	-63.1	0	0	0	0	110.5
68	D	35.8	Very low	32.4	Very low	175 Å²	175	136.4 Å²	136.4	94%	0.936	79%	0.79	S	S	*	*			trans	174.9	148.6	148.9	-89.6	-23	0	0	0	108.8
69	G	30.7	Very low	32.5	Very low	60 Å²	60	136.6 Å²	136.6	62%	0.619	79%	0.788	S	S	*	*			cis	153.3	64.4	-6.2	0	0	0	0	0	115.1
70	N	37.1	Very low	32.8	Very low	155 Å²	155	137.3 Å²	137.3	83%	0.829	79%	0.791	S	S	*	*			trans	-179	158.3	168.3	-94.3	-39.7	0	0	0	111.4
71	H	37.3	Very low	33.1	Very low	154 Å²	154	135.4 Å²	135.4	71%	0.713	78%	0.783	S	S	*	*			cis	-172	143.8	-43.7	-133.4	-37.6	0	0	0	108.8
72	I	35.6	Very low	33.2	Very low	150 Å²	150	134.3 Å²	134.3	77%	0.769	78%	0.778	S	S	*	*			trans	71.6	137.5	158.6	-56.2	168.2	0	0	0	115.1
73	S	36.7	Very low	33.5	Very low	111 Å²	111	137.9 Å²	137.9	78%	0.776	79%	0.789	S	S	*	*			cis	-155.3	161.4	-1.6	43	0	0	0	0	114.1
74	H	31.2	Very low	33.7	Very low	180 Å²	180	139.1 Å²	139.1	83%	0.833	79%	0.788	S	S	*	*			trans	-73.1	-176.1	166.4	-87.3	-68.9	0	0	0	114.4
75	P	37.6	Very low	33.8	Very low	99 Å²	99	138.6 Å²	138.6	64%	0.643	78%	0.784	S	S	*	*			cis	-139.2	178.2	-20	28.5	-5.5	0	0	0	116.9
76	T	33.3	Very low	34.1	Very low	141 Å²	141	136.5 Å²	136.5	87%	0.865	78%	0.775	S	S	*	*			trans	59.1	129.3	146.5	46.7	0	0	0	0	123.2
77	G	32.3	Very low	34.2	Very low	71 Å²	71	136.8 Å²	136.8	73%	0.732	77%	0.766	S	S	*	*			trans	166.7	104.3	149.3	0	0	0	0	0	120.4
78	K	35.7	Very low	34.4	Very low	209 Å²	209	139.8 Å²	139.8	91%	0.909	78%	0.775	S	S	*	*			trans	69.7	132.5	148.1	-58.6	-179.8	-179.8	177.6	0	122
79	K	31.3	Very low	34.4	Very low	196 Å²	196	137.8 Å²	137.8	85%	0.852	76%	0.759	S	S	*	*			trans	-72.9	164.2	152.3	-93.9	-175.3	173.4	-177.9	0	111.2
80	P	38.3	Very low	34.4	Very low	126 Å²	126	143.1 Å²	143.1	82%	0.818	77%	0.768	S	S	*	*				-125.1	175.3	126.6	37.1	-30.6	0	0	0	113.1
81	S	31.3	Very low	34.3	Very low	94 Å²	94	140.3 Å²	140.3	66%	0.657	77%	0.766	S	S	*	*			trans	-148.6	176.9	176	56.9	0	0	0	0	110.1
82	Y	32.4	Very low	33.9	Very low	208 Å²	208	138.2 Å²	138.2	82%	0.816	77%	0.769	S	S	*	*			trans	76.9	123.3	-174.9	-68.2	-86.3	0	0	0	116.8
83	L	36.4	Very low	34.1	Very low	171 Å²	171	136 Å²	136	90%	0.895	77%	0.765	S	S	*	*				-147.3	145.8	99.2	-104	163.3	0	0	0	109.9
84	D	28.8	Very low	33.9	Very low	132 Å²	132	141.7 Å²	141.7	71%	0.706	77%	0.769	S	S	*	*			trans	-136.5	148.6	176.6	-180	19.4	0	0	0	107.3
85	S	35.7	Very low	33.9	Very low	114 Å²	114	138 Å²	138	80%	0.797	76%	0.763	S	S	*	*			trans	-166.8	127.8	179.6	-78.6	0	0	0	0	111.2
86	S	34.1	Very low	33.8	Very low	86 Å²	86	141.5 Å²	141.5	60%	0.601	77%	0.771	S	S	*	*			trans	-120.7	177.9	-167.4	52.1	0	0	0	0	114.2
87	H	35.2	Very low	33.8	Very low	150 Å²	150	142.5 Å²	142.5	69%	0.694	77%	0.771	S	S	*	*			trans	77.6	129.5	173.2	-47.9	-77.1	0	0	0	115.8
88	L	35.2	Very low	34.1	Very low	154 Å²	154	144.9 Å²	144.9	81%	0.806	77%	0.774	S	S	*	*				-150.8	131.7	58.3	-79.7	153	0	0	0	110.9
89	H	36.5	Very low	33.9	Very low	133 Å²	133	140 Å²	140	62%	0.616	77%	0.766	S	S	*	*				55.3	107.6	99.2	-75.5	-92.4	0	0	0	114.8
90	E	30.7	Very low	33.8	Very low	171 Å²	171	135.4 Å²	135.4	80%	0.799	76%	0.759	S	S	*	*				94	134.2	83.7	-174.6	165.3	-152.9	0	0	110.6
91	A	35.1	Very low	33.6	Very low	96 Å²	96	139.6 Å²	139.6	79%	0.793	77%	0.765	S	S	*	*			cis	-144.5	-165.5	20.1	0	0	0	0	0	114.3
92	S	27.8	Very low	33.5	Very low	110 Å²	110	141.4 Å²	141.4	77%	0.769	77%	0.771	S	S	*	*			trans	-150.4	-177.4	174.6	-153.1	0	0	0	0	108.3
93	P	41.2	Very low	33.3	Very low	105 Å²	105	134.7 Å²	134.7	68%	0.682	77%	0.765	S	S	*	*			cis	-123.8	179.8	-34.5	24.8	-3.6	0	0	0	112.7
94	R	31.8	Very low	33	Very low	230 Å²	230	135.8 Å²	135.8	87%	0.868	77%	0.766	S	S	*	*				151.8	130.2	125.7	-87.1	-177.2	162.1	174.2	-4.7	118.2
95	S	31.6	Very low	32.9	Very low	102 Å²	102	134.7 Å²	134.7	71%	0.713	77%	0.769	S	S	*	*				76.4	153.4	129.7	72.2	0	0	0	0	124.3
96	Q	35.2	Very low	32.7	Very low	172 Å²	172	135.7 Å²	135.7	80%	0.804	76%	0.764	S	S	*	*			trans	92.3	80.8	160.8	-61.4	-172.9	-14.8	0	0	119.4
97	D	34.3	Very low	32.3	Very low	162 Å²	162	139.4 Å²	139.4	87%	0.866	77%	0.771	S	S	*	*				55.4	155.8	114.2	-64.3	-23.8	0	0	0	123
98	P	37.6	Very low	32.1	Very low	121 Å²	121	142.8 Å²	142.8	79%	0.786	78%	0.78	S	S	*	*			trans	-116.2	153.5	-155.2	40.2	-29.4	0	0	0	116
99	S	32.4	Very low	31.9	Very low	107 Å²	107	141.1 Å²	141.1	75%	0.748	78%	0.776	S	S	*	*			trans	-158.3	125.6	157.9	62.2	0	0	0	0	113.9
100	S	29	Very low	31.5	Very low	100 Å²	100	144 Å²	144	70%	0.699	79%	0.789	S	S	*	*			trans	35.1	123.8	146.2	61.3	0	0	0	0	121.3
101	F	32.5	Very low	31.6	Very low	214 Å²	214	139.8 Å²	139.8	94%	0.939	79%	0.792	S	S	*	*			trans	-139.1	159	132.6	-131.3	-91.3	0	0	0	110.8
102	V	29.8	Very low	31.2	Very low	132 Å²	132	143.5 Å²	143.5	80%	0.8	80%	0.797	S	S	*	*			trans	-131.4	146.1	-167.6	174.6	0	0	0	0	110.5
103	G	27.8	Very low	31.5	Very low	67 Å²	67	144 Å²	144	69%	0.691	80%	0.801	S	S	*	*			trans	108.9	148.1	177.2	0	0	0	0	0	112.7
104	E	31.5	Very low	31.1	Very low	193 Å²	193	147.1 Å²	147.1	90%	0.902	80%	0.804	S	S	*	*			cis	-139.9	162.3	-0.6	-78.2	-174.3	109.9	0	0	111.5
105	S	25.7	Very low	31.2	Very low	110 Å²	110	144.7 Å²	144.7	77%	0.769	80%	0.802	S	S	*	*			trans	-99.8	128.5	174.3	163	0	0	0	0	110.3
106	I	32.2	Very low	31.3	Very low	135 Å²	135	145.5 Å²	145.5	69%	0.692	81%	0.808	S	S	*	*			trans	-113.9	115.2	171.8	-61	-179.6	0	0	0	109.6	Y108	I106-Y108 HydrophobicContact CG2-CD2 4.17Å; I106-Y108 HydrophobicContact CG2-CE2 3.71Å
107	Q	26.1	Very low	31.2	Very low	163 Å²	163	145.9 Å²	145.9	76%	0.762	81%	0.809	S	S	*	*			trans	-82.5	148.9	167.1	-61.8	176.9	-58.8	0	0	110
108	Y	30.1	Very low	31.4	Very low	222 Å²	222	142.7 Å²	142.7	87%	0.871	80%	0.798	S	S	*	*			trans	-118.4	116.8	158.6	-82.8	-79.4	0	0	0	109.7	I106	I106-Y108 HydrophobicContact CG2-CD2 4.17Å; I106-Y108 HydrophobicContact CG2-CE2 3.71Å
109	T	31.2	Very low	31.3	Very low	119 Å²	119	146.4 Å²	146.4	73%	0.73	80%	0.804	S	S	*	*			trans	-98.5	162.1	-177.6	46.7	0	0	0	0	111.9
110	H	28.3	Very low	31.3	Very low	193 Å²	193	149.7 Å²	149.7	89%	0.894	81%	0.805	S	S	*	*			trans	-56	140.3	179.3	-76.5	-100.2	0	0	0	113.7
111	G	32.5	Very low	31.7	Very low	82 Å²	82	152.6 Å²	152.6	85%	0.845	81%	0.813	S	S	*	*			trans	-121.1	111.6	165.8	0	0	0	0	0	111.6
112	L	27.2	Very low	31.6	Very low	175 Å²	175	148.7 Å²	148.7	92%	0.916	80%	0.802	S	S	*	*			trans	-95.9	142.6	170.7	-92.5	160.2	0	0	0	110.4
113	S	33.7	Very low	31.7	Very low	121 Å²	121	150.7 Å²	150.7	85%	0.846	81%	0.806	S	S	*	*			trans	-142.2	164.6	162	-163.7	0	0	0	0	110.6
114	K	32.2	Very low	31.7	Very low	170 Å²	170	158.6 Å²	158.6	74%	0.739	82%	0.815	S	S	*	*			trans	-129.6	164.8	-156.1	-62.2	-178.4	176.1	-179.1	0	115.2
115	H	34.8	Very low	31.8	Very low	178 Å²	178	157.8 Å²	157.8	82%	0.824	82%	0.815	S	S	*	*			trans	72.4	140	164	-58.4	-69.1	0	0	0	115.1
116	S	33.7	Very low	32.1	Very low	120 Å²	120	157.3 Å²	157.3	84%	0.839	81%	0.812	S	S	*	*			cis	-137.9	176.4	30.9	51.2	0	0	0	0	116
117	E	32.2	Very low	31.8	Very low	180 Å²	180	155.8 Å²	155.8	84%	0.841	81%	0.813	S	S	*	*			trans	-139	179.2	-179.1	-128.3	-157.3	139.1	0	0	107.1
118	P	38.8	Very low	32.2	Very low	95 Å²	95	156.8 Å²	156.8	62%	0.617	82%	0.817	S	S	*	*			cis	-132.8	175.8	-20.3	40.5	-26.4	0	0	0	113.5
119	Q	35.6	Very low	32.2	Very low	199 Å²	199	153 Å²	153	93%	0.93	81%	0.812	S	S	*	*				-162.6	162.8	127.5	-112.9	-177.8	23.7	0	0	113.1
120	K	33.4	Very low	32.3	Very low	175 Å²	175	153.1 Å²	153.1	76%	0.761	82%	0.818	S	S	*	*			trans	-104.5	152.9	-166.8	-60.2	172.7	178.6	174.8	0	112.5
121	N	36.6	Very low	32.3	Very low	162 Å²	162	150.5 Å²	150.5	87%	0.866	82%	0.816	S	S	*	*				-157.3	157.2	120.1	-101.6	-30.9	0	0	0	111.7
122	N	29.5	Very low	32.2	Very low	132 Å²	132	151.3 Å²	151.3	71%	0.706	81%	0.808	S	S	*	*			trans	-108.9	145.4	-165.9	-25.6	-89.6	0	0	0	112.9
123	I	33.5	Very low	32.3	Very low	174 Å²	174	149.9 Å²	149.9	89%	0.892	80%	0.801	S	S	*	*			trans	-132.4	142.2	138.4	-63.1	-173.8	0	0	0	107.6
124	R	27.4	Very low	32.1	Very low	233 Å²	233	150.6 Å²	150.6	88%	0.879	80%	0.801	S	S	*	*			trans	-105.7	140.5	175	-74.4	173.7	166.8	170.9	-6.9	110.3
125	I	32.6	Very low	32.1	Very low	175 Å²	175	146.6 Å²	146.6	90%	0.897	80%	0.799	S	S	*	*				-134.2	146.5	129	-61.8	-172.2	0	0	0	106.7
126	S	32	Very low	31.9	Very low	101 Å²	101	146.8 Å²	146.8	71%	0.706	80%	0.797	S	S	*	*			trans	-106.8	141.1	-171.6	50.4	0	0	0	0	113.5
127	S	27.2	Very low	31.9	Very low	102 Å²	102	148.4 Å²	148.4	71%	0.713	79%	0.792	S	S	*	*			trans	-61	153.1	161.1	51.4	0	0	0	0	112.4
128	H	34.7	Very low	32	Very low	184 Å²	184	147.9 Å²	147.9	85%	0.852	79%	0.789	S	S	*	*			trans	-155.1	125.9	149.3	-110.3	-69.4	0	0	0	111.8
129	D	29.5	Very low	31.8	Very low	142 Å²	142	149.1 Å²	149.1	76%	0.759	79%	0.79	S	S	*	*			trans	-71.3	158.2	169.1	-45	-98	0	0	0	111.7
130	S	33.3	Very low	32.1	Very low	123 Å²	123	145.1 Å²	145.1	86%	0.86	78%	0.782	S	S	*	*				-179.7	150.8	115.2	38.5	0	0	0	0	113.2
131	V	28.4	Very low	32.1	Very low	138 Å²	138	143 Å²	143	84%	0.836	78%	0.778	S	S	*	*			trans	-100.8	134.5	172.6	172.9	0	0	0	0	108.7
132	S	30.3	Very low	32.1	Very low	98 Å²	98	142.4 Å²	142.4	69%	0.685	78%	0.78	S	S	*	*				164.4	138.1	128.7	53.1	0	0	0	0	116.9
133	N	29.6	Very low	32.1	Very low	145 Å²	145	146 Å²	146	78%	0.775	79%	0.786	S	S	*	*			trans	60	114.7	131.6	-62.6	-15.6	0	0	0	124.8
134	V	29.3	Very low	32	Very low	137 Å²	137	144.7 Å²	144.7	83%	0.83	78%	0.779	S	S	*	*				86.3	146.5	116.9	170.7	0	0	0	0	121.1
135	A	31.3	Very low	32.2	Very low	86 Å²	86	140.4 Å²	140.4	71%	0.711	77%	0.773	S	S	*	*			trans	88.5	82.4	159.9	0	0	0	0	0	121.5
136	K	31.8	Very low	32.2	Very low	181 Å²	181	139.8 Å²	139.8	79%	0.787	77%	0.767	S	S	*	*				23.6	150.3	122.4	-64.3	-175.1	171.4	-176.8	0	122.4
137	H	33.6	Very low	32.2	Very low	155 Å²	155	140.5 Å²	140.5	72%	0.718	77%	0.767	S	S	*	*			trans	79	146.4	156.2	-66.2	-50	0	0	0	116.7
138	H	34.7	Very low	32.4	Very low	169 Å²	169	144.7 Å²	144.7	78%	0.782	78%	0.775	S	S	*	*			cis	-147	167.4	7.5	-132.8	68.7	0	0	0	110.7
139	N	34.6	Very low	32.4	Very low	120 Å²	120	139.3 Å²	139.3	64%	0.642	77%	0.769	S	S	*	*			trans	-123.2	155.2	168	-163.4	21.4	0	0	0	107.3
140	P	41.4	Very low	32.5	Very low	116 Å²	116	137.6 Å²	137.6	75%	0.753	77%	0.769	S	S	*	*				-151.9	170.1	82.3	39.8	-19.5	0	0	0	117.9
141	N	33	Very low	32.5	Very low	130 Å²	130	138.3 Å²	138.3	70%	0.695	76%	0.763	S	S	*	*			trans	-44.9	155.8	176.2	-45.6	-16.3	0	0	0	118.5
142	V	35.6	Very low	33	Very low	149 Å²	149	139.3 Å²	139.3	90%	0.903	76%	0.758	S	S	*	*			trans	-130.5	162.3	147.1	-178.9	0	0	0	0	108.3
143	Y	29.9	Very low	33.3	Very low	209 Å²	209	140.9 Å²	140.9	82%	0.82	76%	0.759	S	S	*	*			trans	-134.4	-173.9	-163.1	-150.8	-92.3	0	0	0	110.2
144	I	32.4	Very low	33.6	Very low	146 Å²	146	138 Å²	138	75%	0.749	75%	0.75	S	S	*	*			trans	80.8	135.5	165.9	-58.2	168.6	0	0	0	114.3
145	D	31.4	Very low	33.8	Very low	143 Å²	143	136.2 Å²	136.2	77%	0.765	74%	0.743	S	S	*	*			cis	-149	-175.7	-3.1	-135.9	-27.2	0	0	0	114.8
146	E	31.7	Very low	34.2	Very low	162 Å²	162	140.4 Å²	140.4	76%	0.757	75%	0.752	S	S	*	*			trans	-76.5	171.9	179.1	-59.7	-178.7	154.1	0	0	117.9
147	T	31.9	Very low	34.3	Very low	116 Å²	116	136.7 Å²	136.7	71%	0.712	74%	0.744	S	S	*	*			trans	117.8	131	138.4	68.6	0	0	0	0	122.7
148	H	32.7	Very low	34.5	Very low	189 Å²	189	137.2 Å²	137.2	88%	0.875	75%	0.752	S	S	*	*			trans	65.3	123.5	142.6	-75.4	-58.2	0	0	0	125.6
149	G	33.2	Very low	34.6	Very low	72 Å²	72	136.6 Å²	136.6	74%	0.742	75%	0.75	S	S	*	*			trans	97.3	156.3	142	0	0	0	0	0	117.6
150	S	32.8	Very low	34.7	Very low	106 Å²	106	136.3 Å²	136.3	74%	0.741	75%	0.748	S	S	*	*			cis	-179.2	141.4	-26.8	46.5	0	0	0	0	109.8
151	N	33.1	Very low	34.7	Very low	138 Å²	138	138.4 Å²	138.4	74%	0.738	75%	0.748	S	S	*	*			trans	41.7	125.8	156.2	-57.5	-0.8	0	0	0	121.5
152	H	39.3	Very low	34.9	Very low	159 Å²	159	137.7 Å²	137.7	74%	0.736	74%	0.744	S	S	*	*				174.1	128.4	109.2	-94.5	-63.6	0	0	0	109.6
153	D	35.4	Very low	35	Very low	131 Å²	131	138.5 Å²	138.5	70%	0.701	74%	0.738	S	S	*	*				65.2	139.4	97.4	-89.9	-56	0	0	0	115.7
154	S	35.4	Very low	35.4	Very low	85 Å²	85	135.2 Å²	135.2	59%	0.594	74%	0.74	S	S	*	*			cis	-160	157.9	3.5	-144.2	0	0	0	0	113.8
155	S	35.2	Very low	35.5	Very low	99 Å²	99	131.4 Å²	131.4	69%	0.692	74%	0.736	S	S	*	*			trans	41.9	131.1	139.2	-54	0	0	0	0	123.2
156	I	38.6	Very low	36.2	Very low	173 Å²	173	131 Å²	131	89%	0.887	74%	0.741	S	S	*	*				-161.7	152.9	112.7	-100.8	159.5	0	0	0	110.3
157	V	33.9	Very low	36.5	Very low	104 Å²	104	128.3 Å²	128.3	63%	0.63	74%	0.74	S	S	*	*			trans	-118.4	153.4	-167.8	167.8	0	0	0	0	111.1
158	N	38.2	Very low	36.9	Very low	165 Å²	165	130.4 Å²	130.4	88%	0.882	74%	0.742	S	S	*	*			trans	-157	153.8	140.9	-99.4	-32.3	0	0	0	113.6
159	Q	37.3	Very low	37.1	Very low	156 Å²	156	127.4 Å²	127.4	73%	0.729	73%	0.732	S	S	*	*			trans	-106.7	177.6	-169.6	-75.1	171.9	-96.6	0	0	110.9
160	D	36.8	Very low	37.2	Very low	115 Å²	115	129.4 Å²	129.4	62%	0.615	73%	0.73	S	S	*	*			cis	-161.1	-171.5	-3.3	-126.5	-38.3	0	0	0	110.6
161	H	40.1	Very low	37.1	Very low	160 Å²	160	135 Å²	135	74%	0.741	74%	0.736	S	S	*	*			trans	80.5	138.8	161.1	-64	-74.2	0	0	0	118.5
162	D	38.8	Very low	36.9	Very low	115 Å²	115	134.5 Å²	134.5	62%	0.615	74%	0.739	S	S	*	*			cis	-154.5	173.5	-10.2	-134	-31.9	0	0	0	115.4
163	Q	37.5	Very low	36.4	Very low	166 Å²	166	131.8 Å²	131.8	78%	0.776	74%	0.737	S	S	*	*			trans	-61.2	164.3	-175.3	-52.7	147.3	71.9	0	0	114.9
164	T	37.4	Very low	36.3	Very low	140 Å²	140	134.4 Å²	134.4	86%	0.859	75%	0.748	S	S	*	*			cis	-141.6	-166.4	21.8	59.8	0	0	0	0	109.8
165	G	35.8	Very low	36.1	Very low	65 Å²	65	139.3 Å²	139.3	67%	0.67	76%	0.761	S	S	*	*			cis	-176.5	176.2	7.6	0	0	0	0	0	111.8
166	P	44.6	Very low	36.1	Very low	135 Å²	135	144.9 Å²	144.9	88%	0.877	77%	0.773	S	S	*	*			trans	-132.5	162.8	-149.3	42.3	-28.9	0	0	0	119.7
167	S	38.4	Very low	35.6	Very low	105 Å²	105	145.6 Å²	145.6	73%	0.734	77%	0.769	S	S	*	*			trans	-170.4	127.8	140	-163.1	0	0	0	0	114.4
168	H	39.8	Very low	35.6	Very low	160 Å²	160	147 Å²	147	74%	0.741	78%	0.778	S	S	*	*			trans	29.4	146	141.8	-70.1	-86.6	0	0	0	122.9
169	D	37.5	Very low	35.3	Very low	126 Å²	126	144 Å²	144	67%	0.674	77%	0.766	S	S	*	*			cis	-148	145.3	11.6	-96.6	-38.4	0	0	0	109.7
170	V	35.2	Very low	35.5	Very low	115 Å²	115	144 Å²	144	70%	0.697	77%	0.766	S	S	*	*				68.4	130.7	72.5	177.8	0	0	0	0	112.9
171	Y	31	Very low	35.4	Very low	223 Å²	223	145 Å²	145	88%	0.875	77%	0.771	S	S	*	*			cis	-143.9	165.9	28.7	-144.2	-76.1	0	0	0	113.4
172	T	29.3	Very low	35	Very low	128 Å²	128	141.3 Å²	141.3	79%	0.785	77%	0.769	S	S	*	*			trans	-112.3	157.7	-175.2	-52.2	0	0	0	0	115.7
173	S	28.3	Very low	34.8	Very low	102 Å²	102	144.4 Å²	144.4	71%	0.713	78%	0.779	S	S	*	*			trans	-50.1	154	176	179.4	0	0	0	0	117.5
174	M	34.4	Very low	34.5	Very low	185 Å²	185	144.6 Å²	144.6	91%	0.911	78%	0.78	S	S	*	*			trans	-141.7	135.2	154.7	-80.9	-149.8	-66.3	0	0	113.7
175	H	30.8	Very low	34.5	Very low	188 Å²	188	145.4 Å²	145.4	87%	0.87	78%	0.777	S	S	*	*			trans	-104.5	143.8	161.6	-101.2	-21.3	0	0	0	109.9
176	K	33.8	Very low	34.5	Very low	217 Å²	217	147.9 Å²	147.9	94%	0.943	78%	0.782	S	S	*	*			trans	-154.5	164.3	152.4	-125.5	168.4	-174.1	173.2	0	113.4
177	K	29	Very low	34.1	Very low	187 Å²	187	147.4 Å²	147.4	81%	0.813	78%	0.779	S	S	*	*			trans	-135.5	146.7	-158.7	177.3	-177.1	-178.2	178.5	0	109.9
178	T	33.5	Very low	34.1	Very low	133 Å²	133	146.8 Å²	146.8	82%	0.816	78%	0.78	S	S	*	*			trans	-146.3	170.9	170.4	-48.9	0	0	0	0	109.8
179	T	33.2	Very low	34.2	Very low	104 Å²	104	145.1 Å²	145.1	64%	0.638	78%	0.784	S	S	*	*			trans	-139.5	-169.5	-140.5	-15.7	0	0	0	0	113.6
180	H	39.6	Very low	34	Very low	154 Å²	154	146.3 Å²	146.3	71%	0.713	79%	0.79	S	S	*	*			trans	88	139.9	168.7	-55.3	-69.7	0	0	0	115.8
181	N	34.7	Very low	33.9	Very low	137 Å²	137	147.8 Å²	147.8	73%	0.733	79%	0.794	S	S	*	*			cis	-147.5	144.5	-7	-94.4	-18.6	0	0	0	106.7
182	A	33	Very low	34.2	Very low	83 Å²	83	142.3 Å²	142.3	69%	0.686	79%	0.786	S	S	*	*			cis	97.5	144.1	48.4	0	0	0	0	0	113.5
183	Q	33.6	Very low	34.2	Very low	179 Å²	179	143.6 Å²	143.6	84%	0.836	79%	0.787	S	S	*	*			trans	74.7	141.5	-179.9	-60.9	178.3	-21.3	0	0	117
184	Q	32.2	Very low	34.7	Very low	171 Å²	171	147.4 Å²	147.4	80%	0.799	79%	0.793	S	S	*	*			cis	-161.9	159.3	-23.3	-130.9	162.6	-27.3	0	0	110.7
185	I	36.7	Very low	34.6	Very low	156 Å²	156	144.1 Å²	144.1	80%	0.8	78%	0.779	S	S	*	*			trans	-110.2	147.5	-178.2	-43.3	170.4	0	0	0	110.5
186	P	37.1	Very low	34.9	Very low	117 Å²	117	143.3 Å²	143.3	76%	0.76	78%	0.778	S	S	*	*				-135.2	169.5	129.7	20.7	0.5	0	0	0	114.1
187	P	35.5	Very low	34.9	Very low	125 Å²	125	137.6 Å²	137.6	81%	0.812	77%	0.765	S	S	*	*			trans	-109.6	-176.6	-151.7	41.3	-35.4	0	0	0	116.9
188	A	37.2	Very low	35.2	Very low	93 Å²	93	140.9 Å²	140.9	77%	0.769	77%	0.772	S	S	*	*			trans	-87.3	161.6	-173.8	0	0	0	0	0	115.7
189	P	42.8	Very low	35.2	Very low	125 Å²	125	138 Å²	138	81%	0.812	77%	0.77	S	S	*	*			trans	-95.9	163.8	166.8	37.6	-32.9	0	0	0	113.6
190	N	32.3	Very low	35.2	Very low	151 Å²	151	142.5 Å²	142.5	81%	0.807	78%	0.783	S	S	*	*			trans	-120.2	171.9	-175.3	-89.1	-30.9	0	0	0	113.4
191	N	34	Very low	34.9	Very low	146 Å²	146	144 Å²	144	78%	0.781	79%	0.791	S	S	*	*			trans	77.5	160.8	153	-71.3	-6.1	0	0	0	119.9
192	P	37.4	Very low	35	Very low	108 Å²	108	142.4 Å²	142.4	70%	0.701	79%	0.788	S	S	*	*			cis	-145.2	172.7	-45.3	41.9	-25.2	0	0	0	116.6
193	L	29.7	Very low	35.3	Very low	154 Å²	154	144 Å²	144	81%	0.806	79%	0.794	S	S	*	*			trans	20.1	134.6	152.5	-82.2	81.7	0	0	0	124.5
194	H	37.4	Very low	35.5	Very low	183 Å²	183	141.8 Å²	141.8	85%	0.847	80%	0.795	S	S	*	*				-176.5	117.9	118.7	-101.5	-75.3	0	0	0	107.2
195	D	33.3	Very low	35.5	Very low	116 Å²	116	137.4 Å²	137.4	62%	0.62	80%	0.796	S	S	*	*				76.3	113.1	55.2	-172.7	37.9	0	0	0	116.4
196	M	36.1	Very low	35.3	Very low	170 Å²	170	133.5 Å²	133.5	84%	0.837	79%	0.794	S	S	*	*				-174.2	102.2	125.4	-96.7	-145	-65.3	0	0	115.4
197	S	35.6	Very low	35.1	Very low	97 Å²	97	136.9 Å²	136.9	68%	0.678	80%	0.8	S	S	*	*				58.6	137.3	127.6	-71.8	0	0	0	0	126.2
198	R	34.2	Very low	34.8	Very low	256 Å²	256	136.3 Å²	136.3	97%	0.966	80%	0.799	S	S	*	*			trans	84.3	127.5	169.2	-58.6	179.3	170.7	178.8	-3.3	116
199	G	33.2	Very low	34.6	Very low	74 Å²	74	140 Å²	140	76%	0.763	80%	0.8	S	S	*	*			cis	153.6	157.4	-2.1	0	0	0	0	0	110.6
200	Q	33.8	Very low	34.1	Very low	198 Å²	198	141 Å²	141	93%	0.925	80%	0.798	S	S	*	*			cis	-137.8	-105.7	0.7	-71.7	176.9	-124.3	0	0	112.8
201	Q	32.8	Very low	34.2	Very low	185 Å²	185	142.5 Å²	142.5	86%	0.864	80%	0.798	S	S	*	*			trans	-170.2	179.8	-164	-115.2	-163.7	-20.1	0	0	111.5
202	P	37.1	Very low	33.9	Very low	104 Å²	104	141.8 Å²	141.8	68%	0.675	79%	0.792	S	S	*	*			cis	-134.2	180	-7.2	36.6	-17.1	0	0	0	116.4
203	S	38.4	Very low	33.8	Very low	116 Å²	116	148 Å²	148	81%	0.811	80%	0.803	S	S	*	*			trans	-128.5	164.5	161.7	-47.2	0	0	0	0	110.7
204	P	38	Very low	33.9	Very low	132 Å²	132	147 Å²	147	86%	0.857	79%	0.792	S	S	*	*			trans	-139.1	155.7	139.4	38.1	-26.1	0	0	0	113.4
205	G	32.6	Very low	33.8	Very low	80 Å²	80	146.5 Å²	146.5	83%	0.825	80%	0.795	S	S	*	*			cis	148.4	107.2	-11.8	0	0	0	0	0	115
206	G	33.3	Very low	33.6	Very low	74 Å²	74	146.3 Å²	146.3	76%	0.763	79%	0.793	S	S	*	*			trans	99.7	156.4	157.4	0	0	0	0	0	117.5
207	Q	32.8	Very low	33.5	Very low	187 Å²	187	145.1 Å²	145.1	87%	0.874	80%	0.795	S	S	*	*			cis	-162.7	138.2	-18.5	-141.8	165	14.9	0	0	110.8
208	S	28.1	Very low	33.2	Very low	114 Å²	114	147.2 Å²	147.2	80%	0.797	80%	0.798	S	S	*	*			trans	-90.8	141.2	172.8	52	0	0	0	0	111.1
209	H	34.1	Very low	33.1	Very low	170 Å²	170	139 Å²	139	79%	0.787	77%	0.773	S	S	*	*			trans	-114.1	131.5	169.8	-113.5	-80.8	0	0	0	110.4
210	D	32.2	Very low	33.2	Very low	145 Å²	145	140.2 Å²	140.2	78%	0.775	77%	0.77	S	S	*	*			trans	-122.3	152.3	-178.4	-170.7	14.4	0	0	0	109.5
211	F	33.1	Very low	32.9	Very low	184 Å²	184	140.4 Å²	140.4	81%	0.807	76%	0.762	S	S	*	*			trans	-139.5	111.4	-179.2	-92.1	-76.3	0	0	0	110.9
212	M	29.4	Very low	32.9	Very low	130 Å²	130	139.4 Å²	139.4	64%	0.64	76%	0.762	S	S	*	*			trans	-66.8	148.1	177.1	-55.5	-174.4	79	0	0	112.3	K214	M212-K214 HydrophobicContact CB-CB 4.49Å; M212-K214 HydrophobicContact CE-CB 4.01Å; M212-K214 HydrophobicContact CE-CD 3.78Å; M212-K214 HydrophobicContact CE-CG 3.79Å; M212-K214 HydrophobicContact SD-CD 4.07Å
213	Y	34.4	Very low	32.6	Very low	240 Å²	240	139.1 Å²	139.1	94%	0.941	76%	0.763	S	S	*	*				-109.8	153.5	128.5	-113.3	-96.9	0	0	0	109.3
214	K	31	Very low	32.1	Very low	132 Å²	132	143 Å²	143	57%	0.574	77%	0.768	S	S	*	*			trans	-151.4	118.3	-158.1	-173.5	-175.3	-166.8	178.5	0	110.9	M212 I216	M212-K214 HydrophobicContact CB-CB 4.49Å; M212-K214 HydrophobicContact CE-CB 4.01Å; M212-K214 HydrophobicContact CE-CD 3.78Å; M212-K214 HydrophobicContact CE-CG 3.79Å; M212-K214 HydrophobicContact SD-CD 4.07Å; K214-I216 HydrophobicContact CG-CG1 4.33Å
215	D	35.9	Very low	31.7	Very low	172 Å²	172	140.6 Å²	140.6	92%	0.92	77%	0.767	S	S	*	*			trans	-136.4	153.5	160.7	-100.9	-48.9	0	0	0	110
216	I	29.4	Very low	31.4	Very low	112 Å²	112	146 Å²	146	57%	0.574	77%	0.771	S	S	*	*			trans	-135.4	128.5	-157.6	-55.3	169.6	0	0	0	111.1	K214 L218	K214-I216 HydrophobicContact CG-CG1 4.33Å; I216-L218 HydrophobicContact CG2-CD1 4.13Å
217	V	33.9	Very low	31.3	Very low	146 Å²	146	148.5 Å²	148.5	89%	0.885	77%	0.771	S	S	*	*			trans	-135.7	122.7	151.3	-177.4	0	0	0	0	109.7
218	L	30.2	Very low	31.1	Very low	141 Å²	141	145.6 Å²	145.6	74%	0.738	77%	0.768	S	S	*	*			trans	-90.1	170.6	171	-115.9	71.8	0	0	0	109.1	I216	I216-L218 HydrophobicContact CG2-CD1 4.13Å
219	D	31.4	Very low	31	Very low	83 Å²	83	144.1 Å²	144.1	44%	0.444	77%	0.771	S	S	.	*			cis	-160.1	157.7	-5.6	-171.9	13.3	0	0	0	102.9	R221	D219-R221 IonicContact OD1-NE 2.69Å; D219-R221 IonicContact OD2-CZ 3.41Å; D219-R221 IonicContact OD2-NE 2.68Å; D219-R221 PolarHBondContact OD2-NE 2.91Å; D219-R221 IonicContact OD2-NH2 3.42Å; D219-R221 PolarHBondContact OD2-NH2 2.97Å
220	S	34.2	Very low	30.8	Very low	100 Å²	100	141.3 Å²	141.3	70%	0.699	78%	0.777	S	S	*	*				170.5	105.5	90.7	-70.1	0	0	0	0	113
221	R	29.1	Very low	30.5	Very low	201 Å²	201	145.7 Å²	145.7	76%	0.758	78%	0.783	S	S	*	*				48.1	154.7	125.6	-54.2	170.9	-154.5	-144.4	4	122.7	D219	D219-R221 IonicContact OD1-NE 2.69Å; D219-R221 IonicContact OD2-CZ 3.41Å; D219-R221 IonicContact OD2-NE 2.68Å; D219-R221 PolarHBondContact OD2-NE 2.91Å; D219-R221 IonicContact OD2-NH2 3.42Å; D219-R221 PolarHBondContact OD2-NH2 2.97Å
222	L	31.9	Very low	30.3	Very low	165 Å²	165	143.3 Å²	143.3	86%	0.864	78%	0.777	S	S	*	*			trans	90.3	135.9	168.8	-53.6	166.9	0	0	0	115.8
223	S	31	Very low	30.5	Very low	98 Å²	98	144.4 Å²	144.4	69%	0.685	79%	0.786	S	S	*	*			cis	-164.1	143.1	-23.4	-114.2	0	0	0	0	112.1
224	Q	27.6	Very low	30.3	Very low	197 Å²	197	141.6 Å²	141.6	92%	0.921	78%	0.781	S	S	*	*			trans	18.5	124.9	158.3	-63.6	176.7	-38.9	0	0	121.5
225	G	30.2	Very low	30.6	Very low	81 Å²	81	140.7 Å²	140.7	84%	0.835	79%	0.789	S	S	*	*			trans	-171.5	117.2	161	0	0	0	0	0	115.1
226	Q	27.3	Very low	30.5	Very low	194 Å²	194	137.2 Å²	137.2	91%	0.907	78%	0.776	S	S	*	*			trans	-80.3	167.8	167.3	-64.6	159.5	-101.6	0	0	109.6
227	V	30.4	Very low	30.7	Very low	127 Å²	127	137.2 Å²	137.2	77%	0.77	78%	0.781	S	S	*	*			cis	-151.2	152.2	28	-180	0	0	0	0	108.4
228	P	29.4	Very low	30.5	Very low	125 Å²	125	135.9 Å²	135.9	81%	0.812	77%	0.769	S	S	*	*			trans	-91	155.7	-179.1	35.4	-36.7	0	0	0	115.8
229	G	25.6	Very low	30.6	Very low	83 Å²	83	140.4 Å²	140.4	86%	0.856	78%	0.778	S	S	*	*			trans	122.9	99.4	148.8	0	0	0	0	0	118.3
230	A	30.3	Very low	30.5	Very low	111 Å²	111	143.9 Å²	143.9	92%	0.917	79%	0.789	S	S	*	*			trans	-150.9	166	159.9	0	0	0	0	0	110.4
231	R	25.3	Very low	30.5	Very low	237 Å²	237	146.1 Å²	146.1	89%	0.894	79%	0.789	S	S	*	*			trans	-140.1	168.7	-166.5	-155.9	-168.9	-141.9	-168.1	8.2	111.3
232	I	28.1	Very low	30.7	Very low	134 Å²	134	143.5 Å²	143.5	69%	0.687	79%	0.789	S	S	*	*			trans	74.4	117.6	162.3	-22.7	178.5	0	0	0	118.2
233	N	33.5	Very low	30.6	Very low	154 Å²	154	138.8 Å²	138.8	82%	0.824	78%	0.781	S	S	*	*				154.1	156.9	121.3	-80.9	-59.7	0	0	0	114.5
234	Q	30.2	Very low	30.6	Very low	181 Å²	181	141.7 Å²	141.7	85%	0.846	79%	0.788	S	S	*	*			trans	-110.1	-152.2	175.9	-58.3	173.4	-45	0	0	110.1
235	P	37.2	Very low	30.6	Very low	113 Å²	113	138.8 Å²	138.8	73%	0.734	78%	0.779	S	S	*	*				-108	-128.8	-85.5	31.8	-10.1	0	0	0	109.8
236	P	35	Very low	30.7	Very low	99 Å²	99	139.5 Å²	139.5	64%	0.643	77%	0.771	S	S	*	*			cis	-138.9	168.6	-25.4	36.2	-15.5	0	0	0	118.5
237	T	33.3	Very low	30.8	Very low	111 Å²	111	138.4 Å²	138.4	68%	0.681	77%	0.768	S	S	*	*			trans	65.6	130	140.5	50.3	0	0	0	0	126.2
238	N	30	Very low	30.9	Very low	119 Å²	119	138.4 Å²	138.4	64%	0.636	77%	0.768	S	S	*	*				66.7	137.2	127.1	-57.6	3.6	0	0	0	124.3	F240	N238-F240 HydrophobicContact CB-CE2 4.44Å
239	Y	30.9	Very low	31	Very low	235 Å²	235	136.7 Å²	136.7	92%	0.922	76%	0.759	S	S	*	*			trans	-148.6	167	154.8	-97.7	-82.5	0	0	0	111.5
240	F	29.8	Very low	31.4	Very low	156 Å²	156	139.1 Å²	139.1	68%	0.684	75%	0.752	S	S	*	*			trans	-133	-169.5	-168	-53.9	-94	0	0	0	111.7	N238	N238-F240 HydrophobicContact CB-CE2 4.44Å
241	H	35.3	Very low	31.6	Very low	148 Å²	148	141.1 Å²	141.1	69%	0.685	74%	0.742	S	S	*	*			cis	-165.2	148	19	-117.4	-50.1	0	0	0	112.9
242	N	32.4	Very low	31.9	Very low	145 Å²	145	136.3 Å²	136.3	78%	0.775	73%	0.734	S	S	*	*			trans	69.9	149.3	141.4	-62.1	-10	0	0	0	125.1
243	G	30.7	Very low	32.4	Very low	66 Å²	66	135.5 Å²	135.5	68%	0.68	74%	0.737	S	S	*	*			trans	141.6	94.2	160.2	0	0	0	0	0	112.9
244	L	29.9	Very low	32.3	Very low	159 Å²	159	136.6 Å²	136.6	83%	0.832	74%	0.738	S	S	*	*				68.4	133.2	74	-65	170.7	0	0	0	113.4
245	D	28.7	Very low	32.5	Very low	137 Å²	137	134.4 Å²	134.4	73%	0.733	73%	0.731	S	S	*	*			cis	-165.1	176.3	3.6	-147.6	-22.3	0	0	0	113
246	S	31.4	Very low	32.2	Very low	96 Å²	96	133.5 Å²	133.5	67%	0.671	73%	0.727	S	S	*	*			trans	73	153.8	157.7	80.4	0	0	0	0	119.6
247	M	30.5	Very low	32.2	Very low	170 Å²	170	135 Å²	135	84%	0.837	73%	0.726	S	S	*	*			cis	-165	142	-2	-124.2	169.1	-162.1	0	0	113.6
248	V	32.5	Very low	32.1	Very low	128 Å²	128	138.9 Å²	138.9	78%	0.776	73%	0.728	S	S	*	*			trans	61.6	146.1	139.4	164.5	0	0	0	0	122.2
249	S	29.9	Very low	32.3	Very low	89 Å²	89	145 Å²	145	62%	0.622	74%	0.742	S	S	*	*			cis	-174.3	171.9	-28.2	-74.5	0	0	0	0	111.2
250	N	34.3	Very low	32.4	Very low	133 Å²	133	142.2 Å²	142.2	71%	0.711	74%	0.737	S	S	*	*			trans	111.2	122.8	141	-68	-15.4	0	0	0	122.4
251	H	35.5	Very low	32.6	Very low	153 Å²	153	143.8 Å²	143.8	71%	0.708	74%	0.744	S	S	*	*			trans	58.9	145	140.1	-66.9	-66.2	0	0	0	121.2
252	D	32	Very low	32.6	Very low	137 Å²	137	144.7 Å²	144.7	73%	0.733	75%	0.749	S	S	*	*			cis	-154.5	160	-1	-104.1	-32.3	0	0	0	111.9
253	P	36.8	Very low	32.6	Very low	116 Å²	116	142.1 Å²	142.1	75%	0.753	75%	0.747	S	S	*	*			trans	-130.3	148.7	-179.1	40.3	-25.6	0	0	0	117.9
254	E	32	Very low	32.9	Very low	177 Å²	177	145.3 Å²	145.3	83%	0.827	75%	0.749	S	S	*	*			trans	-163.4	171.5	156.2	-110	-167.2	152.1	0	0	108.1
255	L	34.4	Very low	33.2	Very low	136 Å²	136	145.8 Å²	145.8	71%	0.712	74%	0.744	S	S	*	*			cis	-149.6	-147.5	12	-135.1	168.3	0	0	0	111.4
256	S	31.6	Very low	33.1	Very low	93 Å²	93	146.8 Å²	146.8	65%	0.65	74%	0.744	S	S	*	*			trans	-88.5	171.8	-175.3	66.8	0	0	0	0	115.4
257	E	34.8	Very low	33.3	Very low	132 Å²	132	147 Å²	147	62%	0.617	74%	0.743	S	S	*	*			cis	-153.5	153.2	23.8	-100.1	-149.4	141.1	0	0	114.7
258	R	31.5	Very low	33.4	Very low	192 Å²	192	149.1 Å²	149.1	73%	0.725	74%	0.742	S	S	*	*			trans	46.3	110	143.5	-58.9	-179.9	-165	-176.3	17.3	122.5
259	R	34	Very low	33.4	Very low	246 Å²	246	152.2 Å²	152.2	93%	0.928	75%	0.745	S	S	*	*				-169.3	151.5	92.6	-109.5	169.1	-81.4	-165.2	-3.6	113
260	H	32.7	Very low	33.6	Very low	177 Å²	177	159.7 Å²	159.7	82%	0.819	76%	0.76	S	S	*	*			trans	-100.1	155.5	-178.6	-54	-74.3	0	0	0	112.8
261	F	33.7	Very low	33.6	Very low	189 Å²	189	160.2 Å²	160.2	83%	0.829	76%	0.763	S	S	*	*				-163.7	169.7	119.2	-100.5	-62.9	0	0	0	111.1
262	H	36.5	Very low	33.6	Very low	168 Å²	168	159 Å²	159	78%	0.778	77%	0.768	S	S	*	*			trans	-43.4	136.8	-167.5	-53.8	-80	0	0	0	115.6
263	A	31.6	Very low	33.7	Very low	90 Å²	90	160 Å²	160	74%	0.744	77%	0.774	S	S	*	*			cis	79.3	94.5	24.1	0	0	0	0	0	116.5
264	D	36.6	Very low	33.6	Very low	134 Å²	134	162.8 Å²	162.8	72%	0.717	78%	0.777	S	S	*	*			trans	-152.9	127.9	144.4	-143	7.8	0	0	0	113.8
265	K	35.7	Very low	33.8	Very low	168 Å²	168	160.5 Å²	160.5	73%	0.73	77%	0.77	S	S	*	*			trans	45.5	98	159.7	-64.7	167.1	-165.1	78.8	0	122
266	E	27.5	Very low	33.6	Very low	159 Å²	159	161 Å²	161	74%	0.743	78%	0.779	S	S	*	*			trans	-59.8	176.6	138.6	-122.2	-146.9	106.9	0	0	111.6	R268	E266-R268 PolarHBondContact OE1-N 3.23Å
267	P	35.2	Very low	33.6	Very low	100 Å²	100	159.4 Å²	159.4	65%	0.649	78%	0.778	S	S	*	*			cis	-148.7	179.8	34.5	35.3	-10.2	0	0	0	120.1
268	R	33.6	Very low	33.3	Very low	215 Å²	215	159.3 Å²	159.3	81%	0.811	79%	0.791	S	S	*	*			trans	97.1	97	153.9	-52.3	-171.9	-168.5	-169.3	4.2	119.8	E266	E266-R268 PolarHBondContact OE1-N 3.23Å
269	F	31.9	Very low	33.2	Very low	193 Å²	193	161.6 Å²	161.6	85%	0.846	80%	0.8	S	S	*	*				19	126.3	124.1	-76.2	-95.2	0	0	0	120.2
270	R	33.5	Very low	33.2	Very low	245 Å²	245	153.9 Å²	153.9	93%	0.925	78%	0.784	S	S	*	*			trans	-150.7	149	136.4	-145	175	-171.2	-172	-0.6	110.8
271	D	34.3	Very low	33.3	Very low	144 Å²	144	153.7 Å²	153.7	77%	0.77	78%	0.783	S	S	*	*			trans	-75.4	157	-171.4	-64.3	-80.7	0	0	0	115.2
272	P	36.2	Very low	33.4	Very low	127 Å²	127	155.3 Å²	155.3	83%	0.825	78%	0.784	S	S	*	*			trans	-98	103.9	-175	35.8	-31.5	0	0	0	113.7
273	N	32.9	Very low	33.4	Very low	159 Å²	159	155 Å²	155	85%	0.85	78%	0.783	S	S	*	*			trans	-164.9	95	146.6	-163.6	7.5	0	0	0	111.4
274	E	36.4	Very low	33.5	Very low	174 Å²	174	157.5 Å²	157.5	81%	0.813	79%	0.789	S	S	*	*			trans	-152.4	127.7	169.6	-132.9	171.7	-156.1	0	0	113.1
275	N	34.2	Very low	33.3	Very low	130 Å²	130	154 Å²	154	70%	0.695	79%	0.785	S	S	*	*			trans	45.6	107.5	155.9	-60.9	-23.9	0	0	0	121	G277	N275-G277 PolarHBondContact O-N 3.27Å
276	T	31.9	Very low	33.3	Very low	146 Å²	146	152.9 Å²	152.9	90%	0.896	79%	0.787	S	S	*	*				-7.6	110.5	126.5	49.9	0	0	0	0	115.9
277	G	31.7	Very low	33.6	Very low	60 Å²	60	155 Å²	155	62%	0.619	80%	0.797	S	S	*	*			trans	169.6	61.8	175.4	0	0	0	0	0	115.2	N275	N275-G277 PolarHBondContact O-N 3.27Å
278	S	28.4	Very low	33.6	Very low	129 Å²	129	153.3 Å²	153.3	90%	0.902	79%	0.787	S	S	*	*			trans	-132.4	47.2	-172.5	-51.7	0	0	0	0	114.5
279	R	29.8	Very low	33.6	Very low	240 Å²	240	147.7 Å²	147.7	91%	0.906	78%	0.781	S	S	*	*	S	Bend	trans	-144.3	44.4	163.4	-160.8	-175.1	171.4	157.1	0.7	111.8
280	S	33.5	Very low	33.7	Very low	85 Å²	85	143.9 Å²	143.9	59%	0.594	78%	0.776	S	S	*	*			trans	-167	67.6	-179.5	45.5	0	0	0	0	112.8
281	Q	33.7	Very low	34	Very low	172 Å²	172	139.8 Å²	139.8	80%	0.804	77%	0.767	S	S	*	*	S	Bend	trans	-127.9	13	176	-146.2	-178	3.7	0	0	115.1
282	W	36.2	Very low	34.2	Very low	223 Å²	223	140.7 Å²	140.7	85%	0.845	77%	0.772	S	S	*	*	S	Bend	trans	-125.2	-0.4	177.6	-64.3	113	0	0	0	114.6
283	E	37	Very low	34.3	Very low	161 Å²	161	141.7 Å²	141.7	75%	0.752	76%	0.763	S	S	*	*	S	Bend	trans	-91.1	-11.3	-175.1	-65.7	171.2	111.7	0	0	114	G285	E283-G285 PolarHBondContact O-N 3.42Å
284	T	33.2	Very low	34.4	Very low	143 Å²	143	139.8 Å²	139.8	88%	0.877	76%	0.76	S	S	*	*	S	Bend	trans	-100.4	50.9	-179.9	37.4	0	0	0	0	112.1
285	G	33.3	Very low	34.4	Very low	62 Å²	62	140.6 Å²	140.6	64%	0.639	76%	0.76	S	S	*	*	S	Bend	trans	-124.1	-34.7	-175.3	0	0	0	0	0	116.7	E283	E283-G285 PolarHBondContact O-N 3.42Å
286	D	35.7	Very low	34.6	Very low	143 Å²	143	144.6 Å²	144.6	77%	0.765	77%	0.766	S	S	*	*			trans	-128.1	72.4	-168.9	-88	-60.5	0	0	0	113.8
287	Q	33.2	Very low	34.9	Very low	204 Å²	204	141.1 Å²	141.1	95%	0.953	75%	0.747	S	S	*	*			trans	-122.7	70.6	158	-68.7	-166.9	19.3	0	0	110.4
288	S	36	Very low	35.6	Very low	64 Å²	64	147.6 Å²	147.6	45%	0.448	75%	0.753	S	S	.	*			trans	-126	120.6	164.9	74.2	0	0	0	0	110.3	K293	S288-K293 PolarHBondContact OG-NZ 2.68Å
289	S	33.3	Very low	36.4	Very low	97 Å²	97	151.6 Å²	151.6	68%	0.678	75%	0.749	S	S	*	*			trans	-62.2	130	-175	-168.8	0	0	0	0	111.2	H291	S289-H291 PolarHBondContact O-N 3.02Å
290	P	33.9	Very low	37.7	Very low	114 Å²	114	145.8 Å²	145.8	74%	0.74	74%	0.735	S	S	*	*	S	Bend	trans	-85.8	54.2	-173.9	35.4	-37	0	0	0	113
291	H	38.5	Very low	38.9	Very low	158 Å²	158	143.5 Å²	143.5	73%	0.731	72%	0.718	S	S	*	*	S	Bend	trans	-128.7	151.2	162.7	-81.2	-83.8	0	0	0	109.7	S289 K293	S289-H291 PolarHBondContact O-N 3.02Å; H291-K293 PolarHBondContact O-N 2.83Å
292	D	39.2	Very low	40.3	Very low	163 Å²	163	138 Å²	138	87%	0.872	70%	0.698	S	S	*	*	S	Bend	trans	62.4	22.9	179.6	-58.6	-19.6	0	0	0	118.4
293	K	38.3	Very low	41.9	Very low	148 Å²	148	132.2 Å²	132.2	64%	0.643	69%	0.692	S	S	*	*			trans	-84.1	119.5	154.8	-73.3	176.3	-173.6	164	0	109.1	S288 H291	S288-K293 PolarHBondContact OG-NZ 2.68Å; H291-K293 PolarHBondContact O-N 2.83Å
294	P	35.1	Very low	43.6	Very low	120 Å²	120	128 Å²	128	78%	0.779	67%	0.672	S	S	*	*			trans	-65.4	143.9	178.7	27.4	-34.3	0	0	0	110.6	R296	P294-R296 PolarHBondContact O-N 3.36Å
295	K	37.6	Very low	45.4	Very low	191 Å²	191	123.6 Å²	123.6	83%	0.83	64%	0.64	S	S	*	*			trans	-51.9	112.2	-178.9	-70.9	-163	173.1	-152.9	0	110.5
296	R	38.4	Very low	46.9	Very low	214 Å²	214	125.3 Å²	125.3	81%	0.808	63%	0.631	S	S	*	*			trans	-59	144.6	165.3	-79.1	-169.9	173.3	-178.9	-3.6	108.6	P294	P294-R296 PolarHBondContact O-N 3.36Å
297	S	37.3	Very low	48.1	Very low	73 Å²	73	119.7 Å²	119.7	51%	0.51	60%	0.601	S	S	.	*			trans	-69	146.8	176.9	-157.8	0	0	0	0	109.6	R299	S297-R299 PolarHBondContact O-N 2.98Å
298	R	46.2	Very low	49.3	Very low	196 Å²	196	113.6 Å²	113.6	74%	0.74	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	41.6	178.9	-157	-174	-159.7	-166.6	6.6	113.1	E373	R298-E373 WeakPolarHBondContact CG-OE1 3.28Å
299	R	46.4	Very low	49.8	Very low	213 Å²	213	120.1 Å²	120.1	80%	0.804	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.8	-19.1	-169.3	-58.1	-172	-169.5	-177.4	3.9	113.8	S297 T301	S297-R299 PolarHBondContact O-N 2.98Å; R299-T301 VanDerWaalsContact C-N 3.34Å
300	D	55.3	Low	50.5	Low	118 Å²	118	121.3 Å²	121.3	63%	0.631	60%	0.596	S	S	*	*	S	Bend	trans	-83.7	-11	178.8	-70	-15.8	0	0	0	112.9	S302	D300-S302 PolarHBondContact O-N 3.25Å
301	T	58.9	Low	51.1	Low	36 Å²	36	117.4 Å²	117.4	22%	0.221	57%	0.567	C	S	.	*	S	Bend	trans	-76.1	118	179.1	-54.1	0	0	0	0	109.9	R299 S303 E373 P374	R299-T301 VanDerWaalsContact C-N 3.34Å; T301-S303 PolarHBondContact O-N 3.1Å; T301-E373 PolarHBondContact OG1-OE2 3.18Å; T301-P374 HydrophobicContact CG2-CG 3.73Å
302	S	64.4	Low	51.6	Low	56 Å²	56	114.3 Å²	114.3	39%	0.392	56%	0.563	S	S	.	*			trans	-56.5	137.3	177.3	178.3	0	0	0	0	111	D300 E304 Y305	D300-S302 PolarHBondContact O-N 3.25Å; S302-E304 PolarHBondContact O-N 3.15Å; S302-E304 VanDerWaalsContact O-N 3.1Å; S302-E304 WeakPolarHBondContact OG-CB 3.23Å; S302-E304 PolarHBondContact OG-N 2.97Å; S302-Y305 PolarHBondContact O-N 2.69Å
303	S	68.4	Low	52.5	Low	103 Å²	103	108.7 Å²	108.7	72%	0.72	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-57.5	-24.2	175.3	53.8	0	0	0	0	112.6	T301 Y305 H306	T301-S303 PolarHBondContact O-N 3.1Å; S303-Y305 PolarHBondContact O-N 3.02Å; S303-H306 PolarHBondContact O-N 3.44Å; S303-H306 VanDerWaalsContact O-N 3.17Å
304	E	73.4	Confident	53.4	Low	72 Å²	72	103 Å²	103	34%	0.336	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-54.2	-34.1	171.1	-174	174.3	-173.7	0	0	112.5	S302 R406	S302-E304 PolarHBondContact O-N 3.15Å; S302-E304 VanDerWaalsContact O-N 3.1Å; S302-E304 WeakPolarHBondContact OG-CB 3.23Å; S302-E304 PolarHBondContact OG-N 2.97Å; E304-R406 PolarHBondContact O-NH1 3.19Å; E304-R406 PolarHBondContact O-NH2 2.87Å
305	Y	70.2	Confident	54.3	Low	50 Å²	50	100 Å²	100	20%	0.196	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-94.4	0.9	-178.2	-58.9	-64.5	0	0	0	114.5	S302 S303 F366 R368 I377	S302-Y305 PolarHBondContact O-N 2.69Å; S303-Y305 PolarHBondContact O-N 3.02Å; Y305-F366 HydrophobicContact CD1-CB 4.41Å; Y305-F366 HydrophobicContact CD1-CD1 4.16Å; Y305-F366 HydrophobicContact CD1-CG 4.19Å; Y305-R368 PolarHBondContact O-NE 3.36Å; Y305-R368 PolarHBondContact O-NH2 3.45Å; Y305-I377 HydrophobicContact CD1-CD1 4.05Å; Y305-I377 HydrophobicContact CD1-CG1 4.35Å; Y305-I377 HydrophobicContact CD1-CG2 4.43Å; Y305-I377 HydrophobicContact CD2-CD1 3.81Å; Y305-I377 HydrophobicContact CE1-CD1 4.04Å; Y305-I377 HydrophobicContact CE1-CG1 4.32Å; Y305-I377 HydrophobicContact CE1-CG2 3.64Å; Y305-I377 HydrophobicContact CE2-CD1 3.8Å; Y305-I377 HydrophobicContact CG-CD1 3.95Å
306	H	66.4	Low	55.2	Low	98 Å²	98	99.4 Å²	99.4	45%	0.454	49%	0.486	S	S	.	.	S	Bend	trans	-64	145.5	172.2	-83.1	-120	0	0	0	110.4	S303 K338	S303-H306 PolarHBondContact O-N 3.44Å; S303-H306 VanDerWaalsContact O-N 3.17Å; H306-K338 PolarHBondContact O-NZ 2.88Å
307	L	60.5	Low	56.1	Low	25 Å²	25	96.1 Å²	96.1	13%	0.131	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-65.7	138.4	157.1	-60.7	176.1	0	0	0	107	F311 L313 C340 F342 A400	L307-F311 HydrophobicContact CB-CB 4.07Å; L307-F311 WeakPolarHBondContact CB-O 3.14Å; L307-F311 VanDerWaalsContact CD1-O 3.27Å; L307-F311 WeakPolarHBondContact CD1-O 3.18Å; L307-F311 HydrophobicContact CD2-CB 4.48Å; L307-L313 HydrophobicContact CD1-CG 4.22Å; L307-C340 HydrophobicContact CD2-CB 4.4Å; L307-C340 VanDerWaalsContact CD2-SG 3.55Å; L307-F342 HydrophobicContact CD1-CE1 4.43Å; L307-A400 HydrophobicContact CD1-CB 4.38Å; L307-A400 HydrophobicContact CD2-CB 4.45Å
308	D	57.7	Low	56.8	Low	76 Å²	76	96.4 Å²	96.4	41%	0.406	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-67.5	160.5	174.1	-50	-50.8	0	0	0	109	I310 F311 K338	D308-I310 PolarHBondContact O-N 3.42Å; D308-F311 PolarHBondContact O-N 2.87Å; D308-K338 IonicContact OD1-NZ 2.6Å; D308-K338 PolarHBondContact OD1-NZ 3.46Å; D308-K338 WeakPolarHBondContact OD2-CE 3.3Å; D308-K338 IonicContact OD2-NZ 3.45Å; D308-K338 PolarHBondContact OD2-NZ 2.86Å; D308-K338 VanDerWaalsContact OD2-NZ 3.09Å
309	E	47.1	Very low	56.7	Low	202 Å²	202	92.5 Å²	92.5	94%	0.944	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.8	-176.4	-59.9	-173.9	153.2	0	0	113.7	F311	E309-F311 VanDerWaalsContact C-N 3.33Å
310	I	46.4	Very low	56.9	Low	121 Å²	121	85.5 Å²	85.5	62%	0.621	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-30.2	172.5	-55.9	172.2	0	0	0	112	D308	D308-I310 PolarHBondContact O-N 3.42Å
311	F	48	Very low	56.5	Low	33 Å²	33	88.6 Å²	88.6	15%	0.145	46%	0.464	C	S	.	.			trans	-111.4	78.3	-173.5	-69.2	-70	0	0	0	111.8	L307 D308 E309 F342	L307-F311 HydrophobicContact CB-CB 4.07Å; L307-F311 WeakPolarHBondContact CB-O 3.14Å; L307-F311 VanDerWaalsContact CD1-O 3.27Å; L307-F311 WeakPolarHBondContact CD1-O 3.18Å; L307-F311 HydrophobicContact CD2-CB 4.48Å; D308-F311 PolarHBondContact O-N 2.87Å; E309-F311 VanDerWaalsContact C-N 3.33Å; F311-F342 HydrophobicContact CD1-CE2 4.49Å
312	S	48.7	Very low	55.9	Low	92 Å²	92	91.1 Å²	91.1	64%	0.643	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-65.7	145.4	161.9	-64.7	0	0	0	0	110.8	F342	S312-F342 WeakPolarHBondContact O-CZ 3.26Å
313	L	57	Low	55.4	Low	45 Å²	45	93.2 Å²	93.2	24%	0.236	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-60.4	130.5	154.6	-80.8	165.3	0	0	0	107.5	L307 F342 P398 A400	L307-L313 HydrophobicContact CD1-CG 4.22Å; L313-F342 HydrophobicContact CD2-CD1 4.01Å; L313-F342 HydrophobicContact CD2-CE1 3.89Å; L313-P398 HydrophobicContact CD2-CB 4.4Å; L313-P398 HydrophobicContact CD2-CG 4.39Å; L313-P398 WeakPolarHBondContact CD2-O 3.28Å; L313-A400 HydrophobicContact CD2-CB 4.06Å
314	P	58.1	Low	54.8	Low	28 Å²	28	89.9 Å²	89.9	18%	0.182	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-62.4	146.3	178	21.9	-28.7	0	0	0	110.5	D318 I320 F342 P398	P314-D318 HydrophobicContact CB-CB 4.13Å; P314-I320 HydrophobicContact CB-CD1 4.47Å; P314-I320 HydrophobicContact CG-CD1 3.87Å; P314-F342 HydrophobicContact CG-CB 4.48Å; P314-F342 HydrophobicContact CG-CD1 4.46Å; P314-F342 HydrophobicContact CG-CG 4.37Å; P314-P398 HydrophobicContact CG-CB 3.87Å; P314-P398 HydrophobicContact CG-CG 3.97Å
315	S	54.2	Low	54.3	Low	57 Å²	57	86.9 Å²	86.9	40%	0.399	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-63.5	161.8	-176	-160	0	0	0	0	111.7	E317 D318	S315-E317 PolarHBondContact O-N 2.97Å; S315-E317 PolarHBondContact OG-OE2 2.83Å; S315-D318 WeakPolarHBondContact CB-OD2 3.37Å; S315-D318 PolarHBondContact N-OD2 3.13Å; S315-D318 PolarHBondContact O-N 2.97Å
316	R	56.4	Low	54.1	Low	180 Å²	180	89.1 Å²	89.1	68%	0.679	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.3	174.8	-172.9	176.7	179.8	109.4	5.1	111.9	M397	R316-M397 HydrophobicContact CB-CE 4.37Å; R316-M397 HydrophobicContact CG-CE 4.27Å; R316-M397 HydrophobicContact CG-SD 4.02Å
317	E	55.9	Low	54.5	Low	145 Å²	145	86.2 Å²	86.2	68%	0.678	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.4	178.3	-57.6	72.9	-151.7	0	0	114.2	S315 P319	S315-E317 PolarHBondContact O-N 2.97Å; S315-E317 PolarHBondContact OG-OE2 2.83Å; E317-P319 WeakPolarHBondContact O-CD 3.26Å
318	D	53.3	Low	55.4	Low	78 Å²	78	86.6 Å²	86.6	42%	0.417	45%	0.449	S	S	.	.			trans	-71.6	118.9	-170.2	-78.9	-38.6	0	0	0	112.3	P314 S315 I320 K344	P314-D318 HydrophobicContact CB-CB 4.13Å; S315-D318 WeakPolarHBondContact CB-OD2 3.37Å; S315-D318 PolarHBondContact N-OD2 3.13Å; S315-D318 PolarHBondContact O-N 2.97Å; D318-I320 PolarHBondContact O-N 3.39Å; D318-K344 PolarHBondContact O-NZ 2.82Å
319	P	44	Very low	56.6	Low	115 Å²	115	83.9 Å²	83.9	75%	0.747	44%	0.435	S	S	*	.			trans	-80.5	81.3	-177.4	33.5	-34.8	0	0	0	110.8	E317 Q321	E317-P319 WeakPolarHBondContact O-CD 3.26Å; P319-Q321 PolarHBondContact O-N 3.17Å
320	I	51	Low	58.5	Low	65 Å²	65	78.2 Å²	78.2	33%	0.333	41%	0.414	S	S	.	.			trans	-61.8	107.7	165.2	-55.5	-177	0	0	0	107.7	P314 D318 N322 K344	P314-I320 HydrophobicContact CB-CD1 4.47Å; P314-I320 HydrophobicContact CG-CD1 3.87Å; D318-I320 PolarHBondContact O-N 3.39Å; I320-N322 HydrophobicContact CG2-CB 4.43Å; I320-N322 PolarHBondContact O-N 3.24Å; I320-K344 HydrophobicContact CD1-CD 3.98Å; I320-K344 HydrophobicContact CD1-CG 4.33Å; I320-K344 HydrophobicContact CG1-CD 4.46Å
321	Q	45.8	Very low	60.6	Low	184 Å²	184	73.1 Å²	73.1	86%	0.86	39%	0.388	S	S	*	.	S	Bend	trans	-70.3	-17.1	-175.8	-66.6	-179.7	-53.7	0	0	113.4	P319 Q323	P319-Q321 PolarHBondContact O-N 3.17Å; Q321-Q323 PolarHBondContact O-N 2.72Å; Q321-Q323 VanDerWaalsContact O-N 3.14Å
322	N	47.3	Very low	62.7	Low	88 Å²	88	76.2 Å²	76.2	47%	0.471	41%	0.405	S	S	.	.			trans	-86.6	77.7	177	-68.1	1.5	0	0	0	110.7	C21 I320 A324	C21-N322 PolarHBondContact SG-ND2 2.98Å; C21-N322 VanDerWaalsContact SG-ND2 3.39Å; I320-N322 HydrophobicContact CG2-CB 4.43Å; I320-N322 PolarHBondContact O-N 3.24Å; N322-A324 PolarHBondContact O-N 3.24Å; N322-A324 VanDerWaalsContact O-N 3.09Å
323	Q	54	Low	64.8	Low	101 Å²	101	71.9 Å²	71.9	47%	0.472	37%	0.374	S	S	.	.			trans	-81.5	67.3	165.2	-167.9	171.7	9	0	0	109.2	Q321 N442	Q321-Q323 PolarHBondContact O-N 2.72Å; Q321-Q323 VanDerWaalsContact O-N 3.14Å; Q323-N442 PolarHBondContact O-ND2 3.28Å
324	A	55.1	Low	66.5	Low	33 Å²	33	72 Å²	72	27%	0.273	38%	0.378	S	S	.	.			trans	-110.9	106.1	174.7	0	0	0	0	0	108.4	N322 F326 V327	N322-A324 PolarHBondContact O-N 3.24Å; N322-A324 VanDerWaalsContact O-N 3.09Å; A324-F326 VanDerWaalsContact C-N 3.33Å; A324-V327 HydrophobicContact CB-CG2 4.14Å; A324-V327 WeakPolarHBondContact O-CG2 3.49Å
325	D	63.7	Low	68.1	Low	9 Å²	9	72.1 Å²	72.1	5%	0.048	38%	0.379	C	S	.	.	S	Bend	trans	-80.2	-16.1	-177.3	-65.5	-88.5	0	0	0	113.4	Y343 I346 L439	D325-Y343 PolarHBondContact O-OH 3.35Å; D325-I346 VanDerWaalsContact OD1-CD1 3.23Å; D325-I346 WeakPolarHBondContact OD1-CD1 3.49Å; D325-I346 VanDerWaalsContact OD1-CG1 3.23Å; D325-I346 WeakPolarHBondContact OD1-CG1 3.48Å; D325-I346 WeakPolarHBondContact OD2-CD1 3.35Å; D325-L439 HydrophobicContact CB-CD2 3.32Å; D325-L439 WeakPolarHBondContact OD2-CD2 3.2Å
326	F	65.5	Low	69.9	Low	97 Å²	97	71.7 Å²	71.7	43%	0.425	38%	0.383	S	S	.	.	S	Bend	trans	-113.4	126.4	165.9	-60.4	-84.5	0	0	0	108.2	A324 V419 D420 A421 W425 L439	A324-F326 VanDerWaalsContact C-N 3.33Å; F326-V419 WeakPolarHBondContact CA-O 3.42Å; F326-D420 HydrophobicContact CD1-CB 4.1Å; F326-D420 HydrophobicContact CE1-CB 4.38Å; F326-A421 HydrophobicContact CE1-CB 3.91Å; F326-A421 HydrophobicContact CE2-CB 4.37Å; F326-A421 HydrophobicContact CZ-CB 3.75Å; F326-W425 HydrophobicContact CZ-CZ2 4.31Å; F326-L439 HydrophobicContact CE2-CD1 4.06Å; F326-L439 HydrophobicContact CE2-CD2 4.21Å; F326-L439 HydrophobicContact CZ-CD1 4.49Å
327	V	75.7	Confident	71.5	Confident	36 Å²	36	66 Å²	66	22%	0.218	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	122.3	-178.4	178	0	0	0	0	108.5	A324 L329 S418 V419	A324-V327 HydrophobicContact CB-CG2 4.14Å; A324-V327 WeakPolarHBondContact O-CG2 3.49Å; V327-L329 HydrophobicContact CG1-CD1 3.7Å; V327-L329 HydrophobicContact CG1-CG 3.82Å; V327-S418 CarbonylContact O-C 3.59Å; V327-S418 WeakPolarHBondContact O-CA 3.23Å; V327-V419 PolarHBondContact N-O 2.85Å; V327-V419 PolarHBondContact O-N 3.06Å
328	S	78	Confident	73.3	Confident	33 Å²	33	59.6 Å²	59.6	23%	0.231	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	118.9	177.6	168.2	0	0	0	0	108.4	Y416	S328-Y416 VanDerWaalsContact OG-CE2 3.3Å; S328-Y416 WeakPolarHBondContact OG-CE2 3.45Å; S328-Y416 PolarHBondContact OG-OH 2.85Å
329	L	83.9	Confident	75	Confident	20 Å²	20	57.6 Å²	57.6	11%	0.105	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152	-170.5	-65.7	173.4	0	0	0	111.5	V19 V327 V331 Y416 F417	V19-L329 HydrophobicContact CB-CD2 4.28Å; V327-L329 HydrophobicContact CG1-CD1 3.7Å; V327-L329 HydrophobicContact CG1-CG 3.82Å; L329-V331 HydrophobicContact CB-CG1 3.93Å; L329-V331 HydrophobicContact CD1-CG1 4.49Å; L329-Y416 WeakPolarHBondContact O-CA 3.46Å; L329-F417 PolarHBondContact N-O 3.02Å; L329-F417 PolarHBondContact O-N 3.24Å
330	V	87.1	Confident	77.4	Confident	83 Å²	83	52.4 Å²	52.4	50%	0.503	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.6	160.5	178.9	0	0	0	0	107.8	L356 V415 Y416	V330-L356 HydrophobicContact CG1-CD1 3.92Å; V330-L356 HydrophobicContact CG2-CD1 4Å; V330-V415 CarbonylContact C-O 3.59Å; V330-V415 WeakPolarHBondContact CA-O 3.33Å; V330-Y416 HydrophobicContact CG2-CD2 4.12Å
331	V	90.1	Very high	79.3	Confident	14 Å²	14	51.2 Å²	51.2	9%	0.085	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.2	-172.9	-58.4	0	0	0	0	111.7	L329 V333 Y341 L403 N414 V415	L329-V331 HydrophobicContact CB-CG1 3.93Å; L329-V331 HydrophobicContact CD1-CG1 4.49Å; V331-V333 HydrophobicContact CG2-CG2 4.38Å; V331-Y341 WeakPolarHBondContact CB-OH 3.08Å; V331-Y341 HydrophobicContact CG1-CE1 4.28Å; V331-Y341 WeakPolarHBondContact CG1-OH 3.28Å; V331-Y341 HydrophobicContact CG2-CE2 4.41Å; V331-L403 HydrophobicContact CG2-CD1 3.58Å; V331-N414 WeakPolarHBondContact O-CA 3.19Å; V331-V415 HydrophobicContact CG2-CB 4.17Å; V331-V415 PolarHBondContact N-O 3.31Å; V331-V415 PolarHBondContact O-N 3.05Å
332	I	91	Very high	81.5	Confident	98 Å²	98	45.4 Å²	45.4	50%	0.503	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.5	175	-56.7	178.9	0	0	0	108.4	Y412 K413	I332-Y412 HydrophobicContact CG2-CD1 3.89Å; I332-K413 CarbonylContact C-O 3.56Å; I332-K413 WeakPolarHBondContact CA-O 3.3Å
333	V	93.2	Very high	83.6	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.9	174	-167.5	0	0	0	0	108.6	V331 V337 H339 I363 L403 N405 Y412 K413 V415	V331-V333 HydrophobicContact CG2-CG2 4.38Å; V333-V337 HydrophobicContact CG1-CG2 4.42Å; V333-H339 HydrophobicContact CG1-CB 4.18Å; V333-H339 HydrophobicContact CG2-CB 4.42Å; V333-I363 HydrophobicContact CB-CD1 3.95Å; V333-I363 HydrophobicContact CG1-CD1 4.15Å; V333-I363 HydrophobicContact CG2-CD1 3.81Å; V333-L403 HydrophobicContact CG2-CB 4.07Å; V333-L403 HydrophobicContact CG2-CD1 3.97Å; V333-N405 HydrophobicContact CB-CB 4.27Å; V333-N405 HydrophobicContact CG1-CB 3.58Å; V333-N405 PolarHBondContact O-ND2 2.94Å; V333-Y412 WeakPolarHBondContact O-CA 3.43Å; V333-K413 HydrophobicContact CB-CB 4.43Å; V333-K413 PolarHBondContact N-O 2.74Å; V333-K413 PolarHBondContact O-N 2.64Å; V333-V415 HydrophobicContact CG2-CG2 4.4Å
334	P	92.8	Very high	85.3	Confident	47 Å²	47	39.8 Å²	39.8	31%	0.305	23%	0.226	S	C	.	.			trans	-61.4	160	177	-23	33.2	0	0	0	113.5	V337 N405 Y412	P334-V337 HydrophobicContact CB-CG2 3.82Å; P334-V337 HydrophobicContact CG-CG2 4.05Å; P334-V337 WeakPolarHBondContact O-CG2 3.49Å; P334-N405 VanDerWaalsContact C-ND2 3.3Å; P334-N405 PolarHBondContact O-ND2 2.76Å; P334-Y412 HydrophobicContact CB-CD1 4.02Å; P334-Y412 HydrophobicContact CB-CE1 3.78Å; P334-Y412 HydrophobicContact CG-CD1 4.3Å; P334-Y412 HydrophobicContact CG-CE1 4.08Å
335	P	93.1	Very high	86.9	Confident	31 Å²	31	38.2 Å²	38.2	20%	0.201	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	151.9	168.8	27.1	-33.9	0	0	0	111.2	V337 N405 A408 Y412	P335-V337 PolarHBondContact O-N 2.86Å; P335-N405 WeakPolarHBondContact CA-ND2 3.48Å; P335-A408 WeakPolarHBondContact CA-O 3.32Å; P335-A408 HydrophobicContact CB-CB 4.47Å; P335-A408 WeakPolarHBondContact CB-O 3.43Å; P335-Y412 HydrophobicContact CG-CE2 4.45Å
336	G	91.2	Very high	87.9	Confident	48 Å²	48	38.9 Å²	38.9	50%	0.495	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	3.9	173.4	0	0	0	0	0	116.2	N405 A408	G336-N405 PolarHBondContact N-O 3.39Å; G336-A408 PolarHBondContact N-O 2.85Å
337	V	90.8	Very high	89	Confident	61 Å²	61	34.7 Å²	34.7	37%	0.37	20%	0.199	S	C	.	.			trans	-128.4	164.1	-178.9	-55.2	0	0	0	0	113.3	V333 P334 P335 N405 R406	V333-V337 HydrophobicContact CG1-CG2 4.42Å; P334-V337 HydrophobicContact CB-CG2 3.82Å; P334-V337 HydrophobicContact CG-CG2 4.05Å; P334-V337 WeakPolarHBondContact O-CG2 3.49Å; P335-V337 PolarHBondContact O-N 2.86Å; V337-N405 CarbonylContact O-C 3.6Å; V337-N405 WeakPolarHBondContact O-CA 3.2Å; V337-N405 PolarHBondContact O-N 2.86Å; V337-R406 PolarHBondContact O-N 2.86Å
338	K	92	Very high	89.7	Confident	11 Å²	11	35.4 Å²	35.4	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.4	164.4	71.4	-154.6	175.9	-157	0	108.8	H306 D308 F366 L403 D404	H306-K338 PolarHBondContact O-NZ 2.88Å; D308-K338 IonicContact OD1-NZ 2.6Å; D308-K338 PolarHBondContact OD1-NZ 3.46Å; D308-K338 WeakPolarHBondContact OD2-CE 3.3Å; D308-K338 IonicContact OD2-NZ 3.45Å; D308-K338 PolarHBondContact OD2-NZ 2.86Å; D308-K338 VanDerWaalsContact OD2-NZ 3.09Å; K338-F366 HydrophobicContact CD-CE1 4.2Å; K338-F366 HydrophobicContact CD-CZ 4.08Å; K338-L403 CarbonylContact C-O 3.53Å; K338-L403 WeakPolarHBondContact CA-O 3.29Å; K338-D404 HydrophobicContact CB-CB 4.33Å
339	H	90.6	Very high	90.4	Very high	35 Å²	35	33.9 Å²	33.9	16%	0.162	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.8	-177.8	-155.7	178	0	0	0	108.9	V333 Y341 C402 L403	V333-H339 HydrophobicContact CG1-CB 4.18Å; V333-H339 HydrophobicContact CG2-CB 4.42Å; H339-Y341 PolarHBondContact CE1-OH 2.88Å; H339-Y341 PolarHBondContact ND1-OH 2.6Å; H339-Y341 VanDerWaalsContact ND1-OH 3.16Å; H339-C402 WeakPolarHBondContact O-CA 3.14Å; H339-L403 PolarHBondContact N-O 2.85Å; H339-L403 PolarHBondContact O-N 3.44Å
340	C	94.2	Very high	90.8	Very high	7 Å²	7	34 Å²	34	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.1	-171	-63.2	0	0	0	0	112.1	L307 I401 C402	L307-C340 HydrophobicContact CD2-CB 4.4Å; L307-C340 VanDerWaalsContact CD2-SG 3.55Å; C340-I401 WeakPolarHBondContact CA-O 3.33Å; C340-C402 HydrophobicContact CB-CB 4.13Å; C340-C402 WeakPolarHBondContact CB-SG 3.11Å; C340-C402 WeakPolarHBondContact SG-CB 3.33Å; C340-C402 CovalentContact SG-SG 2.04Å; C340-C402 PolarHBondContact SG-SG 2.68Å
341	Y	91.3	Very high	91.1	Very high	40 Å²	40	30 Å²	30	16%	0.157	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.7	176.4	-58.6	-83.8	0	0	0	109.3	V331 H339 A400 I401 L403 F417	V331-Y341 WeakPolarHBondContact CB-OH 3.08Å; V331-Y341 HydrophobicContact CG1-CE1 4.28Å; V331-Y341 WeakPolarHBondContact CG1-OH 3.28Å; V331-Y341 HydrophobicContact CG2-CE2 4.41Å; H339-Y341 PolarHBondContact CE1-OH 2.88Å; H339-Y341 PolarHBondContact ND1-OH 2.6Å; H339-Y341 VanDerWaalsContact ND1-OH 3.16Å; Y341-A400 WeakPolarHBondContact O-CA 3.12Å; Y341-I401 PolarHBondContact N-O 3.2Å; Y341-I401 PolarHBondContact O-N 3.27Å; Y341-L403 HydrophobicContact CE2-CD1 4.3Å; Y341-F417 HydrophobicContact CD2-CE1 4.5Å
342	F	91.7	Very high	91.2	Very high	61 Å²	61	33.2 Å²	33.2	27%	0.268	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124	-178.1	-60.4	-80	0	0	0	110.8	L307 F311 S312 L313 P314 Y399 A400	L307-F342 HydrophobicContact CD1-CE1 4.43Å; F311-F342 HydrophobicContact CD1-CE2 4.49Å; S312-F342 WeakPolarHBondContact O-CZ 3.26Å; L313-F342 HydrophobicContact CD2-CD1 4.01Å; L313-F342 HydrophobicContact CD2-CE1 3.89Å; P314-F342 HydrophobicContact CG-CB 4.48Å; P314-F342 HydrophobicContact CG-CD1 4.46Å; P314-F342 HydrophobicContact CG-CG 4.37Å; F342-Y399 VanDerWaalsContact CA-O 3.32Å; F342-Y399 WeakPolarHBondContact CA-O 3.36Å; F342-A400 HydrophobicContact CD1-CB 3.76Å; F342-A400 HydrophobicContact CE1-CB 3.6Å
343	Y	89.7	Confident	91.2	Very high	18 Å²	18	28.6 Å²	28.6	7%	0.071	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.7	-176	179	-110	0	0	0	110.3	D325 P345 F349 P398 Y399 V419	D325-Y343 PolarHBondContact O-OH 3.35Å; Y343-P345 HydrophobicContact CD1-CB 4.11Å; Y343-P345 HydrophobicContact CD1-CG 4.3Å; Y343-P345 HydrophobicContact CE1-CB 3.66Å; Y343-P345 HydrophobicContact CE1-CG 4.35Å; Y343-P345 WeakPolarHBondContact O-CD 3.42Å; Y343-F349 HydrophobicContact CD1-CD1 4.22Å; Y343-F349 HydrophobicContact CD1-CD2 4.14Å; Y343-F349 HydrophobicContact CD1-CE1 4.31Å; Y343-F349 HydrophobicContact CD1-CE2 4.23Å; Y343-F349 HydrophobicContact CD1-CG 4.12Å; Y343-F349 HydrophobicContact CD1-CZ 4.31Å; Y343-F349 HydrophobicContact CE1-CB 3.79Å; Y343-F349 AromaticContact CE1-CD1 3.89Å; Y343-F349 HydrophobicContact CE1-CD1 3.89Å; Y343-F349 AromaticContact CE1-CD2 4Å; Y343-F349 HydrophobicContact CE1-CD2 4Å; Y343-F349 HydrophobicContact CE1-CE1 4.43Å; Y343-F349 AromaticContact CE1-CG 3.63Å; Y343-F349 HydrophobicContact CE1-CG 3.63Å; Y343-P398 CarbonylContact O-C 3.59Å; Y343-P398 WeakPolarHBondContact O-CA 3.28Å; Y343-Y399 PolarHBondContact N-O 2.61Å; Y343-Y399 PolarHBondContact O-N 3.45Å; Y343-V419 HydrophobicContact CD1-CG1 3.69Å; Y343-V419 HydrophobicContact CD2-CB 4.48Å; Y343-V419 HydrophobicContact CD2-CG1 3.9Å; Y343-V419 HydrophobicContact CE1-CG1 3.55Å; Y343-V419 HydrophobicContact CE2-CB 4.41Å; Y343-V419 HydrophobicContact CE2-CG1 3.75Å; Y343-V419 HydrophobicContact CG-CG1 3.86Å
344	K	89.8	Confident	91.2	Very high	53 Å²	53	33 Å²	33	23%	0.23	18%	0.178	C	C	.	.			trans	-113.9	75.4	-175.6	-78.5	-173.9	169.4	-176.8	0	110.7	D318 I320 L396 P398	D318-K344 PolarHBondContact O-NZ 2.82Å; I320-K344 HydrophobicContact CD1-CD 3.98Å; I320-K344 HydrophobicContact CD1-CG 4.33Å; I320-K344 HydrophobicContact CG1-CD 4.46Å; K344-L396 WeakPolarHBondContact CD-O 3.46Å; K344-P398 HydrophobicContact CG-CB 4.26Å
345	P	89.1	Confident	91.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.			trans	-61.4	133.7	-170.3	22.2	-34.2	0	0	0	114.7	Y343 T347 F349 V390 R395 L396 Y399	Y343-P345 HydrophobicContact CD1-CB 4.11Å; Y343-P345 HydrophobicContact CD1-CG 4.3Å; Y343-P345 HydrophobicContact CE1-CB 3.66Å; Y343-P345 HydrophobicContact CE1-CG 4.35Å; Y343-P345 WeakPolarHBondContact O-CD 3.42Å; P345-T347 WeakPolarHBondContact CB-O 3.39Å; P345-F349 HydrophobicContact CB-CD1 3.66Å; P345-F349 HydrophobicContact CB-CE1 4.08Å; P345-F349 HydrophobicContact CG-CD1 3.94Å; P345-F349 HydrophobicContact CG-CE1 3.8Å; P345-V390 HydrophobicContact CB-CG2 4.12Å; P345-V390 HydrophobicContact CG-CG1 4.12Å; P345-V390 HydrophobicContact CG-CG2 3.94Å; P345-R395 CarbonylContact O-C 3.57Å; P345-R395 WeakPolarHBondContact O-CA 3.38Å; P345-L396 PolarHBondContact O-N 3.44Å; P345-Y399 HydrophobicContact CG-CD2 3.57Å; P345-Y399 HydrophobicContact CG-CE2 3.58Å
346	I	85.2	Confident	90.9	Very high	24 Å²	24	33.1 Å²	33.1	12%	0.123	17%	0.174	C	C	.	.	S	Bend	trans	-72.1	-39.1	164	-66.4	170.8	0	0	0	111.4	D325 R395 L396 A435 T438 L439	D325-I346 VanDerWaalsContact OD1-CD1 3.23Å; D325-I346 WeakPolarHBondContact OD1-CD1 3.49Å; D325-I346 VanDerWaalsContact OD1-CG1 3.23Å; D325-I346 WeakPolarHBondContact OD1-CG1 3.48Å; D325-I346 WeakPolarHBondContact OD2-CD1 3.35Å; I346-R395 WeakPolarHBondContact O-CD 3.46Å; I346-L396 HydrophobicContact CG1-CD2 3.8Å; I346-A435 HydrophobicContact CG2-CB 3.6Å; I346-T438 HydrophobicContact CD1-CG2 3.77Å; I346-L439 HydrophobicContact CD1-CD2 4.34Å
347	T	88	Confident	90.7	Very high	8 Å²	8	37.9 Å²	37.9	5%	0.049	18%	0.181	C	C	.	.	S	Bend	trans	-131.7	-164.6	-171.2	-170	0	0	0	0	111.3	P345 V390 A421 L423	P345-T347 WeakPolarHBondContact CB-O 3.39Å; T347-V390 WeakPolarHBondContact O-CB 3.44Å; T347-V390 VanDerWaalsContact O-CG2 3.25Å; T347-V390 WeakPolarHBondContact O-CG2 3.48Å; T347-A421 HydrophobicContact CG2-CB 3.88Å; T347-L423 HydrophobicContact CG2-CD2 3.57Å; T347-L423 HydrophobicContact CG2-CG 3.94Å
348	N	91.1	Very high	90.4	Very high	51 Å²	51	36.2 Å²	36.2	27%	0.273	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	154.2	162	-64.5	-14	0	0	0	109.7	I388 S389 V390 N422	N348-I388 WeakPolarHBondContact CA-O 3.35Å; N348-I388 WeakPolarHBondContact CB-O 3.44Å; N348-S389 WeakPolarHBondContact OD1-CA 3.25Å; N348-V390 PolarHBondContact OD1-N 2.85Å; N348-N422 HydrophobicContact CB-CB 3.97Å; N348-N422 PolarHBondContact O-N 2.84Å
349	F	92.2	Very high	90	Very high	1 Å²	1	38 Å²	38	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	148.5	178.2	66.2	-86	0	0	0	111.7	Y343 P345 V351 I388 V390 Y399 I401 V419 D420	Y343-F349 HydrophobicContact CD1-CD1 4.22Å; Y343-F349 HydrophobicContact CD1-CD2 4.14Å; Y343-F349 HydrophobicContact CD1-CE1 4.31Å; Y343-F349 HydrophobicContact CD1-CE2 4.23Å; Y343-F349 HydrophobicContact CD1-CG 4.12Å; Y343-F349 HydrophobicContact CD1-CZ 4.31Å; Y343-F349 HydrophobicContact CE1-CB 3.79Å; Y343-F349 AromaticContact CE1-CD1 3.89Å; Y343-F349 HydrophobicContact CE1-CD1 3.89Å; Y343-F349 AromaticContact CE1-CD2 4Å; Y343-F349 HydrophobicContact CE1-CD2 4Å; Y343-F349 HydrophobicContact CE1-CE1 4.43Å; Y343-F349 AromaticContact CE1-CG 3.63Å; Y343-F349 HydrophobicContact CE1-CG 3.63Å; P345-F349 HydrophobicContact CB-CD1 3.66Å; P345-F349 HydrophobicContact CB-CE1 4.08Å; P345-F349 HydrophobicContact CG-CD1 3.94Å; P345-F349 HydrophobicContact CG-CE1 3.8Å; F349-V351 HydrophobicContact CD2-CG2 3.67Å; F349-V351 HydrophobicContact CE2-CG2 3.55Å; F349-I388 HydrophobicContact CD1-CB 4.05Å; F349-I388 HydrophobicContact CD1-CG2 4.2Å; F349-I388 HydrophobicContact CD2-CB 4.26Å; F349-I388 HydrophobicContact CD2-CG1 4.32Å; F349-I388 HydrophobicContact CE1-CB 3.72Å; F349-I388 HydrophobicContact CE1-CG1 4.34Å; F349-I388 HydrophobicContact CE1-CG2 3.51Å; F349-I388 HydrophobicContact CE2-CB 3.96Å; F349-I388 HydrophobicContact CE2-CG1 3.75Å; F349-I388 HydrophobicContact CE2-CG2 4.45Å; F349-I388 HydrophobicContact CG-CB 4.32Å; F349-I388 HydrophobicContact CZ-CB 3.69Å; F349-I388 HydrophobicContact CZ-CG1 3.77Å; F349-I388 HydrophobicContact CZ-CG2 3.68Å; F349-I388 PolarHBondContact N-O 3.4Å; F349-I388 VanDerWaalsContact N-O 3.12Å; F349-I388 PolarHBondContact O-N 2.95Å; F349-V390 HydrophobicContact CD1-CG2 3.54Å; F349-V390 HydrophobicContact CE1-CG2 3.57Å; F349-Y399 HydrophobicContact CE1-CD1 4.16Å; F349-Y399 HydrophobicContact CE1-CD2 4.25Å; F349-Y399 HydrophobicContact CE1-CE1 4.35Å; F349-Y399 HydrophobicContact CE1-CE2 4.45Å; F349-Y399 HydrophobicContact CE1-CG 4.12Å; F349-Y399 AromaticContact CZ-CD1 3.98Å; F349-Y399 HydrophobicContact CZ-CD1 3.98Å; F349-Y399 HydrophobicContact CZ-CG 4.01Å; F349-I401 HydrophobicContact CE2-CD1 3.95Å; F349-V419 HydrophobicContact CB-CG1 4.45Å; F349-V419 HydrophobicContact CD2-CG1 3.73Å; F349-V419 HydrophobicContact CE2-CG1 4.36Å; F349-V419 HydrophobicContact CG-CG1 4.38Å; F349-D420 CarbonylContact C-O 3.59Å; F349-D420 VanDerWaalsContact CA-O 3.24Å; F349-D420 WeakPolarHBondContact CA-O 3.34Å; F349-D420 WeakPolarHBondContact CB-O 3.45Å
350	D	91.8	Very high	89.9	Confident	22 Å²	22	44.8 Å²	44.8	12%	0.118	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	149	170.9	-60.4	-53.8	0	0	0	109.6	V386 S387 V419 D420 N422	D350-V386 CarbonylContact C-O 3.54Å; D350-V386 WeakPolarHBondContact CA-O 3.49Å; D350-S387 WeakPolarHBondContact OD1-CA 3.41Å; D350-S387 WeakPolarHBondContact OD1-CB 3.31Å; D350-S387 PolarHBondContact OD1-OG 3.38Å; D350-V419 WeakPolarHBondContact O-CA 3.44Å; D350-D420 PolarHBondContact N-O 2.84Å; D350-D420 PolarHBondContact O-N 2.88Å; D350-N422 PolarHBondContact OD1-ND2 2.86Å; D350-N422 WeakPolarHBondContact OD2-CB 3.46Å; D350-N422 PolarHBondContact OD2-ND2 3Å
351	V	93.2	Very high	89.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.1	174.5	-179.2	0	0	0	0	108	F349 I365 I367 Q385 V386 I401 F417 S418 V419	F349-V351 HydrophobicContact CD2-CG2 3.67Å; F349-V351 HydrophobicContact CE2-CG2 3.55Å; V351-I365 HydrophobicContact CG1-CD1 3.95Å; V351-I367 HydrophobicContact CB-CD1 4.24Å; V351-I367 HydrophobicContact CG2-CD1 3.86Å; V351-Q385 CarbonylContact O-C 3.59Å; V351-Q385 WeakPolarHBondContact O-CA 3.34Å; V351-V386 PolarHBondContact N-O 3.38Å; V351-V386 PolarHBondContact O-N 3.12Å; V351-I401 HydrophobicContact CG1-CG2 4.08Å; V351-I401 HydrophobicContact CG2-CD1 3.9Å; V351-F417 HydrophobicContact CG1-CD2 4.24Å; V351-F417 HydrophobicContact CG1-CE2 3.48Å; V351-F417 VanDerWaalsContact CG1-CE2 3.48Å; V351-F417 HydrophobicContact CG1-CZ 4.13Å; V351-S418 WeakPolarHBondContact CA-O 3.47Å; V351-V419 HydrophobicContact CG2-CG1 4.43Å; V351-V419 HydrophobicContact CG2-CG2 4.43Å
352	E	92.5	Very high	89.7	Confident	82 Å²	82	48.3 Å²	48.3	38%	0.383	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.2	172.2	-168.7	172.5	161.2	0	0	110.2	Q385 F417 S418	E352-Q385 HydrophobicContact CB-CG 4.43Å; E352-F417 WeakPolarHBondContact O-CA 3.46Å; E352-S418 PolarHBondContact N-O 3.27Å; E352-S418 VanDerWaalsContact N-O 3.16Å; E352-S418 PolarHBondContact O-N 3.09Å
353	Y	92.4	Very high	89.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	155	164.5	72.8	-86.7	0	0	0	112	I363 I365 D383 S384 V415 Y416	Y353-I363 HydrophobicContact CD2-CG2 3.82Å; Y353-I363 HydrophobicContact CE2-CG2 3.6Å; Y353-I363 PolarHBondContact OH-O 2.92Å; Y353-I365 HydrophobicContact CD1-CB 4.49Å; Y353-I365 HydrophobicContact CD1-CD1 3.96Å; Y353-I365 HydrophobicContact CD1-CG2 4.28Å; Y353-I365 HydrophobicContact CE1-CB 4.02Å; Y353-I365 HydrophobicContact CE1-CD1 4.26Å; Y353-I365 HydrophobicContact CE1-CG2 3.49Å; Y353-I365 VanDerWaalsContact CE1-CG2 3.49Å; Y353-D383 VanDerWaalsContact O-CA 3.23Å; Y353-D383 WeakPolarHBondContact O-CA 3.41Å; Y353-S384 WeakPolarHBondContact CD1-O 3.35Å; Y353-S384 PolarHBondContact N-O 3.23Å; Y353-S384 VanDerWaalsContact N-O 3.17Å; Y353-S384 PolarHBondContact O-N 2.8Å; Y353-V415 HydrophobicContact CD2-CG1 4.25Å; Y353-Y416 CarbonylContact C-O 3.45Å; Y353-Y416 WeakPolarHBondContact CA-O 3.46Å; Y353-Y416 WeakPolarHBondContact CB-O 3.41Å
354	Q	93.5	Very high	90	Very high	94 Å²	94	44.8 Å²	44.8	44%	0.439	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	128.6	170.9	-177.9	-179.9	81.5	0	0	110.1	L356 S382 D383 V415 Y416	Q354-L356 HydrophobicContact CG-CD2 4.42Å; Q354-L356 PolarHBondContact O-N 3.24Å; Q354-S382 WeakPolarHBondContact CA-O 3.3Å; Q354-D383 HydrophobicContact CB-CB 4.46Å; Q354-D383 HydrophobicContact CG-CB 4.46Å; Q354-V415 CarbonylContact O-C 3.48Å; Q354-V415 WeakPolarHBondContact O-CA 3.45Å; Q354-Y416 PolarHBondContact N-O 3.45Å; Q354-Y416 PolarHBondContact O-N 2.85Å
355	V	90.9	Very high	90.2	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.055	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	99.7	176.6	-175.2	0	0	0	0	109.7	L361 I363 S382 K413 N414 V415	V355-L361 WeakPolarHBondContact CB-O 3.43Å; V355-L361 HydrophobicContact CG1-CB 4.37Å; V355-L361 HydrophobicContact CG1-CD2 4.3Å; V355-L361 WeakPolarHBondContact CG1-O 3.2Å; V355-L361 VanDerWaalsContact CG2-O 3.31Å; V355-L361 WeakPolarHBondContact CG2-O 3.4Å; V355-I363 HydrophobicContact CG2-CB 3.91Å; V355-I363 HydrophobicContact CG2-CG2 3.47Å; V355-I363 VanDerWaalsContact CG2-CG2 3.47Å; V355-S382 PolarHBondContact N-O 3.25Å; V355-K413 HydrophobicContact CG1-CB 4.46Å; V355-K413 HydrophobicContact CG1-CD 4.02Å; V355-N414 CarbonylContact C-O 3.43Å; V355-V415 HydrophobicContact CG2-CG2 4.27Å
356	L	88.6	Confident	90.5	Very high	71 Å²	71	42.4 Å²	42.4	37%	0.372	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	-44.6	-177.5	-56	-179.5	0	0	0	112.4	V330 Q354 N414	V330-L356 HydrophobicContact CG1-CD1 3.92Å; V330-L356 HydrophobicContact CG2-CD1 4Å; Q354-L356 HydrophobicContact CG-CD2 4.42Å; Q354-L356 PolarHBondContact O-N 3.24Å; L356-N414 PolarHBondContact N-O 2.88Å
357	K	85.2	Confident	91	Very high	148 Å²	148	41.3 Å²	41.3	64%	0.643	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-153.8	130.9	-174.5	-60	-178.3	-177.1	172.3	0	112.5	N414	K357-N414 HydrophobicContact CB-CB 4.2Å; K357-N414 PolarHBondContact N-O 3.44Å; K357-N414 PolarHBondContact O-N 2.92Å; K357-N414 PolarHBondContact O-ND2 2.81Å
358	G	85.2	Confident	91.3	Very high	25 Å²	25	41.8 Å²	41.8	26%	0.258	22%	0.221	S	C	.	.	S	Bend	trans	131	137.7	163.2	0	0	0	0	0	116.1	L361 Y412 K413	G358-L361 WeakPolarHBondContact O-CA 3.34Å; G358-L361 PolarHBondContact O-N 2.84Å; G358-L361 VanDerWaalsContact O-N 3.09Å; G358-Y412 WeakPolarHBondContact CA-O 3.42Å; G358-K413 VanDerWaalsContact O-CD 3.24Å; G358-K413 WeakPolarHBondContact O-CD 3.26Å; G358-K413 WeakPolarHBondContact O-CE 3.49Å; G358-K413 PolarHBondContact O-NZ 2.82Å
359	G	83.6	Confident	91.5	Very high	49 Å²	49	40.2 Å²	40.2	51%	0.505	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	-142.1	179.6	0	0	0	0	0	112.5	L361	G359-L361 PolarHBondContact O-N 3.49Å; G359-L361 VanDerWaalsContact O-N 3.1Å
360	H	88.4	Confident	91.6	Very high	178 Å²	178	41.3 Å²	41.3	82%	0.824	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	22.8	173.5	-52.8	-71.2	0	0	0	113.4	D362	H360-D362 WeakPolarHBondContact CB-OD1 3.47Å; H360-D362 PolarHBondContact O-N 3.09Å
361	L	90	Very high	91.6	Very high	78 Å²	78	45.3 Å²	45.3	41%	0.408	24%	0.238	S	C	.	.	S	Bend	trans	53.8	18.8	-173	-57.6	177.1	0	0	0	115.1	V355 G358 G359 S382	V355-L361 WeakPolarHBondContact CB-O 3.43Å; V355-L361 HydrophobicContact CG1-CB 4.37Å; V355-L361 HydrophobicContact CG1-CD2 4.3Å; V355-L361 WeakPolarHBondContact CG1-O 3.2Å; V355-L361 VanDerWaalsContact CG2-O 3.31Å; V355-L361 WeakPolarHBondContact CG2-O 3.4Å; G358-L361 WeakPolarHBondContact O-CA 3.34Å; G358-L361 PolarHBondContact O-N 2.84Å; G358-L361 VanDerWaalsContact O-N 3.09Å; G359-L361 PolarHBondContact O-N 3.49Å; G359-L361 VanDerWaalsContact O-N 3.1Å; L361-S382 VanDerWaalsContact O-CA 3.3Å; L361-S382 WeakPolarHBondContact O-CA 3.15Å
362	D	92.3	Very high	91.4	Very high	42 Å²	42	45.8 Å²	45.8	23%	0.225	24%	0.243	C	C	.	.			trans	-95.6	143.1	179	63.5	-44.3	0	0	0	113.4	H360 P380 L381 K413	H360-D362 WeakPolarHBondContact CB-OD1 3.47Å; H360-D362 PolarHBondContact O-N 3.09Å; D362-P380 HydrophobicContact CB-CB 3.78Å; D362-L381 CarbonylContact C-O 3.47Å; D362-L381 WeakPolarHBondContact CA-O 3.41Å; D362-K413 WeakPolarHBondContact O-CD 3.35Å; D362-K413 WeakPolarHBondContact O-CE 3.4Å; D362-K413 PolarHBondContact O-NZ 2.85Å; D362-K413 IonicContact OD1-NZ 2.62Å; D362-K413 PolarHBondContact OD1-NZ 2.69Å
363	I	93.1	Very high	91.4	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	142.3	162.8	-158.7	169.9	0	0	0	110.8	V333 Y353 V355 P380 L381 L403 D404 N405 K413 V415	V333-I363 HydrophobicContact CB-CD1 3.95Å; V333-I363 HydrophobicContact CG1-CD1 4.15Å; V333-I363 HydrophobicContact CG2-CD1 3.81Å; Y353-I363 HydrophobicContact CD2-CG2 3.82Å; Y353-I363 HydrophobicContact CE2-CG2 3.6Å; Y353-I363 PolarHBondContact OH-O 2.92Å; V355-I363 HydrophobicContact CG2-CB 3.91Å; V355-I363 HydrophobicContact CG2-CG2 3.47Å; V355-I363 VanDerWaalsContact CG2-CG2 3.47Å; I363-P380 WeakPolarHBondContact O-CA 3.49Å; I363-L381 PolarHBondContact N-O 2.83Å; I363-L381 PolarHBondContact O-N 2.85Å; I363-L381 VanDerWaalsContact O-N 3.1Å; I363-L403 HydrophobicContact CD1-CB 3.89Å; I363-D404 WeakPolarHBondContact CG1-O 3.23Å; I363-N405 HydrophobicContact CD1-CB 4.07Å; I363-N405 HydrophobicContact CG1-CB 4.19Å; I363-K413 HydrophobicContact CD1-CB 4.16Å; I363-K413 HydrophobicContact CD1-CG 4.25Å; I363-V415 HydrophobicContact CD1-CG2 3.83Å; I363-V415 HydrophobicContact CG2-CG1 4.44Å; I363-V415 HydrophobicContact CG2-CG2 4.31Å
364	G	94.2	Very high	91.4	Very high	4 Å²	4	46 Å²	46	4%	0.041	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	158.3	173.7	0	0	0	0	0	111.3	D404	G364-D404 PolarHBondContact N-O 3.2Å; G364-D404 PolarHBondContact O-N 2.82Å
365	I	94.7	Very high	91.4	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.7	167.6	-170.2	167.7	0	0	0	110.3	V351 Y353 R378 I401 C402 L403 F417	V351-I365 HydrophobicContact CG1-CD1 3.95Å; Y353-I365 HydrophobicContact CD1-CB 4.49Å; Y353-I365 HydrophobicContact CD1-CD1 3.96Å; Y353-I365 HydrophobicContact CD1-CG2 4.28Å; Y353-I365 HydrophobicContact CE1-CB 4.02Å; Y353-I365 HydrophobicContact CE1-CD1 4.26Å; Y353-I365 HydrophobicContact CE1-CG2 3.49Å; Y353-I365 VanDerWaalsContact CE1-CG2 3.49Å; I365-R378 HydrophobicContact CG2-CB 3.75Å; I365-R378 HydrophobicContact CG2-CG 3.88Å; I365-R378 PolarHBondContact O-N 3.47Å; I365-I401 HydrophobicContact CD1-CG2 3.95Å; I365-I401 HydrophobicContact CG1-CG2 4.46Å; I365-C402 WeakPolarHBondContact CA-O 3.47Å; I365-L403 HydrophobicContact CB-CD2 4.45Å; I365-L403 HydrophobicContact CD1-CD2 4.06Å; I365-L403 HydrophobicContact CG1-CD2 4.26Å; I365-F417 HydrophobicContact CD1-CE2 4.43Å
366	F	94.9	Very high	91.6	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145.8	164.3	67	-89	0	0	0	111.2	Y305 K338 R368 T376 I377 C402 D404	Y305-F366 HydrophobicContact CD1-CB 4.41Å; Y305-F366 HydrophobicContact CD1-CD1 4.16Å; Y305-F366 HydrophobicContact CD1-CG 4.19Å; K338-F366 HydrophobicContact CD-CE1 4.2Å; K338-F366 HydrophobicContact CD-CZ 4.08Å; F366-R368 HydrophobicContact CD2-CG 4.22Å; F366-R368 HydrophobicContact CE2-CG 4.32Å; F366-T376 CarbonylContact C-O 3.54Å; F366-T376 WeakPolarHBondContact CA-O 3.26Å; F366-T376 WeakPolarHBondContact CB-O 3.44Å; F366-I377 HydrophobicContact CB-CG1 4.05Å; F366-C402 HydrophobicContact CD1-CB 3.86Å; F366-C402 HydrophobicContact CD2-CB 3.92Å; F366-C402 HydrophobicContact CE1-CB 3.5Å; F366-C402 HydrophobicContact CE2-CB 3.56Å; F366-C402 VanDerWaalsContact CE2-SG 3.53Å; F366-C402 HydrophobicContact CG-CB 4.07Å; F366-C402 HydrophobicContact CZ-CB 3.34Å; F366-C402 PolarHBondContact N-O 3.03Å; F366-C402 PolarHBondContact O-N 2.85Å; F366-D404 HydrophobicContact CD1-CB 4.43Å; F366-D404 HydrophobicContact CE1-CB 4.41Å
367	I	95.6	Very high	91.9	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.8	-179.5	-59.2	177.9	0	0	0	108	V351 P374 I375 T376 V386 I388 Y399 A400 I401	V351-I367 HydrophobicContact CB-CD1 4.24Å; V351-I367 HydrophobicContact CG2-CD1 3.86Å; I367-P374 CarbonylContact O-C 3.47Å; I367-P374 WeakPolarHBondContact O-CA 3.38Å; I367-I375 HydrophobicContact CB-CG1 4.35Å; I367-I375 HydrophobicContact CG2-CD1 4.13Å; I367-I375 HydrophobicContact CG2-CG1 4.07Å; I367-I375 WeakPolarHBondContact O-CG1 3.49Å; I367-I375 PolarHBondContact O-N 3.36Å; I367-T376 PolarHBondContact N-O 3.29Å; I367-T376 PolarHBondContact O-N 2.97Å; I367-V386 HydrophobicContact CD1-CB 4.48Å; I367-V386 HydrophobicContact CD1-CG1 4.09Å; I367-I388 HydrophobicContact CD1-CD1 4Å; I367-I388 HydrophobicContact CD1-CG1 4.09Å; I367-I388 HydrophobicContact CG2-CD1 4.37Å; I367-Y399 HydrophobicContact CG2-CD1 4.39Å; I367-A400 WeakPolarHBondContact CA-O 3.49Å; I367-I401 HydrophobicContact CD1-CG1 4.46Å; I367-I401 HydrophobicContact CD1-CG2 4.42Å; I367-I401 HydrophobicContact CG1-CB 4.47Å; I367-I401 HydrophobicContact CG1-CG1 4.24Å; I367-I401 HydrophobicContact CG1-CG2 4.09Å; I367-I401 HydrophobicContact CG2-CG1 4.24Å
368	R	94.8	Very high	92.3	Very high	17 Å²	17	42.8 Å²	42.8	6%	0.064	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	140.4	175.7	-71.4	165.6	152.2	-87	-29.7	110.6	Y305 F366 G372 E373 P374 Y399 A400	Y305-R368 PolarHBondContact O-NE 3.36Å; Y305-R368 PolarHBondContact O-NH2 3.45Å; F366-R368 HydrophobicContact CD2-CG 4.22Å; F366-R368 HydrophobicContact CE2-CG 4.32Å; R368-G372 PolarHBondContact NH1-O 3.2Å; R368-G372 PolarHBondContact NH2-O 3.39Å; R368-E373 VanDerWaalsContact CA-O 3.29Å; R368-E373 WeakPolarHBondContact CA-O 3.41Å; R368-P374 HydrophobicContact CG-CB 4.44Å; R368-Y399 WeakPolarHBondContact O-CA 3.49Å; R368-Y399 WeakPolarHBondContact O-CD1 3.3Å; R368-A400 HydrophobicContact CB-CB 4.23Å; R368-A400 PolarHBondContact N-O 2.65Å; R368-A400 PolarHBondContact O-N 3.32Å
369	D	94.6	Very high	92.7	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.102	25%	0.245	C	C	.	.			trans	-76.6	174.9	170.1	76.7	5.8	0	0	0	112.2	E371 G372 E373 I375 F394 Y399	D369-E371 VanDerWaalsContact C-N 3.26Å; D369-E371 PolarHBondContact O-N 3.18Å; D369-E371 WeakPolarHBondContact OD1-CA 3.44Å; D369-E371 PolarHBondContact OD1-N 2.92Å; D369-G372 WeakPolarHBondContact O-CA 3.33Å; D369-G372 PolarHBondContact O-N 2.78Å; D369-G372 PolarHBondContact OD1-N 2.84Å; D369-E373 PolarHBondContact N-O 2.83Å; D369-E373 PolarHBondContact OD1-N 2.89Å; D369-I375 HydrophobicContact CB-CD1 4.44Å; D369-I375 HydrophobicContact CB-CG2 3.9Å; D369-F394 HydrophobicContact CB-CD2 4.35Å; D369-F394 HydrophobicContact CB-CE2 3.91Å; D369-F394 WeakPolarHBondContact OD2-CE2 3.42Å; D369-Y399 HydrophobicContact CB-CD1 4.46Å; D369-Y399 HydrophobicContact CB-CE1 4.09Å
370	P	93.7	Very high	93.2	Very high	23 Å²	23	45 Å²	45	15%	0.149	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.7	177.5	-21.1	33.6	0	0	0	116	G372 F394 M397 P398 Y399	P370-G372 VanDerWaalsContact C-N 3.32Å; P370-F394 HydrophobicContact CB-CD1 4.14Å; P370-F394 HydrophobicContact CB-CE1 4.32Å; P370-F394 HydrophobicContact CG-CB 4.02Å; P370-F394 HydrophobicContact CG-CD1 3.94Å; P370-F394 HydrophobicContact CG-CD2 4.37Å; P370-F394 HydrophobicContact CG-CE1 4.47Å; P370-F394 HydrophobicContact CG-CG 3.89Å; P370-M397 HydrophobicContact CB-CB 3.76Å; P370-M397 HydrophobicContact CB-CE 4.48Å; P370-M397 HydrophobicContact CG-CB 3.55Å; P370-P398 WeakPolarHBondContact CA-O 3.39Å; P370-Y399 HydrophobicContact CG-CD2 4.02Å; P370-Y399 HydrophobicContact CG-CE2 3.85Å
371	E	92.5	Very high	93.4	Very high	106 Å²	106	39.6 Å²	39.6	50%	0.495	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-12.3	168.1	-78.2	-178.4	-145.2	0	0	111.6	D369 F394	D369-E371 VanDerWaalsContact C-N 3.26Å; D369-E371 PolarHBondContact O-N 3.18Å; D369-E371 WeakPolarHBondContact OD1-CA 3.44Å; D369-E371 PolarHBondContact OD1-N 2.92Å; E371-F394 HydrophobicContact CB-CZ 4.28Å; E371-F394 HydrophobicContact CG-CE1 3.98Å; E371-F394 HydrophobicContact CG-CZ 3.79Å
372	G	89.4	Confident	93.4	Very high	10 Å²	10	38.7 Å²	38.7	10%	0.103	21%	0.21	C	C	.	.	S	Bend	trans	90	18	177.9	0	0	0	0	0	113.6	R368 D369 P370	R368-G372 PolarHBondContact NH1-O 3.2Å; R368-G372 PolarHBondContact NH2-O 3.39Å; D369-G372 WeakPolarHBondContact O-CA 3.33Å; D369-G372 PolarHBondContact O-N 2.78Å; D369-G372 PolarHBondContact OD1-N 2.84Å; P370-G372 VanDerWaalsContact C-N 3.32Å
373	E	91.5	Very high	93.4	Very high	59 Å²	59	40.5 Å²	40.5	28%	0.276	22%	0.22	S	C	.	.			trans	-89.5	138.3	173.9	-65.9	-58.4	156.2	0	0	110.7	R298 T301 R368 D369 I375	R298-E373 WeakPolarHBondContact CG-OE1 3.28Å; T301-E373 PolarHBondContact OG1-OE2 3.18Å; R368-E373 VanDerWaalsContact CA-O 3.29Å; R368-E373 WeakPolarHBondContact CA-O 3.41Å; D369-E373 PolarHBondContact N-O 2.83Å; D369-E373 PolarHBondContact OD1-N 2.89Å; E373-I375 PolarHBondContact O-N 2.93Å; E373-I375 VanDerWaalsContact O-N 3.17Å
374	P	93.1	Very high	93.1	Very high	29 Å²	29	41.6 Å²	41.6	19%	0.188	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	103.7	178.8	30.4	-32.3	0	0	0	110.6	T301 I367 R368 I377	T301-P374 HydrophobicContact CG2-CG 3.73Å; I367-P374 CarbonylContact O-C 3.47Å; I367-P374 WeakPolarHBondContact O-CA 3.38Å; R368-P374 HydrophobicContact CG-CB 4.44Å; P374-I377 HydrophobicContact CB-CD1 4.11Å; P374-I377 HydrophobicContact CB-CG1 4.14Å; P374-I377 HydrophobicContact CG-CD1 4.32Å
375	I	94.4	Very high	93	Very high	75 Å²	75	46.9 Å²	46.9	39%	0.385	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-22.6	-180	57.7	171.4	0	0	0	113.2	I367 D369 E373 I388 Y399	I367-I375 HydrophobicContact CB-CG1 4.35Å; I367-I375 HydrophobicContact CG2-CD1 4.13Å; I367-I375 HydrophobicContact CG2-CG1 4.07Å; I367-I375 WeakPolarHBondContact O-CG1 3.49Å; I367-I375 PolarHBondContact O-N 3.36Å; D369-I375 HydrophobicContact CB-CD1 4.44Å; D369-I375 HydrophobicContact CB-CG2 3.9Å; E373-I375 PolarHBondContact O-N 2.93Å; E373-I375 VanDerWaalsContact O-N 3.17Å; I375-I388 HydrophobicContact CD1-CD1 4.02Å; I375-I388 HydrophobicContact CD1-CG2 3.87Å; I375-Y399 HydrophobicContact CD1-CD1 4Å; I375-Y399 HydrophobicContact CD1-CE1 3.7Å
376	T	93.6	Very high	92.9	Very high	23 Å²	23	47.1 Å²	47.1	14%	0.141	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	137.3	171.5	-50.4	0	0	0	0	109.7	F366 I367 R378 V386 I388	F366-T376 CarbonylContact C-O 3.54Å; F366-T376 WeakPolarHBondContact CA-O 3.26Å; F366-T376 WeakPolarHBondContact CB-O 3.44Å; I367-T376 PolarHBondContact N-O 3.29Å; I367-T376 PolarHBondContact O-N 2.97Å; T376-R378 HydrophobicContact CG2-CG 4.35Å; T376-V386 HydrophobicContact CG2-CG1 3.76Å; T376-V386 HydrophobicContact CG2-CG2 4.26Å; T376-I388 WeakPolarHBondContact OG1-CD1 3.37Å
377	I	95	Very high	92.8	Very high	70 Å²	70	51 Å²	51	36%	0.359	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.2	167.6	-58	169.6	0	0	0	106.8	Y305 F366 P374	Y305-I377 HydrophobicContact CD1-CD1 4.05Å; Y305-I377 HydrophobicContact CD1-CG1 4.35Å; Y305-I377 HydrophobicContact CD1-CG2 4.43Å; Y305-I377 HydrophobicContact CD2-CD1 3.81Å; Y305-I377 HydrophobicContact CE1-CD1 4.04Å; Y305-I377 HydrophobicContact CE1-CG1 4.32Å; Y305-I377 HydrophobicContact CE1-CG2 3.64Å; Y305-I377 HydrophobicContact CE2-CD1 3.8Å; Y305-I377 HydrophobicContact CG-CD1 3.95Å; F366-I377 HydrophobicContact CB-CG1 4.05Å; P374-I377 HydrophobicContact CB-CD1 4.11Å; P374-I377 HydrophobicContact CB-CG1 4.14Å; P374-I377 HydrophobicContact CG-CD1 4.32Å
378	R	94.4	Very high	92.8	Very high	85 Å²	85	51.3 Å²	51.3	32%	0.321	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143.9	168.6	-59	-62.4	-167.3	-169.2	1.4	109.5	I365 T376 V386	I365-R378 HydrophobicContact CG2-CB 3.75Å; I365-R378 HydrophobicContact CG2-CG 3.88Å; I365-R378 PolarHBondContact O-N 3.47Å; T376-R378 HydrophobicContact CG2-CG 4.35Å; R378-V386 HydrophobicContact CG-CG2 4.42Å
379	P	93.1	Very high	92.7	Very high	82 Å²	82	55.2 Å²	55.2	53%	0.532	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	173.2	170.5	32.7	-36.7	0	0	0	110.7	L381	P379-L381 HydrophobicContact CG-CG 4.4Å; P379-L381 PolarHBondContact O-N 3.1Å
380	P	93.5	Very high	92.6	Very high	39 Å²	39	54.6 Å²	54.6	25%	0.253	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	120.5	171.5	-23.8	34.8	0	0	0	112.4	D362 I363 K407	D362-P380 HydrophobicContact CB-CB 3.78Å; I363-P380 WeakPolarHBondContact O-CA 3.49Å; P380-K407 HydrophobicContact CG-CD 3.92Å
381	L	92.5	Very high	92.5	Very high	64 Å²	64	55.5 Å²	55.5	34%	0.335	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	165.3	177.3	-62.6	171.4	0	0	0	109.8	D362 I363 P379	D362-L381 CarbonylContact C-O 3.47Å; D362-L381 WeakPolarHBondContact CA-O 3.41Å; I363-L381 PolarHBondContact N-O 2.83Å; I363-L381 PolarHBondContact O-N 2.85Å; I363-L381 VanDerWaalsContact O-N 3.1Å; P379-L381 HydrophobicContact CG-CG 4.4Å; P379-L381 PolarHBondContact O-N 3.1Å
382	S	89.8	Confident	92.3	Very high	60 Å²	60	58.8 Å²	58.8	42%	0.42	33%	0.327	S	S	.	.	S	Bend	trans	-71.9	-36	174.4	42.8	0	0	0	0	113.4	Q354 V355 L361	Q354-S382 WeakPolarHBondContact CA-O 3.3Å; V355-S382 PolarHBondContact N-O 3.25Å; L361-S382 VanDerWaalsContact O-CA 3.3Å; L361-S382 WeakPolarHBondContact O-CA 3.15Å
383	D	92.4	Very high	92.4	Very high	79 Å²	79	66 Å²	66	42%	0.422	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	149.2	-172.1	54.4	-59.6	0	0	0	109.6	Y353 Q354	Y353-D383 VanDerWaalsContact O-CA 3.23Å; Y353-D383 WeakPolarHBondContact O-CA 3.41Å; Q354-D383 HydrophobicContact CB-CB 4.46Å; Q354-D383 HydrophobicContact CG-CB 4.46Å
384	S	88	Confident	92.4	Very high	24 Å²	24	64.1 Å²	64.1	17%	0.168	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	143.4	169	-175.3	0	0	0	0	110.4	Y353	Y353-S384 WeakPolarHBondContact CD1-O 3.35Å; Y353-S384 PolarHBondContact N-O 3.23Å; Y353-S384 VanDerWaalsContact N-O 3.17Å; Y353-S384 PolarHBondContact O-N 2.8Å
385	Q	91.9	Very high	92.1	Very high	116 Å²	116	65.3 Å²	65.3	54%	0.542	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	150.4	161.9	-158.3	177.8	20.4	0	0	110.1	V351 E352	V351-Q385 CarbonylContact O-C 3.59Å; V351-Q385 WeakPolarHBondContact O-CA 3.34Å; E352-Q385 HydrophobicContact CB-CG 4.43Å
386	V	91.9	Very high	91.7	Very high	7 Å²	7	66.5 Å²	66.5	4%	0.042	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	115.5	176.6	179.3	0	0	0	0	110.2	D350 V351 I367 T376 R378 I388	D350-V386 CarbonylContact C-O 3.54Å; D350-V386 WeakPolarHBondContact CA-O 3.49Å; V351-V386 PolarHBondContact N-O 3.38Å; V351-V386 PolarHBondContact O-N 3.12Å; I367-V386 HydrophobicContact CD1-CB 4.48Å; I367-V386 HydrophobicContact CD1-CG1 4.09Å; T376-V386 HydrophobicContact CG2-CG1 3.76Å; T376-V386 HydrophobicContact CG2-CG2 4.26Å; R378-V386 HydrophobicContact CG-CG2 4.42Å; V386-I388 HydrophobicContact CG1-CD1 3.76Å; V386-I388 HydrophobicContact CG1-CG1 4.37Å
387	S	93.5	Very high	91.5	Very high	82 Å²	82	67.1 Å²	67.1	57%	0.573	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.4	173	-55.1	0	0	0	0	112.4	D350	D350-S387 WeakPolarHBondContact OD1-CA 3.41Å; D350-S387 WeakPolarHBondContact OD1-CB 3.31Å; D350-S387 PolarHBondContact OD1-OG 3.38Å
388	I	94.3	Very high	91.4	Very high	8 Å²	8	64 Å²	64	4%	0.041	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.5	178.5	-56.7	-60.2	0	0	0	110.4	N348 F349 I367 I375 T376 V386 V390 Y399	N348-I388 WeakPolarHBondContact CA-O 3.35Å; N348-I388 WeakPolarHBondContact CB-O 3.44Å; F349-I388 HydrophobicContact CD1-CB 4.05Å; F349-I388 HydrophobicContact CD1-CG2 4.2Å; F349-I388 HydrophobicContact CD2-CB 4.26Å; F349-I388 HydrophobicContact CD2-CG1 4.32Å; F349-I388 HydrophobicContact CE1-CB 3.72Å; F349-I388 HydrophobicContact CE1-CG1 4.34Å; F349-I388 HydrophobicContact CE1-CG2 3.51Å; F349-I388 HydrophobicContact CE2-CB 3.96Å; F349-I388 HydrophobicContact CE2-CG1 3.75Å; F349-I388 HydrophobicContact CE2-CG2 4.45Å; F349-I388 HydrophobicContact CG-CB 4.32Å; F349-I388 HydrophobicContact CZ-CB 3.69Å; F349-I388 HydrophobicContact CZ-CG1 3.77Å; F349-I388 HydrophobicContact CZ-CG2 3.68Å; F349-I388 PolarHBondContact N-O 3.4Å; F349-I388 VanDerWaalsContact N-O 3.12Å; F349-I388 PolarHBondContact O-N 2.95Å; I367-I388 HydrophobicContact CD1-CD1 4Å; I367-I388 HydrophobicContact CD1-CG1 4.09Å; I367-I388 HydrophobicContact CG2-CD1 4.37Å; I375-I388 HydrophobicContact CD1-CD1 4.02Å; I375-I388 HydrophobicContact CD1-CG2 3.87Å; T376-I388 WeakPolarHBondContact OG1-CD1 3.37Å; V386-I388 HydrophobicContact CG1-CD1 3.76Å; V386-I388 HydrophobicContact CG1-CG1 4.37Å; I388-V390 HydrophobicContact CG2-CG2 4.11Å; I388-V390 PolarHBondContact O-N 2.86Å; I388-Y399 HydrophobicContact CG2-CD1 4.47Å; I388-Y399 HydrophobicContact CG2-CE1 4Å
389	S	93.6	Very high	91.3	Very high	100 Å²	100	60 Å²	60	70%	0.699	32%	0.322	S	S	*	.			trans	-77.1	115.9	169.2	-71.3	0	0	0	0	110.3	N348 P391	N348-S389 WeakPolarHBondContact OD1-CA 3.25Å; S389-P391 WeakPolarHBondContact O-CD 3.47Å
390	V	92.4	Very high	91.4	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.03	30%	0.296	C	S	.	.			trans	-97.6	112.7	-172.8	175.6	0	0	0	0	111.3	P345 T347 N348 F349 I388 F394 R395 Y399	P345-V390 HydrophobicContact CB-CG2 4.12Å; P345-V390 HydrophobicContact CG-CG1 4.12Å; P345-V390 HydrophobicContact CG-CG2 3.94Å; T347-V390 WeakPolarHBondContact O-CB 3.44Å; T347-V390 VanDerWaalsContact O-CG2 3.25Å; T347-V390 WeakPolarHBondContact O-CG2 3.48Å; N348-V390 PolarHBondContact OD1-N 2.85Å; F349-V390 HydrophobicContact CD1-CG2 3.54Å; F349-V390 HydrophobicContact CE1-CG2 3.57Å; I388-V390 HydrophobicContact CG2-CG2 4.11Å; I388-V390 PolarHBondContact O-N 2.86Å; V390-F394 HydrophobicContact CG1-CB 4.41Å; V390-R395 HydrophobicContact CG1-CG 3.57Å; V390-R395 PolarHBondContact O-NE 2.85Å; V390-R395 PolarHBondContact O-NH2 3.47Å; V390-Y399 HydrophobicContact CG1-CE2 4.19Å; V390-Y399 HydrophobicContact CG2-CE2 4.29Å
391	P	92.6	Very high	91.5	Very high	43 Å²	43	54.3 Å²	54.3	28%	0.279	29%	0.285	S	S	.	.			trans	-57.9	145.7	175.2	-23.3	33.8	0	0	0	111.9	S389 Y393 F394	S389-P391 WeakPolarHBondContact O-CD 3.47Å; P391-Y393 HydrophobicContact CB-CD1 3.98Å; P391-Y393 HydrophobicContact CB-CD2 4.43Å; P391-Y393 HydrophobicContact CB-CE1 3.47Å; P391-Y393 VanDerWaalsContact CB-CE1 3.47Å; P391-Y393 HydrophobicContact CB-CE2 3.98Å; P391-Y393 HydrophobicContact CB-CG 4.43Å; P391-Y393 VanDerWaalsContact CB-CZ 3.46Å; P391-Y393 HydrophobicContact CG-CE1 4.49Å; P391-Y393 PolarHBondContact O-N 2.92Å; P391-F394 HydrophobicContact CB-CD2 4.39Å; P391-F394 HydrophobicContact CG-CD2 3.94Å; P391-F394 PolarHBondContact O-N 3.48Å
392	K	87.8	Confident	91.6	Very high	175 Å²	175	51.3 Å²	51.3	76%	0.761	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-29.4	-175.3	-66.6	-175	178.4	-177.9	0	114.2
393	Y	90.7	Very high	91.8	Very high	162 Å²	162	48.4 Å²	48.4	64%	0.635	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.9	-179.8	55.7	-94.8	0	0	0	114.5	P391	P391-Y393 HydrophobicContact CB-CD1 3.98Å; P391-Y393 HydrophobicContact CB-CD2 4.43Å; P391-Y393 HydrophobicContact CB-CE1 3.47Å; P391-Y393 VanDerWaalsContact CB-CE1 3.47Å; P391-Y393 HydrophobicContact CB-CE2 3.98Å; P391-Y393 HydrophobicContact CB-CG 4.43Å; P391-Y393 VanDerWaalsContact CB-CZ 3.46Å; P391-Y393 HydrophobicContact CG-CE1 4.49Å; P391-Y393 PolarHBondContact O-N 2.92Å
394	F	91.9	Very high	92	Very high	18 Å²	18	45.4 Å²	45.4	8%	0.079	23%	0.233	C	C	.	.	S	Bend	trans	-103.6	5.8	174.7	-74.3	-16.6	0	0	0	113.2	D369 P370 E371 V390 P391 M397 Y399	D369-F394 HydrophobicContact CB-CD2 4.35Å; D369-F394 HydrophobicContact CB-CE2 3.91Å; D369-F394 WeakPolarHBondContact OD2-CE2 3.42Å; P370-F394 HydrophobicContact CB-CD1 4.14Å; P370-F394 HydrophobicContact CB-CE1 4.32Å; P370-F394 HydrophobicContact CG-CB 4.02Å; P370-F394 HydrophobicContact CG-CD1 3.94Å; P370-F394 HydrophobicContact CG-CD2 4.37Å; P370-F394 HydrophobicContact CG-CE1 4.47Å; P370-F394 HydrophobicContact CG-CG 3.89Å; E371-F394 HydrophobicContact CB-CZ 4.28Å; E371-F394 HydrophobicContact CG-CE1 3.98Å; E371-F394 HydrophobicContact CG-CZ 3.79Å; V390-F394 HydrophobicContact CG1-CB 4.41Å; P391-F394 HydrophobicContact CB-CD2 4.39Å; P391-F394 HydrophobicContact CG-CD2 3.94Å; P391-F394 PolarHBondContact O-N 3.48Å; F394-M397 WeakPolarHBondContact O-CB 3.49Å; F394-M397 PolarHBondContact O-N 2.88Å; F394-Y399 HydrophobicContact CB-CE2 4.13Å; F394-Y399 WeakPolarHBondContact CB-OH 3.5Å
395	R	87	Confident	92.3	Very high	54 Å²	54	44.4 Å²	44.4	20%	0.204	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	143.6	174.4	-66.7	170.2	-172.4	-173.1	-8	110.5	P345 I346 V390 M397	P345-R395 CarbonylContact O-C 3.57Å; P345-R395 WeakPolarHBondContact O-CA 3.38Å; I346-R395 WeakPolarHBondContact O-CD 3.46Å; V390-R395 HydrophobicContact CG1-CG 3.57Å; V390-R395 PolarHBondContact O-NE 2.85Å; V390-R395 PolarHBondContact O-NH2 3.47Å; R395-M397 PolarHBondContact O-N 2.86Å
396	L	86.5	Confident	92.3	Very high	101 Å²	101	42.2 Å²	42.2	53%	0.529	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	6.2	-171.9	-51.8	173.7	0	0	0	114.4	K344 P345 I346	K344-L396 WeakPolarHBondContact CD-O 3.46Å; P345-L396 PolarHBondContact O-N 3.44Å; I346-L396 HydrophobicContact CG1-CD2 3.8Å
397	M	89.2	Confident	92	Very high	35 Å²	35	48.1 Å²	48.1	17%	0.172	24%	0.237	C	C	.	.	S	Bend	trans	-95.3	146.9	174.1	-62	-68.3	-60.5	0	0	109.5	R316 P370 F394 R395 Y399	R316-M397 HydrophobicContact CB-CE 4.37Å; R316-M397 HydrophobicContact CG-CE 4.27Å; R316-M397 HydrophobicContact CG-SD 4.02Å; P370-M397 HydrophobicContact CB-CB 3.76Å; P370-M397 HydrophobicContact CB-CE 4.48Å; P370-M397 HydrophobicContact CG-CB 3.55Å; F394-M397 WeakPolarHBondContact O-CB 3.49Å; F394-M397 PolarHBondContact O-N 2.88Å; R395-M397 PolarHBondContact O-N 2.86Å; M397-Y399 PolarHBondContact O-N 3.3Å
398	P	91.7	Very high	91.7	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.026	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-74.4	122	-173.7	29.4	-33.7	0	0	0	112.2	L313 P314 Y343 K344 P370	L313-P398 HydrophobicContact CD2-CB 4.4Å; L313-P398 HydrophobicContact CD2-CG 4.39Å; L313-P398 WeakPolarHBondContact CD2-O 3.28Å; P314-P398 HydrophobicContact CG-CB 3.87Å; P314-P398 HydrophobicContact CG-CG 3.97Å; Y343-P398 CarbonylContact O-C 3.59Å; Y343-P398 WeakPolarHBondContact O-CA 3.28Å; K344-P398 HydrophobicContact CG-CB 4.26Å; P370-P398 WeakPolarHBondContact CA-O 3.39Å
399	Y	93.8	Very high	91.2	Very high	3 Å²	3	49 Å²	49	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	148	159.2	-73.4	-111.1	0	0	0	108.5	F342 Y343 P345 F349 I367 R368 D369 P370 I375 I388 V390 F394 M397	F342-Y399 VanDerWaalsContact CA-O 3.32Å; F342-Y399 WeakPolarHBondContact CA-O 3.36Å; Y343-Y399 PolarHBondContact N-O 2.61Å; Y343-Y399 PolarHBondContact O-N 3.45Å; P345-Y399 HydrophobicContact CG-CD2 3.57Å; P345-Y399 HydrophobicContact CG-CE2 3.58Å; F349-Y399 HydrophobicContact CE1-CD1 4.16Å; F349-Y399 HydrophobicContact CE1-CD2 4.25Å; F349-Y399 HydrophobicContact CE1-CE1 4.35Å; F349-Y399 HydrophobicContact CE1-CE2 4.45Å; F349-Y399 HydrophobicContact CE1-CG 4.12Å; F349-Y399 AromaticContact CZ-CD1 3.98Å; F349-Y399 HydrophobicContact CZ-CD1 3.98Å; F349-Y399 HydrophobicContact CZ-CG 4.01Å; I367-Y399 HydrophobicContact CG2-CD1 4.39Å; R368-Y399 WeakPolarHBondContact O-CA 3.49Å; R368-Y399 WeakPolarHBondContact O-CD1 3.3Å; D369-Y399 HydrophobicContact CB-CD1 4.46Å; D369-Y399 HydrophobicContact CB-CE1 4.09Å; P370-Y399 HydrophobicContact CG-CD2 4.02Å; P370-Y399 HydrophobicContact CG-CE2 3.85Å; I375-Y399 HydrophobicContact CD1-CD1 4Å; I375-Y399 HydrophobicContact CD1-CE1 3.7Å; I388-Y399 HydrophobicContact CG2-CD1 4.47Å; I388-Y399 HydrophobicContact CG2-CE1 4Å; V390-Y399 HydrophobicContact CG1-CE2 4.19Å; V390-Y399 HydrophobicContact CG2-CE2 4.29Å; F394-Y399 HydrophobicContact CB-CE2 4.13Å; F394-Y399 WeakPolarHBondContact CB-OH 3.5Å; M397-Y399 PolarHBondContact O-N 3.3Å
400	A	94.6	Very high	90.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.6	173	0	0	0	0	0	110.1	L307 L313 Y341 F342 I367 R368	L307-A400 HydrophobicContact CD1-CB 4.38Å; L307-A400 HydrophobicContact CD2-CB 4.45Å; L313-A400 HydrophobicContact CD2-CB 4.06Å; Y341-A400 WeakPolarHBondContact O-CA 3.12Å; F342-A400 HydrophobicContact CD1-CB 3.76Å; F342-A400 HydrophobicContact CE1-CB 3.6Å; I367-A400 WeakPolarHBondContact CA-O 3.49Å; R368-A400 HydrophobicContact CB-CB 4.23Å; R368-A400 PolarHBondContact N-O 2.65Å; R368-A400 PolarHBondContact O-N 3.32Å
401	I	94.4	Very high	90.5	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	112.3	179.8	-56.8	163.8	0	0	0	107.6	C340 Y341 F349 V351 I365 I367 F417 V419	C340-I401 WeakPolarHBondContact CA-O 3.33Å; Y341-I401 PolarHBondContact N-O 3.2Å; Y341-I401 PolarHBondContact O-N 3.27Å; F349-I401 HydrophobicContact CE2-CD1 3.95Å; V351-I401 HydrophobicContact CG1-CG2 4.08Å; V351-I401 HydrophobicContact CG2-CD1 3.9Å; I365-I401 HydrophobicContact CD1-CG2 3.95Å; I365-I401 HydrophobicContact CG1-CG2 4.46Å; I367-I401 HydrophobicContact CD1-CG1 4.46Å; I367-I401 HydrophobicContact CD1-CG2 4.42Å; I367-I401 HydrophobicContact CG1-CB 4.47Å; I367-I401 HydrophobicContact CG1-CG1 4.24Å; I367-I401 HydrophobicContact CG1-CG2 4.09Å; I367-I401 HydrophobicContact CG2-CG1 4.24Å; I401-F417 HydrophobicContact CB-CZ 4.12Å; I401-F417 HydrophobicContact CD1-CZ 4.2Å; I401-F417 HydrophobicContact CG2-CE2 3.49Å; I401-F417 VanDerWaalsContact CG2-CE2 3.49Å; I401-F417 HydrophobicContact CG2-CZ 3.5Å; I401-F417 VanDerWaalsContact CG2-CZ 3.5Å; I401-V419 HydrophobicContact CD1-CG1 4.29Å; I401-V419 HydrophobicContact CD1-CG2 3.76Å
402	C	95.5	Very high	90.4	Very high	0 Å²	0	60 Å²	60	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.7	-167.8	-64	0	0	0	0	111.9	H339 C340 I365 F366	H339-C402 WeakPolarHBondContact O-CA 3.14Å; C340-C402 HydrophobicContact CB-CB 4.13Å; C340-C402 WeakPolarHBondContact CB-SG 3.11Å; C340-C402 WeakPolarHBondContact SG-CB 3.33Å; C340-C402 CovalentContact SG-SG 2.04Å; C340-C402 PolarHBondContact SG-SG 2.68Å; I365-C402 WeakPolarHBondContact CA-O 3.47Å; F366-C402 HydrophobicContact CD1-CB 3.86Å; F366-C402 HydrophobicContact CD2-CB 3.92Å; F366-C402 HydrophobicContact CE1-CB 3.5Å; F366-C402 HydrophobicContact CE2-CB 3.56Å; F366-C402 VanDerWaalsContact CE2-SG 3.53Å; F366-C402 HydrophobicContact CG-CB 4.07Å; F366-C402 HydrophobicContact CZ-CB 3.34Å; F366-C402 PolarHBondContact N-O 3.03Å; F366-C402 PolarHBondContact O-N 2.85Å
403	L	95	Very high	90.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	126.8	169.8	-63.4	178.2	0	0	0	109.4	V331 V333 K338 H339 Y341 I363 I365 V415 F417	V331-L403 HydrophobicContact CG2-CD1 3.58Å; V333-L403 HydrophobicContact CG2-CB 4.07Å; V333-L403 HydrophobicContact CG2-CD1 3.97Å; K338-L403 CarbonylContact C-O 3.53Å; K338-L403 WeakPolarHBondContact CA-O 3.29Å; H339-L403 PolarHBondContact N-O 2.85Å; H339-L403 PolarHBondContact O-N 3.44Å; Y341-L403 HydrophobicContact CE2-CD1 4.3Å; I363-L403 HydrophobicContact CD1-CB 3.89Å; I365-L403 HydrophobicContact CB-CD2 4.45Å; I365-L403 HydrophobicContact CD1-CD2 4.06Å; I365-L403 HydrophobicContact CG1-CD2 4.26Å; L403-V415 HydrophobicContact CD1-CB 4.22Å; L403-V415 HydrophobicContact CD1-CG1 3.99Å; L403-V415 HydrophobicContact CD2-CG1 4.47Å; L403-F417 HydrophobicContact CD2-CD2 4.35Å
404	D	94.6	Very high	90.5	Very high	16 Å²	16	46.4 Å²	46.4	9%	0.086	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	106.6	-171.8	-171.6	1.8	0	0	0	112.2	K338 I363 G364 F366 R406	K338-D404 HydrophobicContact CB-CB 4.33Å; I363-D404 WeakPolarHBondContact CG1-O 3.23Å; G364-D404 PolarHBondContact N-O 3.2Å; G364-D404 PolarHBondContact O-N 2.82Å; F366-D404 HydrophobicContact CD1-CB 4.43Å; F366-D404 HydrophobicContact CE1-CB 4.41Å; D404-R406 VanDerWaalsContact OD1-CB 3.29Å; D404-R406 WeakPolarHBondContact OD1-CB 3.49Å; D404-R406 VanDerWaalsContact OD1-CG 3.23Å; D404-R406 WeakPolarHBondContact OD1-CG 3.48Å; D404-R406 IonicContact OD1-CZ 2.71Å; D404-R406 PolarHBondContact OD1-N 3.47Å; D404-R406 IonicContact OD1-NE 2.63Å; D404-R406 PolarHBondContact OD1-NE 2.78Å; D404-R406 IonicContact OD1-NH2 3.53Å; D404-R406 IonicContact OD2-CZ 3.76Å; D404-R406 IonicContact OD2-NE 3.09Å; D404-R406 PolarHBondContact OD2-NE 3.04Å; D404-R406 IonicContact OD2-NH2 2.84Å; D404-R406 PolarHBondContact OD2-NH2 3.15Å
405	N	94.3	Very high	90.4	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	22%	0.216	C	C	.	.			trans	-110.9	17.7	177.8	-165	39.9	0	0	0	112.2	V333 P334 P335 G336 V337 I363 K407 A408 A411 K413	V333-N405 HydrophobicContact CB-CB 4.27Å; V333-N405 HydrophobicContact CG1-CB 3.58Å; V333-N405 PolarHBondContact O-ND2 2.94Å; P334-N405 VanDerWaalsContact C-ND2 3.3Å; P334-N405 PolarHBondContact O-ND2 2.76Å; P335-N405 WeakPolarHBondContact CA-ND2 3.48Å; G336-N405 PolarHBondContact N-O 3.39Å; V337-N405 CarbonylContact O-C 3.6Å; V337-N405 WeakPolarHBondContact O-CA 3.2Å; V337-N405 PolarHBondContact O-N 2.86Å; I363-N405 HydrophobicContact CD1-CB 4.07Å; I363-N405 HydrophobicContact CG1-CB 4.19Å; N405-K407 PolarHBondContact O-N 2.76Å; N405-K407 VanDerWaalsContact O-N 3.1Å; N405-A408 PolarHBondContact O-N 2.9Å; N405-A408 WeakPolarHBondContact OD1-CB 3.26Å; N405-A411 PolarHBondContact ND2-O 3.03Å; N405-K413 HydrophobicContact CB-CG 4.39Å; N405-K413 VanDerWaalsContact CG-CG 3.45Å; N405-K413 VanDerWaalsContact OD1-CE 3.29Å; N405-K413 WeakPolarHBondContact OD1-CE 3.31Å; N405-K413 WeakPolarHBondContact OD1-CG 3.49Å
406	R	92.3	Very high	90.6	Very high	70 Å²	70	45.4 Å²	45.4	26%	0.264	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.6	-177.9	-69.7	177.7	-68.1	-179.3	-4	114.1	E304 V337 D404	E304-R406 PolarHBondContact O-NH1 3.19Å; E304-R406 PolarHBondContact O-NH2 2.87Å; V337-R406 PolarHBondContact O-N 2.86Å; D404-R406 VanDerWaalsContact OD1-CB 3.29Å; D404-R406 WeakPolarHBondContact OD1-CB 3.49Å; D404-R406 VanDerWaalsContact OD1-CG 3.23Å; D404-R406 WeakPolarHBondContact OD1-CG 3.48Å; D404-R406 IonicContact OD1-CZ 2.71Å; D404-R406 PolarHBondContact OD1-N 3.47Å; D404-R406 IonicContact OD1-NE 2.63Å; D404-R406 PolarHBondContact OD1-NE 2.78Å; D404-R406 IonicContact OD1-NH2 3.53Å; D404-R406 IonicContact OD2-CZ 3.76Å; D404-R406 IonicContact OD2-NE 3.09Å; D404-R406 PolarHBondContact OD2-NE 3.04Å; D404-R406 IonicContact OD2-NH2 2.84Å; D404-R406 PolarHBondContact OD2-NH2 3.15Å
407	K	86.9	Confident	90.7	Very high	130 Å²	130	40.8 Å²	40.8	57%	0.565	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-17.8	177.1	-67.9	173.8	-179	172.3	0	113.1	P380 N405	P380-K407 HydrophobicContact CG-CD 3.92Å; N405-K407 PolarHBondContact O-N 2.76Å; N405-K407 VanDerWaalsContact O-N 3.1Å
408	A	87.2	Confident	90.7	Very high	14 Å²	14	39.2 Å²	39.2	12%	0.116	18%	0.184	C	C	.	.			trans	-81.9	118.5	174	0	0	0	0	0	110.9	P335 G336 N405 A411	P335-A408 WeakPolarHBondContact CA-O 3.32Å; P335-A408 HydrophobicContact CB-CB 4.47Å; P335-A408 WeakPolarHBondContact CB-O 3.43Å; G336-A408 PolarHBondContact N-O 2.85Å; N405-A408 PolarHBondContact O-N 2.9Å; N405-A408 WeakPolarHBondContact OD1-CB 3.26Å; A408-A411 HydrophobicContact CB-CB 4.42Å
409	S	83.8	Confident	90.6	Very high	95 Å²	95	39.2 Å²	39.2	66%	0.664	18%	0.184	S	C	*	.	S	Bend	trans	-76	-30.4	-178.4	-44.1	0	0	0	0	113.9
410	Y	83.5	Confident	90.2	Very high	213 Å²	213	41.7 Å²	41.7	84%	0.835	20%	0.197	S	C	*	.	S	Bend	trans	-139.9	-14.2	-172.6	-52.8	-67.9	0	0	0	114.7
411	A	86.9	Confident	89.9	Confident	26 Å²	26	42.1 Å²	42.1	22%	0.215	20%	0.201	C	C	.	.			trans	-96.6	121	-171.9	0	0	0	0	0	112.7	N405 A408	N405-A411 PolarHBondContact ND2-O 3.03Å; A408-A411 HydrophobicContact CB-CB 4.42Å
412	Y	91.7	Very high	89.5	Confident	139 Å²	139	45.1 Å²	45.1	55%	0.545	22%	0.217	S	C	.	.			trans	-65.3	150.1	158.7	-65.7	-101.3	0	0	0	109.7	I332 V333 P334 P335 G358	I332-Y412 HydrophobicContact CG2-CD1 3.89Å; V333-Y412 WeakPolarHBondContact O-CA 3.43Å; P334-Y412 HydrophobicContact CB-CD1 4.02Å; P334-Y412 HydrophobicContact CB-CE1 3.78Å; P334-Y412 HydrophobicContact CG-CD1 4.3Å; P334-Y412 HydrophobicContact CG-CE1 4.08Å; P335-Y412 HydrophobicContact CG-CE2 4.45Å; G358-Y412 WeakPolarHBondContact CA-O 3.42Å
413	K	91.3	Very high	88.9	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.4	172.8	-57.1	-67.9	-179.6	152.1	0	109.3	I332 V333 V355 G358 D362 I363 N405 V415	I332-K413 CarbonylContact C-O 3.56Å; I332-K413 WeakPolarHBondContact CA-O 3.3Å; V333-K413 HydrophobicContact CB-CB 4.43Å; V333-K413 PolarHBondContact N-O 2.74Å; V333-K413 PolarHBondContact O-N 2.64Å; V355-K413 HydrophobicContact CG1-CB 4.46Å; V355-K413 HydrophobicContact CG1-CD 4.02Å; G358-K413 VanDerWaalsContact O-CD 3.24Å; G358-K413 WeakPolarHBondContact O-CD 3.26Å; G358-K413 WeakPolarHBondContact O-CE 3.49Å; G358-K413 PolarHBondContact O-NZ 2.82Å; D362-K413 WeakPolarHBondContact O-CD 3.35Å; D362-K413 WeakPolarHBondContact O-CE 3.4Å; D362-K413 PolarHBondContact O-NZ 2.85Å; D362-K413 IonicContact OD1-NZ 2.62Å; D362-K413 PolarHBondContact OD1-NZ 2.69Å; I363-K413 HydrophobicContact CD1-CB 4.16Å; I363-K413 HydrophobicContact CD1-CG 4.25Å; N405-K413 HydrophobicContact CB-CG 4.39Å; N405-K413 VanDerWaalsContact CG-CG 3.45Å; N405-K413 VanDerWaalsContact OD1-CE 3.29Å; N405-K413 WeakPolarHBondContact OD1-CE 3.31Å; N405-K413 WeakPolarHBondContact OD1-CG 3.49Å; K413-V415 HydrophobicContact CB-CG2 3.74Å
414	N	88.7	Confident	88.2	Confident	52 Å²	52	49.3 Å²	49.3	28%	0.278	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.2	164.7	-61.2	-100.4	0	0	0	106.1	V331 V355 L356 K357	V331-N414 WeakPolarHBondContact O-CA 3.19Å; V355-N414 CarbonylContact C-O 3.43Å; L356-N414 PolarHBondContact N-O 2.88Å; K357-N414 HydrophobicContact CB-CB 4.2Å; K357-N414 PolarHBondContact N-O 3.44Å; K357-N414 PolarHBondContact O-N 2.92Å; K357-N414 PolarHBondContact O-ND2 2.81Å
415	V	90.4	Very high	87.4	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.2	-170.5	-174.5	0	0	0	0	108.3	V330 V331 V333 Y353 Q354 V355 I363 L403 K413	V330-V415 CarbonylContact C-O 3.59Å; V330-V415 WeakPolarHBondContact CA-O 3.33Å; V331-V415 HydrophobicContact CG2-CB 4.17Å; V331-V415 PolarHBondContact N-O 3.31Å; V331-V415 PolarHBondContact O-N 3.05Å; V333-V415 HydrophobicContact CG2-CG2 4.4Å; Y353-V415 HydrophobicContact CD2-CG1 4.25Å; Q354-V415 CarbonylContact O-C 3.48Å; Q354-V415 WeakPolarHBondContact O-CA 3.45Å; V355-V415 HydrophobicContact CG2-CG2 4.27Å; I363-V415 HydrophobicContact CD1-CG2 3.83Å; I363-V415 HydrophobicContact CG2-CG1 4.44Å; I363-V415 HydrophobicContact CG2-CG2 4.31Å; L403-V415 HydrophobicContact CD1-CB 4.22Å; L403-V415 HydrophobicContact CD1-CG1 3.99Å; L403-V415 HydrophobicContact CD2-CG1 4.47Å; K413-V415 HydrophobicContact CB-CG2 3.74Å
416	Y	89.8	Confident	86.7	Confident	51 Å²	51	63.4 Å²	63.4	20%	0.2	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135.7	160.8	177.4	-105.3	0	0	0	108.3	S328 L329 V330 Y353 Q354	S328-Y416 VanDerWaalsContact OG-CE2 3.3Å; S328-Y416 WeakPolarHBondContact OG-CE2 3.45Å; S328-Y416 PolarHBondContact OG-OH 2.85Å; L329-Y416 WeakPolarHBondContact O-CA 3.46Å; V330-Y416 HydrophobicContact CG2-CD2 4.12Å; Y353-Y416 CarbonylContact C-O 3.45Å; Y353-Y416 WeakPolarHBondContact CA-O 3.46Å; Y353-Y416 WeakPolarHBondContact CB-O 3.41Å; Q354-Y416 PolarHBondContact N-O 3.45Å; Q354-Y416 PolarHBondContact O-N 2.85Å
417	F	89.2	Confident	86.3	Confident	3 Å²	3	66.1 Å²	66.1	1%	0.013	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	124.3	-174.7	171.6	-99.4	0	0	0	109.4	L329 Y341 V351 E352 I365 I401 L403 V419	L329-F417 PolarHBondContact N-O 3.02Å; L329-F417 PolarHBondContact O-N 3.24Å; Y341-F417 HydrophobicContact CD2-CE1 4.5Å; V351-F417 HydrophobicContact CG1-CD2 4.24Å; V351-F417 HydrophobicContact CG1-CE2 3.48Å; V351-F417 VanDerWaalsContact CG1-CE2 3.48Å; V351-F417 HydrophobicContact CG1-CZ 4.13Å; E352-F417 WeakPolarHBondContact O-CA 3.46Å; I365-F417 HydrophobicContact CD1-CE2 4.43Å; I401-F417 HydrophobicContact CB-CZ 4.12Å; I401-F417 HydrophobicContact CD1-CZ 4.2Å; I401-F417 HydrophobicContact CG2-CE2 3.49Å; I401-F417 VanDerWaalsContact CG2-CE2 3.49Å; I401-F417 HydrophobicContact CG2-CZ 3.5Å; I401-F417 VanDerWaalsContact CG2-CZ 3.5Å; L403-F417 HydrophobicContact CD2-CD2 4.35Å; F417-V419 HydrophobicContact CD1-CG2 4.48Å; F417-V419 HydrophobicContact CE1-CG2 3.5Å; F417-V419 VanDerWaalsContact CE1-CG2 3.5Å; F417-V419 HydrophobicContact CE2-CG2 4.34Å; F417-V419 HydrophobicContact CZ-CG2 3.41Å; F417-V419 VanDerWaalsContact CZ-CG2 3.41Å
418	S	88.3	Confident	86.1	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	153.4	172	83.5	0	0	0	0	112.5	V327 V351 E352 D420	V327-S418 CarbonylContact O-C 3.59Å; V327-S418 WeakPolarHBondContact O-CA 3.23Å; V351-S418 WeakPolarHBondContact CA-O 3.47Å; E352-S418 PolarHBondContact N-O 3.27Å; E352-S418 VanDerWaalsContact N-O 3.16Å; E352-S418 PolarHBondContact O-N 3.09Å; S418-D420 WeakPolarHBondContact CB-OD2 3.37Å; S418-D420 PolarHBondContact OG-OD2 3.1Å
419	V	90.5	Very high	85.9	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.024	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	118	167.4	-172.2	0	0	0	0	107.2	F326 V327 Y343 F349 D350 V351 I401 F417	F326-V419 WeakPolarHBondContact CA-O 3.42Å; V327-V419 PolarHBondContact N-O 2.85Å; V327-V419 PolarHBondContact O-N 3.06Å; Y343-V419 HydrophobicContact CD1-CG1 3.69Å; Y343-V419 HydrophobicContact CD2-CB 4.48Å; Y343-V419 HydrophobicContact CD2-CG1 3.9Å; Y343-V419 HydrophobicContact CE1-CG1 3.55Å; Y343-V419 HydrophobicContact CE2-CB 4.41Å; Y343-V419 HydrophobicContact CE2-CG1 3.75Å; Y343-V419 HydrophobicContact CG-CG1 3.86Å; F349-V419 HydrophobicContact CB-CG1 4.45Å; F349-V419 HydrophobicContact CD2-CG1 3.73Å; F349-V419 HydrophobicContact CE2-CG1 4.36Å; F349-V419 HydrophobicContact CG-CG1 4.38Å; D350-V419 WeakPolarHBondContact O-CA 3.44Å; V351-V419 HydrophobicContact CG2-CG1 4.43Å; V351-V419 HydrophobicContact CG2-CG2 4.43Å; I401-V419 HydrophobicContact CD1-CG1 4.29Å; I401-V419 HydrophobicContact CD1-CG2 3.76Å; F417-V419 HydrophobicContact CD1-CG2 4.48Å; F417-V419 HydrophobicContact CE1-CG2 3.5Å; F417-V419 VanDerWaalsContact CE1-CG2 3.5Å; F417-V419 HydrophobicContact CE2-CG2 4.34Å; F417-V419 HydrophobicContact CZ-CG2 3.41Å; F417-V419 VanDerWaalsContact CZ-CG2 3.41Å
420	D	86.1	Confident	86	Confident	55 Å²	55	65.3 Å²	65.3	29%	0.294	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.7	-168.3	-62.4	-70.5	0	0	0	110.8	F326 F349 D350 S418 N422	F326-D420 HydrophobicContact CD1-CB 4.1Å; F326-D420 HydrophobicContact CE1-CB 4.38Å; F349-D420 CarbonylContact C-O 3.59Å; F349-D420 VanDerWaalsContact CA-O 3.24Å; F349-D420 WeakPolarHBondContact CA-O 3.34Å; F349-D420 WeakPolarHBondContact CB-O 3.45Å; D350-D420 PolarHBondContact N-O 2.84Å; D350-D420 PolarHBondContact O-N 2.88Å; S418-D420 WeakPolarHBondContact CB-OD2 3.37Å; S418-D420 PolarHBondContact OG-OD2 3.1Å; D420-N422 PolarHBondContact O-N 3.44Å
421	A	86.7	Confident	85.8	Confident	9 Å²	9	58.2 Å²	58.2	7%	0.074	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	114.7	-178.9	0	0	0	0	0	111.1	F326 T347 L423	F326-A421 HydrophobicContact CE1-CB 3.91Å; F326-A421 HydrophobicContact CE2-CB 4.37Å; F326-A421 HydrophobicContact CZ-CB 3.75Å; T347-A421 HydrophobicContact CG2-CB 3.88Å; A421-L423 HydrophobicContact CB-CD1 4Å; A421-L423 HydrophobicContact CB-CG 4.23Å; A421-L423 PolarHBondContact O-N 3.32Å; A421-L423 VanDerWaalsContact O-N 3.17Å
422	N	86.9	Confident	85.6	Confident	63 Å²	63	58.6 Å²	58.6	34%	0.337	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	106	178.5	-173.4	-62.2	0	0	0	108.8	N348 D350 D420	N348-N422 HydrophobicContact CB-CB 3.97Å; N348-N422 PolarHBondContact O-N 2.84Å; D350-N422 PolarHBondContact OD1-ND2 2.86Å; D350-N422 WeakPolarHBondContact OD2-CB 3.46Å; D350-N422 PolarHBondContact OD2-ND2 3Å; D420-N422 PolarHBondContact O-N 3.44Å
423	L	83.3	Confident	85.2	Confident	16 Å²	16	60 Å²	60	8%	0.084	30%	0.296	C	S	.	.			trans	-141.5	132.4	-171.8	-67.3	172.3	0	0	0	109.8	T347 A421 W425 E432 A435 I436 L439	T347-L423 HydrophobicContact CG2-CD2 3.57Å; T347-L423 HydrophobicContact CG2-CG 3.94Å; A421-L423 HydrophobicContact CB-CD1 4Å; A421-L423 HydrophobicContact CB-CG 4.23Å; A421-L423 PolarHBondContact O-N 3.32Å; A421-L423 VanDerWaalsContact O-N 3.17Å; L423-W425 HydrophobicContact CD1-CH2 4.43Å; L423-W425 HydrophobicContact CD1-CZ2 4.14Å; L423-W425 PolarHBondContact O-N 2.91Å; L423-E432 HydrophobicContact CD2-CB 3.86Å; L423-E432 HydrophobicContact CD2-CG 3.8Å; L423-A435 HydrophobicContact CD2-CB 4.02Å; L423-I436 HydrophobicContact CD1-CG1 4.04Å; L423-L439 HydrophobicContact CD1-CD1 3.66Å
424	N	80	Confident	84.8	Confident	72 Å²	72	65 Å²	65	39%	0.385	32%	0.319	S	S	.	.			trans	-76.6	108.7	168.6	-173.1	-29.2	0	0	0	110	D426 N427 P428 E432	N424-D426 PolarHBondContact OD1-N 3.02Å; N424-N427 PolarHBondContact OD1-N 3.26Å; N424-P428 WeakPolarHBondContact O-CA 3.3Å; N424-P428 VanDerWaalsContact O-CB 3.25Å; N424-P428 WeakPolarHBondContact O-CB 3.28Å; N424-P428 WeakPolarHBondContact O-CD 3.31Å; N424-E432 WeakPolarHBondContact CB-OE1 3.32Å; N424-E432 PolarHBondContact N-OE1 3.19Å
425	W	77.8	Confident	84.4	Confident	154 Å²	154	62.7 Å²	62.7	58%	0.583	31%	0.307	S	S	*	.	S	Bend	trans	-79.5	-32.4	-178.9	-67.4	100.9	0	0	0	113.8	F326 L423 I436	F326-W425 HydrophobicContact CZ-CZ2 4.31Å; L423-W425 HydrophobicContact CD1-CH2 4.43Å; L423-W425 HydrophobicContact CD1-CZ2 4.14Å; L423-W425 PolarHBondContact O-N 2.91Å; W425-I436 HydrophobicContact CE3-CD1 3.98Å; W425-I436 HydrophobicContact CE3-CG1 4.32Å; W425-I436 HydrophobicContact CH2-CG1 4.14Å; W425-I436 HydrophobicContact CZ3-CD1 3.94Å; W425-I436 HydrophobicContact CZ3-CG1 3.78Å; W425-I436 HydrophobicContact CZ3-CG2 4.03Å
426	D	80.2	Confident	84	Confident	162 Å²	162	64.4 Å²	64.4	87%	0.866	32%	0.316	S	S	*	.	S	Bend	trans	-74.5	-38.1	-177.8	-63.1	-51.1	0	0	0	112.5	N424	N424-D426 PolarHBondContact OD1-N 3.02Å
427	N	82.7	Confident	83.5	Confident	127 Å²	127	66.7 Å²	66.7	68%	0.679	33%	0.328	S	S	*	.	S	Bend	trans	-144.9	68.1	-178.5	-175.1	46.1	0	0	0	110.9	N424 S429	N424-N427 PolarHBondContact OD1-N 3.26Å; N427-S429 PolarHBondContact O-N 3.49Å
428	P	83.4	Confident	83	Confident	41 Å²	41	69.8 Å²	69.8	27%	0.266	35%	0.348	S	S	.	.			trans	-62.7	133.3	179.1	23.4	-32.6	0	0	0	111	N424 E432 I436	N424-P428 WeakPolarHBondContact O-CA 3.3Å; N424-P428 VanDerWaalsContact O-CB 3.25Å; N424-P428 WeakPolarHBondContact O-CB 3.28Å; N424-P428 WeakPolarHBondContact O-CD 3.31Å; P428-E432 HydrophobicContact CB-CB 3.79Å; P428-I436 HydrophobicContact CB-CD1 3.95Å; P428-I436 HydrophobicContact CG-CD1 4.25Å
429	S	83.7	Confident	82.3	Confident	54 Å²	54	70.5 Å²	70.5	38%	0.378	35%	0.351	S	S	.	.			trans	-60.7	161.3	164.6	68.5	0	0	0	0	110.9	N427 L431 E432 R433	N427-S429 PolarHBondContact O-N 3.49Å; S429-L431 PolarHBondContact O-N 2.86Å; S429-E432 WeakPolarHBondContact CB-OE2 3.43Å; S429-E432 PolarHBondContact N-OE2 2.84Å; S429-E432 PolarHBondContact O-N 2.93Å; S429-E432 WeakPolarHBondContact OG-CG 3.44Å; S429-E432 PolarHBondContact OG-N 3.39Å; S429-E432 PolarHBondContact OG-OE2 3.48Å; S429-R433 WeakPolarHBondContact O-CB 3.01Å; S429-R433 PolarHBondContact O-N 3.47Å
430	E	84.5	Confident	81.5	Confident	126 Å²	126	78.8 Å²	78.8	59%	0.589	38%	0.382	S	S	*	.	H	α-helix	trans	-52	-31	176.9	177.6	53.1	-148.7	0	0	113	Q434	E430-Q434 VanDerWaalsContact O-CG 3.28Å; E430-Q434 WeakPolarHBondContact O-CG 3.41Å; E430-Q434 PolarHBondContact O-N 2.91Å; E430-Q434 PolarHBondContact OE1-NE2 2.82Å
431	L	79.7	Confident	80.8	Confident	64 Å²	64	81 Å²	81	34%	0.335	39%	0.394	S	S	.	.	H	α-helix	trans	-71.3	-47.9	174	171.5	70	0	0	0	112.6	S429 R433 Q434 A435	S429-L431 PolarHBondContact O-N 2.86Å; L431-R433 PolarHBondContact O-N 3.18Å; L431-Q434 WeakPolarHBondContact O-CB 3.5Å; L431-Q434 PolarHBondContact O-N 3.4Å; L431-Q434 VanDerWaalsContact O-N 3.14Å; L431-A435 PolarHBondContact O-N 2.93Å
432	E	82.3	Confident	80	Confident	34 Å²	34	81.2 Å²	81.2	16%	0.159	39%	0.394	C	S	.	.	H	α-helix	trans	-65	-35.3	179.8	-68.7	161.3	104	0	0	110.3	L423 N424 P428 S429 Q434 A435 I436	L423-E432 HydrophobicContact CD2-CB 3.86Å; L423-E432 HydrophobicContact CD2-CG 3.8Å; N424-E432 WeakPolarHBondContact CB-OE1 3.32Å; N424-E432 PolarHBondContact N-OE1 3.19Å; P428-E432 HydrophobicContact CB-CB 3.79Å; S429-E432 WeakPolarHBondContact CB-OE2 3.43Å; S429-E432 PolarHBondContact N-OE2 2.84Å; S429-E432 PolarHBondContact O-N 2.93Å; S429-E432 WeakPolarHBondContact OG-CG 3.44Å; S429-E432 PolarHBondContact OG-N 3.39Å; S429-E432 PolarHBondContact OG-OE2 3.48Å; E432-Q434 VanDerWaalsContact C-N 3.33Å; E432-Q434 PolarHBondContact O-N 2.85Å; E432-A435 CarbonylContact O-C 3.59Å; E432-A435 WeakPolarHBondContact O-CA 3.11Å; E432-A435 WeakPolarHBondContact O-CB 3.45Å; E432-A435 PolarHBondContact O-N 2.84Å; E432-A435 VanDerWaalsContact O-N 3.13Å; E432-I436 VanDerWaalsContact O-CG1 3.26Å; E432-I436 WeakPolarHBondContact O-CG1 3.3Å; E432-I436 PolarHBondContact O-N 3.5Å
433	R	84.3	Confident	78.9	Confident	169 Å²	169	83 Å²	83	64%	0.638	41%	0.409	S	S	*	.	H	α-helix	trans	-58	-42.7	170.7	-170	-178.5	-171	124.2	7.3	112.5	S429 L431 A435 I436 E437	S429-R433 WeakPolarHBondContact O-CB 3.01Å; S429-R433 PolarHBondContact O-N 3.47Å; L431-R433 PolarHBondContact O-N 3.18Å; R433-A435 VanDerWaalsContact C-N 3.35Å; R433-I436 PolarHBondContact O-N 2.66Å; R433-E437 WeakPolarHBondContact O-CB 3.29Å; R433-E437 PolarHBondContact O-N 3.41Å
434	Q	82.6	Confident	77.9	Confident	105 Å²	105	85.3 Å²	85.3	49%	0.491	42%	0.421	S	S	.	.	H	α-helix	trans	-68	-34	175	-69.2	166.5	20.5	0	0	112	E430 L431 E432 T438	E430-Q434 VanDerWaalsContact O-CG 3.28Å; E430-Q434 WeakPolarHBondContact O-CG 3.41Å; E430-Q434 PolarHBondContact O-N 2.91Å; E430-Q434 PolarHBondContact OE1-NE2 2.82Å; L431-Q434 WeakPolarHBondContact O-CB 3.5Å; L431-Q434 PolarHBondContact O-N 3.4Å; L431-Q434 VanDerWaalsContact O-N 3.14Å; E432-Q434 VanDerWaalsContact C-N 3.33Å; E432-Q434 PolarHBondContact O-N 2.85Å; Q434-T438 WeakPolarHBondContact O-CB 3.45Å; Q434-T438 PolarHBondContact O-N 3.21Å; Q434-T438 PolarHBondContact O-OG1 3.42Å
435	A	80.9	Confident	77	Confident	4 Å²	4	85 Å²	85	3%	0.033	42%	0.421	C	S	.	.	H	α-helix	trans	-65.3	-51	171.4	0	0	0	0	0	111.4	I346 L423 L431 E432 R433 E437 T438 L439	I346-A435 HydrophobicContact CG2-CB 3.6Å; L423-A435 HydrophobicContact CD2-CB 4.02Å; L431-A435 PolarHBondContact O-N 2.93Å; E432-A435 CarbonylContact O-C 3.59Å; E432-A435 WeakPolarHBondContact O-CA 3.11Å; E432-A435 WeakPolarHBondContact O-CB 3.45Å; E432-A435 PolarHBondContact O-N 2.84Å; E432-A435 VanDerWaalsContact O-N 3.13Å; R433-A435 VanDerWaalsContact C-N 3.35Å; A435-E437 VanDerWaalsContact C-N 3.3Å; A435-E437 PolarHBondContact O-N 3.5Å; A435-T438 CarbonylContact O-C 3.6Å; A435-T438 WeakPolarHBondContact O-CA 3.38Å; A435-T438 WeakPolarHBondContact O-CB 3.3Å; A435-T438 PolarHBondContact O-N 2.9Å; A435-L439 VanDerWaalsContact O-CG 3.27Å; A435-L439 WeakPolarHBondContact O-CG 3.47Å; A435-L439 PolarHBondContact O-N 2.88Å
436	I	80.8	Confident	76.3	Confident	37 Å²	37	80.9 Å²	80.9	19%	0.19	41%	0.411	C	S	.	.	H	α-helix	trans	-55.5	-43.2	177.2	-68.2	163.8	0	0	0	111.5	L423 W425 P428 E432 R433 L439 R440	L423-I436 HydrophobicContact CD1-CG1 4.04Å; W425-I436 HydrophobicContact CE3-CD1 3.98Å; W425-I436 HydrophobicContact CE3-CG1 4.32Å; W425-I436 HydrophobicContact CH2-CG1 4.14Å; W425-I436 HydrophobicContact CZ3-CD1 3.94Å; W425-I436 HydrophobicContact CZ3-CG1 3.78Å; W425-I436 HydrophobicContact CZ3-CG2 4.03Å; P428-I436 HydrophobicContact CB-CD1 3.95Å; P428-I436 HydrophobicContact CG-CD1 4.25Å; E432-I436 VanDerWaalsContact O-CG1 3.26Å; E432-I436 WeakPolarHBondContact O-CG1 3.3Å; E432-I436 PolarHBondContact O-N 3.5Å; R433-I436 PolarHBondContact O-N 2.66Å; I436-L439 PolarHBondContact O-N 2.87Å; I436-R440 WeakPolarHBondContact O-CB 3.48Å; I436-R440 PolarHBondContact O-N 2.89Å
437	E	79.6	Confident	75.7	Confident	98 Å²	98	76.2 Å²	76.2	46%	0.458	39%	0.391	S	S	.	.	H	α-helix	trans	-68.7	-34.3	176.7	-167.3	60	-153.7	0	0	112.1	R433 A435 N441	R433-E437 WeakPolarHBondContact O-CB 3.29Å; R433-E437 PolarHBondContact O-N 3.41Å; A435-E437 VanDerWaalsContact C-N 3.3Å; A435-E437 PolarHBondContact O-N 3.5Å; E437-N441 WeakPolarHBondContact O-CB 3.46Å; E437-N441 PolarHBondContact O-N 2.89Å; E437-N441 VanDerWaalsContact O-N 3.14Å; E437-N441 PolarHBondContact O-ND2 2.87Å; E437-N441 PolarHBondContact OE1-ND2 2.8Å
438	T	78.3	Confident	74.8	Confident	68 Å²	68	73.4 Å²	73.4	42%	0.417	37%	0.374	S	S	.	.	H	α-helix	trans	-66.9	-44	173.6	-55.1	0	0	0	0	111.4	I346 Q434 A435 N441 N442	I346-T438 HydrophobicContact CD1-CG2 3.77Å; Q434-T438 WeakPolarHBondContact O-CB 3.45Å; Q434-T438 PolarHBondContact O-N 3.21Å; Q434-T438 PolarHBondContact O-OG1 3.42Å; A435-T438 CarbonylContact O-C 3.6Å; A435-T438 WeakPolarHBondContact O-CA 3.38Å; A435-T438 WeakPolarHBondContact O-CB 3.3Å; A435-T438 PolarHBondContact O-N 2.9Å; T438-N441 PolarHBondContact O-N 2.8Å; T438-N442 PolarHBondContact O-N 3.45Å
439	L	74.4	Confident	73.9	Confident	18 Å²	18	73.8 Å²	73.8	9%	0.094	38%	0.38	C	S	.	.	H	α-helix	trans	-59.1	-46.8	175.5	-67.9	168.4	0	0	0	111.1	D325 F326 I346 L423 A435 I436 N441 N442	D325-L439 HydrophobicContact CB-CD2 3.32Å; D325-L439 WeakPolarHBondContact OD2-CD2 3.2Å; F326-L439 HydrophobicContact CE2-CD1 4.06Å; F326-L439 HydrophobicContact CE2-CD2 4.21Å; F326-L439 HydrophobicContact CZ-CD1 4.49Å; I346-L439 HydrophobicContact CD1-CD2 4.34Å; L423-L439 HydrophobicContact CD1-CD1 3.66Å; A435-L439 VanDerWaalsContact O-CG 3.27Å; A435-L439 WeakPolarHBondContact O-CG 3.47Å; A435-L439 PolarHBondContact O-N 2.88Å; I436-L439 PolarHBondContact O-N 2.87Å; L439-N441 VanDerWaalsContact C-N 3.35Å; L439-N441 PolarHBondContact O-N 2.86Å; L439-N442 WeakPolarHBondContact O-CB 3.48Å; L439-N442 PolarHBondContact O-N 3.04Å
440	R	73.4	Confident	73.2	Confident	179 Å²	179	77.8 Å²	77.8	68%	0.675	39%	0.393	S	S	*	.	H	α-helix	trans	-64.9	-35	-178.8	-170.3	178.6	-167.2	157.7	8.9	113.4	I436 N442 N446	I436-R440 WeakPolarHBondContact O-CB 3.48Å; I436-R440 PolarHBondContact O-N 2.89Å; R440-N442 VanDerWaalsContact C-N 3.33Å; R440-N446 PolarHBondContact O-ND2 3.19Å
441	N	71.7	Confident	72.6	Confident	100 Å²	100	74.6 Å²	74.6	54%	0.535	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	2.2	-179.6	-71.1	-64.3	0	0	0	113.8	E437 T438 L439 P443	E437-N441 WeakPolarHBondContact O-CB 3.46Å; E437-N441 PolarHBondContact O-N 2.89Å; E437-N441 VanDerWaalsContact O-N 3.14Å; E437-N441 PolarHBondContact O-ND2 2.87Å; E437-N441 PolarHBondContact OE1-ND2 2.8Å; T438-N441 PolarHBondContact O-N 2.8Å; L439-N441 VanDerWaalsContact C-N 3.35Å; L439-N441 PolarHBondContact O-N 2.86Å; N441-P443 WeakPolarHBondContact O-CD 3.23Å
442	N	68.6	Low	71.9	Confident	15 Å²	15	73.2 Å²	73.2	8%	0.08	39%	0.386	C	S	.	.			trans	-64.4	122.8	179.6	-174.7	-27.2	0	0	0	111.2	Q323 T438 L439 R440 L444 V445 N446	Q323-N442 PolarHBondContact O-ND2 3.28Å; T438-N442 PolarHBondContact O-N 3.45Å; L439-N442 WeakPolarHBondContact O-CB 3.48Å; L439-N442 PolarHBondContact O-N 3.04Å; R440-N442 VanDerWaalsContact C-N 3.33Å; N442-L444 VanDerWaalsContact C-N 3.26Å; N442-L444 PolarHBondContact O-N 3.04Å; N442-L444 WeakPolarHBondContact OD1-CB 3.35Å; N442-L444 PolarHBondContact OD1-N 2.84Å; N442-V445 HydrophobicContact CB-CB 4.08Å; N442-V445 HydrophobicContact CB-CG2 3.84Å; N442-V445 PolarHBondContact O-N 2.91Å; N442-N446 PolarHBondContact O-N 2.86Å; N442-N446 PolarHBondContact O-ND2 3.02Å
443	P	65.4	Low	71.2	Confident	101 Å²	101	75.4 Å²	75.4	66%	0.656	41%	0.405	S	S	*	.	H	α-helix	trans	-62	-29.4	-179.1	-24.7	35	0	0	0	114.2	N441 S447	N441-P443 WeakPolarHBondContact O-CD 3.23Å; P443-S447 WeakPolarHBondContact O-CB 3.3Å; P443-S447 PolarHBondContact O-N 2.66Å; P443-S447 PolarHBondContact O-OG 2.68Å
444	L	62.6	Low	70.7	Confident	64 Å²	64	70.2 Å²	70.2	34%	0.335	40%	0.398	S	S	.	.	H	α-helix	trans	-68.7	-48.1	176.1	-176.9	62.8	0	0	0	110.4	N442 N446 S447 Q448	N442-L444 VanDerWaalsContact C-N 3.26Å; N442-L444 PolarHBondContact O-N 3.04Å; N442-L444 WeakPolarHBondContact OD1-CB 3.35Å; N442-L444 PolarHBondContact OD1-N 2.84Å; L444-N446 VanDerWaalsContact C-N 3.33Å; L444-N446 PolarHBondContact O-N 2.9Å; L444-S447 PolarHBondContact O-N 3.44Å; L444-S447 PolarHBondContact O-OG 3.05Å; L444-S447 VanDerWaalsContact O-OG 3.1Å; L444-Q448 HydrophobicContact CD1-CG 4.22Å; L444-Q448 HydrophobicContact CG-CG 4.49Å; L444-Q448 VanDerWaalsContact O-CB 3.29Å; L444-Q448 WeakPolarHBondContact O-CB 3.23Å; L444-Q448 VanDerWaalsContact O-CG 3.3Å; L444-Q448 WeakPolarHBondContact O-CG 3Å; L444-Q448 PolarHBondContact O-N 2.91Å
445	V	59.9	Low	70.3	Confident	64 Å²	64	70.6 Å²	70.6	39%	0.388	40%	0.4	S	S	.	.	H	α-helix	trans	-61.1	-41.5	176.2	179.1	0	0	0	0	111	N442 A449	N442-V445 HydrophobicContact CB-CB 4.08Å; N442-V445 HydrophobicContact CB-CG2 3.84Å; N442-V445 PolarHBondContact O-N 2.91Å; V445-A449 WeakPolarHBondContact O-CB 3.49Å; V445-A449 PolarHBondContact O-N 3.1Å
446	N	63.1	Low	69.6	Low	68 Å²	68	75.6 Å²	75.6	36%	0.364	42%	0.423	S	S	.	.	H	α-helix	trans	-68.4	-39.5	179.5	-78.4	-81.3	0	0	0	113.2	R440 N442 L444 Q450	R440-N446 PolarHBondContact O-ND2 3.19Å; N442-N446 PolarHBondContact O-N 2.86Å; N442-N446 PolarHBondContact O-ND2 3.02Å; L444-N446 VanDerWaalsContact C-N 3.33Å; L444-N446 PolarHBondContact O-N 2.9Å; N446-Q450 WeakPolarHBondContact O-CB 3.31Å; N446-Q450 VanDerWaalsContact O-CG 3.23Å; N446-Q450 WeakPolarHBondContact O-CG 3.12Å; N446-Q450 PolarHBondContact O-N 2.81Å
447	S	67.9	Low	69.1	Low	64 Å²	64	76.5 Å²	76.5	45%	0.448	44%	0.436	S	S	.	.	H	α-helix	trans	-72.6	-38.4	176	52	0	0	0	0	112.4	P443 L444 Q450 A451	P443-S447 WeakPolarHBondContact O-CB 3.3Å; P443-S447 PolarHBondContact O-N 2.66Å; P443-S447 PolarHBondContact O-OG 2.68Å; L444-S447 PolarHBondContact O-N 3.44Å; L444-S447 PolarHBondContact O-OG 3.05Å; L444-S447 VanDerWaalsContact O-OG 3.1Å; S447-Q450 PolarHBondContact O-N 3.05Å; S447-A451 WeakPolarHBondContact O-CB 3.4Å; S447-A451 PolarHBondContact O-N 2.84Å
448	Q	64.3	Low	68.7	Low	69 Å²	69	77 Å²	77	32%	0.322	44%	0.438	S	S	.	.	H	α-helix	trans	-66.2	-42.2	172.5	-73.6	177.5	-31.8	0	0	112.1	L444 Q450 A451 A452	L444-Q448 HydrophobicContact CD1-CG 4.22Å; L444-Q448 HydrophobicContact CG-CG 4.49Å; L444-Q448 VanDerWaalsContact O-CB 3.29Å; L444-Q448 WeakPolarHBondContact O-CB 3.23Å; L444-Q448 VanDerWaalsContact O-CG 3.3Å; L444-Q448 WeakPolarHBondContact O-CG 3Å; L444-Q448 PolarHBondContact O-N 2.91Å; Q448-Q450 VanDerWaalsContact C-N 3.34Å; Q448-Q450 PolarHBondContact O-N 2.94Å; Q448-A451 PolarHBondContact O-N 3.25Å; Q448-A452 VanDerWaalsContact O-CB 3.25Å; Q448-A452 WeakPolarHBondContact O-CB 3.45Å; Q448-A452 PolarHBondContact O-N 3.34Å
449	A	63.3	Low	68.3	Low	48 Å²	48	77.3 Å²	77.3	40%	0.397	44%	0.437	S	S	.	.	H	α-helix	trans	-65.7	-36.1	177	0	0	0	0	0	112.1	V445 S453	V445-A449 WeakPolarHBondContact O-CB 3.49Å; V445-A449 PolarHBondContact O-N 3.1Å; A449-S453 WeakPolarHBondContact O-CB 3.5Å; A449-S453 PolarHBondContact O-N 3.17Å; A449-S453 PolarHBondContact O-OG 2.85Å
450	Q	69	Low	67.8	Low	138 Å²	138	80.2 Å²	80.2	65%	0.645	45%	0.452	S	S	*	.	H	α-helix	trans	-67.2	-45.5	172.1	-74.9	172.1	14.4	0	0	111.7	N446 S447 Q448 S453 A454	N446-Q450 WeakPolarHBondContact O-CB 3.31Å; N446-Q450 VanDerWaalsContact O-CG 3.23Å; N446-Q450 WeakPolarHBondContact O-CG 3.12Å; N446-Q450 PolarHBondContact O-N 2.81Å; S447-Q450 PolarHBondContact O-N 3.05Å; Q448-Q450 VanDerWaalsContact C-N 3.34Å; Q448-Q450 PolarHBondContact O-N 2.94Å; Q450-S453 PolarHBondContact O-N 3.02Å; Q450-A454 WeakPolarHBondContact O-CB 3.48Å; Q450-A454 PolarHBondContact O-N 3.43Å
451	A	71.8	Confident	67.5	Low	60 Å²	60	75.6 Å²	75.6	50%	0.496	44%	0.441	S	S	.	.	H	α-helix	trans	-62.8	-49.4	177.4	0	0	0	0	0	111.9	S447 Q448 S453 A454 E455	S447-A451 WeakPolarHBondContact O-CB 3.4Å; S447-A451 PolarHBondContact O-N 2.84Å; Q448-A451 PolarHBondContact O-N 3.25Å; A451-S453 VanDerWaalsContact C-N 3.34Å; A451-S453 PolarHBondContact O-N 2.72Å; A451-A454 PolarHBondContact O-N 3.21Å; A451-A454 VanDerWaalsContact O-N 3.17Å; A451-E455 WeakPolarHBondContact O-CB 3.18Å; A451-E455 PolarHBondContact O-N 3.17Å
452	A	65.6	Low	67	Low	35 Å²	35	75.1 Å²	75.1	29%	0.289	43%	0.434	S	S	.	.	H	α-helix	trans	-64.8	-35.7	177.4	0	0	0	0	0	112.3	L15 Q448 H456	L15-A452 HydrophobicContact CD2-CB 4.45Å; Q448-A452 VanDerWaalsContact O-CB 3.25Å; Q448-A452 WeakPolarHBondContact O-CB 3.45Å; Q448-A452 PolarHBondContact O-N 3.34Å; A452-H456 WeakPolarHBondContact O-CB 3.12Å; A452-H456 PolarHBondContact O-N 3.13Å
453	S	68.7	Low	66.4	Low	80 Å²	80	81.3 Å²	81.3	56%	0.559	47%	0.466	S	S	*	.	H	α-helix	trans	-67.2	-37	173.1	-61.9	0	0	0	0	112.2	A449 Q450 A451 A457	A449-S453 WeakPolarHBondContact O-CB 3.5Å; A449-S453 PolarHBondContact O-N 3.17Å; A449-S453 PolarHBondContact O-OG 2.85Å; Q450-S453 PolarHBondContact O-N 3.02Å; A451-S453 VanDerWaalsContact C-N 3.34Å; A451-S453 PolarHBondContact O-N 2.72Å; S453-A457 WeakPolarHBondContact O-CB 3.47Å; S453-A457 PolarHBondContact O-N 2.84Å
454	A	73.9	Confident	66	Low	60 Å²	60	83.8 Å²	83.8	50%	0.496	47%	0.471	S	S	.	.	H	α-helix	trans	-70.9	-44.2	176.5	0	0	0	0	0	111.8	Q450 A451 A457 E458	Q450-A454 WeakPolarHBondContact O-CB 3.48Å; Q450-A454 PolarHBondContact O-N 3.43Å; A451-A454 PolarHBondContact O-N 3.21Å; A451-A454 VanDerWaalsContact O-N 3.17Å; A454-A457 PolarHBondContact O-N 2.84Å; A454-E458 WeakPolarHBondContact O-CB 3.46Å; A454-E458 PolarHBondContact O-N 3.24Å
455	E	72.2	Confident	65.8	Low	112 Å²	112	87.9 Å²	87.9	52%	0.523	49%	0.49	S	S	.	.	H	α-helix	trans	-65.2	-41.5	175.4	-176.5	179.4	-179.5	0	0	111.6	A451 E458 N459	A451-E455 WeakPolarHBondContact O-CB 3.18Å; A451-E455 PolarHBondContact O-N 3.17Å; E455-E458 PolarHBondContact O-N 2.69Å; E455-N459 VanDerWaalsContact O-CB 3.29Å; E455-N459 WeakPolarHBondContact O-CB 3.4Å; E455-N459 VanDerWaalsContact O-CG 3.22Å; E455-N459 PolarHBondContact O-N 3.26Å; E455-N459 PolarHBondContact O-ND2 3.41Å
456	H	66.5	Low	64.8	Low	110 Å²	110	87.2 Å²	87.2	51%	0.509	50%	0.496	S	S	.	.	H	α-helix	trans	-65.8	-37.9	174.2	-175	-115.9	0	0	0	111.8	A452 N459 I460	A452-H456 WeakPolarHBondContact O-CB 3.12Å; A452-H456 PolarHBondContact O-N 3.13Å; H456-N459 PolarHBondContact O-N 2.81Å; H456-I460 VanDerWaalsContact CE1-CD1 3.48Å; H456-I460 WeakPolarHBondContact CE1-CD1 3.46Å; H456-I460 WeakPolarHBondContact O-CB 3.24Å; H456-I460 WeakPolarHBondContact O-CG1 3.39Å; H456-I460 PolarHBondContact O-N 2.9Å
457	A	71.5	Confident	63.8	Low	56 Å²	56	90.6 Å²	90.6	46%	0.463	51%	0.509	S	S	.	.	H	α-helix	trans	-65.2	-42.6	171.9	0	0	0	0	0	112	S453 A454 I460 D461	S453-A457 WeakPolarHBondContact O-CB 3.47Å; S453-A457 PolarHBondContact O-N 2.84Å; A454-A457 PolarHBondContact O-N 2.84Å; A457-I460 PolarHBondContact O-N 3.1Å; A457-D461 WeakPolarHBondContact O-CB 3.29Å; A457-D461 PolarHBondContact O-N 2.97Å
458	E	71.4	Confident	62.6	Low	108 Å²	108	94.2 Å²	94.2	51%	0.505	53%	0.529	S	S	.	.	H	α-helix	trans	-66.7	-36.5	176.3	-167	-172.6	141.4	0	0	111.9	A454 E455 D461 K462	A454-E458 WeakPolarHBondContact O-CB 3.46Å; A454-E458 PolarHBondContact O-N 3.24Å; E455-E458 PolarHBondContact O-N 2.69Å; E458-D461 PolarHBondContact O-N 2.84Å; E458-K462 WeakPolarHBondContact O-CB 3.14Å; E458-K462 VanDerWaalsContact O-CG 3.29Å; E458-K462 WeakPolarHBondContact O-CG 3.23Å; E458-K462 PolarHBondContact O-N 2.82Å; E458-K462 WeakPolarHBondContact OE1-CE 3.29Å; E458-K462 IonicContact OE1-NZ 2.61Å; E458-K462 PolarHBondContact OE1-NZ 3.2Å
459	N	68.8	Low	61.4	Low	74 Å²	74	95.8 Å²	95.8	40%	0.396	54%	0.543	S	S	.	.	H	α-helix	trans	-74	-34.8	176.9	-72	-22.9	0	0	0	112	E455 H456 L463	E455-N459 VanDerWaalsContact O-CB 3.29Å; E455-N459 WeakPolarHBondContact O-CB 3.4Å; E455-N459 VanDerWaalsContact O-CG 3.22Å; E455-N459 PolarHBondContact O-N 3.26Å; E455-N459 PolarHBondContact O-ND2 3.41Å; H456-N459 PolarHBondContact O-N 2.81Å; N459-L463 VanDerWaalsContact O-CB 3.25Å; N459-L463 WeakPolarHBondContact O-CB 3.41Å; N459-L463 PolarHBondContact O-N 2.96Å
460	I	65.2	Low	60.4	Low	80 Å²	80	102.4 Å²	102.4	41%	0.41	57%	0.566	S	S	.	*	H	α-helix	trans	-63.2	-44.8	166.1	-74.4	171.7	0	0	0	110.2	H456 A457 K462 L463 M464	H456-I460 VanDerWaalsContact CE1-CD1 3.48Å; H456-I460 WeakPolarHBondContact CE1-CD1 3.46Å; H456-I460 WeakPolarHBondContact O-CB 3.24Å; H456-I460 WeakPolarHBondContact O-CG1 3.39Å; H456-I460 PolarHBondContact O-N 2.9Å; A457-I460 PolarHBondContact O-N 3.1Å; I460-K462 PolarHBondContact O-N 3.06Å; I460-L463 WeakPolarHBondContact O-CB 3.35Å; I460-L463 PolarHBondContact O-N 3.26Å; I460-M464 HydrophobicContact CG2-CG 4.07Å; I460-M464 WeakPolarHBondContact O-CB 3.48Å; I460-M464 WeakPolarHBondContact O-CG 3.48Å; I460-M464 PolarHBondContact O-N 2.88Å
461	D	65.7	Low	59	Low	82 Å²	82	100.3 Å²	100.3	44%	0.439	56%	0.563	S	S	.	*	H	α-helix	trans	-64.6	-41.5	-179.4	-156.2	51.5	0	0	0	111.3	A457 E458 L463 M464 M465	A457-D461 WeakPolarHBondContact O-CB 3.29Å; A457-D461 PolarHBondContact O-N 2.97Å; E458-D461 PolarHBondContact O-N 2.84Å; D461-L463 PolarHBondContact O-N 2.83Å; D461-M464 CarbonylContact O-C 3.58Å; D461-M464 PolarHBondContact O-N 3.29Å; D461-M465 WeakPolarHBondContact O-CB 3.41Å; D461-M465 VanDerWaalsContact O-CG 3.3Å; D461-M465 WeakPolarHBondContact O-CG 3.49Å; D461-M465 PolarHBondContact O-N 2.85Å; D461-M465 WeakPolarHBondContact OD1-CE 3.19Å
462	K	62.8	Low	57.9	Low	90 Å²	90	100.6 Å²	100.6	39%	0.391	56%	0.558	S	S	.	*	H	α-helix	trans	-60.7	-42.4	170.6	-74.6	167.1	-173.7	158.2	0	113	E458 I460 M464 G466	E458-K462 WeakPolarHBondContact O-CB 3.14Å; E458-K462 VanDerWaalsContact O-CG 3.29Å; E458-K462 WeakPolarHBondContact O-CG 3.23Å; E458-K462 PolarHBondContact O-N 2.82Å; E458-K462 WeakPolarHBondContact OE1-CE 3.29Å; E458-K462 IonicContact OE1-NZ 2.61Å; E458-K462 PolarHBondContact OE1-NZ 3.2Å; I460-K462 PolarHBondContact O-N 3.06Å; K462-M464 VanDerWaalsContact C-N 3.29Å; K462-M464 PolarHBondContact O-N 2.88Å; K462-G466 PolarHBondContact O-N 3.29Å; K462-G466 VanDerWaalsContact O-N 3.1Å
463	L	54.6	Low	57.4	Low	144 Å²	144	102.8 Å²	102.8	75%	0.754	57%	0.572	S	S	*	*	H	α-helix	trans	-64.7	-35	177.2	-176.5	64.3	0	0	0	111.6	N459 I460 D461	N459-L463 VanDerWaalsContact O-CB 3.25Å; N459-L463 WeakPolarHBondContact O-CB 3.41Å; N459-L463 PolarHBondContact O-N 2.96Å; I460-L463 WeakPolarHBondContact O-CB 3.35Å; I460-L463 PolarHBondContact O-N 3.26Å; D461-L463 PolarHBondContact O-N 2.83Å
464	M	57.5	Low	57.5	Low	154 Å²	154	103 Å²	103	76%	0.759	57%	0.566	S	S	*	*	H	α-helix	trans	-90.1	-24.7	-177.5	-63.5	-73.4	-77.5	0	0	113.7	I460 D461 K462	I460-M464 HydrophobicContact CG2-CG 4.07Å; I460-M464 WeakPolarHBondContact O-CB 3.48Å; I460-M464 WeakPolarHBondContact O-CG 3.48Å; I460-M464 PolarHBondContact O-N 2.88Å; D461-M464 CarbonylContact O-C 3.58Å; D461-M464 PolarHBondContact O-N 3.29Å; K462-M464 VanDerWaalsContact C-N 3.29Å; K462-M464 PolarHBondContact O-N 2.88Å
465	M	59	Low	57.7	Low	150 Å²	150	102.9 Å²	102.9	74%	0.739	56%	0.557	S	S	*	*	H	α-helix	trans	-94	-8.2	177	-67.1	-146.6	-176.3	0	0	114.1	D461	D461-M465 WeakPolarHBondContact O-CB 3.41Å; D461-M465 VanDerWaalsContact O-CG 3.3Å; D461-M465 WeakPolarHBondContact O-CG 3.49Å; D461-M465 PolarHBondContact O-N 2.85Å; D461-M465 WeakPolarHBondContact OD1-CE 3.19Å
466	G	39.2	Very low	58.3	Low	49 Å²	49	102.7 Å²	102.7	51%	0.505	56%	0.56	S	S	.	*			trans	98.5	91.2	160.2	0	0	0	0	0	115.9	K462	K462-G466 PolarHBondContact O-N 3.29Å; K462-G466 VanDerWaalsContact O-N 3.1Å
467	Q	41.2	Very low	59.4	Low	140 Å²	140	103 Å²	103	65%	0.654	56%	0.562	S	S	*	*			trans	-100	82	147.7	-71.2	-164.1	3.9	0	0	110	T469	Q467-T469 HydrophobicContact CB-CG2 4.25Å; Q467-T469 PolarHBondContact O-N 3.23Å; Q467-T469 PolarHBondContact O-OG1 2.9Å
468	T	41.6	Very low	60.3	Low	140 Å²	140	102.2 Å²	102.2	86%	0.859	55%	0.549	S	S	*	.			trans	-73.7	68.5	163.1	49.5	0	0	0	0	109.8	E470	T468-E470 PolarHBondContact O-N 3.43Å
469	T	40.5	Very low	61.3	Low	102 Å²	102	103 Å²	103	63%	0.626	55%	0.548	S	S	*	.			trans	-88.3	70.6	178.8	37.4	0	0	0	0	110.9	Q467 V471	Q467-T469 HydrophobicContact CB-CG2 4.25Å; Q467-T469 PolarHBondContact O-N 3.23Å; Q467-T469 PolarHBondContact O-OG1 2.9Å; T469-V471 VanDerWaalsContact C-N 3.26Å; T469-V471 PolarHBondContact O-N 2.58Å
470	E	42.4	Very low	62.5	Low	187 Å²	187	105.6 Å²	105.6	87%	0.874	56%	0.556	S	S	*	*			trans	42	44.6	171.7	-62.6	-169.4	167.2	0	0	115.6	T468 T472	T468-E470 PolarHBondContact O-N 3.43Å; E470-T472 PolarHBondContact O-N 3.46Å; E470-T472 VanDerWaalsContact O-N 3.13Å
471	V	40	Very low	63.8	Low	94 Å²	94	104.6 Å²	104.6	57%	0.57	55%	0.553	S	S	*	*			trans	-55	120	153.7	176.5	0	0	0	0	105.8	T469 S473 D475	T469-V471 VanDerWaalsContact C-N 3.26Å; T469-V471 PolarHBondContact O-N 2.58Å; V471-S473 PolarHBondContact O-N 3.34Å; V471-D475 HydrophobicContact CG1-CB 3.98Å
472	T	46.7	Very low	65.2	Low	65 Å²	65	100.7 Å²	100.7	40%	0.399	53%	0.532	S	S	.	.			trans	-66.4	143.4	-168.8	81	0	0	0	0	108.8	E470 N474 D475	E470-T472 PolarHBondContact O-N 3.46Å; E470-T472 VanDerWaalsContact O-N 3.13Å; T472-N474 PolarHBondContact O-N 3.1Å; T472-N474 PolarHBondContact OG1-ND2 2.93Å; T472-D475 WeakPolarHBondContact CB-OD2 3.43Å; T472-D475 PolarHBondContact N-OD2 3.17Å; T472-D475 PolarHBondContact O-N 2.87Å; T472-D475 PolarHBondContact OG1-OD2 3.22Å
473	S	55.6	Low	66.8	Low	82 Å²	82	98.5 Å²	98.5	57%	0.573	53%	0.528	S	S	*	.	H	α-helix	trans	-52.9	-28.6	-178.1	55.4	0	0	0	0	112.8	V471 D475 E477	V471-S473 PolarHBondContact O-N 3.34Å; S473-D475 VanDerWaalsContact C-N 3.31Å; S473-D475 PolarHBondContact O-N 2.8Å; S473-E477 WeakPolarHBondContact O-CB 3.5Å; S473-E477 VanDerWaalsContact O-CG 3.29Å; S473-E477 WeakPolarHBondContact O-CG 3.36Å; S473-E477 PolarHBondContact O-N 2.8Å
474	N	71.2	Confident	68.7	Low	83 Å²	83	95.2 Å²	95.2	44%	0.444	51%	0.509	S	S	.	.	H	α-helix	trans	-61.9	-33	175.8	-44.9	-59.7	0	0	0	113.3	T472 L478	T472-N474 PolarHBondContact O-N 3.1Å; T472-N474 PolarHBondContact OG1-ND2 2.93Å; N474-L478 VanDerWaalsContact O-CB 3.32Å; N474-L478 WeakPolarHBondContact O-CB 3.48Å; N474-L478 WeakPolarHBondContact O-CD1 3.33Å; N474-L478 WeakPolarHBondContact O-CG 3.19Å; N474-L478 PolarHBondContact O-N 2.94Å
475	D	78.9	Confident	70.4	Confident	59 Å²	59	88 Å²	88	32%	0.316	47%	0.474	S	S	.	.	H	α-helix	trans	-76.9	-43.7	-172.9	-61	-55.2	0	0	0	111	V471 T472 S473 E477 L478 W479	V471-D475 HydrophobicContact CG1-CB 3.98Å; T472-D475 WeakPolarHBondContact CB-OD2 3.43Å; T472-D475 PolarHBondContact N-OD2 3.17Å; T472-D475 PolarHBondContact O-N 2.87Å; T472-D475 PolarHBondContact OG1-OD2 3.22Å; S473-D475 VanDerWaalsContact C-N 3.31Å; S473-D475 PolarHBondContact O-N 2.8Å; D475-E477 VanDerWaalsContact C-N 3.32Å; D475-E477 PolarHBondContact O-N 2.73Å; D475-L478 WeakPolarHBondContact O-CB 3.43Å; D475-L478 PolarHBondContact O-N 2.63Å; D475-W479 PolarHBondContact O-N 2.82Å
476	D	84.3	Confident	72.1	Confident	107 Å²	107	80.9 Å²	80.9	57%	0.572	44%	0.439	S	S	*	.	H	α-helix	trans	-62.3	-39.5	169.8	-76.4	-17.1	0	0	0	111.5	L478 W479 K480	D476-L478 VanDerWaalsContact C-N 3.34Å; D476-L478 PolarHBondContact O-N 2.88Å; D476-W479 PolarHBondContact O-N 2.9Å; D476-K480 VanDerWaalsContact O-CB 3.31Å; D476-K480 WeakPolarHBondContact O-CB 3.36Å; D476-K480 PolarHBondContact O-N 2.89Å
477	E	88.8	Confident	74.7	Confident	118 Å²	118	84 Å²	84	55%	0.551	44%	0.44	S	S	*	.	H	α-helix	trans	-63.9	-36.6	173.2	-76.4	178.8	-179.4	0	0	112.5	S473 D475 T481	S473-E477 WeakPolarHBondContact O-CB 3.5Å; S473-E477 VanDerWaalsContact O-CG 3.29Å; S473-E477 WeakPolarHBondContact O-CG 3.36Å; S473-E477 PolarHBondContact O-N 2.8Å; D475-E477 VanDerWaalsContact C-N 3.32Å; D475-E477 PolarHBondContact O-N 2.73Å; E477-T481 WeakPolarHBondContact O-CB 3.33Å; E477-T481 PolarHBondContact O-N 2.87Å; E477-T481 PolarHBondContact O-OG1 3.24Å
478	L	90.9	Very high	77.1	Confident	38 Å²	38	82.9 Å²	82.9	20%	0.199	43%	0.433	C	S	.	.	H	α-helix	trans	-67.4	-43.9	174.3	-78.4	164.6	0	0	0	111.8	N474 D475 D476 T481 A482 P549 L559	N474-L478 VanDerWaalsContact O-CB 3.32Å; N474-L478 WeakPolarHBondContact O-CB 3.48Å; N474-L478 WeakPolarHBondContact O-CD1 3.33Å; N474-L478 WeakPolarHBondContact O-CG 3.19Å; N474-L478 PolarHBondContact O-N 2.94Å; D475-L478 WeakPolarHBondContact O-CB 3.43Å; D475-L478 PolarHBondContact O-N 2.63Å; D476-L478 VanDerWaalsContact C-N 3.34Å; D476-L478 PolarHBondContact O-N 2.88Å; L478-T481 PolarHBondContact O-N 3.16Å; L478-A482 VanDerWaalsContact O-CB 3.28Å; L478-A482 WeakPolarHBondContact O-CB 3.4Å; L478-A482 PolarHBondContact O-N 2.85Å; L478-P549 HydrophobicContact CB-CB 4.24Å; L478-P549 HydrophobicContact CB-CG 4.39Å; L478-L559 HydrophobicContact CD2-CD1 3.55Å; L478-L559 HydrophobicContact CD2-CD2 4.09Å; L478-L559 HydrophobicContact CD2-CG 4.41Å
479	W	93.2	Very high	79.6	Confident	125 Å²	125	76.7 Å²	76.7	47%	0.473	39%	0.394	S	S	.	.	H	α-helix	trans	-63.2	-43.2	175.1	-83	106.8	0	0	0	112.5	D475 D476 A482 S483 Q548 P549	D475-W479 PolarHBondContact O-N 2.82Å; D476-W479 PolarHBondContact O-N 2.9Å; W479-A482 PolarHBondContact O-N 3.28Å; W479-S483 WeakPolarHBondContact O-CB 3.17Å; W479-S483 PolarHBondContact O-N 2.92Å; W479-S483 PolarHBondContact O-OG 3.45Å; W479-Q548 HydrophobicContact CH2-CB 4Å; W479-Q548 HydrophobicContact CH2-CG 4.02Å; W479-Q548 HydrophobicContact CZ3-CB 3.93Å; W479-Q548 HydrophobicContact CZ3-CG 3.86Å; W479-P549 HydrophobicContact CD2-CG 3.84Å; W479-P549 VanDerWaalsContact CE3-CD 3.41Å; W479-P549 HydrophobicContact CE3-CG 4.23Å; W479-P549 HydrophobicContact CG-CG 4.12Å; W479-P549 HydrophobicContact CZ2-CG 4.31Å
480	K	93.8	Very high	82.2	Confident	129 Å²	129	71.9 Å²	71.9	56%	0.561	37%	0.365	S	S	*	.	H	α-helix	trans	-62.9	-46.5	173.9	-178.6	-179	171.2	-173.4	0	111.7	D476 A482 S483 E484	D476-K480 VanDerWaalsContact O-CB 3.31Å; D476-K480 WeakPolarHBondContact O-CB 3.36Å; D476-K480 PolarHBondContact O-N 2.89Å; K480-A482 PolarHBondContact O-N 3.4Å; K480-S483 PolarHBondContact O-N 3.23Å; K480-E484 WeakPolarHBondContact CE-OE1 3.3Å; K480-E484 PolarHBondContact O-N 3.01Å
481	T	92.7	Very high	84.4	Confident	58 Å²	58	66.1 Å²	66.1	36%	0.356	35%	0.35	S	S	.	.	H	α-helix	trans	-62	-42.7	178.3	-60.7	0	0	0	0	111.3	E477 L478 A485 L559 W592	E477-T481 WeakPolarHBondContact O-CB 3.33Å; E477-T481 PolarHBondContact O-N 2.87Å; E477-T481 PolarHBondContact O-OG1 3.24Å; L478-T481 PolarHBondContact O-N 3.16Å; T481-A485 WeakPolarHBondContact O-CB 3.35Å; T481-A485 PolarHBondContact O-N 2.93Å; T481-L559 HydrophobicContact CG2-CD2 3.83Å; T481-W592 HydrophobicContact CG2-CZ2 4.09Å
482	A	95	Very high	86.8	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.3	-44.6	175	0	0	0	0	0	112.3	L478 W479 K480 A485 G486 C547 P549 V561	L478-A482 VanDerWaalsContact O-CB 3.28Å; L478-A482 WeakPolarHBondContact O-CB 3.4Å; L478-A482 PolarHBondContact O-N 2.85Å; W479-A482 PolarHBondContact O-N 3.28Å; K480-A482 PolarHBondContact O-N 3.4Å; A482-A485 PolarHBondContact O-N 2.73Å; A482-G486 PolarHBondContact O-N 2.88Å; A482-C547 VanDerWaalsContact O-CB 3.3Å; A482-C547 WeakPolarHBondContact O-CB 3.45Å; A482-P549 HydrophobicContact CB-CB 4.22Å; A482-P549 HydrophobicContact CB-CG 4.43Å; A482-V561 HydrophobicContact CB-CG1 3.78Å; A482-V561 HydrophobicContact CB-CG2 4Å
483	S	95.6	Very high	89.1	Confident	45 Å²	45	63.4 Å²	63.4	32%	0.315	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-54.4	177.4	-56.1	0	0	0	0	111.6	W479 K480 A485 G486 E487	W479-S483 WeakPolarHBondContact O-CB 3.17Å; W479-S483 PolarHBondContact O-N 2.92Å; W479-S483 PolarHBondContact O-OG 3.45Å; K480-S483 PolarHBondContact O-N 3.23Å; S483-A485 VanDerWaalsContact C-N 3.27Å; S483-A485 PolarHBondContact O-N 3.2Å; S483-G486 PolarHBondContact O-N 3.3Å; S483-E487 WeakPolarHBondContact O-CG 3.4Å; S483-E487 PolarHBondContact O-N 2.78Å
484	E	94.3	Very high	91	Very high	75 Å²	75	60 Å²	60	35%	0.35	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-35.2	177.5	-75.6	-166.4	-137.1	0	0	112.7	K480 K488	K480-E484 WeakPolarHBondContact CE-OE1 3.3Å; K480-E484 PolarHBondContact O-N 3.01Å; E484-K488 WeakPolarHBondContact O-CB 3.48Å; E484-K488 VanDerWaalsContact O-CD 3.23Å; E484-K488 WeakPolarHBondContact O-CD 3.49Å; E484-K488 WeakPolarHBondContact O-CG 3.39Å; E484-K488 PolarHBondContact O-N 3.23Å; E484-K488 IonicContact OE2-NZ 3.87Å; E484-K488 PolarHBondContact OE2-NZ 2.74Å
485	A	93.9	Very high	92	Very high	2 Å²	2	64.9 Å²	64.9	2%	0.017	32%	0.316	C	S	.	.	H	α-helix	trans	-65.8	-53.2	176.7	0	0	0	0	0	111.5	T481 A482 S483 K488 F489 V561 W592	T481-A485 WeakPolarHBondContact O-CB 3.35Å; T481-A485 PolarHBondContact O-N 2.93Å; A482-A485 PolarHBondContact O-N 2.73Å; S483-A485 VanDerWaalsContact C-N 3.27Å; S483-A485 PolarHBondContact O-N 3.2Å; A485-K488 PolarHBondContact O-N 3.17Å; A485-F489 WeakPolarHBondContact O-CB 3.07Å; A485-F489 PolarHBondContact O-N 3.39Å; A485-V561 HydrophobicContact CB-CG2 4.48Å; A485-W592 HydrophobicContact CB-CD2 3.77Å; A485-W592 HydrophobicContact CB-CE3 4.39Å; A485-W592 HydrophobicContact CB-CG 4.13Å; A485-W592 HydrophobicContact CB-CH2 4.28Å; A485-W592 HydrophobicContact CB-CZ2 3.65Å
486	G	95	Very high	92.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-68.3	-34.9	-176.7	0	0	0	0	0	113.6	A482 S483 S490	A482-G486 PolarHBondContact O-N 2.88Å; S483-G486 PolarHBondContact O-N 3.3Å; G486-S490 VanDerWaalsContact O-CB 3.23Å; G486-S490 WeakPolarHBondContact O-CB 3.19Å; G486-S490 PolarHBondContact O-N 2.86Å; G486-S490 PolarHBondContact O-OG 2.85Å
487	E	93.6	Very high	93.1	Very high	116 Å²	116	57.2 Å²	57.2	54%	0.542	28%	0.275	S	S	.	.	H	α-helix	trans	-62.3	-54.8	172.4	-76.2	-178.7	-177.5	0	0	111.7	S483 F489 S490 A491 L545	S483-E487 WeakPolarHBondContact O-CG 3.4Å; S483-E487 PolarHBondContact O-N 2.78Å; E487-F489 PolarHBondContact O-N 2.78Å; E487-S490 PolarHBondContact O-N 2.97Å; E487-A491 WeakPolarHBondContact O-CB 3.37Å; E487-A491 PolarHBondContact O-N 2.75Å; E487-L545 HydrophobicContact CB-CD2 4.35Å; E487-L545 HydrophobicContact CG-CD2 3.82Å
488	K	90.6	Very high	93.3	Very high	116 Å²	116	53.9 Å²	53.9	50%	0.504	26%	0.261	S	S	.	.	H	α-helix	trans	-65.7	-39.3	-177.8	-65.8	168.1	-162.3	170.3	0	111.4	E484 A485 L492	E484-K488 WeakPolarHBondContact O-CB 3.48Å; E484-K488 VanDerWaalsContact O-CD 3.23Å; E484-K488 WeakPolarHBondContact O-CD 3.49Å; E484-K488 WeakPolarHBondContact O-CG 3.39Å; E484-K488 PolarHBondContact O-N 3.23Å; E484-K488 IonicContact OE2-NZ 3.87Å; E484-K488 PolarHBondContact OE2-NZ 2.74Å; A485-K488 PolarHBondContact O-N 3.17Å; K488-L492 WeakPolarHBondContact O-CD1 3.43Å; K488-L492 VanDerWaalsContact O-CG 3.3Å; K488-L492 WeakPolarHBondContact O-CG 3.45Å; K488-L492 PolarHBondContact O-N 2.83Å
489	F	95.4	Very high	93.2	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.039	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-55.7	173.7	172.5	-91.6	0	0	0	110.9	A485 E487 A491 L492 Y493 F508 F583 L585 V594	A485-F489 WeakPolarHBondContact O-CB 3.07Å; A485-F489 PolarHBondContact O-N 3.39Å; E487-F489 PolarHBondContact O-N 2.78Å; F489-A491 PolarHBondContact O-N 2.85Å; F489-L492 PolarHBondContact O-N 2.04Å; F489-L492 VanDerWaalsContact O-N 3.12Å; F489-Y493 HydrophobicContact CE1-CD1 4.46Å; F489-Y493 HydrophobicContact CE1-CD2 4.4Å; F489-Y493 AromaticContact CE1-CG 3.99Å; F489-Y493 HydrophobicContact CE1-CG 3.99Å; F489-Y493 AromaticContact CZ-CD2 3.84Å; F489-Y493 HydrophobicContact CZ-CD2 3.84Å; F489-Y493 AromaticContact CZ-CG 3.88Å; F489-Y493 HydrophobicContact CZ-CG 3.88Å; F489-Y493 WeakPolarHBondContact O-CB 3.4Å; F489-Y493 PolarHBondContact O-N 2.84Å; F489-F508 HydrophobicContact CD2-CD1 4.19Å; F489-F508 HydrophobicContact CE2-CB 4.27Å; F489-F508 AromaticContact CE2-CD1 3.73Å; F489-F508 HydrophobicContact CE2-CD1 3.73Å; F489-F508 HydrophobicContact CE2-CG 4.5Å; F489-F508 HydrophobicContact CZ-CD1 4.38Å; F489-F583 AromaticContact CE1-CD1 3.88Å; F489-F583 HydrophobicContact CE1-CD1 3.88Å; F489-F583 HydrophobicContact CE1-CD2 4.22Å; F489-F583 AromaticContact CE1-CE1 3.92Å; F489-F583 HydrophobicContact CE1-CE1 3.92Å; F489-F583 HydrophobicContact CE1-CE2 4.27Å; F489-F583 HydrophobicContact CE1-CG 4.03Å; F489-F583 HydrophobicContact CE1-CZ 4.1Å; F489-F583 HydrophobicContact CZ-CD1 4.06Å; F489-F583 HydrophobicContact CZ-CE1 4.13Å; F489-L585 HydrophobicContact CB-CD1 3.67Å; F489-L585 HydrophobicContact CD1-CD1 3.87Å; F489-L585 HydrophobicContact CD1-CD2 3.91Å; F489-L585 HydrophobicContact CD1-CG 4.49Å; F489-L585 HydrophobicContact CD2-CD1 4.06Å; F489-L585 HydrophobicContact CD2-CD2 3.76Å; F489-L585 HydrophobicContact CE1-CD2 3.87Å; F489-L585 HydrophobicContact CE2-CD2 3.69Å; F489-L585 HydrophobicContact CG-CD1 3.56Å; F489-L585 HydrophobicContact CG-CD2 3.88Å; F489-L585 HydrophobicContact CG-CG 4.39Å; F489-L585 HydrophobicContact CZ-CD2 3.78Å; F489-V594 HydrophobicContact CE1-CG2 4.27Å; F489-V594 HydrophobicContact CE2-CG2 3.63Å; F489-V594 HydrophobicContact CZ-CG2 3.29Å
490	S	94.1	Very high	93	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-43.6	-172.9	-56.5	0	0	0	0	111.7	G486 E487 L492 Y493 Y494 L545	G486-S490 VanDerWaalsContact O-CB 3.23Å; G486-S490 WeakPolarHBondContact O-CB 3.19Å; G486-S490 PolarHBondContact O-N 2.86Å; G486-S490 PolarHBondContact O-OG 2.85Å; E487-S490 PolarHBondContact O-N 2.97Å; S490-L492 PolarHBondContact O-N 2.83Å; S490-Y493 PolarHBondContact O-N 2.83Å; S490-Y494 VanDerWaalsContact O-CD2 3.31Å; S490-Y494 WeakPolarHBondContact O-CD2 3.06Å; S490-Y494 PolarHBondContact O-N 2.83Å; S490-Y494 VanDerWaalsContact O-N 3.1Å; S490-L545 WeakPolarHBondContact OG-CD1 3.38Å
491	A	89	Confident	92.6	Very high	67 Å²	67	54.4 Å²	54.4	55%	0.554	28%	0.28	S	S	*	.	H	α-helix	trans	-61.6	-27.8	178.1	0	0	0	0	0	113.4	E487 F489 R495	E487-A491 WeakPolarHBondContact O-CB 3.37Å; E487-A491 PolarHBondContact O-N 2.75Å; F489-A491 PolarHBondContact O-N 2.85Å; A491-R495 VanDerWaalsContact O-CB 3.28Å; A491-R495 WeakPolarHBondContact O-CB 3.43Å
492	L	90.2	Very high	92.5	Very high	101 Å²	101	52.2 Å²	52.2	53%	0.529	27%	0.265	S	S	.	.	H	α-helix	trans	-87.2	-40.3	174.4	-67.9	174.2	0	0	0	112.2	K488 F489 S490 R495 A496 F508	K488-L492 WeakPolarHBondContact O-CD1 3.43Å; K488-L492 VanDerWaalsContact O-CG 3.3Å; K488-L492 WeakPolarHBondContact O-CG 3.45Å; K488-L492 PolarHBondContact O-N 2.83Å; F489-L492 PolarHBondContact O-N 2.04Å; F489-L492 VanDerWaalsContact O-N 3.12Å; S490-L492 PolarHBondContact O-N 2.83Å; L492-R495 PolarHBondContact O-N 3.09Å; L492-A496 WeakPolarHBondContact O-CB 3.19Å; L492-A496 PolarHBondContact O-N 3.05Å; L492-F508 HydrophobicContact CB-CE1 3.74Å; L492-F508 HydrophobicContact CB-CZ 3.94Å; L492-F508 WeakPolarHBondContact O-CZ 3.41Å
493	Y	96.2	Very high	92.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-57.1	-177.2	174.5	-102.3	0	0	0	111.9	F489 S490 R495 A496 F497 L505 F508 F509 E581 F583	F489-Y493 HydrophobicContact CE1-CD1 4.46Å; F489-Y493 HydrophobicContact CE1-CD2 4.4Å; F489-Y493 AromaticContact CE1-CG 3.99Å; F489-Y493 HydrophobicContact CE1-CG 3.99Å; F489-Y493 AromaticContact CZ-CD2 3.84Å; F489-Y493 HydrophobicContact CZ-CD2 3.84Å; F489-Y493 AromaticContact CZ-CG 3.88Å; F489-Y493 HydrophobicContact CZ-CG 3.88Å; F489-Y493 WeakPolarHBondContact O-CB 3.4Å; F489-Y493 PolarHBondContact O-N 2.84Å; S490-Y493 PolarHBondContact O-N 2.83Å; Y493-R495 PolarHBondContact O-N 2.71Å; Y493-A496 CarbonylContact O-C 3.58Å; Y493-A496 WeakPolarHBondContact O-CA 3.42Å; Y493-A496 WeakPolarHBondContact O-CB 3.19Å; Y493-A496 PolarHBondContact O-N 3.4Å; Y493-F497 WeakPolarHBondContact O-CB 2.95Å; Y493-F497 PolarHBondContact O-N 2.97Å; Y493-L505 HydrophobicContact CD2-CD1 4.42Å; Y493-L505 HydrophobicContact CE2-CD1 4.26Å; Y493-F508 HydrophobicContact CD2-CB 4.29Å; Y493-F508 HydrophobicContact CD2-CD1 4.17Å; Y493-F508 HydrophobicContact CD2-CG 4.2Å; Y493-F509 HydrophobicContact CE2-CE1 4.41Å; Y493-F509 AromaticContact CE2-CZ 3.8Å; Y493-F509 HydrophobicContact CE2-CZ 3.8Å; Y493-E581 PolarHBondContact OH-OE1 3.14Å; Y493-F583 HydrophobicContact CD1-CE1 4.13Å; Y493-F583 AromaticContact CD1-CZ 3.74Å; Y493-F583 HydrophobicContact CD1-CZ 3.74Å; Y493-F583 AromaticContact CE1-CE1 3.66Å; Y493-F583 HydrophobicContact CE1-CE1 3.66Å; Y493-F583 AromaticContact CE1-CZ 3.39Å; Y493-F583 HydrophobicContact CE1-CZ 3.39Å; Y493-F583 HydrophobicContact CE2-CE1 4.19Å; Y493-F583 AromaticContact CZ-CE1 3.65Å; Y493-F583 AromaticContact CZ-CZ 3.91Å
494	Y	95.3	Very high	92	Very high	11 Å²	11	57.7 Å²	57.7	4%	0.043	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-32.7	-179.7	-67.6	-74	0	0	0	111.8	S490 A496 F497 D498 C540 L542 V565 F579 E581 F583	S490-Y494 VanDerWaalsContact O-CD2 3.31Å; S490-Y494 WeakPolarHBondContact O-CD2 3.06Å; S490-Y494 PolarHBondContact O-N 2.83Å; S490-Y494 VanDerWaalsContact O-N 3.1Å; Y494-A496 VanDerWaalsContact C-N 3.27Å; Y494-A496 PolarHBondContact O-N 3.16Å; Y494-F497 PolarHBondContact O-N 3.38Å; Y494-D498 PolarHBondContact O-N 3.33Å; Y494-C540 HydrophobicContact CD1-CB 3.86Å; Y494-C540 HydrophobicContact CG-CB 4.42Å; Y494-L542 HydrophobicContact CD1-CD2 4.25Å; Y494-L542 HydrophobicContact CD2-CD1 3.68Å; Y494-L542 HydrophobicContact CD2-CD2 3.76Å; Y494-L542 HydrophobicContact CD2-CG 4.21Å; Y494-L542 HydrophobicContact CE1-CD2 4.27Å; Y494-L542 HydrophobicContact CE2-CD1 3.9Å; Y494-L542 HydrophobicContact CE2-CD2 3.75Å; Y494-L542 HydrophobicContact CE2-CG 4.46Å; Y494-L542 HydrophobicContact CG-CD2 4.01Å; Y494-V565 HydrophobicContact CE2-CG1 3.96Å; Y494-V565 HydrophobicContact CE2-CG2 4.2Å; Y494-F579 AromaticContact CE1-CE2 3.93Å; Y494-F579 HydrophobicContact CE1-CE2 3.93Å; Y494-F579 AromaticContact CE1-CZ 3.82Å; Y494-F579 HydrophobicContact CE1-CZ 3.82Å; Y494-E581 VanDerWaalsContact CE1-OE2 3.26Å; Y494-E581 WeakPolarHBondContact CE1-OE2 3.36Å; Y494-E581 VanDerWaalsContact CZ-OE2 3.32Å; Y494-E581 WeakPolarHBondContact OH-CB 3.12Å; Y494-E581 PolarHBondContact OH-OE2 2.93Å; Y494-F583 WeakPolarHBondContact OH-CE2 3.07Å
495	R	90.8	Very high	91.9	Very high	185 Å²	185	54.2 Å²	54.2	70%	0.698	28%	0.279	S	S	*	.	H	α-helix	trans	-67.8	-21.9	172.1	-174	174.4	-179.8	-164.3	-0.4	113.7	A491 L492 Y493 K499	A491-R495 VanDerWaalsContact O-CB 3.28Å; A491-R495 WeakPolarHBondContact O-CB 3.43Å; L492-R495 PolarHBondContact O-N 3.09Å; Y493-R495 PolarHBondContact O-N 2.71Å; R495-K499 WeakPolarHBondContact O-CE 3.25Å; R495-K499 WeakPolarHBondContact O-CG 3.32Å
496	A	91.4	Very high	91.8	Very high	3 Å²	3	56.4 Å²	56.4	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-87.6	-31.6	169.8	0	0	0	0	0	112.1	L492 Y493 Y494 K499 D504 L505 F508	L492-A496 WeakPolarHBondContact O-CB 3.19Å; L492-A496 PolarHBondContact O-N 3.05Å; Y493-A496 CarbonylContact O-C 3.58Å; Y493-A496 WeakPolarHBondContact O-CA 3.42Å; Y493-A496 WeakPolarHBondContact O-CB 3.19Å; Y493-A496 PolarHBondContact O-N 3.4Å; Y494-A496 VanDerWaalsContact C-N 3.27Å; Y494-A496 PolarHBondContact O-N 3.16Å; A496-K499 PolarHBondContact O-N 2.91Å; A496-D504 HydrophobicContact CB-CB 4.13Å; A496-L505 HydrophobicContact CB-CD1 4.02Å; A496-F508 HydrophobicContact CB-CD2 4.46Å; A496-F508 HydrophobicContact CB-CE2 3.54Å; A496-F508 HydrophobicContact CB-CZ 3.86Å
497	F	94.8	Very high	91.6	Very high	3 Å²	3	58.6 Å²	58.6	1%	0.013	32%	0.316	C	S	.	.	H	α-helix	trans	-70.8	-35.9	178.6	-164.4	-86.1	0	0	0	112.9	Y493 Y494 K499 R502 L505 W517 F532 L535 S538 I569 F571	Y493-F497 WeakPolarHBondContact O-CB 2.95Å; Y493-F497 PolarHBondContact O-N 2.97Å; Y494-F497 PolarHBondContact O-N 3.38Å; F497-K499 VanDerWaalsContact C-N 3.29Å; F497-K499 PolarHBondContact O-N 2.97Å; F497-R502 WeakPolarHBondContact O-CD 3.29Å; F497-R502 WeakPolarHBondContact O-CG 3.12Å; F497-R502 PolarHBondContact O-NE 3.34Å; F497-L505 HydrophobicContact CB-CD1 4.06Å; F497-L505 HydrophobicContact CD2-CD1 4.11Å; F497-L505 HydrophobicContact CD2-CD2 4.22Å; F497-W517 HydrophobicContact CZ-CH2 4Å; F497-W517 HydrophobicContact CZ-CZ3 4.23Å; F497-F532 AromaticContact CE2-CD1 3.65Å; F497-F532 HydrophobicContact CE2-CD1 3.65Å; F497-F532 AromaticContact CE2-CE1 3.69Å; F497-F532 HydrophobicContact CE2-CE1 3.69Å; F497-F532 HydrophobicContact CE2-CG 4.3Å; F497-F532 HydrophobicContact CE2-CZ 4.35Å; F497-F532 HydrophobicContact CZ-CD1 4.22Å; F497-F532 HydrophobicContact CZ-CE1 4.34Å; F497-L535 HydrophobicContact CZ-CD1 4.32Å; F497-S538 VanDerWaalsContact CD1-OG 3.25Å; F497-S538 WeakPolarHBondContact CD1-OG 3.39Å; F497-S538 WeakPolarHBondContact CE1-OG 3.48Å; F497-S538 PolarHBondContact O-OG 3.02Å; F497-I569 HydrophobicContact CE1-CD1 4.19Å; F497-F571 HydrophobicContact CE1-CE1 4.44Å
498	D	93.5	Very high	91.6	Very high	47 Å²	47	54.5 Å²	54.5	25%	0.251	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	9.5	176.7	-67.1	-22.5	0	0	0	113.8	Y494 S538 T539 C540	Y494-D498 PolarHBondContact O-N 3.33Å; D498-S538 VanDerWaalsContact OD1-C 3.25Å; D498-S538 WeakPolarHBondContact OD1-CB 3.36Å; D498-S538 PolarHBondContact OD1-OG 2.9Å; D498-T539 PolarHBondContact OD1-N 3.44Å; D498-C540 PolarHBondContact OD1-N 3.43Å; D498-C540 PolarHBondContact OD1-SG 2.89Å; D498-C540 WeakPolarHBondContact OD2-CB 3.05Å; D498-C540 PolarHBondContact OD2-N 3.44Å
499	K	89.6	Confident	91.9	Very high	80 Å²	80	49 Å²	49	35%	0.348	27%	0.272	S	S	.	.	S	Bend	trans	-83.6	135.5	170.2	-76.1	175.2	-173.5	-176.7	0	110.4	R495 A496 F497 N501 R502 D504	R495-K499 WeakPolarHBondContact O-CE 3.25Å; R495-K499 WeakPolarHBondContact O-CG 3.32Å; A496-K499 PolarHBondContact O-N 2.91Å; F497-K499 VanDerWaalsContact C-N 3.29Å; F497-K499 PolarHBondContact O-N 2.97Å; K499-N501 PolarHBondContact O-N 3.25Å; K499-R502 WeakPolarHBondContact O-CA 3.49Å; K499-R502 WeakPolarHBondContact O-CG 3.33Å; K499-R502 PolarHBondContact O-N 3.47Å; K499-D504 WeakPolarHBondContact CD-OD2 3.29Å; K499-D504 WeakPolarHBondContact CE-OD2 3.21Å; K499-D504 IonicContact NZ-OD2 3.72Å; K499-D504 PolarHBondContact NZ-OD2 2.83Å
500	P	89.1	Confident	91.9	Very high	78 Å²	78	49.5 Å²	49.5	51%	0.506	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	128.7	170.8	-28.4	35.7	0	0	0	112	R502 D537	P500-R502 PolarHBondContact O-N 2.87Å; P500-D537 WeakPolarHBondContact CA-OD1 3.07Å; P500-D537 WeakPolarHBondContact CB-OD2 3.43Å
501	N	84.9	Confident	92	Very high	145 Å²	145	55 Å²	55	78%	0.775	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	5.1	-174.1	-43.3	-91.8	0	0	0	116.2	K499	K499-N501 PolarHBondContact O-N 3.25Å
502	R	90.6	Very high	92.3	Very high	12 Å²	12	56.4 Å²	56.4	5%	0.045	30%	0.303	C	S	.	.			trans	44.4	48.8	173.2	-56.1	-173.2	174.7	100.9	12.2	115.6	F497 K499 P500 D504 L505 F532 L535 P536 S538	F497-R502 WeakPolarHBondContact O-CD 3.29Å; F497-R502 WeakPolarHBondContact O-CG 3.12Å; F497-R502 PolarHBondContact O-NE 3.34Å; K499-R502 WeakPolarHBondContact O-CA 3.49Å; K499-R502 WeakPolarHBondContact O-CG 3.33Å; K499-R502 PolarHBondContact O-N 3.47Å; P500-R502 PolarHBondContact O-N 2.87Å; R502-D504 PolarHBondContact O-N 3.2Å; R502-L505 HydrophobicContact CB-CB 4.15Å; R502-L505 HydrophobicContact CB-CD2 4.36Å; R502-L505 VanDerWaalsContact O-CB 3.29Å; R502-L505 WeakPolarHBondContact O-CB 3.41Å; R502-L505 PolarHBondContact O-N 3.48Å; R502-F532 PolarHBondContact NH1-O 3.47Å; R502-L535 PolarHBondContact NH1-O 2.94Å; R502-P536 PolarHBondContact NH2-O 2.87Å; R502-S538 PolarHBondContact NH2-OG 3.48Å; R502-S538 VanDerWaalsContact NH2-OG 3.09Å
503	P	90.6	Very high	92.6	Very high	86 Å²	86	51.6 Å²	51.6	56%	0.558	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-30.2	-166.4	27.1	-36.6	0	0	0	115.1	P506	P503-P506 WeakPolarHBondContact O-CD 3.48Å
504	D	88.5	Confident	92.7	Very high	75 Å²	75	53.4 Å²	53.4	40%	0.401	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-12.3	-177.9	-44.2	-71.4	0	0	0	113.1	A496 K499 R502 G507 F508	A496-D504 HydrophobicContact CB-CB 4.13Å; K499-D504 WeakPolarHBondContact CD-OD2 3.29Å; K499-D504 WeakPolarHBondContact CE-OD2 3.21Å; K499-D504 IonicContact NZ-OD2 3.72Å; K499-D504 PolarHBondContact NZ-OD2 2.83Å; R502-D504 PolarHBondContact O-N 3.2Å; D504-G507 PolarHBondContact O-N 3.1Å; D504-G507 VanDerWaalsContact O-N 3.15Å; D504-F508 HydrophobicContact CB-CE2 4.45Å; D504-F508 WeakPolarHBondContact O-CD2 3.44Å
505	L	91.9	Very high	92.8	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-57.5	-32.9	-171.4	-145.7	81.8	0	0	0	115	Y493 A496 F497 R502 G507 F508 F509 I529 F532	Y493-L505 HydrophobicContact CD2-CD1 4.42Å; Y493-L505 HydrophobicContact CE2-CD1 4.26Å; A496-L505 HydrophobicContact CB-CD1 4.02Å; F497-L505 HydrophobicContact CB-CD1 4.06Å; F497-L505 HydrophobicContact CD2-CD1 4.11Å; F497-L505 HydrophobicContact CD2-CD2 4.22Å; R502-L505 HydrophobicContact CB-CB 4.15Å; R502-L505 HydrophobicContact CB-CD2 4.36Å; R502-L505 VanDerWaalsContact O-CB 3.29Å; R502-L505 WeakPolarHBondContact O-CB 3.41Å; R502-L505 PolarHBondContact O-N 3.48Å; L505-G507 PolarHBondContact O-N 2.74Å; L505-F508 PolarHBondContact O-N 3.28Å; L505-F509 HydrophobicContact CD2-CE2 4.02Å; L505-F509 HydrophobicContact CG-CE2 3.91Å; L505-F509 VanDerWaalsContact O-CD2 3.26Å; L505-F509 WeakPolarHBondContact O-CD2 3.25Å; L505-F509 WeakPolarHBondContact O-CE2 3.3Å; L505-I529 HydrophobicContact CB-CD1 3.89Å; L505-I529 HydrophobicContact CD2-CD1 4.02Å; L505-I529 HydrophobicContact CG-CD1 4.23Å; L505-F532 HydrophobicContact CD2-CB 3.9Å; L505-F532 HydrophobicContact CD2-CD2 3.49Å; L505-F532 VanDerWaalsContact CD2-CD2 3.49Å; L505-F532 HydrophobicContact CD2-CE2 4.16Å; L505-F532 HydrophobicContact CD2-CG 3.84Å
506	P	92.7	Very high	93.1	Very high	47 Å²	47	46.8 Å²	46.8	31%	0.305	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-55.2	-32.7	175.6	-27.1	35.2	0	0	0	114.5	P503 F508 F509 I529	P503-P506 WeakPolarHBondContact O-CD 3.48Å; P506-F508 PolarHBondContact O-N 3.35Å; P506-F509 PolarHBondContact O-N 2.82Å; P506-I529 HydrophobicContact CB-CD1 4.35Å; P506-I529 HydrophobicContact CB-CG1 4.26Å; P506-I529 HydrophobicContact CG-CD1 3.97Å; P506-I529 HydrophobicContact CG-CG1 4Å; P506-I529 HydrophobicContact CG-CG2 4.15Å
507	G	90.7	Very high	93.4	Very high	46 Å²	46	47.3 Å²	47.3	47%	0.474	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-68.6	-13.8	-176.3	0	0	0	0	0	115.1	D504 L505 R593	D504-G507 PolarHBondContact O-N 3.1Å; D504-G507 VanDerWaalsContact O-N 3.15Å; L505-G507 PolarHBondContact O-N 2.74Å; G507-R593 PolarHBondContact O-NE 3.45Å
508	F	93.7	Very high	93.4	Very high	31 Å²	31	49.7 Å²	49.7	14%	0.136	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-89.2	-10.3	-176.9	-66.7	-95.9	0	0	0	113.8	F489 L492 Y493 A496 D504 L505 P506 R593 V594	F489-F508 HydrophobicContact CD2-CD1 4.19Å; F489-F508 HydrophobicContact CE2-CB 4.27Å; F489-F508 AromaticContact CE2-CD1 3.73Å; F489-F508 HydrophobicContact CE2-CD1 3.73Å; F489-F508 HydrophobicContact CE2-CG 4.5Å; F489-F508 HydrophobicContact CZ-CD1 4.38Å; L492-F508 HydrophobicContact CB-CE1 3.74Å; L492-F508 HydrophobicContact CB-CZ 3.94Å; L492-F508 WeakPolarHBondContact O-CZ 3.41Å; Y493-F508 HydrophobicContact CD2-CB 4.29Å; Y493-F508 HydrophobicContact CD2-CD1 4.17Å; Y493-F508 HydrophobicContact CD2-CG 4.2Å; A496-F508 HydrophobicContact CB-CD2 4.46Å; A496-F508 HydrophobicContact CB-CE2 3.54Å; A496-F508 HydrophobicContact CB-CZ 3.86Å; D504-F508 HydrophobicContact CB-CE2 4.45Å; D504-F508 WeakPolarHBondContact O-CD2 3.44Å; L505-F508 PolarHBondContact O-N 3.28Å; P506-F508 PolarHBondContact O-N 3.35Å; F508-R593 CarbonylContact O-C 3.53Å; F508-R593 VanDerWaalsContact O-CA 3.26Å; F508-R593 WeakPolarHBondContact O-CA 3.41Å; F508-V594 PolarHBondContact O-N 2.99Å
509	F	96.3	Very high	93.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.9	-168.4	-64	-69.3	0	0	0	113.3	Y493 L505 P506 V513 Q525 V528 I529 F532 V594 V597	Y493-F509 HydrophobicContact CE2-CE1 4.41Å; Y493-F509 AromaticContact CE2-CZ 3.8Å; Y493-F509 HydrophobicContact CE2-CZ 3.8Å; L505-F509 HydrophobicContact CD2-CE2 4.02Å; L505-F509 HydrophobicContact CG-CE2 3.91Å; L505-F509 VanDerWaalsContact O-CD2 3.26Å; L505-F509 WeakPolarHBondContact O-CD2 3.25Å; L505-F509 WeakPolarHBondContact O-CE2 3.3Å; P506-F509 PolarHBondContact O-N 2.82Å; F509-V513 HydrophobicContact CB-CB 4.31Å; F509-V513 HydrophobicContact CB-CG1 3.98Å; F509-V513 HydrophobicContact CD1-CB 4.31Å; F509-V513 HydrophobicContact CD1-CG1 4.28Å; F509-V513 HydrophobicContact CD1-CG2 3.83Å; F509-V513 HydrophobicContact CE1-CG2 4.48Å; F509-V513 HydrophobicContact CG-CG1 4.34Å; F509-Q525 HydrophobicContact CB-CG 4.15Å; F509-Q525 PolarHBondContact O-NE2 2.93Å; F509-Q525 VanDerWaalsContact O-NE2 3.14Å; F509-V528 HydrophobicContact CD1-CG1 4.45Å; F509-V528 HydrophobicContact CD2-CG1 4.44Å; F509-V528 HydrophobicContact CE1-CG1 4.26Å; F509-V528 HydrophobicContact CE2-CG1 4.21Å; F509-V528 HydrophobicContact CZ-CG1 4.14Å; F509-I529 HydrophobicContact CD2-CD1 3.87Å; F509-I529 HydrophobicContact CE2-CD1 3.85Å; F509-F532 HydrophobicContact CE1-CE2 4.33Å; F509-F532 HydrophobicContact CE2-CD2 4.25Å; F509-F532 AromaticContact CE2-CE2 3.94Å; F509-F532 HydrophobicContact CE2-CE2 3.94Å; F509-F532 HydrophobicContact CZ-CD2 4.23Å; F509-F532 AromaticContact CZ-CE2 3.48Å; F509-F532 HydrophobicContact CZ-CE2 3.48Å; F509-F532 VanDerWaalsContact CZ-CE2 3.48Å; F509-F532 HydrophobicContact CZ-CZ 4.33Å; F509-V594 HydrophobicContact CD1-CB 3.7Å; F509-V594 HydrophobicContact CD1-CG1 4.03Å; F509-V594 HydrophobicContact CD1-CG2 4.18Å; F509-V594 HydrophobicContact CE1-CB 4.04Å; F509-V594 HydrophobicContact CE1-CG1 4.13Å; F509-V594 HydrophobicContact CE1-CG2 4.14Å; F509-V597 HydrophobicContact CE1-CG1 4.3Å
510	M	95.7	Very high	93.7	Very high	20 Å²	20	50.8 Å²	50.8	10%	0.099	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	147.8	165	-61.9	-60.2	-68.3	0	0	110	N512 V513 T586 E588 R593 V594 Q595	M510-N512 WeakPolarHBondContact CB-OD1 3.21Å; M510-N512 PolarHBondContact O-N 2.9Å; M510-N512 VanDerWaalsContact O-N 3.1Å; M510-V513 WeakPolarHBondContact O-CB 3.48Å; M510-V513 WeakPolarHBondContact O-CG1 3.47Å; M510-V513 PolarHBondContact O-N 3.19Å; M510-T586 HydrophobicContact CE-CG2 4.15Å; M510-T586 HydrophobicContact CG-CG2 3.82Å; M510-T586 HydrophobicContact SD-CG2 3.66Å; M510-E588 HydrophobicContact CE-CB 4.4Å; M510-E588 VanDerWaalsContact CE-OE1 3.23Å; M510-E588 WeakPolarHBondContact CE-OE1 3.46Å; M510-E588 HydrophobicContact SD-CB 4.07Å; M510-R593 HydrophobicContact CG-CB 4.02Å; M510-R593 HydrophobicContact SD-CB 3.62Å; M510-R593 HydrophobicContact SD-CG 4.39Å; M510-V594 WeakPolarHBondContact CB-O 3.38Å; M510-V594 WeakPolarHBondContact CG-O 3.45Å; M510-V594 PolarHBondContact N-O 3.46Å; M510-Q595 HydrophobicContact CG-CB 4.41Å
511	D	95.5	Very high	94.1	Very high	115 Å²	115	54.1 Å²	54.1	62%	0.615	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55	-33.3	179.6	-78.6	6.7	0	0	0	112.7	G524 Q525	D511-G524 VanDerWaalsContact O-CA 3.3Å; D511-G524 WeakPolarHBondContact O-CA 3.39Å; D511-Q525 PolarHBondContact O-N 2.8Å; D511-Q525 PolarHBondContact OD1-NE2 3.39Å
512	N	95.5	Very high	94.6	Very high	98 Å²	98	48.4 Å²	48.4	52%	0.524	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	26.2	178.1	71.8	-26.5	0	0	0	114	M510 Q595	M510-N512 WeakPolarHBondContact CB-OD1 3.21Å; M510-N512 PolarHBondContact O-N 2.9Å; M510-N512 VanDerWaalsContact O-N 3.1Å; N512-Q595 PolarHBondContact ND2-NE2 2.98Å; N512-Q595 PolarHBondContact OD1-NE2 3.42Å
513	V	97.4	Very high	95	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	141.8	177	57.5	0	0	0	0	112.3	F509 M510 G524 Q525 V528 V594 Q595 V597	F509-V513 HydrophobicContact CB-CB 4.31Å; F509-V513 HydrophobicContact CB-CG1 3.98Å; F509-V513 HydrophobicContact CD1-CB 4.31Å; F509-V513 HydrophobicContact CD1-CG1 4.28Å; F509-V513 HydrophobicContact CD1-CG2 3.83Å; F509-V513 HydrophobicContact CE1-CG2 4.48Å; F509-V513 HydrophobicContact CG-CG1 4.34Å; M510-V513 WeakPolarHBondContact O-CB 3.48Å; M510-V513 WeakPolarHBondContact O-CG1 3.47Å; M510-V513 PolarHBondContact O-N 3.19Å; V513-G524 PolarHBondContact O-N 3.03Å; V513-Q525 HydrophobicContact CG1-CB 4.36Å; V513-V528 HydrophobicContact CG1-CB 4.13Å; V513-V528 HydrophobicContact CG1-CG1 4.39Å; V513-V528 HydrophobicContact CG1-CG2 3.83Å; V513-V594 HydrophobicContact CG2-CG1 4.03Å; V513-Q595 WeakPolarHBondContact CA-O 3.36Å; V513-V597 HydrophobicContact CG2-CG1 4.36Å
514	V	97.7	Very high	95.3	Very high	37 Å²	37	49.5 Å²	49.5	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.6	163.8	-176.3	0	0	0	0	109.6	R521 E523 Q595 S596 V597	V514-R521 HydrophobicContact CG1-CG 4.18Å; V514-E523 HydrophobicContact CG2-CG 4.44Å; V514-Q595 PolarHBondContact N-O 2.96Å; V514-S596 CarbonylContact O-C 3.57Å; V514-S596 WeakPolarHBondContact O-CA 3.23Å; V514-V597 PolarHBondContact O-N 2.95Å
515	L	98.1	Very high	95.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.2	169.9	167.9	65	0	0	0	109.6	W517 R521 V522 V528 F531 F532 V597	L515-W517 HydrophobicContact CD1-CB 4.21Å; L515-W517 HydrophobicContact CD1-CE3 4.38Å; L515-W517 HydrophobicContact CD2-CB 4.31Å; L515-W517 HydrophobicContact CG-CB 4.2Å; L515-R521 CarbonylContact O-C 3.54Å; L515-R521 WeakPolarHBondContact O-CA 3.49Å; L515-V522 HydrophobicContact CB-CB 4.3Å; L515-V522 HydrophobicContact CD2-CB 4.44Å; L515-V522 PolarHBondContact N-O 3Å; L515-V522 PolarHBondContact O-N 3.01Å; L515-V528 HydrophobicContact CB-CG1 4.42Å; L515-V528 HydrophobicContact CB-CG2 3.79Å; L515-V528 HydrophobicContact CD2-CG1 4.24Å; L515-V528 HydrophobicContact CD2-CG2 4.46Å; L515-F531 HydrophobicContact CD2-CD1 3.63Å; L515-F531 HydrophobicContact CD2-CE1 3.96Å; L515-F531 HydrophobicContact CD2-CG 4.42Å; L515-F532 HydrophobicContact CD1-CZ 4.08Å; L515-F532 HydrophobicContact CD2-CE1 4.01Å; L515-F532 HydrophobicContact CD2-CE2 4.13Å; L515-F532 HydrophobicContact CD2-CZ 3.66Å; L515-V597 CarbonylContact C-O 3.54Å; L515-V597 WeakPolarHBondContact CA-O 3.43Å; L515-V597 HydrophobicContact CB-CG1 4.14Å; L515-V597 HydrophobicContact CD1-CG1 3.71Å; L515-V597 HydrophobicContact CD1-CG2 4.42Å
516	L	97.8	Very high	95.9	Very high	57 Å²	57	56 Å²	56	30%	0.298	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	91.8	168.5	-170.9	70.2	0	0	0	109.5	G519 N520 R521 V597 T598 F599	L516-G519 WeakPolarHBondContact CD1-O 3.37Å; L516-N520 CarbonylContact C-O 3.55Å; L516-N520 WeakPolarHBondContact CA-O 3.38Å; L516-R521 HydrophobicContact CD1-CB 4.02Å; L516-V597 PolarHBondContact N-O 3.04Å; L516-T598 HydrophobicContact CB-CG2 4.32Å; L516-T598 HydrophobicContact CD2-CG2 4.04Å; L516-T598 HydrophobicContact CG-CG2 4.47Å; L516-T598 WeakPolarHBondContact O-CA 3.43Å; L516-F599 PolarHBondContact O-N 2.91Å
517	W	96.8	Very high	96.1	Very high	15 Å²	15	58.7 Å²	58.7	6%	0.057	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	106.4	-177.1	-174.5	-85.3	0	0	0	111.2	F497 L515 G519 N520 F531 F532 L535 F571 F599	F497-W517 HydrophobicContact CZ-CH2 4Å; F497-W517 HydrophobicContact CZ-CZ3 4.23Å; L515-W517 HydrophobicContact CD1-CB 4.21Å; L515-W517 HydrophobicContact CD1-CE3 4.38Å; L515-W517 HydrophobicContact CD2-CB 4.31Å; L515-W517 HydrophobicContact CG-CB 4.2Å; W517-G519 PolarHBondContact O-N 3.12Å; W517-N520 PolarHBondContact N-O 3.27Å; W517-N520 VanDerWaalsContact O-CB 3.31Å; W517-N520 WeakPolarHBondContact O-CB 3.25Å; W517-N520 PolarHBondContact O-N 2.92Å; W517-N520 PolarHBondContact O-ND2 3.32Å; W517-F531 HydrophobicContact CB-CE1 3.86Å; W517-F531 HydrophobicContact CB-CZ 3.84Å; W517-F531 AromaticContact CD1-CZ 3.55Å; W517-F531 AromaticContact CD2-CE1 3.81Å; W517-F531 HydrophobicContact CD2-CE1 3.81Å; W517-F531 HydrophobicContact CD2-CZ 4.14Å; W517-F531 HydrophobicContact CE3-CE1 4.26Å; W517-F531 AromaticContact CG-CE1 3.63Å; W517-F531 HydrophobicContact CG-CE1 3.63Å; W517-F531 AromaticContact CG-CZ 3.57Å; W517-F531 HydrophobicContact CG-CZ 3.57Å; W517-F532 AromaticContact CE3-CE1 3.82Å; W517-F532 HydrophobicContact CE3-CE1 3.82Å; W517-F532 AromaticContact CZ3-CE1 3.75Å; W517-F532 HydrophobicContact CZ3-CE1 3.75Å; W517-L535 HydrophobicContact CH2-CD1 3.75Å; W517-L535 HydrophobicContact CZ2-CD1 3.56Å; W517-L535 HydrophobicContact CZ3-CD1 4.29Å; W517-F571 HydrophobicContact CH2-CZ 4.08Å; W517-F571 HydrophobicContact CZ2-CE2 4.44Å; W517-F571 AromaticContact CZ2-CZ 3.95Å; W517-F571 HydrophobicContact CZ2-CZ 3.95Å; W517-F599 HydrophobicContact CD2-CB 4.11Å; W517-F599 AromaticContact CD2-CD1 3.65Å; W517-F599 HydrophobicContact CD2-CD1 3.65Å; W517-F599 HydrophobicContact CD2-CE1 4.31Å; W517-F599 AromaticContact CD2-CG 3.96Å; W517-F599 HydrophobicContact CD2-CG 3.96Å; W517-F599 AromaticContact CE2-CD1 3.7Å; W517-F599 AromaticContact CE2-CE1 3.89Å; W517-F599 HydrophobicContact CE3-CB 3.48Å; W517-F599 VanDerWaalsContact CE3-CB 3.48Å; W517-F599 AromaticContact CE3-CD1 3.64Å; W517-F599 HydrophobicContact CE3-CD1 3.64Å; W517-F599 HydrophobicContact CE3-CD2 4.04Å; W517-F599 HydrophobicContact CE3-CE1 4.4Å; W517-F599 AromaticContact CE3-CG 3.44Å; W517-F599 HydrophobicContact CE3-CG 3.44Å; W517-F599 VanDerWaalsContact CE3-CG 3.44Å; W517-F599 HydrophobicContact CG-CD1 4.37Å; W517-F599 AromaticContact CH2-CD1 3.72Å; W517-F599 HydrophobicContact CH2-CD1 3.72Å; W517-F599 AromaticContact CH2-CD2 3.77Å; W517-F599 HydrophobicContact CH2-CD2 3.77Å; W517-F599 AromaticContact CH2-CE1 3.65Å; W517-F599 HydrophobicContact CH2-CE1 3.65Å; W517-F599 AromaticContact CH2-CE2 3.66Å; W517-F599 HydrophobicContact CH2-CE2 3.66Å; W517-F599 AromaticContact CH2-CG 3.8Å; W517-F599 HydrophobicContact CH2-CG 3.8Å; W517-F599 AromaticContact CH2-CZ 3.62Å; W517-F599 HydrophobicContact CH2-CZ 3.62Å; W517-F599 AromaticContact CZ2-CD1 3.75Å; W517-F599 HydrophobicContact CZ2-CD1 3.75Å; W517-F599 AromaticContact CZ2-CE1 3.55Å; W517-F599 HydrophobicContact CZ2-CE1 3.55Å; W517-F599 HydrophobicContact CZ2-CE2 4.4Å; W517-F599 HydrophobicContact CZ2-CG 4.3Å; W517-F599 AromaticContact CZ2-CZ 3.9Å; W517-F599 HydrophobicContact CZ2-CZ 3.9Å; W517-F599 HydrophobicContact CZ3-CB 3.82Å; W517-F599 AromaticContact CZ3-CD1 3.67Å; W517-F599 HydrophobicContact CZ3-CD1 3.67Å; W517-F599 AromaticContact CZ3-CD2 3.44Å; W517-F599 HydrophobicContact CZ3-CD2 3.44Å; W517-F599 VanDerWaalsContact CZ3-CD2 3.44Å; W517-F599 HydrophobicContact CZ3-CE1 4.09Å; W517-F599 AromaticContact CZ3-CE2 3.86Å; W517-F599 HydrophobicContact CZ3-CE2 3.86Å; W517-F599 AromaticContact CZ3-CG 3.35Å; W517-F599 HydrophobicContact CZ3-CG 3.35Å; W517-F599 HydrophobicContact CZ3-CZ 4.17Å
518	N	95.1	Very high	96.4	Very high	53 Å²	53	56.5 Å²	56.5	28%	0.283	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	39.1	-174.9	-67.5	-64.4	0	0	0	112.8	N520 F599 R600 F601	N518-N520 VanDerWaalsContact C-N 3.33Å; N518-N520 PolarHBondContact O-N 3.17Å; N518-N520 PolarHBondContact O-ND2 2.69Å; N518-F599 PolarHBondContact N-O 3.48Å; N518-R600 WeakPolarHBondContact OD1-CA 3.4Å; N518-F601 VanDerWaalsContact ND2-CD2 3.26Å; N518-F601 WeakPolarHBondContact ND2-CD2 3.43Å; N518-F601 VanDerWaalsContact ND2-CE2 3.32Å; N518-F601 WeakPolarHBondContact ND2-CE2 3.32Å; N518-F601 WeakPolarHBondContact OD1-CD2 3.42Å; N518-F601 PolarHBondContact OD1-N 2.9Å
519	G	93.4	Very high	96.5	Very high	47 Å²	47	56.9 Å²	56.9	49%	0.485	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-10.5	-176.5	0	0	0	0	0	115.6	L516 W517	L516-G519 WeakPolarHBondContact CD1-O 3.37Å; W517-G519 PolarHBondContact O-N 3.12Å
520	N	95	Very high	96.5	Very high	102 Å²	102	60.4 Å²	60.4	55%	0.545	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	121.1	176	-55.2	-85.7	0	0	0	109.8	L516 W517 N518	L516-N520 CarbonylContact C-O 3.55Å; L516-N520 WeakPolarHBondContact CA-O 3.38Å; W517-N520 PolarHBondContact N-O 3.27Å; W517-N520 VanDerWaalsContact O-CB 3.31Å; W517-N520 WeakPolarHBondContact O-CB 3.25Å; W517-N520 PolarHBondContact O-N 2.92Å; W517-N520 PolarHBondContact O-ND2 3.32Å; N518-N520 VanDerWaalsContact C-N 3.33Å; N518-N520 PolarHBondContact O-N 3.17Å; N518-N520 PolarHBondContact O-ND2 2.69Å
521	R	97.4	Very high	96.5	Very high	148 Å²	148	61.8 Å²	61.8	56%	0.558	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.9	-174.9	-171.7	170.4	174.7	-83.9	-5.7	111.5	V514 L515 L516 E523	V514-R521 HydrophobicContact CG1-CG 4.18Å; L515-R521 CarbonylContact O-C 3.54Å; L515-R521 WeakPolarHBondContact O-CA 3.49Å; L516-R521 HydrophobicContact CD1-CB 4.02Å; R521-E523 IonicContact CZ-OE1 3.67Å; R521-E523 IonicContact CZ-OE2 2.97Å; R521-E523 IonicContact NH1-OE1 3.39Å; R521-E523 PolarHBondContact NH1-OE1 3.31Å; R521-E523 IonicContact NH1-OE2 2.67Å; R521-E523 IonicContact NH2-OE1 2.69Å; R521-E523 PolarHBondContact NH2-OE1 3.04Å; R521-E523 IonicContact NH2-OE2 3.26Å; R521-E523 PolarHBondContact NH2-OE2 2.65Å
522	V	97.4	Very high	96.5	Very high	25 Å²	25	56.3 Å²	56.3	15%	0.152	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138	177.2	-173.8	0	0	0	0	108.6	L515 L527 V528 F531	L515-V522 HydrophobicContact CB-CB 4.3Å; L515-V522 HydrophobicContact CD2-CB 4.44Å; L515-V522 PolarHBondContact N-O 3Å; L515-V522 PolarHBondContact O-N 3.01Å; V522-L527 HydrophobicContact CG1-CB 3.77Å; V522-V528 HydrophobicContact CB-CG2 4.26Å; V522-V528 HydrophobicContact CG1-CG2 3.9Å; V522-F531 HydrophobicContact CG1-CB 4.46Å; V522-F531 HydrophobicContact CG2-CD2 4.18Å; V522-F531 HydrophobicContact CG2-CG 4.28Å
523	E	97.5	Very high	96.4	Very high	100 Å²	100	55.3 Å²	55.3	47%	0.467	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.4	-175.1	-66.5	-172.7	-95.3	0	0	112.5	V514 R521 L527	V514-E523 HydrophobicContact CG2-CG 4.44Å; R521-E523 IonicContact CZ-OE1 3.67Å; R521-E523 IonicContact CZ-OE2 2.97Å; R521-E523 IonicContact NH1-OE1 3.39Å; R521-E523 PolarHBondContact NH1-OE1 3.31Å; R521-E523 IonicContact NH1-OE2 2.67Å; R521-E523 IonicContact NH2-OE1 2.69Å; R521-E523 PolarHBondContact NH2-OE1 3.04Å; R521-E523 IonicContact NH2-OE2 3.26Å; R521-E523 PolarHBondContact NH2-OE2 2.65Å; E523-L527 WeakPolarHBondContact O-CB 3.48Å
524	G	96.8	Very high	96.2	Very high	21 Å²	21	61.9 Å²	61.9	22%	0.216	32%	0.32	C	S	.	.	S	Bend	trans	82.6	136.8	176.2	0	0	0	0	0	113.1	D511 V513 K526 L527 V528	D511-G524 VanDerWaalsContact O-CA 3.3Å; D511-G524 WeakPolarHBondContact O-CA 3.39Å; V513-G524 PolarHBondContact O-N 3.03Å; G524-K526 PolarHBondContact O-N 2.85Å; G524-K526 VanDerWaalsContact O-N 3.08Å; G524-L527 PolarHBondContact O-N 3.02Å; G524-V528 PolarHBondContact O-N 2.94Å
525	Q	97	Very high	96	Very high	38 Å²	38	61.9 Å²	61.9	18%	0.178	32%	0.318	C	S	.	.	H	α-helix	trans	-48.6	-43.6	-173.4	-179.5	-163.6	92.8	0	0	113	F509 D511 V513 L527 V528 I529	F509-Q525 HydrophobicContact CB-CG 4.15Å; F509-Q525 PolarHBondContact O-NE2 2.93Å; F509-Q525 VanDerWaalsContact O-NE2 3.14Å; D511-Q525 PolarHBondContact O-N 2.8Å; D511-Q525 PolarHBondContact OD1-NE2 3.39Å; V513-Q525 HydrophobicContact CG1-CB 4.36Å; Q525-L527 PolarHBondContact O-N 3.22Å; Q525-V528 PolarHBondContact O-N 2.8Å; Q525-I529 WeakPolarHBondContact O-CB 3.27Å; Q525-I529 VanDerWaalsContact O-CG1 3.28Å; Q525-I529 WeakPolarHBondContact O-CG1 3.29Å; Q525-I529 PolarHBondContact O-N 2.83Å
526	K	96.7	Very high	95.8	Very high	175 Å²	175	64.3 Å²	64.3	76%	0.761	33%	0.334	S	S	*	.	H	α-helix	trans	-63.3	-42.3	-178.4	-65.5	179.6	-177.2	174.1	0	113.2	G524 D530	G524-K526 PolarHBondContact O-N 2.85Å; G524-K526 VanDerWaalsContact O-N 3.08Å; K526-D530 VanDerWaalsContact O-CB 3.28Å; K526-D530 WeakPolarHBondContact O-CB 3.45Å; K526-D530 PolarHBondContact O-N 2.84Å
527	L	97	Very high	95.6	Very high	104 Å²	104	64.8 Å²	64.8	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-76.6	-32.5	178.7	-60.8	-176.6	0	0	0	111.5	V522 E523 G524 Q525 F531	V522-L527 HydrophobicContact CG1-CB 3.77Å; E523-L527 WeakPolarHBondContact O-CB 3.48Å; G524-L527 PolarHBondContact O-N 3.02Å; Q525-L527 PolarHBondContact O-N 3.22Å; L527-F531 VanDerWaalsContact O-CB 3.26Å; L527-F531 WeakPolarHBondContact O-CB 3.37Å; L527-F531 PolarHBondContact O-N 3.32Å
528	V	97	Very high	95.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-64.4	-42.7	173.2	168.4	0	0	0	0	111.4	F509 V513 L515 V522 G524 Q525 F531 F532	F509-V528 HydrophobicContact CD1-CG1 4.45Å; F509-V528 HydrophobicContact CD2-CG1 4.44Å; F509-V528 HydrophobicContact CE1-CG1 4.26Å; F509-V528 HydrophobicContact CE2-CG1 4.21Å; F509-V528 HydrophobicContact CZ-CG1 4.14Å; V513-V528 HydrophobicContact CG1-CB 4.13Å; V513-V528 HydrophobicContact CG1-CG1 4.39Å; V513-V528 HydrophobicContact CG1-CG2 3.83Å; L515-V528 HydrophobicContact CB-CG1 4.42Å; L515-V528 HydrophobicContact CB-CG2 3.79Å; L515-V528 HydrophobicContact CD2-CG1 4.24Å; L515-V528 HydrophobicContact CD2-CG2 4.46Å; V522-V528 HydrophobicContact CB-CG2 4.26Å; V522-V528 HydrophobicContact CG1-CG2 3.9Å; G524-V528 PolarHBondContact O-N 2.94Å; Q525-V528 PolarHBondContact O-N 2.8Å; V528-F531 WeakPolarHBondContact O-CB 3.43Å; V528-F531 PolarHBondContact O-N 3.48Å; V528-F532 HydrophobicContact CG1-CD2 3.72Å; V528-F532 HydrophobicContact CG1-CE2 3.34Å; V528-F532 HydrophobicContact CG1-CZ 4.32Å; V528-F532 WeakPolarHBondContact O-CD2 3.16Å; V528-F532 WeakPolarHBondContact O-CG 3.24Å; V528-F532 PolarHBondContact O-N 3.3Å
529	I	95.7	Very high	95.6	Very high	40 Å²	40	66.2 Å²	66.2	21%	0.205	35%	0.35	C	S	.	.	H	α-helix	trans	-70.3	-40.7	175.4	-65.4	-60.6	0	0	0	112.3	L505 P506 F509 Q525 F531 F532 S533	L505-I529 HydrophobicContact CB-CD1 3.89Å; L505-I529 HydrophobicContact CD2-CD1 4.02Å; L505-I529 HydrophobicContact CG-CD1 4.23Å; P506-I529 HydrophobicContact CB-CD1 4.35Å; P506-I529 HydrophobicContact CB-CG1 4.26Å; P506-I529 HydrophobicContact CG-CD1 3.97Å; P506-I529 HydrophobicContact CG-CG1 4Å; P506-I529 HydrophobicContact CG-CG2 4.15Å; F509-I529 HydrophobicContact CD2-CD1 3.87Å; F509-I529 HydrophobicContact CE2-CD1 3.85Å; Q525-I529 WeakPolarHBondContact O-CB 3.27Å; Q525-I529 VanDerWaalsContact O-CG1 3.28Å; Q525-I529 WeakPolarHBondContact O-CG1 3.29Å; Q525-I529 PolarHBondContact O-N 2.83Å; I529-F531 VanDerWaalsContact C-N 3.28Å; I529-F531 PolarHBondContact O-N 3.24Å; I529-F532 PolarHBondContact O-N 2.83Å; I529-S533 PolarHBondContact O-N 2.63Å
530	D	95.7	Very high	95.7	Very high	73 Å²	73	64.8 Å²	64.8	39%	0.39	33%	0.332	S	S	.	.	H	α-helix	trans	-65.6	-28.4	173.3	171.3	65.5	0	0	0	112.9	K526 S533 K534	K526-D530 VanDerWaalsContact O-CB 3.28Å; K526-D530 WeakPolarHBondContact O-CB 3.45Å; K526-D530 PolarHBondContact O-N 2.84Å; D530-S533 PolarHBondContact O-OG 3.31Å; D530-S533 VanDerWaalsContact O-OG 3.06Å; D530-K534 WeakPolarHBondContact O-CD 3.42Å; D530-K534 WeakPolarHBondContact O-CE 3.4Å; D530-K534 WeakPolarHBondContact O-CG 3.32Å; D530-K534 PolarHBondContact O-NZ 2.85Å; D530-K534 WeakPolarHBondContact OD1-CE 3.48Å; D530-K534 IonicContact OD1-NZ 2.66Å; D530-K534 PolarHBondContact OD1-NZ 2.84Å; D530-K534 IonicContact OD2-NZ 2.84Å; D530-K534 PolarHBondContact OD2-NZ 3.34Å
531	F	96.2	Very high	95.7	Very high	49 Å²	49	63.5 Å²	63.5	22%	0.215	33%	0.328	C	S	.	.	H	α-helix	trans	-69.4	-50	168.5	175.5	-94.1	0	0	0	111.1	L515 W517 V522 L527 V528 I529 S533 K534 L535	L515-F531 HydrophobicContact CD2-CD1 3.63Å; L515-F531 HydrophobicContact CD2-CE1 3.96Å; L515-F531 HydrophobicContact CD2-CG 4.42Å; W517-F531 HydrophobicContact CB-CE1 3.86Å; W517-F531 HydrophobicContact CB-CZ 3.84Å; W517-F531 AromaticContact CD1-CZ 3.55Å; W517-F531 AromaticContact CD2-CE1 3.81Å; W517-F531 HydrophobicContact CD2-CE1 3.81Å; W517-F531 HydrophobicContact CD2-CZ 4.14Å; W517-F531 HydrophobicContact CE3-CE1 4.26Å; W517-F531 AromaticContact CG-CE1 3.63Å; W517-F531 HydrophobicContact CG-CE1 3.63Å; W517-F531 AromaticContact CG-CZ 3.57Å; W517-F531 HydrophobicContact CG-CZ 3.57Å; V522-F531 HydrophobicContact CG1-CB 4.46Å; V522-F531 HydrophobicContact CG2-CD2 4.18Å; V522-F531 HydrophobicContact CG2-CG 4.28Å; L527-F531 VanDerWaalsContact O-CB 3.26Å; L527-F531 WeakPolarHBondContact O-CB 3.37Å; L527-F531 PolarHBondContact O-N 3.32Å; V528-F531 WeakPolarHBondContact O-CB 3.43Å; V528-F531 PolarHBondContact O-N 3.48Å; I529-F531 VanDerWaalsContact C-N 3.28Å; I529-F531 PolarHBondContact O-N 3.24Å; F531-S533 VanDerWaalsContact C-N 3.31Å; F531-S533 PolarHBondContact O-N 3.42Å; F531-K534 PolarHBondContact O-N 3.38Å; F531-K534 VanDerWaalsContact O-N 3.13Å; F531-L535 HydrophobicContact CE1-CD1 4.08Å; F531-L535 HydrophobicContact CE1-CD2 4.3Å; F531-L535 HydrophobicContact CE1-CG 4.37Å; F531-L535 HydrophobicContact CZ-CD2 4.15Å
532	F	95.3	Very high	95.6	Very high	1 Å²	1	59.5 Å²	59.5	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-29.5	-179.5	-71.2	-49.1	0	0	0	113.6	F497 R502 L505 F509 L515 W517 V528 I529 K534 L535	F497-F532 AromaticContact CE2-CD1 3.65Å; F497-F532 HydrophobicContact CE2-CD1 3.65Å; F497-F532 AromaticContact CE2-CE1 3.69Å; F497-F532 HydrophobicContact CE2-CE1 3.69Å; F497-F532 HydrophobicContact CE2-CG 4.3Å; F497-F532 HydrophobicContact CE2-CZ 4.35Å; F497-F532 HydrophobicContact CZ-CD1 4.22Å; F497-F532 HydrophobicContact CZ-CE1 4.34Å; R502-F532 PolarHBondContact NH1-O 3.47Å; L505-F532 HydrophobicContact CD2-CB 3.9Å; L505-F532 HydrophobicContact CD2-CD2 3.49Å; L505-F532 VanDerWaalsContact CD2-CD2 3.49Å; L505-F532 HydrophobicContact CD2-CE2 4.16Å; L505-F532 HydrophobicContact CD2-CG 3.84Å; F509-F532 HydrophobicContact CE1-CE2 4.33Å; F509-F532 HydrophobicContact CE2-CD2 4.25Å; F509-F532 AromaticContact CE2-CE2 3.94Å; F509-F532 HydrophobicContact CE2-CE2 3.94Å; F509-F532 HydrophobicContact CZ-CD2 4.23Å; F509-F532 AromaticContact CZ-CE2 3.48Å; F509-F532 HydrophobicContact CZ-CE2 3.48Å; F509-F532 VanDerWaalsContact CZ-CE2 3.48Å; F509-F532 HydrophobicContact CZ-CZ 4.33Å; L515-F532 HydrophobicContact CD1-CZ 4.08Å; L515-F532 HydrophobicContact CD2-CE1 4.01Å; L515-F532 HydrophobicContact CD2-CE2 4.13Å; L515-F532 HydrophobicContact CD2-CZ 3.66Å; W517-F532 AromaticContact CE3-CE1 3.82Å; W517-F532 HydrophobicContact CE3-CE1 3.82Å; W517-F532 AromaticContact CZ3-CE1 3.75Å; W517-F532 HydrophobicContact CZ3-CE1 3.75Å; V528-F532 HydrophobicContact CG1-CD2 3.72Å; V528-F532 HydrophobicContact CG1-CE2 3.34Å; V528-F532 HydrophobicContact CG1-CZ 4.32Å; V528-F532 WeakPolarHBondContact O-CD2 3.16Å; V528-F532 WeakPolarHBondContact O-CG 3.24Å; V528-F532 PolarHBondContact O-N 3.3Å; I529-F532 PolarHBondContact O-N 2.83Å; F532-K534 PolarHBondContact O-N 2.56Å; F532-L535 HydrophobicContact CD1-CD1 3.95Å; F532-L535 PolarHBondContact O-N 3.43Å
533	S	92.5	Very high	95.4	Very high	76 Å²	76	63.2 Å²	63.2	53%	0.531	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-11.8	175.5	69.8	0	0	0	0	114	I529 D530 F531	I529-S533 PolarHBondContact O-N 2.63Å; D530-S533 PolarHBondContact O-OG 3.31Å; D530-S533 VanDerWaalsContact O-OG 3.06Å; F531-S533 VanDerWaalsContact C-N 3.31Å; F531-S533 PolarHBondContact O-N 3.42Å
534	K	93.5	Very high	95.4	Very high	139 Å²	139	61.6 Å²	61.6	60%	0.604	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-9.7	179.6	-65.7	164.9	-169	164.6	0	113.8	D530 F531 F532	D530-K534 WeakPolarHBondContact O-CD 3.42Å; D530-K534 WeakPolarHBondContact O-CE 3.4Å; D530-K534 WeakPolarHBondContact O-CG 3.32Å; D530-K534 PolarHBondContact O-NZ 2.85Å; D530-K534 WeakPolarHBondContact OD1-CE 3.48Å; D530-K534 IonicContact OD1-NZ 2.66Å; D530-K534 PolarHBondContact OD1-NZ 2.84Å; D530-K534 IonicContact OD2-NZ 2.84Å; D530-K534 PolarHBondContact OD2-NZ 3.34Å; F531-K534 PolarHBondContact O-N 3.38Å; F531-K534 VanDerWaalsContact O-N 3.13Å; F532-K534 PolarHBondContact O-N 2.56Å
535	L	93.7	Very high	95.3	Very high	36 Å²	36	63.5 Å²	63.5	19%	0.188	34%	0.338	C	S	.	.	S	Bend	trans	-80.8	144.4	171.8	-54.7	-178.9	0	0	0	109.7	F497 R502 W517 F531 F532 F571	F497-L535 HydrophobicContact CZ-CD1 4.32Å; R502-L535 PolarHBondContact NH1-O 2.94Å; W517-L535 HydrophobicContact CH2-CD1 3.75Å; W517-L535 HydrophobicContact CZ2-CD1 3.56Å; W517-L535 HydrophobicContact CZ3-CD1 4.29Å; F531-L535 HydrophobicContact CE1-CD1 4.08Å; F531-L535 HydrophobicContact CE1-CD2 4.3Å; F531-L535 HydrophobicContact CE1-CG 4.37Å; F531-L535 HydrophobicContact CZ-CD2 4.15Å; F532-L535 HydrophobicContact CD1-CD1 3.95Å; F532-L535 PolarHBondContact O-N 3.43Å; L535-F571 HydrophobicContact CB-CE1 4.16Å; L535-F571 HydrophobicContact CD1-CE1 4.43Å; L535-F571 HydrophobicContact CD1-CZ 4.47Å
536	P	94.6	Very high	95.3	Very high	51 Å²	51	64.3 Å²	64.3	33%	0.331	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-55	162.4	174.6	-21.9	32	0	0	0	112.8	R502 F571 E572	R502-P536 PolarHBondContact NH2-O 2.87Å; P536-F571 HydrophobicContact CB-CB 4.29Å; P536-F571 HydrophobicContact CB-CD1 4.22Å; P536-F571 HydrophobicContact CG-CB 4.47Å; P536-F571 HydrophobicContact CG-CD1 4.48Å; P536-F571 WeakPolarHBondContact O-CD1 3.5Å; P536-E572 HydrophobicContact CB-CB 4.21Å
537	D	94.2	Very high	95.2	Very high	68 Å²	68	56.8 Å²	56.8	36%	0.364	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-58.1	146.3	168	-81.6	-4.9	0	0	0	110.1	P500 F571 E572	P500-D537 WeakPolarHBondContact CA-OD1 3.07Å; P500-D537 WeakPolarHBondContact CB-OD2 3.43Å; D537-F571 CarbonylContact O-C 3.35Å; D537-F571 WeakPolarHBondContact O-CA 3.25Å; D537-E572 PolarHBondContact O-N 2.73Å
538	S	94.9	Very high	95.1	Very high	7 Å²	7	56 Å²	56	5%	0.049	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	164.6	-168	55.2	0	0	0	0	112.9	F497 D498 R502 K570	F497-S538 VanDerWaalsContact CD1-OG 3.25Å; F497-S538 WeakPolarHBondContact CD1-OG 3.39Å; F497-S538 WeakPolarHBondContact CE1-OG 3.48Å; F497-S538 PolarHBondContact O-OG 3.02Å; D498-S538 VanDerWaalsContact OD1-C 3.25Å; D498-S538 WeakPolarHBondContact OD1-CB 3.36Å; D498-S538 PolarHBondContact OD1-OG 2.9Å; R502-S538 PolarHBondContact NH2-OG 3.48Å; R502-S538 VanDerWaalsContact NH2-OG 3.09Å; S538-K570 CarbonylContact C-O 3.53Å; S538-K570 WeakPolarHBondContact CA-O 3.45Å
539	T	95.8	Very high	95	Very high	90 Å²	90	57.2 Å²	57.2	55%	0.552	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	117.5	162.1	-54.8	0	0	0	0	108.3	D498 K570	D498-T539 PolarHBondContact OD1-N 3.44Å; T539-K570 PolarHBondContact N-O 3.27Å; T539-K570 PolarHBondContact O-N 2.99Å
540	C	94.9	Very high	94.9	Very high	18 Å²	18	56.6 Å²	56.6	12%	0.122	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.2	-178	-58.3	0	0	0	0	110	Y494 D498 I569	Y494-C540 HydrophobicContact CD1-CB 3.86Å; Y494-C540 HydrophobicContact CG-CB 4.42Å; D498-C540 PolarHBondContact OD1-N 3.43Å; D498-C540 PolarHBondContact OD1-SG 2.89Å; D498-C540 WeakPolarHBondContact OD2-CB 3.05Å; D498-C540 PolarHBondContact OD2-N 3.44Å; C540-I569 VanDerWaalsContact SG-CD1 3.57Å
541	T	95.6	Very high	94.5	Very high	75 Å²	75	59.5 Å²	59.5	46%	0.46	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	112.1	173.4	-59.8	0	0	0	0	108.7	H543 G567 T568	T541-H543 PolarHBondContact O-CE1 2.81Å; T541-G567 CarbonylContact O-C 3.51Å; T541-G567 VanDerWaalsContact O-CA 3.23Å; T541-G567 WeakPolarHBondContact O-CA 3.26Å; T541-T568 PolarHBondContact N-O 3.43Å; T541-T568 PolarHBondContact O-N 3.17Å
542	L	95.1	Very high	93.9	Very high	63 Å²	63	63 Å²	63	33%	0.33	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	146.6	-179.2	-48.6	-169.4	0	0	0	110.5	Y494 V565 F579	Y494-L542 HydrophobicContact CD1-CD2 4.25Å; Y494-L542 HydrophobicContact CD2-CD1 3.68Å; Y494-L542 HydrophobicContact CD2-CD2 3.76Å; Y494-L542 HydrophobicContact CD2-CG 4.21Å; Y494-L542 HydrophobicContact CE1-CD2 4.27Å; Y494-L542 HydrophobicContact CE2-CD1 3.9Å; Y494-L542 HydrophobicContact CE2-CD2 3.75Å; Y494-L542 HydrophobicContact CE2-CG 4.46Å; Y494-L542 HydrophobicContact CG-CD2 4.01Å; L542-V565 HydrophobicContact CD1-CG1 4.11Å; L542-V565 HydrophobicContact CD2-CG1 3.69Å; L542-V565 HydrophobicContact CG-CG1 4.34Å; L542-F579 HydrophobicContact CD2-CZ 4.05Å
543	H	94.5	Very high	93.3	Very high	103 Å²	103	67.5 Å²	67.5	48%	0.477	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	-35.8	-178.8	-61.8	-20.9	0	0	0	111.9	T541 F566 T568	T541-H543 PolarHBondContact O-CE1 2.81Å; H543-F566 HydrophobicContact CB-CD1 4Å; H543-F566 HydrophobicContact CB-CE1 4.36Å; H543-F566 PolarHBondContact N-O 2.93Å; H543-T568 PolarHBondContact CE1-OG1 3.44Å; H543-T568 WeakPolarHBondContact NE2-CG2 3.5Å; H543-T568 PolarHBondContact NE2-N 2.94Å; H543-T568 PolarHBondContact NE2-OG1 2.87Å
544	S	95.8	Very high	93	Very high	67 Å²	67	70.6 Å²	70.6	47%	0.469	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	158	165.1	65.1	0	0	0	0	111.6	F566	S544-F566 PolarHBondContact N-O 2.94Å; S544-F566 PolarHBondContact O-N 2.66Å
545	L	95.3	Very high	92.5	Very high	61 Å²	61	64.7 Å²	64.7	32%	0.319	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.9	177.1	176.6	68.2	0	0	0	106.4	E487 S490 V563 N564 V565	E487-L545 HydrophobicContact CB-CD2 4.35Å; E487-L545 HydrophobicContact CG-CD2 3.82Å; S490-L545 WeakPolarHBondContact OG-CD1 3.38Å; L545-V563 HydrophobicContact CD1-CG1 3.45Å; L545-V563 VanDerWaalsContact CD1-CG1 3.45Å; L545-N564 WeakPolarHBondContact CA-O 3.39Å; L545-V565 HydrophobicContact CD1-CG2 3.8Å
546	S	96.3	Very high	92	Very high	55 Å²	55	64.8 Å²	64.8	39%	0.385	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.5	167.7	59.5	0	0	0	0	110.6	V563 N564	S546-V563 CarbonylContact O-C 3.58Å; S546-V563 WeakPolarHBondContact O-CA 3.35Å; S546-N564 PolarHBondContact N-O 3.06Å; S546-N564 PolarHBondContact O-N 3.48Å
547	C	96.3	Very high	91.5	Very high	16 Å²	16	70.9 Å²	70.9	11%	0.108	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.8	-172	-51.5	0	0	0	0	108.8	A482 V561 L562	A482-C547 VanDerWaalsContact O-CB 3.3Å; A482-C547 WeakPolarHBondContact O-CB 3.45Å; C547-V561 HydrophobicContact CB-CG1 4.48Å; C547-L562 CarbonylContact C-O 3.53Å; C547-L562 WeakPolarHBondContact CA-O 3.39Å
548	Q	94.6	Very high	91.1	Very high	89 Å²	89	75.4 Å²	75.4	42%	0.416	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.1	-178.6	-52.8	-171.7	-10.7	0	0	110.4	W479 V550 V561 L562	W479-Q548 HydrophobicContact CH2-CB 4Å; W479-Q548 HydrophobicContact CH2-CG 4.02Å; W479-Q548 HydrophobicContact CZ3-CB 3.93Å; W479-Q548 HydrophobicContact CZ3-CG 3.86Å; Q548-V550 PolarHBondContact O-N 3.13Å; Q548-V561 WeakPolarHBondContact O-CA 3.39Å; Q548-L562 HydrophobicContact CB-CB 4.48Å; Q548-L562 PolarHBondContact N-O 3.47Å; Q548-L562 PolarHBondContact O-N 2.94Å
549	P	95	Very high	90.8	Very high	25 Å²	25	77.3 Å²	77.3	16%	0.162	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	127.9	168.2	29.9	-31.2	0	0	0	108.8	L478 W479 A482 L559	L478-P549 HydrophobicContact CB-CB 4.24Å; L478-P549 HydrophobicContact CB-CG 4.39Å; W479-P549 HydrophobicContact CD2-CG 3.84Å; W479-P549 VanDerWaalsContact CE3-CD 3.41Å; W479-P549 HydrophobicContact CE3-CG 4.23Å; W479-P549 HydrophobicContact CG-CG 4.12Å; W479-P549 HydrophobicContact CZ2-CG 4.31Å; A482-P549 HydrophobicContact CB-CB 4.22Å; A482-P549 HydrophobicContact CB-CG 4.43Å; P549-L559 HydrophobicContact CB-CD1 4.45Å
550	V	93	Very high	90.7	Very high	26 Å²	26	74.5 Å²	74.5	16%	0.158	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-70.6	132.7	174.1	178.7	0	0	0	0	108.4	Q548 L554 L560 L562 F584	Q548-V550 PolarHBondContact O-N 3.13Å; V550-L554 HydrophobicContact CG1-CB 3.91Å; V550-L554 HydrophobicContact CG1-CD1 4.43Å; V550-L560 HydrophobicContact CB-CB 3.91Å; V550-L560 HydrophobicContact CG2-CB 3.87Å; V550-L560 PolarHBondContact N-O 3.3Å; V550-L562 HydrophobicContact CG2-CB 4.18Å; V550-F584 HydrophobicContact CG2-CD1 4.11Å; V550-F584 HydrophobicContact CG2-CE1 3.99Å
551	H	87.8	Confident	90.8	Very high	135 Å²	135	73.7 Å²	73.7	63%	0.625	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-61.2	139.2	-177.8	-173.7	-106.9	0	0	0	112.1	S553 L554 S555	H551-S553 WeakPolarHBondContact ND1-CB 3.12Å; H551-S553 PolarHBondContact ND1-N 3.42Å; H551-S553 PolarHBondContact ND1-OG 2.82Å; H551-S553 PolarHBondContact O-N 3.38Å; H551-L554 PolarHBondContact O-N 2.85Å; H551-S555 PolarHBondContact O-N 2.77Å
552	K	84.4	Confident	90.9	Very high	123 Å²	123	71.7 Å²	71.7	54%	0.535	38%	0.383	S	S	.	.	H	α-helix	trans	-57.5	-25.2	-172.8	-66.7	174.2	-178.2	165.9	0	114.1	L554 G556	K552-L554 PolarHBondContact O-N 3.09Å; K552-G556 VanDerWaalsContact O-CA 3.3Å; K552-G556 WeakPolarHBondContact O-CA 3.5Å; K552-G556 PolarHBondContact O-N 2.79Å
553	S	82.3	Confident	91	Very high	94 Å²	94	68.7 Å²	68.7	66%	0.657	37%	0.367	S	S	*	.	H	α-helix	trans	-66.3	-13.5	173.2	69	0	0	0	0	114.4	H551	H551-S553 WeakPolarHBondContact ND1-CB 3.12Å; H551-S553 PolarHBondContact ND1-N 3.42Å; H551-S553 PolarHBondContact ND1-OG 2.82Å; H551-S553 PolarHBondContact O-N 3.38Å
554	L	84.7	Confident	91.2	Very high	141 Å²	141	66.1 Å²	66.1	74%	0.738	36%	0.357	S	S	*	.	H	α-helix	trans	-111.8	-31.7	177.9	-58.6	177.3	0	0	0	112.2	V550 H551 K552	V550-L554 HydrophobicContact CG1-CB 3.91Å; V550-L554 HydrophobicContact CG1-CD1 4.43Å; H551-L554 PolarHBondContact O-N 2.85Å; K552-L554 PolarHBondContact O-N 3.09Å
555	S	83.3	Confident	91.3	Very high	16 Å²	16	63 Å²	63	11%	0.112	34%	0.335	C	S	.	.	H	α-helix	trans	-96.3	-13.3	-179.1	69.1	0	0	0	0	114.7	H551 R558	H551-S555 PolarHBondContact O-N 2.77Å; S555-R558 WeakPolarHBondContact CB-O 3.5Å; S555-R558 PolarHBondContact O-N 2.87Å; S555-R558 PolarHBondContact OG-O 3.36Å
556	G	84.1	Confident	91.3	Very high	38 Å²	38	63.7 Å²	63.7	39%	0.392	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-144	-167.8	0	0	0	0	0	111.3	K552 R558	K552-G556 VanDerWaalsContact O-CA 3.3Å; K552-G556 WeakPolarHBondContact O-CA 3.5Å; K552-G556 PolarHBondContact O-N 2.79Å; G556-R558 PolarHBondContact O-N 3.1Å
557	D	83.7	Confident	91.4	Very high	178 Å²	178	61.1 Å²	61.1	95%	0.952	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-7.3	177.8	-53.3	-51.2	0	0	0	113.7
558	R	85.9	Confident	91.4	Very high	164 Å²	164	61.9 Å²	61.9	62%	0.619	32%	0.321	S	S	*	.	S	Bend	trans	-82.8	134.6	178.2	-63	-175	-178.7	-170	-0	110.2	S555 G556 L560	S555-R558 WeakPolarHBondContact CB-O 3.5Å; S555-R558 PolarHBondContact O-N 2.87Å; S555-R558 PolarHBondContact OG-O 3.36Å; G556-R558 PolarHBondContact O-N 3.1Å; R558-L560 PolarHBondContact O-N 2.79Å
559	L	88.3	Confident	91.5	Very high	46 Å²	46	57.7 Å²	57.7	24%	0.241	30%	0.302	C	S	.	.			trans	-74.3	110.9	163.9	-178.1	51.7	0	0	0	109.2	L478 T481 P549 V561 W592	L478-L559 HydrophobicContact CD2-CD1 3.55Å; L478-L559 HydrophobicContact CD2-CD2 4.09Å; L478-L559 HydrophobicContact CD2-CG 4.41Å; T481-L559 HydrophobicContact CG2-CD2 3.83Å; P549-L559 HydrophobicContact CB-CD1 4.45Å; L559-V561 HydrophobicContact CD1-CG2 4.43Å; L559-V561 HydrophobicContact CG-CG2 4.37Å; L559-W592 HydrophobicContact CD2-CH2 3.79Å; L559-W592 HydrophobicContact CD2-CZ2 4.41Å; L559-W592 HydrophobicContact CG-CH2 3.91Å
560	L	94.3	Very high	91.5	Very high	32 Å²	32	61.9 Å²	61.9	17%	0.168	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138	167	-66.4	179.4	0	0	0	109.1	V550 R558 L585	V550-L560 HydrophobicContact CB-CB 3.91Å; V550-L560 HydrophobicContact CG2-CB 3.87Å; V550-L560 PolarHBondContact N-O 3.3Å; R558-L560 PolarHBondContact O-N 2.79Å; L560-L585 WeakPolarHBondContact CA-O 3.4Å
561	V	96.3	Very high	91.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.4	177.1	-179.6	0	0	0	0	108.7	A482 A485 C547 Q548 L559 V563 L585 W592	A482-V561 HydrophobicContact CB-CG1 3.78Å; A482-V561 HydrophobicContact CB-CG2 4Å; A485-V561 HydrophobicContact CB-CG2 4.48Å; C547-V561 HydrophobicContact CB-CG1 4.48Å; Q548-V561 WeakPolarHBondContact O-CA 3.39Å; L559-V561 HydrophobicContact CD1-CG2 4.43Å; L559-V561 HydrophobicContact CG-CG2 4.37Å; V561-V563 HydrophobicContact CG1-CG2 3.82Å; V561-L585 HydrophobicContact CB-CB 4.34Å; V561-L585 PolarHBondContact N-O 3.41Å; V561-L585 PolarHBondContact O-N 3.32Å; V561-W592 HydrophobicContact CG2-CH2 3.79Å; V561-W592 HydrophobicContact CG2-CZ3 3.8Å
562	L	97.4	Very high	91.8	Very high	34 Å²	34	60.1 Å²	60.1	18%	0.178	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.4	168.3	176.7	64.3	0	0	0	108.2	C547 Q548 V550 T582 F583 F584	C547-L562 CarbonylContact C-O 3.53Å; C547-L562 WeakPolarHBondContact CA-O 3.39Å; Q548-L562 HydrophobicContact CB-CB 4.48Å; Q548-L562 PolarHBondContact N-O 3.47Å; Q548-L562 PolarHBondContact O-N 2.94Å; V550-L562 HydrophobicContact CG2-CB 4.18Å; L562-T582 HydrophobicContact CD1-CG2 3.51Å; L562-F583 WeakPolarHBondContact CA-O 3.28Å; L562-F584 HydrophobicContact CB-CE1 4.49Å; L562-F584 HydrophobicContact CD1-CD1 4.47Å; L562-F584 HydrophobicContact CD1-CE1 4.03Å; L562-F584 HydrophobicContact CD1-CE2 4.07Å; L562-F584 HydrophobicContact CD1-CZ 3.82Å
563	V	98	Very high	92.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.2	176.4	-177.1	0	0	0	0	108.6	L545 S546 V561 V565 T582 F583 L585	L545-V563 HydrophobicContact CD1-CG1 3.45Å; L545-V563 VanDerWaalsContact CD1-CG1 3.45Å; S546-V563 CarbonylContact O-C 3.58Å; S546-V563 WeakPolarHBondContact O-CA 3.35Å; V561-V563 HydrophobicContact CG1-CG2 3.82Å; V563-V565 HydrophobicContact CG1-CG2 4.13Å; V563-T582 CarbonylContact O-C 3.59Å; V563-T582 WeakPolarHBondContact O-CA 3.22Å; V563-F583 HydrophobicContact CB-CB 4.34Å; V563-F583 HydrophobicContact CB-CD2 4.35Å; V563-F583 HydrophobicContact CG1-CD2 4.41Å; V563-F583 PolarHBondContact N-O 3.06Å; V563-F583 PolarHBondContact O-N 3.2Å; V563-L585 HydrophobicContact CG2-CD1 3.65Å; V563-L585 HydrophobicContact CG2-CG 3.98Å
564	N	97.8	Very high	92.6	Very high	49 Å²	49	63 Å²	63	26%	0.262	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.1	174.2	-67.9	-41.1	0	0	0	109.5	L545 S546 T582	L545-N564 WeakPolarHBondContact CA-O 3.39Å; S546-N564 PolarHBondContact N-O 3.06Å; S546-N564 PolarHBondContact O-N 3.48Å; N564-T582 WeakPolarHBondContact OD1-CB 3.37Å; N564-T582 WeakPolarHBondContact OD1-CG2 3.19Å; N564-T582 PolarHBondContact OD1-OG1 2.92Å
565	V	97.9	Very high	92.9	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.6	178.1	-168.3	0	0	0	0	109.3	Y494 L542 L545 V563 S580 E581 F583	Y494-V565 HydrophobicContact CE2-CG1 3.96Å; Y494-V565 HydrophobicContact CE2-CG2 4.2Å; L542-V565 HydrophobicContact CD1-CG1 4.11Å; L542-V565 HydrophobicContact CD2-CG1 3.69Å; L542-V565 HydrophobicContact CG-CG1 4.34Å; L545-V565 HydrophobicContact CD1-CG2 3.8Å; V563-V565 HydrophobicContact CG1-CG2 4.13Å; V565-S580 WeakPolarHBondContact O-CA 3.37Å; V565-S580 WeakPolarHBondContact O-CB 3.44Å; V565-S580 PolarHBondContact O-OG 3.32Å; V565-E581 WeakPolarHBondContact CB-O 3.3Å; V565-E581 PolarHBondContact N-O 2.77Å; V565-E581 PolarHBondContact O-N 3.41Å; V565-F583 HydrophobicContact CG2-CD2 4.21Å; V565-F583 HydrophobicContact CG2-CE2 3.76Å
566	F	97.3	Very high	93.5	Very high	75 Å²	75	63.6 Å²	63.6	33%	0.329	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.9	169.6	174.4	-94.7	0	0	0	109.1	H543 S544 I578 F579 I602	H543-F566 HydrophobicContact CB-CD1 4Å; H543-F566 HydrophobicContact CB-CE1 4.36Å; H543-F566 PolarHBondContact N-O 2.93Å; S544-F566 PolarHBondContact N-O 2.94Å; S544-F566 PolarHBondContact O-N 2.66Å; F566-I578 HydrophobicContact CD2-CG2 4.18Å; F566-I578 HydrophobicContact CE1-CG2 4.45Å; F566-I578 HydrophobicContact CE2-CG2 3.31Å; F566-I578 HydrophobicContact CZ-CG2 3.48Å; F566-I578 VanDerWaalsContact CZ-CG2 3.48Å; F566-F579 WeakPolarHBondContact CA-O 3.27Å; F566-I602 HydrophobicContact CD2-CD1 4.06Å; F566-I602 HydrophobicContact CE2-CD1 3.79Å
567	G	96.6	Very high	93.9	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	-172	-172.9	0	0	0	0	0	113.5	T541 I578 F579	T541-G567 CarbonylContact O-C 3.51Å; T541-G567 VanDerWaalsContact O-CA 3.23Å; T541-G567 WeakPolarHBondContact O-CA 3.26Å; G567-I578 WeakPolarHBondContact O-CA 3.22Å; G567-F579 PolarHBondContact N-O 3Å; G567-F579 WeakPolarHBondContact O-CD1 3.39Å; G567-F579 PolarHBondContact O-N 2.84Å
568	T	96.9	Very high	94.6	Very high	32 Å²	32	59.3 Å²	59.3	20%	0.196	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.8	167.8	38.9	0	0	0	0	110.6	T541 H543 T576 H577 I578	T541-T568 PolarHBondContact N-O 3.43Å; T541-T568 PolarHBondContact O-N 3.17Å; H543-T568 PolarHBondContact CE1-OG1 3.44Å; H543-T568 WeakPolarHBondContact NE2-CG2 3.5Å; H543-T568 PolarHBondContact NE2-N 2.94Å; H543-T568 PolarHBondContact NE2-OG1 2.87Å; T568-T576 HydrophobicContact CG2-CG2 4.05Å; T568-H577 CarbonylContact C-O 3.59Å; T568-H577 VanDerWaalsContact CA-O 3.3Å; T568-H577 WeakPolarHBondContact CA-O 3.44Å; T568-I578 HydrophobicContact CG2-CG1 3.92Å
569	I	96.5	Very high	95.1	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.6	179.1	-174.3	166.9	0	0	0	109.4	F497 C540 F571 T576 H577 F579 F599 F601	F497-I569 HydrophobicContact CE1-CD1 4.19Å; C540-I569 VanDerWaalsContact SG-CD1 3.57Å; I569-F571 HydrophobicContact CD1-CD2 4.43Å; I569-F571 HydrophobicContact CD1-CE1 4.3Å; I569-F571 HydrophobicContact CD1-CE2 3.54Å; I569-F571 HydrophobicContact CD1-CZ 3.46Å; I569-F571 VanDerWaalsContact CD1-CZ 3.46Å; I569-F571 HydrophobicContact CG1-CD2 4.29Å; I569-F571 HydrophobicContact CG1-CE2 3.84Å; I569-F571 HydrophobicContact CG1-CZ 4.16Å; I569-F571 HydrophobicContact CG2-CE2 4.37Å; I569-T576 WeakPolarHBondContact O-CA 3.47Å; I569-H577 HydrophobicContact CG2-CB 4.48Å; I569-H577 PolarHBondContact N-O 3.06Å; I569-H577 PolarHBondContact O-N 3.46Å; I569-F579 HydrophobicContact CB-CD1 3.67Å; I569-F579 HydrophobicContact CB-CE1 3.92Å; I569-F579 HydrophobicContact CB-CG 4.44Å; I569-F579 HydrophobicContact CG2-CB 4.05Å; I569-F579 HydrophobicContact CG2-CD1 3.63Å; I569-F579 HydrophobicContact CG2-CE1 4.39Å; I569-F579 HydrophobicContact CG2-CG 4.04Å; I569-F599 HydrophobicContact CD1-CE2 4.37Å; I569-F599 HydrophobicContact CD1-CZ 4.35Å; I569-F599 HydrophobicContact CG2-CZ 4.28Å; I569-F601 HydrophobicContact CG2-CD1 4.27Å; I569-F601 HydrophobicContact CG2-CE1 3.8Å
570	K	95.9	Very high	95.6	Very high	113 Å²	113	51 Å²	51	49%	0.491	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116	175.4	-174.5	-174.5	177.4	-172.1	0	108.9	S538 T539 T576	S538-K570 CarbonylContact C-O 3.53Å; S538-K570 WeakPolarHBondContact CA-O 3.45Å; T539-K570 PolarHBondContact N-O 3.27Å; T539-K570 PolarHBondContact O-N 2.99Å; K570-T576 HydrophobicContact CB-CG2 4.45Å
571	F	95	Very high	95.7	Very high	16 Å²	16	49.6 Å²	49.6	7%	0.07	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	152.4	169.4	-72.2	-79.7	0	0	0	110.5	F497 W517 L535 P536 D537 I569 Q573 H574 F601	F497-F571 HydrophobicContact CE1-CE1 4.44Å; W517-F571 HydrophobicContact CH2-CZ 4.08Å; W517-F571 HydrophobicContact CZ2-CE2 4.44Å; W517-F571 AromaticContact CZ2-CZ 3.95Å; W517-F571 HydrophobicContact CZ2-CZ 3.95Å; L535-F571 HydrophobicContact CB-CE1 4.16Å; L535-F571 HydrophobicContact CD1-CE1 4.43Å; L535-F571 HydrophobicContact CD1-CZ 4.47Å; P536-F571 HydrophobicContact CB-CB 4.29Å; P536-F571 HydrophobicContact CB-CD1 4.22Å; P536-F571 HydrophobicContact CG-CB 4.47Å; P536-F571 HydrophobicContact CG-CD1 4.48Å; P536-F571 WeakPolarHBondContact O-CD1 3.5Å; D537-F571 CarbonylContact O-C 3.35Å; D537-F571 WeakPolarHBondContact O-CA 3.25Å; I569-F571 HydrophobicContact CD1-CD2 4.43Å; I569-F571 HydrophobicContact CD1-CE1 4.3Å; I569-F571 HydrophobicContact CD1-CE2 3.54Å; I569-F571 HydrophobicContact CD1-CZ 3.46Å; I569-F571 VanDerWaalsContact CD1-CZ 3.46Å; I569-F571 HydrophobicContact CG1-CD2 4.29Å; I569-F571 HydrophobicContact CG1-CE2 3.84Å; I569-F571 HydrophobicContact CG1-CZ 4.16Å; I569-F571 HydrophobicContact CG2-CE2 4.37Å; F571-Q573 PolarHBondContact O-N 3.01Å; F571-H574 HydrophobicContact CB-CB 4.04Å; F571-H574 PolarHBondContact O-N 3.05Å; F571-H574 VanDerWaalsContact O-N 3.15Å; F571-F601 HydrophobicContact CD2-CZ 4.37Å; F571-F601 AromaticContact CE2-CE1 4Å; F571-F601 HydrophobicContact CE2-CE1 4Å; F571-F601 AromaticContact CE2-CZ 3.8Å; F571-F601 HydrophobicContact CE2-CZ 3.8Å
572	E	92.2	Very high	95.8	Very high	107 Å²	107	51.3 Å²	51.3	50%	0.5	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	135.8	175.4	-153.3	-145.1	131.6	0	0	110.7	P536 D537 H574	P536-E572 HydrophobicContact CB-CB 4.21Å; D537-E572 PolarHBondContact O-N 2.73Å; E572-H574 PolarHBondContact O-N 3.14Å; E572-H574 PolarHBondContact O-ND1 2.98Å
573	Q	91	Very high	95.9	Very high	175 Å²	175	49.7 Å²	49.7	82%	0.818	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	3.7	-179.4	-50.3	174.8	30.4	0	0	116	F571	F571-Q573 PolarHBondContact O-N 3.01Å
574	H	91.3	Very high	95.8	Very high	103 Å²	103	53.4 Å²	53.4	48%	0.477	27%	0.271	S	S	.	.	S	Bend	trans	-110.9	160.3	179.7	-68.6	77.1	0	0	0	111.9	F571 E572	F571-H574 HydrophobicContact CB-CB 4.04Å; F571-H574 PolarHBondContact O-N 3.05Å; F571-H574 VanDerWaalsContact O-N 3.15Å; E572-H574 PolarHBondContact O-N 3.14Å; E572-H574 PolarHBondContact O-ND1 2.98Å
575	P	92.3	Very high	95.8	Very high	87 Å²	87	51.1 Å²	51.1	57%	0.565	26%	0.258	S	S	*	.			trans	-64.9	162.4	168.5	28.8	-35	0	0	0	111.7
576	T	94.5	Very high	95.6	Very high	83 Å²	83	51.3 Å²	51.3	51%	0.509	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.6	169.3	-53.2	0	0	0	0	109.2	T568 I569 K570	T568-T576 HydrophobicContact CG2-CG2 4.05Å; I569-T576 WeakPolarHBondContact O-CA 3.47Å; K570-T576 HydrophobicContact CB-CG2 4.45Å
577	H	94	Very high	95.3	Very high	57 Å²	57	52.5 Å²	52.5	26%	0.264	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	153.4	171	-72.2	-94.8	0	0	0	110.6	T568 I569 F601	T568-H577 CarbonylContact C-O 3.59Å; T568-H577 VanDerWaalsContact CA-O 3.3Å; T568-H577 WeakPolarHBondContact CA-O 3.44Å; I569-H577 HydrophobicContact CG2-CB 4.48Å; I569-H577 PolarHBondContact N-O 3.06Å; I569-H577 PolarHBondContact O-N 3.46Å; H577-F601 HydrophobicContact CB-CD1 3.72Å; H577-F601 HydrophobicContact CB-CE1 4.12Å; H577-F601 HydrophobicContact CB-CG 4.42Å
578	I	96.8	Very high	94.8	Very high	68 Å²	68	55.8 Å²	55.8	35%	0.349	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	146.1	161.3	-61.8	175.6	0	0	0	107.4	F566 G567 T568 F601 I602	F566-I578 HydrophobicContact CD2-CG2 4.18Å; F566-I578 HydrophobicContact CE1-CG2 4.45Å; F566-I578 HydrophobicContact CE2-CG2 3.31Å; F566-I578 HydrophobicContact CZ-CG2 3.48Å; F566-I578 VanDerWaalsContact CZ-CG2 3.48Å; G567-I578 WeakPolarHBondContact O-CA 3.22Å; T568-I578 HydrophobicContact CG2-CG1 3.92Å; I578-F601 WeakPolarHBondContact O-CA 3.23Å; I578-I602 HydrophobicContact CB-CB 4.16Å; I578-I602 HydrophobicContact CG2-CB 3.99Å; I578-I602 HydrophobicContact CG2-CD1 4.19Å; I578-I602 HydrophobicContact CG2-CG2 4.46Å; I578-I602 PolarHBondContact O-N 2.63Å
579	F	97.3	Very high	94	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157.7	174.7	79.7	-79.6	0	0	0	111.9	Y494 L542 F566 G567 I569 E581 F599 R600 F601	Y494-F579 AromaticContact CE1-CE2 3.93Å; Y494-F579 HydrophobicContact CE1-CE2 3.93Å; Y494-F579 AromaticContact CE1-CZ 3.82Å; Y494-F579 HydrophobicContact CE1-CZ 3.82Å; L542-F579 HydrophobicContact CD2-CZ 4.05Å; F566-F579 WeakPolarHBondContact CA-O 3.27Å; G567-F579 PolarHBondContact N-O 3Å; G567-F579 WeakPolarHBondContact O-CD1 3.39Å; G567-F579 PolarHBondContact O-N 2.84Å; I569-F579 HydrophobicContact CB-CD1 3.67Å; I569-F579 HydrophobicContact CB-CE1 3.92Å; I569-F579 HydrophobicContact CB-CG 4.44Å; I569-F579 HydrophobicContact CG2-CB 4.05Å; I569-F579 HydrophobicContact CG2-CD1 3.63Å; I569-F579 HydrophobicContact CG2-CE1 4.39Å; I569-F579 HydrophobicContact CG2-CG 4.04Å; F579-E581 HydrophobicContact CD2-CB 4.09Å; F579-E581 HydrophobicContact CE2-CB 3.95Å; F579-F599 HydrophobicContact CB-CE1 4.46Å; F579-F599 HydrophobicContact CB-CE2 3.91Å; F579-F599 HydrophobicContact CB-CZ 3.7Å; F579-F599 AromaticContact CD2-CD2 3.91Å; F579-F599 HydrophobicContact CD2-CD2 3.91Å; F579-F599 AromaticContact CD2-CE2 3.33Å; F579-F599 HydrophobicContact CD2-CE2 3.33Å; F579-F599 HydrophobicContact CD2-CZ 4.05Å; F579-F599 HydrophobicContact CE2-CD2 4.49Å; F579-F599 HydrophobicContact CE2-CE2 4.01Å; F579-F599 AromaticContact CG-CE2 3.76Å; F579-F599 HydrophobicContact CG-CE2 3.76Å; F579-F599 HydrophobicContact CG-CZ 4.02Å; F579-R600 CarbonylContact C-O 3.54Å; F579-R600 VanDerWaalsContact CA-O 3.3Å; F579-R600 WeakPolarHBondContact CA-O 3.44Å; F579-F601 HydrophobicContact CB-CD1 4.4Å
580	S	97.7	Very high	93.4	Very high	36 Å²	36	66.3 Å²	66.3	25%	0.252	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.9	160.1	-172.6	0	0	0	0	109.9	V565 R600	V565-S580 WeakPolarHBondContact O-CA 3.37Å; V565-S580 WeakPolarHBondContact O-CB 3.44Å; V565-S580 PolarHBondContact O-OG 3.32Å; S580-R600 PolarHBondContact N-O 2.78Å; S580-R600 PolarHBondContact O-N 2.79Å
581	E	97.9	Very high	93	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.009	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124	177.3	-164.5	174.7	-173.6	0	0	109.3	Y493 Y494 V565 F579 F583 V597 T598 F599	Y493-E581 PolarHBondContact OH-OE1 3.14Å; Y494-E581 VanDerWaalsContact CE1-OE2 3.26Å; Y494-E581 WeakPolarHBondContact CE1-OE2 3.36Å; Y494-E581 VanDerWaalsContact CZ-OE2 3.32Å; Y494-E581 WeakPolarHBondContact OH-CB 3.12Å; Y494-E581 PolarHBondContact OH-OE2 2.93Å; V565-E581 WeakPolarHBondContact CB-O 3.3Å; V565-E581 PolarHBondContact N-O 2.77Å; V565-E581 PolarHBondContact O-N 3.41Å; F579-E581 HydrophobicContact CD2-CB 4.09Å; F579-E581 HydrophobicContact CE2-CB 3.95Å; E581-F583 HydrophobicContact CB-CE2 4.11Å; E581-F583 HydrophobicContact CB-CZ 4.26Å; E581-F583 HydrophobicContact CG-CE1 4.07Å; E581-F583 HydrophobicContact CG-CE2 3.77Å; E581-F583 HydrophobicContact CG-CZ 3.51Å; E581-F583 WeakPolarHBondContact OE1-CE1 3.29Å; E581-F583 WeakPolarHBondContact OE1-CZ 3.16Å; E581-V597 HydrophobicContact CG-CG2 3.74Å; E581-V597 WeakPolarHBondContact OE1-CG2 3.43Å; E581-T598 CarbonylContact C-O 3.57Å; E581-T598 VanDerWaalsContact CA-O 3.3Å; E581-T598 WeakPolarHBondContact CA-O 3.22Å; E581-F599 HydrophobicContact CB-CD2 4.06Å; E581-F599 HydrophobicContact CG-CB 4.12Å; E581-F599 HydrophobicContact CG-CD2 3.98Å
582	T	98.3	Very high	92.9	Very high	36 Å²	36	67.8 Å²	67.8	22%	0.221	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.9	-178.9	-67.5	0	0	0	0	109.3	L562 V563 N564 V597 T598	L562-T582 HydrophobicContact CD1-CG2 3.51Å; V563-T582 CarbonylContact O-C 3.59Å; V563-T582 WeakPolarHBondContact O-CA 3.22Å; N564-T582 WeakPolarHBondContact OD1-CB 3.37Å; N564-T582 WeakPolarHBondContact OD1-CG2 3.19Å; N564-T582 PolarHBondContact OD1-OG1 2.92Å; T582-V597 CarbonylContact O-C 3.52Å; T582-V597 VanDerWaalsContact O-CA 3.28Å; T582-V597 WeakPolarHBondContact O-CA 3.49Å; T582-T598 PolarHBondContact N-O 3.03Å; T582-T598 PolarHBondContact O-N 2.78Å
583	F	98.1	Very high	93	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.1	176.7	-49.6	-96.7	0	0	0	111	F489 Y493 Y494 L562 V563 V565 E581 L585 V594 S596 V597	F489-F583 AromaticContact CE1-CD1 3.88Å; F489-F583 HydrophobicContact CE1-CD1 3.88Å; F489-F583 HydrophobicContact CE1-CD2 4.22Å; F489-F583 AromaticContact CE1-CE1 3.92Å; F489-F583 HydrophobicContact CE1-CE1 3.92Å; F489-F583 HydrophobicContact CE1-CE2 4.27Å; F489-F583 HydrophobicContact CE1-CG 4.03Å; F489-F583 HydrophobicContact CE1-CZ 4.1Å; F489-F583 HydrophobicContact CZ-CD1 4.06Å; F489-F583 HydrophobicContact CZ-CE1 4.13Å; Y493-F583 HydrophobicContact CD1-CE1 4.13Å; Y493-F583 AromaticContact CD1-CZ 3.74Å; Y493-F583 HydrophobicContact CD1-CZ 3.74Å; Y493-F583 AromaticContact CE1-CE1 3.66Å; Y493-F583 HydrophobicContact CE1-CE1 3.66Å; Y493-F583 AromaticContact CE1-CZ 3.39Å; Y493-F583 HydrophobicContact CE1-CZ 3.39Å; Y493-F583 HydrophobicContact CE2-CE1 4.19Å; Y493-F583 AromaticContact CZ-CE1 3.65Å; Y493-F583 AromaticContact CZ-CZ 3.91Å; Y494-F583 WeakPolarHBondContact OH-CE2 3.07Å; L562-F583 WeakPolarHBondContact CA-O 3.28Å; V563-F583 HydrophobicContact CB-CB 4.34Å; V563-F583 HydrophobicContact CB-CD2 4.35Å; V563-F583 HydrophobicContact CG1-CD2 4.41Å; V563-F583 PolarHBondContact N-O 3.06Å; V563-F583 PolarHBondContact O-N 3.2Å; V565-F583 HydrophobicContact CG2-CD2 4.21Å; V565-F583 HydrophobicContact CG2-CE2 3.76Å; E581-F583 HydrophobicContact CB-CE2 4.11Å; E581-F583 HydrophobicContact CB-CZ 4.26Å; E581-F583 HydrophobicContact CG-CE1 4.07Å; E581-F583 HydrophobicContact CG-CE2 3.77Å; E581-F583 HydrophobicContact CG-CZ 3.51Å; E581-F583 WeakPolarHBondContact OE1-CE1 3.29Å; E581-F583 WeakPolarHBondContact OE1-CZ 3.16Å; F583-L585 HydrophobicContact CB-CD2 3.92Å; F583-L585 HydrophobicContact CB-CG 4.37Å; F583-V594 HydrophobicContact CD1-CG1 4.21Å; F583-V594 HydrophobicContact CD1-CG2 3.7Å; F583-V594 HydrophobicContact CE1-CG2 4.35Å; F583-S596 WeakPolarHBondContact CA-O 3.33Å; F583-V597 HydrophobicContact CD1-CB 3.85Å; F583-V597 HydrophobicContact CD1-CG2 3.6Å; F583-V597 HydrophobicContact CE1-CB 4.27Å; F583-V597 HydrophobicContact CE1-CG2 3.61Å; F583-V597 HydrophobicContact CG-CG2 4.38Å; F583-V597 HydrophobicContact CZ-CG2 4.38Å
584	F	97	Very high	93.3	Very high	79 Å²	79	56.5 Å²	56.5	35%	0.346	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	107.8	155.7	-73.9	-89.7	0	0	0	108.2	V550 L562 Q595 S596	V550-F584 HydrophobicContact CG2-CD1 4.11Å; V550-F584 HydrophobicContact CG2-CE1 3.99Å; L562-F584 HydrophobicContact CB-CE1 4.49Å; L562-F584 HydrophobicContact CD1-CD1 4.47Å; L562-F584 HydrophobicContact CD1-CE1 4.03Å; L562-F584 HydrophobicContact CD1-CE2 4.07Å; L562-F584 HydrophobicContact CD1-CZ 3.82Å; F584-Q595 PolarHBondContact O-N 3.27Å; F584-S596 PolarHBondContact N-O 3.24Å
585	L	96.7	Very high	93.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	141.8	174.2	-52.6	-177	0	0	0	110.4	F489 L560 V561 V563 F583 W592 R593 V594	F489-L585 HydrophobicContact CB-CD1 3.67Å; F489-L585 HydrophobicContact CD1-CD1 3.87Å; F489-L585 HydrophobicContact CD1-CD2 3.91Å; F489-L585 HydrophobicContact CD1-CG 4.49Å; F489-L585 HydrophobicContact CD2-CD1 4.06Å; F489-L585 HydrophobicContact CD2-CD2 3.76Å; F489-L585 HydrophobicContact CE1-CD2 3.87Å; F489-L585 HydrophobicContact CE2-CD2 3.69Å; F489-L585 HydrophobicContact CG-CD1 3.56Å; F489-L585 HydrophobicContact CG-CD2 3.88Å; F489-L585 HydrophobicContact CG-CG 4.39Å; F489-L585 HydrophobicContact CZ-CD2 3.78Å; L560-L585 WeakPolarHBondContact CA-O 3.4Å; V561-L585 HydrophobicContact CB-CB 4.34Å; V561-L585 PolarHBondContact N-O 3.41Å; V561-L585 PolarHBondContact O-N 3.32Å; V563-L585 HydrophobicContact CG2-CD1 3.65Å; V563-L585 HydrophobicContact CG2-CG 3.98Å; F583-L585 HydrophobicContact CB-CD2 3.92Å; F583-L585 HydrophobicContact CB-CG 4.37Å; L585-W592 HydrophobicContact CB-CE3 3.92Å; L585-R593 CarbonylContact C-O 3.55Å; L585-R593 WeakPolarHBondContact CA-O 3.23Å; L585-V594 HydrophobicContact CD2-CG2 3.78Å
586	T	94.4	Very high	93.8	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.037	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156.3	168	-168.1	0	0	0	0	108.9	M510 R593 Q595	M510-T586 HydrophobicContact CE-CG2 4.15Å; M510-T586 HydrophobicContact CG-CG2 3.82Å; M510-T586 HydrophobicContact SD-CG2 3.66Å; T586-R593 PolarHBondContact N-O 3.3Å; T586-R593 PolarHBondContact O-N 2.95Å; T586-Q595 HydrophobicContact CG2-CB 4.21Å
587	Q	90.2	Very high	93.9	Very high	100 Å²	100	47.3 Å²	47.3	47%	0.467	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	123.9	173.7	-175.7	174.1	-16.2	0	0	110.6	S589 L591 W592	Q587-S589 WeakPolarHBondContact CG-O 3.46Å; Q587-S589 PolarHBondContact NE2-O 2.8Å; Q587-L591 WeakPolarHBondContact CA-O 3.46Å; Q587-W592 HydrophobicContact CB-CE3 4.36Å; Q587-W592 HydrophobicContact CB-CH2 4.39Å; Q587-W592 HydrophobicContact CB-CZ3 4.2Å
588	E	85.8	Confident	94.1	Very high	69 Å²	69	47.1 Å²	47.1	32%	0.322	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.7	165.9	-169.6	178.3	-93.6	0	0	109.1	M510 N590 L591 R593	M510-E588 HydrophobicContact CE-CB 4.4Å; M510-E588 VanDerWaalsContact CE-OE1 3.23Å; M510-E588 WeakPolarHBondContact CE-OE1 3.46Å; M510-E588 HydrophobicContact SD-CB 4.07Å; E588-N590 PolarHBondContact O-N 3.29Å; E588-L591 PolarHBondContact N-O 2.74Å; E588-L591 PolarHBondContact O-N 3.43Å; E588-R593 IonicContact OE2-CZ 3.21Å; E588-R593 IonicContact OE2-NE 2.72Å; E588-R593 IonicContact OE2-NH1 2.98Å; E588-R593 PolarHBondContact OE2-NH1 3.14Å; E588-R593 IonicContact OE2-NH2 2.82Å; E588-R593 PolarHBondContact OE2-NH2 2.98Å
589	S	81.2	Confident	94.2	Very high	104 Å²	104	44 Å²	44	73%	0.727	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	-103.2	-166.6	-56.3	0	0	0	0	111.9	Q587	Q587-S589 WeakPolarHBondContact CG-O 3.46Å; Q587-S589 PolarHBondContact NE2-O 2.8Å
590	N	83.2	Confident	94.2	Very high	151 Å²	151	51.4 Å²	51.4	81%	0.807	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	13.6	-178.8	-64.5	-13.3	0	0	0	112.6	E588	E588-N590 PolarHBondContact O-N 3.29Å
591	L	88	Confident	94	Very high	102 Å²	102	52.4 Å²	52.4	53%	0.534	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.3	-175.4	-62.5	176.6	0	0	0	111.1	Q587 E588	Q587-L591 WeakPolarHBondContact CA-O 3.46Å; E588-L591 PolarHBondContact N-O 2.74Å; E588-L591 PolarHBondContact O-N 3.43Å
592	W	93.5	Very high	93.7	Very high	59 Å²	59	55.6 Å²	55.6	22%	0.223	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.3	168.6	-70.1	103.5	0	0	0	109.9	T481 A485 L559 V561 L585 Q587	T481-W592 HydrophobicContact CG2-CZ2 4.09Å; A485-W592 HydrophobicContact CB-CD2 3.77Å; A485-W592 HydrophobicContact CB-CE3 4.39Å; A485-W592 HydrophobicContact CB-CG 4.13Å; A485-W592 HydrophobicContact CB-CH2 4.28Å; A485-W592 HydrophobicContact CB-CZ2 3.65Å; L559-W592 HydrophobicContact CD2-CH2 3.79Å; L559-W592 HydrophobicContact CD2-CZ2 4.41Å; L559-W592 HydrophobicContact CG-CH2 3.91Å; V561-W592 HydrophobicContact CG2-CH2 3.79Å; V561-W592 HydrophobicContact CG2-CZ3 3.8Å; L585-W592 HydrophobicContact CB-CE3 3.92Å; Q587-W592 HydrophobicContact CB-CE3 4.36Å; Q587-W592 HydrophobicContact CB-CH2 4.39Å; Q587-W592 HydrophobicContact CB-CZ3 4.2Å
593	R	94.4	Very high	92.8	Very high	44 Å²	44	63.8 Å²	63.8	17%	0.166	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.9	177.4	-68.7	-162	-172.5	155.5	23.1	111.9	G507 F508 M510 L585 T586 E588 Q595	G507-R593 PolarHBondContact O-NE 3.45Å; F508-R593 CarbonylContact O-C 3.53Å; F508-R593 VanDerWaalsContact O-CA 3.26Å; F508-R593 WeakPolarHBondContact O-CA 3.41Å; M510-R593 HydrophobicContact CG-CB 4.02Å; M510-R593 HydrophobicContact SD-CB 3.62Å; M510-R593 HydrophobicContact SD-CG 4.39Å; L585-R593 CarbonylContact C-O 3.55Å; L585-R593 WeakPolarHBondContact CA-O 3.23Å; T586-R593 PolarHBondContact N-O 3.3Å; T586-R593 PolarHBondContact O-N 2.95Å; E588-R593 IonicContact OE2-CZ 3.21Å; E588-R593 IonicContact OE2-NE 2.72Å; E588-R593 IonicContact OE2-NH1 2.98Å; E588-R593 PolarHBondContact OE2-NH1 3.14Å; E588-R593 IonicContact OE2-NH2 2.82Å; E588-R593 PolarHBondContact OE2-NH2 2.98Å; R593-Q595 PolarHBondContact O-N 2.85Å
594	V	97.4	Very high	92.5	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	119	178	178.7	0	0	0	0	109.9	F489 F508 F509 M510 V513 F583 L585 S596 V597	F489-V594 HydrophobicContact CE1-CG2 4.27Å; F489-V594 HydrophobicContact CE2-CG2 3.63Å; F489-V594 HydrophobicContact CZ-CG2 3.29Å; F508-V594 PolarHBondContact O-N 2.99Å; F509-V594 HydrophobicContact CD1-CB 3.7Å; F509-V594 HydrophobicContact CD1-CG1 4.03Å; F509-V594 HydrophobicContact CD1-CG2 4.18Å; F509-V594 HydrophobicContact CE1-CB 4.04Å; F509-V594 HydrophobicContact CE1-CG1 4.13Å; F509-V594 HydrophobicContact CE1-CG2 4.14Å; M510-V594 WeakPolarHBondContact CB-O 3.38Å; M510-V594 WeakPolarHBondContact CG-O 3.45Å; M510-V594 PolarHBondContact N-O 3.46Å; V513-V594 HydrophobicContact CG2-CG1 4.03Å; F583-V594 HydrophobicContact CD1-CG1 4.21Å; F583-V594 HydrophobicContact CD1-CG2 3.7Å; F583-V594 HydrophobicContact CE1-CG2 4.35Å; L585-V594 HydrophobicContact CD2-CG2 3.78Å; V594-S596 WeakPolarHBondContact CG1-O 3.42Å; V594-V597 HydrophobicContact CG1-CB 3.72Å; V594-V597 HydrophobicContact CG1-CG1 3.78Å
595	Q	95.5	Very high	92.3	Very high	42 Å²	42	66.4 Å²	66.4	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-34	169.4	-178.5	61.1	96.4	0	0	111.6	M510 N512 V513 V514 F584 T586 R593	M510-Q595 HydrophobicContact CG-CB 4.41Å; N512-Q595 PolarHBondContact ND2-NE2 2.98Å; N512-Q595 PolarHBondContact OD1-NE2 3.42Å; V513-Q595 WeakPolarHBondContact CA-O 3.36Å; V514-Q595 PolarHBondContact N-O 2.96Å; F584-Q595 PolarHBondContact O-N 3.27Å; T586-Q595 HydrophobicContact CG2-CB 4.21Å; R593-Q595 PolarHBondContact O-N 2.85Å
596	S	96.9	Very high	92	Very high	37 Å²	37	70.1 Å²	70.1	26%	0.259	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	143.4	176	-176.4	0	0	0	0	109.9	V514 F583 F584 V594	V514-S596 CarbonylContact O-C 3.57Å; V514-S596 WeakPolarHBondContact O-CA 3.23Å; F583-S596 WeakPolarHBondContact CA-O 3.33Å; F584-S596 PolarHBondContact N-O 3.24Å; V594-S596 WeakPolarHBondContact CG1-O 3.42Å
597	V	97.8	Very high	91.9	Very high	1 Å²	1	73.8 Å²	73.8	1%	0.006	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	136.6	177.1	49.9	0	0	0	0	111.3	F509 V513 V514 L515 L516 E581 T582 F583 V594	F509-V597 HydrophobicContact CE1-CG1 4.3Å; V513-V597 HydrophobicContact CG2-CG1 4.36Å; V514-V597 PolarHBondContact O-N 2.95Å; L515-V597 CarbonylContact C-O 3.54Å; L515-V597 WeakPolarHBondContact CA-O 3.43Å; L515-V597 HydrophobicContact CB-CG1 4.14Å; L515-V597 HydrophobicContact CD1-CG1 3.71Å; L515-V597 HydrophobicContact CD1-CG2 4.42Å; L516-V597 PolarHBondContact N-O 3.04Å; E581-V597 HydrophobicContact CG-CG2 3.74Å; E581-V597 WeakPolarHBondContact OE1-CG2 3.43Å; T582-V597 CarbonylContact O-C 3.52Å; T582-V597 VanDerWaalsContact O-CA 3.28Å; T582-V597 WeakPolarHBondContact O-CA 3.49Å; F583-V597 HydrophobicContact CD1-CB 3.85Å; F583-V597 HydrophobicContact CD1-CG2 3.6Å; F583-V597 HydrophobicContact CE1-CB 4.27Å; F583-V597 HydrophobicContact CE1-CG2 3.61Å; F583-V597 HydrophobicContact CG-CG2 4.38Å; F583-V597 HydrophobicContact CZ-CG2 4.38Å; V594-V597 HydrophobicContact CG1-CB 3.72Å; V594-V597 HydrophobicContact CG1-CG1 3.78Å
598	T	98.3	Very high	92	Very high	53 Å²	53	72.2 Å²	72.2	33%	0.325	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	120.1	173	-64.6	0	0	0	0	109.5	L516 E581 T582	L516-T598 HydrophobicContact CB-CG2 4.32Å; L516-T598 HydrophobicContact CD2-CG2 4.04Å; L516-T598 HydrophobicContact CG-CG2 4.47Å; L516-T598 WeakPolarHBondContact O-CA 3.43Å; E581-T598 CarbonylContact C-O 3.57Å; E581-T598 VanDerWaalsContact CA-O 3.3Å; E581-T598 WeakPolarHBondContact CA-O 3.22Å; T582-T598 PolarHBondContact N-O 3.03Å; T582-T598 PolarHBondContact O-N 2.78Å
599	F	98	Very high	92.4	Very high	3 Å²	3	72.4 Å²	72.4	1%	0.013	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.2	175.8	178.7	-81	0	0	0	109.9	L516 W517 N518 I569 F579 E581 F601	L516-F599 PolarHBondContact O-N 2.91Å; W517-F599 HydrophobicContact CD2-CB 4.11Å; W517-F599 AromaticContact CD2-CD1 3.65Å; W517-F599 HydrophobicContact CD2-CD1 3.65Å; W517-F599 HydrophobicContact CD2-CE1 4.31Å; W517-F599 AromaticContact CD2-CG 3.96Å; W517-F599 HydrophobicContact CD2-CG 3.96Å; W517-F599 AromaticContact CE2-CD1 3.7Å; W517-F599 AromaticContact CE2-CE1 3.89Å; W517-F599 HydrophobicContact CE3-CB 3.48Å; W517-F599 VanDerWaalsContact CE3-CB 3.48Å; W517-F599 AromaticContact CE3-CD1 3.64Å; W517-F599 HydrophobicContact CE3-CD1 3.64Å; W517-F599 HydrophobicContact CE3-CD2 4.04Å; W517-F599 HydrophobicContact CE3-CE1 4.4Å; W517-F599 AromaticContact CE3-CG 3.44Å; W517-F599 HydrophobicContact CE3-CG 3.44Å; W517-F599 VanDerWaalsContact CE3-CG 3.44Å; W517-F599 HydrophobicContact CG-CD1 4.37Å; W517-F599 AromaticContact CH2-CD1 3.72Å; W517-F599 HydrophobicContact CH2-CD1 3.72Å; W517-F599 AromaticContact CH2-CD2 3.77Å; W517-F599 HydrophobicContact CH2-CD2 3.77Å; W517-F599 AromaticContact CH2-CE1 3.65Å; W517-F599 HydrophobicContact CH2-CE1 3.65Å; W517-F599 AromaticContact CH2-CE2 3.66Å; W517-F599 HydrophobicContact CH2-CE2 3.66Å; W517-F599 AromaticContact CH2-CG 3.8Å; W517-F599 HydrophobicContact CH2-CG 3.8Å; W517-F599 AromaticContact CH2-CZ 3.62Å; W517-F599 HydrophobicContact CH2-CZ 3.62Å; W517-F599 AromaticContact CZ2-CD1 3.75Å; W517-F599 HydrophobicContact CZ2-CD1 3.75Å; W517-F599 AromaticContact CZ2-CE1 3.55Å; W517-F599 HydrophobicContact CZ2-CE1 3.55Å; W517-F599 HydrophobicContact CZ2-CE2 4.4Å; W517-F599 HydrophobicContact CZ2-CG 4.3Å; W517-F599 AromaticContact CZ2-CZ 3.9Å; W517-F599 HydrophobicContact CZ2-CZ 3.9Å; W517-F599 HydrophobicContact CZ3-CB 3.82Å; W517-F599 AromaticContact CZ3-CD1 3.67Å; W517-F599 HydrophobicContact CZ3-CD1 3.67Å; W517-F599 AromaticContact CZ3-CD2 3.44Å; W517-F599 HydrophobicContact CZ3-CD2 3.44Å; W517-F599 VanDerWaalsContact CZ3-CD2 3.44Å; W517-F599 HydrophobicContact CZ3-CE1 4.09Å; W517-F599 AromaticContact CZ3-CE2 3.86Å; W517-F599 HydrophobicContact CZ3-CE2 3.86Å; W517-F599 AromaticContact CZ3-CG 3.35Å; W517-F599 HydrophobicContact CZ3-CG 3.35Å; W517-F599 HydrophobicContact CZ3-CZ 4.17Å; N518-F599 PolarHBondContact N-O 3.48Å; I569-F599 HydrophobicContact CD1-CE2 4.37Å; I569-F599 HydrophobicContact CD1-CZ 4.35Å; I569-F599 HydrophobicContact CG2-CZ 4.28Å; F579-F599 HydrophobicContact CB-CE1 4.46Å; F579-F599 HydrophobicContact CB-CE2 3.91Å; F579-F599 HydrophobicContact CB-CZ 3.7Å; F579-F599 AromaticContact CD2-CD2 3.91Å; F579-F599 HydrophobicContact CD2-CD2 3.91Å; F579-F599 AromaticContact CD2-CE2 3.33Å; F579-F599 HydrophobicContact CD2-CE2 3.33Å; F579-F599 HydrophobicContact CD2-CZ 4.05Å; F579-F599 HydrophobicContact CE2-CD2 4.49Å; F579-F599 HydrophobicContact CE2-CE2 4.01Å; F579-F599 AromaticContact CG-CE2 3.76Å; F579-F599 HydrophobicContact CG-CE2 3.76Å; F579-F599 HydrophobicContact CG-CZ 4.02Å; E581-F599 HydrophobicContact CB-CD2 4.06Å; E581-F599 HydrophobicContact CG-CB 4.12Å; E581-F599 HydrophobicContact CG-CD2 3.98Å; F599-F601 AromaticContact CE1-CD1 3.72Å; F599-F601 HydrophobicContact CE1-CD1 3.72Å; F599-F601 HydrophobicContact CE1-CD2 4.44Å; F599-F601 AromaticContact CE1-CE1 3.59Å; F599-F601 HydrophobicContact CE1-CE1 3.59Å; F599-F601 HydrophobicContact CE1-CE2 4.33Å; F599-F601 HydrophobicContact CE1-CG 4.15Å; F599-F601 AromaticContact CE1-CZ 3.91Å; F599-F601 HydrophobicContact CE1-CZ 3.91Å; F599-F601 AromaticContact CZ-CD1 3.91Å; F599-F601 HydrophobicContact CZ-CD1 3.91Å; F599-F601 AromaticContact CZ-CE1 3.63Å; F599-F601 HydrophobicContact CZ-CE1 3.63Å; F599-F601 HydrophobicContact CZ-CZ 4.27Å
600	R	97.1	Very high	93.2	Very high	155 Å²	155	70.1 Å²	70.1	59%	0.585	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.8	129	177.1	173.7	167.3	-67.4	-158.4	-0	111.4	N518 F579 S580	N518-R600 WeakPolarHBondContact OD1-CA 3.4Å; F579-R600 CarbonylContact C-O 3.54Å; F579-R600 VanDerWaalsContact CA-O 3.3Å; F579-R600 WeakPolarHBondContact CA-O 3.44Å; S580-R600 PolarHBondContact N-O 2.78Å; S580-R600 PolarHBondContact O-N 2.79Å
601	F	95.3	Very high	94	Very high	57 Å²	57	63.9 Å²	63.9	25%	0.25	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	149.1	163.1	-63.9	-53.8	0	0	0	110.9	N518 I569 F571 H577 I578 F579 F599	N518-F601 VanDerWaalsContact ND2-CD2 3.26Å; N518-F601 WeakPolarHBondContact ND2-CD2 3.43Å; N518-F601 VanDerWaalsContact ND2-CE2 3.32Å; N518-F601 WeakPolarHBondContact ND2-CE2 3.32Å; N518-F601 WeakPolarHBondContact OD1-CD2 3.42Å; N518-F601 PolarHBondContact OD1-N 2.9Å; I569-F601 HydrophobicContact CG2-CD1 4.27Å; I569-F601 HydrophobicContact CG2-CE1 3.8Å; F571-F601 HydrophobicContact CD2-CZ 4.37Å; F571-F601 AromaticContact CE2-CE1 4Å; F571-F601 HydrophobicContact CE2-CE1 4Å; F571-F601 AromaticContact CE2-CZ 3.8Å; F571-F601 HydrophobicContact CE2-CZ 3.8Å; H577-F601 HydrophobicContact CB-CD1 3.72Å; H577-F601 HydrophobicContact CB-CE1 4.12Å; H577-F601 HydrophobicContact CB-CG 4.42Å; I578-F601 WeakPolarHBondContact O-CA 3.23Å; F579-F601 HydrophobicContact CB-CD1 4.4Å; F599-F601 AromaticContact CE1-CD1 3.72Å; F599-F601 HydrophobicContact CE1-CD1 3.72Å; F599-F601 HydrophobicContact CE1-CD2 4.44Å; F599-F601 AromaticContact CE1-CE1 3.59Å; F599-F601 HydrophobicContact CE1-CE1 3.59Å; F599-F601 HydrophobicContact CE1-CE2 4.33Å; F599-F601 HydrophobicContact CE1-CG 4.15Å; F599-F601 AromaticContact CE1-CZ 3.91Å; F599-F601 HydrophobicContact CE1-CZ 3.91Å; F599-F601 AromaticContact CZ-CD1 3.91Å; F599-F601 HydrophobicContact CZ-CD1 3.91Å; F599-F601 AromaticContact CZ-CE1 3.63Å; F599-F601 HydrophobicContact CZ-CE1 3.63Å; F599-F601 HydrophobicContact CZ-CZ 4.27Å
602	I	91.4	Very high	94.5	Very high	69 Å²	69	60.8 Å²	60.8	35%	0.354	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.1	172.9	-61.1	168.6	0	0	0	105.9	F566 I578	F566-I602 HydrophobicContact CD2-CD1 4.06Å; F566-I602 HydrophobicContact CE2-CD1 3.79Å; I578-I602 HydrophobicContact CB-CB 4.16Å; I578-I602 HydrophobicContact CG2-CB 3.99Å; I578-I602 HydrophobicContact CG2-CD1 4.19Å; I578-I602 HydrophobicContact CG2-CG2 4.46Å; I578-I602 PolarHBondContact O-N 2.63Å
603	D	77.9	Confident	94.5	Very high	209 Å²	209	60.9 Å²	60.9	100%	1.118	30%	0.297	S	S	*	.			trans	-85.6	0	-178.9	-66.2	-41.1	0	0	0	112.3

Retrieved 603 of 603 residues in 304.8 ms (Link to these results)

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