A0A087Y4B3_POEFO Loading...

C-type lectin domain family 3 member A

AlphaFold DB , UniProt , Accession A0A087Y4B3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 240 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.4	Very low	40.9	Very low	244 Å²	244	179.3 Å²	179.3	100%	1.202	85%	0.848	S	S	*	*				0	93.9	0	-81.7	179.1	-178.1	0	0	107.9
2	Q	38.1	Very low	40.5	Very low	191 Å²	191	169.9 Å²	169.9	89%	0.893	84%	0.835	S	S	*	*			trans	-70.6	132.1	166	-69.7	162.8	-45.6	0	0	107.2
3	R	40.4	Very low	40.2	Very low	248 Å²	248	170.5 Å²	170.5	94%	0.936	83%	0.834	S	S	*	*			trans	-122.1	108.3	159	-84.4	-167.3	-170.2	-178.4	3.8	107.3
4	E	42.8	Very low	40	Very low	186 Å²	186	173.4 Å²	173.4	87%	0.869	83%	0.833	S	S	*	*			trans	-66.6	158.4	166.8	-71.2	168.8	124.7	0	0	111.1
5	N	42	Very low	40.1	Very low	115 Å²	115	170.9 Å²	170.9	62%	0.615	82%	0.824	S	S	*	*			trans	-58.7	168.8	177.6	-158.5	16.5	0	0	0	112.7	E7	N5-E7 VanDerWaalsContact CG-N 3.32Å; N5-E7 WeakPolarHBondContact ND2-CG 3.43Å; N5-E7 PolarHBondContact ND2-N 3.36Å; N5-E7 PolarHBondContact OD1-N 3.02Å
6	P	46.1	Very low	40.2	Very low	119 Å²	119	170.3 Å²	170.3	77%	0.773	83%	0.826	S	S	*	*				-141.3	140.9	93.7	30.3	-12.1	0	0	0	115.3
7	E	43.3	Very low	40.3	Very low	154 Å²	154	169 Å²	169	72%	0.72	82%	0.824	S	S	*	*			trans	-49.1	130.1	164.1	-81.3	149.4	140.6	0	0	111.3	N5	N5-E7 VanDerWaalsContact CG-N 3.32Å; N5-E7 WeakPolarHBondContact ND2-CG 3.43Å; N5-E7 PolarHBondContact ND2-N 3.36Å; N5-E7 PolarHBondContact OD1-N 3.02Å
8	R	36.2	Very low	40.7	Very low	230 Å²	230	166.2 Å²	166.2	87%	0.868	82%	0.821	S	S	*	*			trans	-96.7	91.9	163.2	-165.9	177.2	-67.9	-177.7	-1.3	107.9	T10	R8-T10 PolarHBondContact O-N 3.12Å
9	Q	36.8	Very low	41.2	Very low	173 Å²	173	165.4 Å²	165.4	81%	0.808	83%	0.825	S	S	*	*			trans	-63.8	116.4	160.7	-69.3	174.9	-17.8	0	0	108
10	T	39.7	Very low	41.6	Very low	126 Å²	126	160.5 Å²	160.5	77%	0.773	82%	0.819	S	S	*	*			trans	-99.6	112.9	162.1	46.8	0	0	0	0	107.6	R8	R8-T10 PolarHBondContact O-N 3.12Å
11	E	39.6	Very low	41.3	Very low	186 Å²	186	158.8 Å²	158.8	87%	0.869	82%	0.82	S	S	*	*			trans	-56.4	138	-179.3	-63.5	177.9	136.9	0	0	112.2	H13	E11-H13 PolarHBondContact O-N 3.31Å
12	G	36.2	Very low	41.3	Very low	67 Å²	67	155.8 Å²	155.8	69%	0.691	81%	0.808	S	S	*	*			trans	-68	117.7	171.5	0	0	0	0	0	110.6	Y14	G12-Y14 PolarHBondContact O-N 3.31Å
13	H	36.5	Very low	41.6	Very low	177 Å²	177	152.3 Å²	152.3	82%	0.819	80%	0.8	S	S	*	*			trans	-79.8	97.3	169.3	-135.8	71.3	0	0	0	108.7	E11 I15	E11-H13 PolarHBondContact O-N 3.31Å; H13-I15 PolarHBondContact O-N 3.17Å
14	Y	37.3	Very low	41.7	Very low	211 Å²	211	146.2 Å²	146.2	83%	0.827	79%	0.792	S	S	*	*			trans	-74.1	98.7	167.8	-87.8	-92.7	0	0	0	109	G12 N16	G12-Y14 PolarHBondContact O-N 3.31Å; Y14-N16 PolarHBondContact O-N 3.11Å
15	I	42.5	Very low	41.4	Very low	137 Å²	137	147.1 Å²	147.1	70%	0.703	79%	0.794	S	S	*	*			trans	-81.7	104.3	165.1	15.1	174.3	0	0	0	108.2	H13 L17	H13-I15 PolarHBondContact O-N 3.17Å; I15-L17 PolarHBondContact O-N 3.01Å
16	N	40.5	Very low	41.4	Very low	160 Å²	160	146 Å²	146	86%	0.856	80%	0.8	S	S	*	*			trans	-63.4	112.7	163.5	-84.4	-55.8	0	0	0	108.7	Y14	Y14-N16 PolarHBondContact O-N 3.11Å
17	L	42.7	Very low	41.3	Very low	149 Å²	149	145.7 Å²	145.7	78%	0.78	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-96	135.4	169.5	-87.5	143.4	0	0	0	109.6	I15	I15-L17 PolarHBondContact O-N 3.01Å
18	P	47.3	Very low	41.3	Very low	119 Å²	119	143.7 Å²	143.7	77%	0.773	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-71.3	143.7	-175.7	28.8	-33	0	0	0	112
19	V	50.5	Low	41.6	Very low	150 Å²	150	140.8 Å²	140.8	91%	0.909	79%	0.793	S	S	*	*	S	Bend	trans	-66.4	128.9	171.6	-170.7	0	0	0	0	109.2
20	G	48.2	Very low	42	Very low	68 Å²	68	139 Å²	139	70%	0.701	79%	0.793	S	S	*	*			trans	89.7	91.8	156.5	0	0	0	0	0	116.7
21	C	36.2	Very low	42.4	Very low	124 Å²	124	138 Å²	138	84%	0.838	79%	0.787	S	S	*	*			trans	-143.6	104.6	147.4	-91.9	0	0	0	0	108.2	V23	C21-V23 PolarHBondContact O-N 3.03Å
22	L	43.5	Very low	42.7	Very low	182 Å²	182	134.7 Å²	134.7	95%	0.953	78%	0.782	S	S	*	*			trans	-67.2	107.7	164.6	-79.9	158.5	0	0	0	107.7
23	V	45.6	Very low	42.9	Very low	118 Å²	118	140.8 Å²	140.8	72%	0.715	79%	0.792	S	S	*	*			trans	-92.4	125	167.2	-149.3	0	0	0	0	106.7	C21 F25	C21-V23 PolarHBondContact O-N 3.03Å; V23-F25 PolarHBondContact O-N 3.4Å; V23-F25 VanDerWaalsContact O-N 3.12Å
24	P	42.5	Very low	43.4	Very low	120 Å²	120	136.7 Å²	136.7	78%	0.779	78%	0.783	S	S	*	*			trans	-66.5	115.8	174.6	26	-30.5	0	0	0	108.7	A26	P24-A26 PolarHBondContact O-N 3.42Å
25	F	36.2	Very low	43.9	Very low	204 Å²	204	132.9 Å²	132.9	90%	0.895	79%	0.785	S	S	*	*			trans	-64.5	101.6	165.6	-108.6	-97.9	0	0	0	107.7	V23 V27	V23-F25 PolarHBondContact O-N 3.4Å; V23-F25 VanDerWaalsContact O-N 3.12Å; F25-V27 PolarHBondContact O-N 3.01Å
26	A	42	Very low	44	Very low	91 Å²	91	132.6 Å²	132.6	75%	0.752	79%	0.789	S	S	*	*			trans	-71.9	109.6	164.5	0	0	0	0	0	107.8	P24 P28	P24-A26 PolarHBondContact O-N 3.42Å; A26-P28 WeakPolarHBondContact O-CD 3.31Å
27	V	44.8	Very low	44	Very low	114 Å²	114	132.6 Å²	132.6	69%	0.691	79%	0.788	S	S	*	*			trans	-70.1	121	167	178.7	0	0	0	0	107.3	F25 Q29	F25-V27 PolarHBondContact O-N 3.01Å; V27-Q29 PolarHBondContact O-N 3.33Å
28	P	41.9	Very low	43.9	Very low	112 Å²	112	131 Å²	131	73%	0.727	79%	0.789	S	S	*	*			trans	-71.1	103.2	166.5	25.5	-23.4	0	0	0	107.4	A26 V30	A26-P28 WeakPolarHBondContact O-CD 3.31Å; P28-V30 PolarHBondContact O-N 3.49Å; P28-V30 VanDerWaalsContact O-N 3.1Å
29	Q	43	Very low	43.8	Very low	169 Å²	169	130.9 Å²	130.9	79%	0.79	79%	0.786	S	S	*	*			trans	-68.3	103.2	166.3	-72.4	-164.2	-35.1	0	0	108.1	V27 V31	V27-Q29 PolarHBondContact O-N 3.33Å; Q29-V31 PolarHBondContact O-N 3.25Å
30	V	45.3	Very low	43.4	Very low	135 Å²	135	129.6 Å²	129.6	82%	0.818	78%	0.781	S	S	*	*			trans	-76.6	99.3	163.9	179.6	0	0	0	0	106.7	P28	P28-V30 PolarHBondContact O-N 3.49Å; P28-V30 VanDerWaalsContact O-N 3.1Å
31	V	48.5	Very low	43	Very low	106 Å²	106	134.4 Å²	134.4	64%	0.642	79%	0.79	S	S	*	*			trans	-77.7	124.1	171.6	-176.4	0	0	0	0	107.9	Q29 Q33	Q29-V31 PolarHBondContact O-N 3.25Å; V31-Q33 PolarHBondContact O-N 3.45Å
32	P	45	Very low	43.4	Very low	116 Å²	116	133.4 Å²	133.4	75%	0.753	79%	0.79	S	S	*	*			trans	-69.9	113.4	172	27.2	-29.9	0	0	0	108.9	S34	P32-S34 PolarHBondContact O-N 2.92Å
33	Q	40.8	Very low	43.2	Very low	194 Å²	194	129.4 Å²	129.4	91%	0.907	78%	0.777	S	S	*	*			trans	-74.3	109.8	169.6	-73.6	-175.6	-16.9	0	0	109	V31	V31-Q33 PolarHBondContact O-N 3.45Å
34	S	48.1	Very low	42.9	Very low	92 Å²	92	130 Å²	130	64%	0.643	78%	0.776	S	S	*	*			trans	-79.3	144.8	161.1	46.7	0	0	0	0	109.8	P32 V36	P32-S34 PolarHBondContact O-N 2.92Å; S34-V36 PolarHBondContact O-N 3.16Å
35	P	47.1	Very low	42.8	Very low	131 Å²	131	133 Å²	133	85%	0.851	78%	0.782	S	S	*	*			trans	-73.3	114.3	173.1	28.6	-30.4	0	0	0	109.3	L37	P35-L37 PolarHBondContact O-N 2.95Å
36	V	45.2	Very low	43.1	Very low	130 Å²	130	126.8 Å²	126.8	79%	0.788	77%	0.769	S	S	*	*			trans	-78.8	114.4	173.9	-177.7	0	0	0	0	108.6	S34 S38	S34-V36 PolarHBondContact O-N 3.16Å; V36-S38 PolarHBondContact O-N 3.42Å
37	L	39.4	Very low	43.1	Very low	161 Å²	161	130.9 Å²	130.9	84%	0.843	77%	0.772	S	S	*	*			trans	-77	112.9	167.3	-146.5	84.9	0	0	0	108.1	P35 V39	P35-L37 PolarHBondContact O-N 2.95Å; L37-V39 PolarHBondContact O-N 3.44Å
38	S	39.9	Very low	42.8	Very low	114 Å²	114	133.9 Å²	133.9	80%	0.797	78%	0.783	S	S	*	*			trans	-77.6	114	179.4	45.8	0	0	0	0	111.7	V36	V36-S38 PolarHBondContact O-N 3.42Å
39	V	45.7	Very low	42.9	Very low	117 Å²	117	134.5 Å²	134.5	71%	0.709	79%	0.785	S	S	*	*			trans	-106.2	132.6	164.2	-177.7	0	0	0	0	107.6	L37	L37-V39 PolarHBondContact O-N 3.44Å
40	P	42.6	Very low	42.7	Very low	124 Å²	124	133 Å²	133	81%	0.805	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-78.9	126.6	178.1	31.7	-30.2	0	0	0	110
41	L	39.8	Very low	42.9	Very low	169 Å²	169	131.6 Å²	131.6	89%	0.885	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-96.1	135	165.4	-96.7	122.9	0	0	0	109.5
42	A	44.7	Very low	42.5	Very low	102 Å²	102	133.5 Å²	133.5	84%	0.843	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-76.2	123.3	172.8	0	0	0	0	0	110.7
43	S	39.2	Very low	42.4	Very low	98 Å²	98	136.6 Å²	136.6	69%	0.685	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-85.6	145.5	152.9	-136.7	0	0	0	0	106.3
44	D	39.7	Very low	42.5	Very low	131 Å²	131	135 Å²	135	70%	0.701	79%	0.785	S	S	*	*			cis	-162	165.2	41.8	-94	-43.1	0	0	0	108.9
45	M	39.6	Very low	42.1	Very low	182 Å²	182	134.5 Å²	134.5	90%	0.897	79%	0.787	S	S	*	*			trans	153.6	88.4	132.6	-77	-48.8	179.8	0	0	109.4
46	A	42.5	Very low	41.9	Very low	75 Å²	75	136.3 Å²	136.3	62%	0.62	79%	0.789	S	S	*	*			trans	-116.3	151.5	159.4	0	0	0	0	0	109.1
47	H	41.9	Very low	42.2	Very low	177 Å²	177	134.9 Å²	134.9	82%	0.819	78%	0.784	S	S	*	*			trans	90.2	100.9	169.2	-46.7	-67	0	0	0	116.1
48	L	38.7	Very low	42.1	Very low	176 Å²	176	136.7 Å²	136.7	92%	0.921	79%	0.786	S	S	*	*				-171.6	107.9	107.6	-92	159.7	0	0	0	108.7
49	V	45.1	Very low	42.1	Very low	126 Å²	126	135 Å²	135	76%	0.764	77%	0.774	S	S	*	*			trans	-120.2	124.1	176	174.8	0	0	0	0	108.3
50	L	39	Very low	42	Very low	137 Å²	137	136.7 Å²	136.7	72%	0.717	78%	0.778	S	S	*	*			trans	77	150.1	163.7	-68.2	158.8	0	0	0	117.9
51	P	47.7	Very low	42.1	Very low	106 Å²	106	137.6 Å²	137.6	69%	0.688	78%	0.776	S	S	*	*			cis	-136.6	141	10.1	36.4	-17.3	0	0	0	115.3
52	V	41.9	Very low	42	Very low	146 Å²	146	134.6 Å²	134.6	89%	0.885	77%	0.768	S	S	*	*			trans	-142.4	87.9	150.8	-173.8	0	0	0	0	108.5
53	F	42.3	Very low	41.4	Very low	181 Å²	181	135.2 Å²	135.2	79%	0.794	76%	0.764	S	S	*	*			trans	-92	118.4	158.5	-91.5	-84.5	0	0	0	107.1
54	L	43.6	Very low	41.3	Very low	160 Å²	160	135.8 Å²	135.8	84%	0.838	77%	0.768	S	S	*	*				154.7	145.6	121.7	-82.1	167.2	0	0	0	112.1
55	A	39.5	Very low	41.5	Very low	82 Å²	82	141 Å²	141	68%	0.678	78%	0.778	S	S	*	*			trans	79.6	100.1	162.3	0	0	0	0	0	115.9
56	L	42.2	Very low	41.5	Very low	169 Å²	169	138.4 Å²	138.4	89%	0.885	78%	0.775	S	S	*	*				-180	108.2	89.4	-88.4	160.8	0	0	0	110.1
57	S	50.4	Low	41.6	Very low	100 Å²	100	139.9 Å²	139.9	70%	0.699	78%	0.781	S	S	*	*			trans	-63.4	140.2	154.8	48.5	0	0	0	0	110.6
58	F	37.7	Very low	41.7	Very low	198 Å²	198	142.7 Å²	142.7	87%	0.868	78%	0.784	S	S	*	*			trans	149.4	136.3	152.4	-104.8	-110	0	0	0	106.5
59	S	39.8	Very low	42	Very low	78 Å²	78	140 Å²	140	55%	0.545	78%	0.776	S	S	.	*			cis	-164.5	139.5	-8.9	-96.9	0	0	0	0	107.1
60	L	44	Very low	42.2	Very low	153 Å²	153	145.6 Å²	145.6	80%	0.801	78%	0.783	S	S	*	*			trans	47	133.9	140	-67.4	167.4	0	0	0	122.8
61	L	45.9	Very low	42.5	Very low	144 Å²	144	148.4 Å²	148.4	75%	0.754	79%	0.789	S	S	*	*			trans	98.1	108.1	138.1	-73.8	151.6	0	0	0	120
62	C	36.7	Very low	42.2	Very low	106 Å²	106	147.8 Å²	147.8	72%	0.716	79%	0.793	S	S	*	*			trans	63.5	116	135	-75.5	0	0	0	0	119.6
63	C	32.3	Very low	42.6	Very low	115 Å²	115	147.3 Å²	147.3	78%	0.777	79%	0.79	S	S	*	*				-174.4	141.2	87.1	-101	0	0	0	0	112.6
64	S	36	Very low	42.6	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	78%	0.781	S	S	*	*			trans	73.6	107	144.4	-46.4	0	0	0	0	120.8
65	R	45.2	Very low	42.7	Very low	240 Å²	240	140.7 Å²	140.7	91%	0.906	78%	0.777	S	S	*	*			trans	-53.1	153.4	153.5	-78.3	175	170.3	177	-2.8	111
66	P	38.3	Very low	42.9	Very low	128 Å²	128	147 Å²	147	83%	0.831	78%	0.783	S	S	*	*				-126.5	149.5	102.2	11.2	8.4	0	0	0	113.4	R68	P66-R68 PolarHBondContact O-N 2.94Å
67	S	46	Very low	43.3	Very low	106 Å²	106	148.2 Å²	148.2	74%	0.741	78%	0.784	S	S	*	*			trans	-54.3	118.2	175	151.7	0	0	0	0	112.2
68	R	44.3	Very low	43.3	Very low	235 Å²	235	145.3 Å²	145.3	89%	0.887	76%	0.764	S	S	*	*			trans	-118.6	107.7	151.5	-156.9	171.9	-173.8	172.9	1.3	107.5	P66 R70	P66-R68 PolarHBondContact O-N 2.94Å; R68-R70 PolarHBondContact O-N 2.99Å
69	T	44.5	Very low	44.1	Very low	121 Å²	121	137.6 Å²	137.6	74%	0.742	74%	0.741	S	S	*	*			trans	-52.7	108.1	172.7	37.4	0	0	0	0	109.2	K71	T69-K71 PolarHBondContact O-N 3.33Å; T69-K71 VanDerWaalsContact O-N 3.12Å
70	R	49.5	Very low	44.8	Very low	242 Å²	242	137.7 Å²	137.7	91%	0.913	75%	0.746	S	S	*	*			trans	-68.7	104.5	159.2	-76.5	-178.2	178.1	178.3	-1	105.7	R68 A72	R68-R70 PolarHBondContact O-N 2.99Å; R70-A72 PolarHBondContact O-N 2.89Å; R70-A72 VanDerWaalsContact O-N 3.17Å
71	K	43.8	Very low	45.6	Very low	197 Å²	197	133.7 Å²	133.7	86%	0.857	74%	0.735	S	S	*	*			trans	-60.4	117	157.9	-80.5	-175.2	176.4	-179.9	0	106.1	T69 V73	T69-K71 PolarHBondContact O-N 3.33Å; T69-K71 VanDerWaalsContact O-N 3.12Å; K71-V73 PolarHBondContact O-N 2.87Å
72	A	42.9	Very low	46.7	Very low	93 Å²	93	132.2 Å²	132.2	77%	0.769	72%	0.724	S	S	*	*			trans	-56.9	124.9	167	0	0	0	0	0	108	R70 S74	R70-A72 PolarHBondContact O-N 2.89Å; R70-A72 VanDerWaalsContact O-N 3.17Å; A72-S74 PolarHBondContact O-N 3.29Å
73	V	49.1	Very low	48.5	Very low	135 Å²	135	132.6 Å²	132.6	82%	0.818	72%	0.719	S	S	*	*			trans	-72.3	113.9	161.2	174.6	0	0	0	0	105.3	K71	K71-V73 PolarHBondContact O-N 2.87Å
74	S	43.8	Very low	51.1	Low	87 Å²	87	132.7 Å²	132.7	61%	0.608	71%	0.708	S	S	*	*			trans	-54.8	146	171.3	-172.9	0	0	0	0	110	A72 R76	A72-S74 PolarHBondContact O-N 3.29Å; S74-R76 PolarHBondContact O-N 3.44Å
75	P	44.7	Very low	53.6	Low	116 Å²	116	131.8 Å²	131.8	75%	0.753	70%	0.695	S	S	*	*			trans	-59.9	113.8	166.9	-1.9	14.3	0	0	0	107.6	Q77	P75-Q77 PolarHBondContact O-N 3.03Å; P75-Q77 VanDerWaalsContact O-N 3.11Å
76	R	43.2	Very low	55.8	Low	214 Å²	214	123.9 Å²	123.9	81%	0.808	67%	0.673	S	S	*	*			trans	-62.5	113.5	173.7	-81.4	-178.9	173.6	-172.8	-3.2	108.2	S74 S78	S74-R76 PolarHBondContact O-N 3.44Å; R76-S78 PolarHBondContact O-N 3.25Å
77	Q	50.5	Low	58.4	Low	194 Å²	194	123.3 Å²	123.3	91%	0.907	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	39.1	162.9	-69.8	175.7	-37.1	0	0	111.1	P75	P75-Q77 PolarHBondContact O-N 3.03Å; P75-Q77 VanDerWaalsContact O-N 3.11Å
78	S	51.3	Low	60.7	Low	40 Å²	40	121 Å²	121	28%	0.28	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.2	-22.2	-171.6	67	0	0	0	0	114.4	R76 A80 E82	R76-S78 PolarHBondContact O-N 3.25Å; S78-A80 PolarHBondContact O-N 3.32Å; S78-E82 WeakPolarHBondContact O-CG 3.29Å; S78-E82 PolarHBondContact O-N 3.39Å; S78-E82 PolarHBondContact OG-OE2 3.32Å
79	G	53.7	Low	63.2	Low	36 Å²	36	114.6 Å²	114.6	37%	0.371	63%	0.625	S	S	.	*	H	α-helix	trans	-65.9	-36.8	-171.7	0	0	0	0	0	115.3	A81 D83	G79-A81 PolarHBondContact O-N 2.97Å; G79-D83 VanDerWaalsContact O-CB 3.31Å; G79-D83 WeakPolarHBondContact O-CB 3.5Å; G79-D83 PolarHBondContact O-N 3.48Å
80	A	55.8	Low	65.6	Low	79 Å²	79	113.7 Å²	113.7	65%	0.653	61%	0.614	S	S	*	*	H	α-helix	trans	-73.3	-30.2	-175.8	0	0	0	0	0	113.8	S78 E84	S78-A80 PolarHBondContact O-N 3.32Å; A80-E84 WeakPolarHBondContact O-CG 3.34Å; A80-E84 PolarHBondContact O-N 2.85Å
81	A	60.7	Low	67.8	Low	70 Å²	70	106.9 Å²	106.9	58%	0.579	59%	0.593	S	S	*	*	H	α-helix	trans	-83.4	-35.1	178.4	0	0	0	0	0	111.9	G79 D85	G79-A81 PolarHBondContact O-N 2.97Å; A81-D85 WeakPolarHBondContact O-CB 3.38Å; A81-D85 PolarHBondContact O-N 3.49Å; A81-D85 VanDerWaalsContact O-N 3.16Å
82	E	68.5	Low	70.3	Confident	112 Å²	112	103.4 Å²	103.4	52%	0.523	58%	0.578	S	S	.	*	H	α-helix	trans	-68.4	-40.1	174.8	-70	169.6	161	0	0	110.9	S78 D85 V86	S78-E82 WeakPolarHBondContact O-CG 3.29Å; S78-E82 PolarHBondContact O-N 3.39Å; S78-E82 PolarHBondContact OG-OE2 3.32Å; E82-D85 PolarHBondContact O-N 3.46Å; E82-V86 VanDerWaalsContact O-CG2 3.25Å; E82-V86 WeakPolarHBondContact O-CG2 3Å; E82-V86 PolarHBondContact O-N 3.45Å
83	D	75.4	Confident	72.7	Confident	114 Å²	114	103.9 Å²	103.9	61%	0.61	57%	0.567	S	S	*	*	H	α-helix	trans	-68.7	-37	177.6	-74.1	-11.9	0	0	0	113.1	G79 K87	G79-D83 VanDerWaalsContact O-CB 3.31Å; G79-D83 WeakPolarHBondContact O-CB 3.5Å; G79-D83 PolarHBondContact O-N 3.48Å; D83-K87 VanDerWaalsContact O-CB 3.29Å; D83-K87 WeakPolarHBondContact O-CB 3.25Å; D83-K87 PolarHBondContact O-N 2.9Å
84	E	84.9	Confident	74.8	Confident	118 Å²	118	104.9 Å²	104.9	55%	0.551	56%	0.556	S	S	*	*	H	α-helix	trans	-69.3	-37	175.2	-79.2	-68.6	147.4	0	0	112.2	A80 K87 A88	A80-E84 WeakPolarHBondContact O-CG 3.34Å; A80-E84 PolarHBondContact O-N 2.85Å; E84-K87 PolarHBondContact O-N 3.42Å; E84-A88 WeakPolarHBondContact O-CB 3.33Å; E84-A88 PolarHBondContact O-N 3.02Å
85	D	90.4	Very high	77.2	Confident	90 Å²	90	106.7 Å²	106.7	48%	0.481	56%	0.555	S	S	.	*	H	α-helix	trans	-66.3	-44.6	173.9	-178.1	52.7	0	0	0	111.5	A81 E82 K87 A88 Q89	A81-D85 WeakPolarHBondContact O-CB 3.38Å; A81-D85 PolarHBondContact O-N 3.49Å; A81-D85 VanDerWaalsContact O-N 3.16Å; E82-D85 PolarHBondContact O-N 3.46Å; D85-K87 VanDerWaalsContact C-N 3.32Å; D85-K87 PolarHBondContact O-N 2.96Å; D85-A88 PolarHBondContact O-N 2.85Å; D85-Q89 WeakPolarHBondContact O-CB 3.47Å; D85-Q89 VanDerWaalsContact O-CG 3.27Å; D85-Q89 WeakPolarHBondContact O-CG 3.27Å; D85-Q89 PolarHBondContact O-N 3.27Å; D85-Q89 PolarHBondContact OD1-NE2 2.92Å; D85-Q89 PolarHBondContact OD2-NE2 2.94Å
86	V	91.4	Very high	79.5	Confident	75 Å²	75	105.4 Å²	105.4	46%	0.455	54%	0.539	S	S	.	.	H	α-helix	trans	-61.7	-41	175.3	172	0	0	0	0	111.2	E82 Q89 I90	E82-V86 VanDerWaalsContact O-CG2 3.25Å; E82-V86 WeakPolarHBondContact O-CG2 3Å; E82-V86 PolarHBondContact O-N 3.45Å; V86-Q89 PolarHBondContact O-N 3.41Å; V86-I90 HydrophobicContact CG1-CD1 4.06Å; V86-I90 WeakPolarHBondContact O-CG1 3.5Å; V86-I90 PolarHBondContact O-N 2.92Å
87	K	92.8	Very high	81.7	Confident	116 Å²	116	98.2 Å²	98.2	50%	0.504	52%	0.519	S	S	.	.	H	α-helix	trans	-64.3	-44.1	176.1	-175.5	-178.6	176.2	-170.9	0	112.1	D83 E84 D85 Q89 I90 E91	D83-K87 VanDerWaalsContact O-CB 3.29Å; D83-K87 WeakPolarHBondContact O-CB 3.25Å; D83-K87 PolarHBondContact O-N 2.9Å; E84-K87 PolarHBondContact O-N 3.42Å; D85-K87 VanDerWaalsContact C-N 3.32Å; D85-K87 PolarHBondContact O-N 2.96Å; K87-Q89 VanDerWaalsContact C-N 3.29Å; K87-Q89 PolarHBondContact O-N 3.09Å; K87-I90 PolarHBondContact O-N 3.18Å; K87-E91 WeakPolarHBondContact O-CG 3.32Å; K87-E91 PolarHBondContact O-N 3.3Å
88	A	94.2	Very high	83.4	Confident	58 Å²	58	91 Å²	91	48%	0.479	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-38.2	175.5	0	0	0	0	0	111.9	E84 D85 E91 K92	E84-A88 WeakPolarHBondContact O-CB 3.33Å; E84-A88 PolarHBondContact O-N 3.02Å; D85-A88 PolarHBondContact O-N 2.85Å; A88-E91 PolarHBondContact O-N 3.12Å; A88-K92 WeakPolarHBondContact O-CB 3.39Å; A88-K92 PolarHBondContact O-N 3.39Å
89	Q	95.8	Very high	85	Confident	99 Å²	99	93.7 Å²	93.7	46%	0.463	50%	0.497	S	S	.	.	H	α-helix	trans	-65.8	-40.7	174.4	-72.4	175.1	23.1	0	0	112.3	D85 V86 K87 K92 L93	D85-Q89 WeakPolarHBondContact O-CB 3.47Å; D85-Q89 VanDerWaalsContact O-CG 3.27Å; D85-Q89 WeakPolarHBondContact O-CG 3.27Å; D85-Q89 PolarHBondContact O-N 3.27Å; D85-Q89 PolarHBondContact OD1-NE2 2.92Å; D85-Q89 PolarHBondContact OD2-NE2 2.94Å; V86-Q89 PolarHBondContact O-N 3.41Å; K87-Q89 VanDerWaalsContact C-N 3.29Å; K87-Q89 PolarHBondContact O-N 3.09Å; Q89-K92 PolarHBondContact O-N 2.87Å; Q89-L93 WeakPolarHBondContact O-CB 3.36Å; Q89-L93 WeakPolarHBondContact O-CG 3.34Å; Q89-L93 PolarHBondContact O-N 2.87Å
90	I	95.9	Very high	86.3	Confident	102 Å²	102	97.2 Å²	97.2	52%	0.523	51%	0.507	S	S	.	.	H	α-helix	trans	-61.7	-46.1	175.3	-71.2	165.9	0	0	0	111	V86 K87 K92 L93 W94	V86-I90 HydrophobicContact CG1-CD1 4.06Å; V86-I90 WeakPolarHBondContact O-CG1 3.5Å; V86-I90 PolarHBondContact O-N 2.92Å; K87-I90 PolarHBondContact O-N 3.18Å; I90-K92 VanDerWaalsContact C-N 3.35Å; I90-K92 PolarHBondContact O-N 3.25Å; I90-L93 PolarHBondContact O-N 2.91Å; I90-W94 WeakPolarHBondContact O-CB 3.47Å; I90-W94 PolarHBondContact O-N 3.46Å
91	E	95.4	Very high	87.2	Confident	100 Å²	100	99.5 Å²	99.5	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-43.3	178.3	-72.6	-63.5	160.2	0	0	111.8	K87 A88 W94 Q95	K87-E91 WeakPolarHBondContact O-CG 3.32Å; K87-E91 PolarHBondContact O-N 3.3Å; A88-E91 PolarHBondContact O-N 3.12Å; E91-W94 PolarHBondContact O-N 3.5Å; E91-Q95 WeakPolarHBondContact O-CG 3.41Å; E91-Q95 PolarHBondContact O-N 2.84Å
92	K	95.9	Very high	87.7	Confident	123 Å²	123	100.6 Å²	100.6	54%	0.535	50%	0.495	S	S	.	.	H	α-helix	trans	-62.3	-46.2	175.7	-175	-177.6	174.9	-169.8	0	111.8	A88 Q89 I90 W94 Q95 E96	A88-K92 WeakPolarHBondContact O-CB 3.39Å; A88-K92 PolarHBondContact O-N 3.39Å; Q89-K92 PolarHBondContact O-N 2.87Å; I90-K92 VanDerWaalsContact C-N 3.35Å; I90-K92 PolarHBondContact O-N 3.25Å; K92-W94 VanDerWaalsContact C-N 3.3Å; K92-W94 PolarHBondContact O-N 2.65Å; K92-Q95 PolarHBondContact O-N 2.92Å; K92-E96 WeakPolarHBondContact CE-OE1 3.05Å; K92-E96 IonicContact NZ-OE1 3.93Å; K92-E96 WeakPolarHBondContact O-CG 3.21Å; K92-E96 PolarHBondContact O-N 3.44Å
93	L	94.1	Very high	87.7	Confident	103 Å²	103	99.9 Å²	99.9	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-38.4	176.9	-77.3	170.6	0	0	0	111.7	Q89 I90 E96 V97	Q89-L93 WeakPolarHBondContact O-CB 3.36Å; Q89-L93 WeakPolarHBondContact O-CG 3.34Å; Q89-L93 PolarHBondContact O-N 2.87Å; I90-L93 PolarHBondContact O-N 2.91Å; L93-E96 PolarHBondContact O-N 3.12Å; L93-V97 VanDerWaalsContact O-CB 3.32Å; L93-V97 WeakPolarHBondContact O-CB 3.13Å; L93-V97 VanDerWaalsContact O-CG2 3.23Å; L93-V97 WeakPolarHBondContact O-CG2 3.14Å; L93-V97 PolarHBondContact O-N 2.87Å
94	W	91.4	Very high	87.3	Confident	157 Å²	157	100.5 Å²	100.5	60%	0.595	49%	0.492	S	S	*	.	H	α-helix	trans	-63.4	-42.8	176.1	-172.4	87.6	0	0	0	111.5	I90 E91 K92 V97 N98	I90-W94 WeakPolarHBondContact O-CB 3.47Å; I90-W94 PolarHBondContact O-N 3.46Å; E91-W94 PolarHBondContact O-N 3.5Å; K92-W94 VanDerWaalsContact C-N 3.3Å; K92-W94 PolarHBondContact O-N 2.65Å; W94-V97 PolarHBondContact O-N 2.93Å; W94-N98 VanDerWaalsContact CE2-ND2 3.32Å; W94-N98 WeakPolarHBondContact CH2-ND2 3.32Å; W94-N98 WeakPolarHBondContact CZ2-ND2 3.48Å; W94-N98 WeakPolarHBondContact CZ3-ND2 3.5Å; W94-N98 WeakPolarHBondContact O-CB 3.23Å; W94-N98 VanDerWaalsContact O-CG 3.3Å; W94-N98 PolarHBondContact O-N 2.85Å
95	Q	94.1	Very high	86.1	Confident	124 Å²	124	97.2 Å²	97.2	58%	0.579	49%	0.485	S	S	*	.	H	α-helix	trans	-62.8	-46.7	174.1	-72.1	177.7	-7.9	0	0	112.4	E91 K92 N98 L99	E91-Q95 WeakPolarHBondContact O-CG 3.41Å; E91-Q95 PolarHBondContact O-N 2.84Å; K92-Q95 PolarHBondContact O-N 2.92Å; Q95-N98 PolarHBondContact O-N 3.33Å; Q95-L99 PolarHBondContact O-N 3.25Å
96	E	93.1	Very high	84.8	Confident	89 Å²	89	96 Å²	96	42%	0.416	48%	0.479	S	S	.	.	H	α-helix	trans	-63	-42	177	-73.7	178.1	-177.9	0	0	111.7	K92 L93 N98 L99 L100	K92-E96 WeakPolarHBondContact CE-OE1 3.05Å; K92-E96 IonicContact NZ-OE1 3.93Å; K92-E96 WeakPolarHBondContact O-CG 3.21Å; K92-E96 PolarHBondContact O-N 3.44Å; L93-E96 PolarHBondContact O-N 3.12Å; E96-N98 VanDerWaalsContact C-N 3.35Å; E96-N98 PolarHBondContact O-N 3.44Å; E96-L99 PolarHBondContact O-N 3.1Å; E96-L100 WeakPolarHBondContact O-CB 3.24Å; E96-L100 VanDerWaalsContact O-CG 3.23Å; E96-L100 WeakPolarHBondContact O-CG 3.29Å; E96-L100 PolarHBondContact O-N 3.45Å
97	V	90.6	Very high	83.6	Confident	63 Å²	63	98.2 Å²	98.2	38%	0.382	48%	0.484	S	S	.	.	H	α-helix	trans	-63.4	-40.3	175.8	166.4	0	0	0	0	111.4	L93 W94 L100 K101	L93-V97 VanDerWaalsContact O-CB 3.32Å; L93-V97 WeakPolarHBondContact O-CB 3.13Å; L93-V97 VanDerWaalsContact O-CG2 3.23Å; L93-V97 WeakPolarHBondContact O-CG2 3.14Å; L93-V97 PolarHBondContact O-N 2.87Å; W94-V97 PolarHBondContact O-N 2.93Å; V97-L100 PolarHBondContact O-N 3.33Å; V97-K101 HydrophobicContact CG1-CD 3.96Å; V97-K101 HydrophobicContact CG1-CG 4.4Å; V97-K101 WeakPolarHBondContact O-CB 3.36Å; V97-K101 WeakPolarHBondContact O-CG 3.49Å; V97-K101 PolarHBondContact O-N 3.48Å
98	N	86.1	Confident	82.6	Confident	43 Å²	43	95.6 Å²	95.6	23%	0.23	48%	0.478	C	S	.	.	H	α-helix	trans	-64.9	-44.5	175.8	-75.5	-12.7	0	0	0	111.6	W94 Q95 E96 L100 K101 E102	W94-N98 VanDerWaalsContact CE2-ND2 3.32Å; W94-N98 WeakPolarHBondContact CH2-ND2 3.32Å; W94-N98 WeakPolarHBondContact CZ2-ND2 3.48Å; W94-N98 WeakPolarHBondContact CZ3-ND2 3.5Å; W94-N98 WeakPolarHBondContact O-CB 3.23Å; W94-N98 VanDerWaalsContact O-CG 3.3Å; W94-N98 PolarHBondContact O-N 2.85Å; Q95-N98 PolarHBondContact O-N 3.33Å; E96-N98 VanDerWaalsContact C-N 3.35Å; E96-N98 PolarHBondContact O-N 3.44Å; N98-L100 VanDerWaalsContact C-N 3.35Å; N98-L100 PolarHBondContact O-N 2.93Å; N98-K101 WeakPolarHBondContact O-CB 3.45Å; N98-K101 PolarHBondContact O-N 3.4Å; N98-E102 WeakPolarHBondContact O-CG 3.39Å; N98-E102 PolarHBondContact O-N 2.9Å
99	L	84.9	Confident	81.9	Confident	97 Å²	97	93.5 Å²	93.5	51%	0.508	46%	0.459	S	S	.	.	H	α-helix	trans	-61.5	-42.8	176.1	-177.7	65.1	0	0	0	111.9	Q95 E96 E102 M103	Q95-L99 PolarHBondContact O-N 3.25Å; E96-L99 PolarHBondContact O-N 3.1Å; L99-E102 PolarHBondContact O-N 3.32Å; L99-M103 HydrophobicContact CG-SD 4.47Å; L99-M103 WeakPolarHBondContact O-CG 3.45Å; L99-M103 PolarHBondContact O-N 2.95Å
100	L	81.1	Confident	81.2	Confident	110 Å²	110	89.8 Å²	89.8	58%	0.576	44%	0.443	S	S	*	.	H	α-helix	trans	-66.5	-38.3	177.4	-71	172.5	0	0	0	112	E96 V97 N98 M103 Q104	E96-L100 WeakPolarHBondContact O-CB 3.24Å; E96-L100 VanDerWaalsContact O-CG 3.23Å; E96-L100 WeakPolarHBondContact O-CG 3.29Å; E96-L100 PolarHBondContact O-N 3.45Å; V97-L100 PolarHBondContact O-N 3.33Å; N98-L100 VanDerWaalsContact C-N 3.35Å; N98-L100 PolarHBondContact O-N 2.93Å; L100-M103 PolarHBondContact O-N 2.88Å; L100-Q104 VanDerWaalsContact O-CB 3.25Å; L100-Q104 WeakPolarHBondContact O-CB 3.4Å; L100-Q104 PolarHBondContact O-N 2.81Å
101	K	75.4	Confident	80.5	Confident	126 Å²	126	91.8 Å²	91.8	55%	0.548	46%	0.455	S	S	.	.	H	α-helix	trans	-62.8	-42.8	173	-77.2	172	177.2	177.5	0	111.7	V97 N98 Q104 A105	V97-K101 HydrophobicContact CG1-CD 3.96Å; V97-K101 HydrophobicContact CG1-CG 4.4Å; V97-K101 WeakPolarHBondContact O-CB 3.36Å; V97-K101 WeakPolarHBondContact O-CG 3.49Å; V97-K101 PolarHBondContact O-N 3.48Å; N98-K101 WeakPolarHBondContact O-CB 3.45Å; N98-K101 PolarHBondContact O-N 3.4Å; K101-Q104 PolarHBondContact O-N 3.24Å; K101-A105 WeakPolarHBondContact O-CB 3.34Å; K101-A105 PolarHBondContact O-N 3.15Å
102	E	69.7	Low	80.2	Confident	94 Å²	94	96.6 Å²	96.6	44%	0.439	47%	0.468	S	S	.	.	H	α-helix	trans	-62.5	-45.7	175.7	-73	175.4	-179	0	0	111.7	N98 L99 Q104 L106 P240	N98-E102 WeakPolarHBondContact O-CG 3.39Å; N98-E102 PolarHBondContact O-N 2.9Å; L99-E102 PolarHBondContact O-N 3.32Å; E102-Q104 PolarHBondContact O-N 3.03Å; E102-L106 PolarHBondContact O-N 2.94Å; E102-L106 VanDerWaalsContact O-N 3.14Å; E102-P240 HydrophobicContact CG-CG 4.11Å
103	M	69.2	Low	80	Confident	96 Å²	96	91.4 Å²	91.4	47%	0.473	45%	0.45	S	S	.	.	H	α-helix	trans	-63.6	-40.8	176.4	-72.2	-176.4	67.7	0	0	112.5	L99 L100 Q107	L99-M103 HydrophobicContact CG-SD 4.47Å; L99-M103 WeakPolarHBondContact O-CG 3.45Å; L99-M103 PolarHBondContact O-N 2.95Å; L100-M103 PolarHBondContact O-N 2.88Å; M103-Q107 WeakPolarHBondContact O-CB 3.32Å; M103-Q107 WeakPolarHBondContact O-CG 3.5Å; M103-Q107 PolarHBondContact O-N 3.34Å
104	Q	67.6	Low	80	Confident	128 Å²	128	88 Å²	88	60%	0.598	43%	0.432	S	S	*	.	H	α-helix	trans	-69.3	-40.5	179.8	-174.5	176.6	0.8	0	0	112.4	L100 K101 E102 Q107 T108	L100-Q104 VanDerWaalsContact O-CB 3.25Å; L100-Q104 WeakPolarHBondContact O-CB 3.4Å; L100-Q104 PolarHBondContact O-N 2.81Å; K101-Q104 PolarHBondContact O-N 3.24Å; E102-Q104 PolarHBondContact O-N 3.03Å; Q104-Q107 PolarHBondContact O-N 2.85Å; Q104-T108 PolarHBondContact O-N 3.37Å; Q104-T108 VanDerWaalsContact O-N 3.1Å; Q104-T108 PolarHBondContact O-OG1 2.92Å
105	A	59.4	Low	80	Confident	49 Å²	49	86.5 Å²	86.5	41%	0.405	43%	0.43	S	S	.	.	H	α-helix	trans	-63.9	-44	176.9	0	0	0	0	0	111.6	K101 V109	K101-A105 WeakPolarHBondContact O-CB 3.34Å; K101-A105 PolarHBondContact O-N 3.15Å; A105-V109 WeakPolarHBondContact O-CB 3.29Å; A105-V109 PolarHBondContact O-N 2.95Å
106	L	63.8	Low	79.9	Confident	65 Å²	65	81.1 Å²	81.1	34%	0.34	41%	0.407	S	S	.	.	H	α-helix	trans	-67.2	-38.7	178.3	-165.3	78.2	0	0	0	112.3	E102 C110 I239	E102-L106 PolarHBondContact O-N 2.94Å; E102-L106 VanDerWaalsContact O-N 3.14Å; L106-C110 VanDerWaalsContact CD1-SG 3.56Å; L106-C110 VanDerWaalsContact O-CB 3.24Å; L106-C110 WeakPolarHBondContact O-CB 3.31Å; L106-C110 PolarHBondContact O-SG 3.5Å; L106-C110 VanDerWaalsContact O-SG 3.33Å; L106-I239 HydrophobicContact CD1-CB 4.5Å; L106-I239 HydrophobicContact CD1-CD1 3.59Å; L106-I239 HydrophobicContact CD1-CG1 3.76Å; L106-I239 HydrophobicContact CD1-CG2 3.94Å
107	Q	65.8	Low	79.6	Confident	121 Å²	121	83.6 Å²	83.6	57%	0.565	42%	0.418	S	S	*	.	H	α-helix	trans	-79.1	-21.8	-177.6	-78	-176.7	-23.1	0	0	114.2	M103 Q104 L111	M103-Q107 WeakPolarHBondContact O-CB 3.32Å; M103-Q107 WeakPolarHBondContact O-CG 3.5Å; M103-Q107 PolarHBondContact O-N 3.34Å; Q104-Q107 PolarHBondContact O-N 2.85Å; Q107-L111 WeakPolarHBondContact O-CB 3.39Å; Q107-L111 WeakPolarHBondContact O-CD1 3.23Å; Q107-L111 WeakPolarHBondContact O-CG 3.44Å
108	T	72.1	Confident	79.5	Confident	60 Å²	60	89.7 Å²	89.7	37%	0.368	43%	0.434	S	S	.	.	H	α-helix	trans	-100.8	-40.2	-177	51.4	0	0	0	0	113.4	Q104 R112	Q104-T108 PolarHBondContact O-N 3.37Å; Q104-T108 VanDerWaalsContact O-N 3.1Å; Q104-T108 PolarHBondContact O-OG1 2.92Å; T108-R112 WeakPolarHBondContact O-CD 3.5Å; T108-R112 VanDerWaalsContact O-CG 3.3Å; T108-R112 WeakPolarHBondContact O-CG 3.4Å
109	V	78.2	Confident	79.8	Confident	15 Å²	15	88.7 Å²	88.7	9%	0.091	43%	0.428	C	S	.	.	H	α-helix	trans	-83.1	-51.2	-176.2	177.8	0	0	0	0	110.8	A105 L111 R112 G113 C120 L122 Y237	A105-V109 WeakPolarHBondContact O-CB 3.29Å; A105-V109 PolarHBondContact O-N 2.95Å; V109-L111 VanDerWaalsContact C-N 3.27Å; V109-L111 PolarHBondContact O-N 3.41Å; V109-R112 PolarHBondContact O-N 2.89Å; V109-R112 VanDerWaalsContact O-N 3.14Å; V109-G113 PolarHBondContact O-N 3.43Å; V109-C120 HydrophobicContact CG1-CB 4.32Å; V109-L122 HydrophobicContact CG1-CB 3.9Å; V109-L122 HydrophobicContact CG1-CD2 4.28Å; V109-Y237 HydrophobicContact CG1-CD1 4.4Å; V109-Y237 HydrophobicContact CG1-CD2 3.36Å; V109-Y237 HydrophobicContact CG1-CE1 4.4Å; V109-Y237 HydrophobicContact CG1-CE2 3.36Å; V109-Y237 HydrophobicContact CG1-CG 3.9Å; V109-Y237 HydrophobicContact CG2-CD1 4.38Å; V109-Y237 HydrophobicContact CG2-CE1 4.15Å; V109-Y237 HydrophobicContact CG2-CE2 4.46Å
110	C	82.6	Confident	80.3	Confident	20 Å²	20	84.1 Å²	84.1	14%	0.135	40%	0.404	C	S	.	.	H	α-helix	trans	-68.8	-26.9	-176.2	-44.3	0	0	0	0	112.7	L106 K115 C120	L106-C110 VanDerWaalsContact CD1-SG 3.56Å; L106-C110 VanDerWaalsContact O-CB 3.24Å; L106-C110 WeakPolarHBondContact O-CB 3.31Å; L106-C110 PolarHBondContact O-SG 3.5Å; L106-C110 VanDerWaalsContact O-SG 3.33Å; C110-K115 HydrophobicContact CB-CB 4.37Å; C110-C120 HydrophobicContact CB-CB 3.92Å; C110-C120 WeakPolarHBondContact CB-SG 3.4Å; C110-C120 WeakPolarHBondContact SG-CB 3.3Å; C110-C120 CovalentContact SG-SG 2Å; C110-C120 PolarHBondContact SG-SG 2.81Å
111	L	80.8	Confident	81	Confident	145 Å²	145	79 Å²	79	76%	0.759	38%	0.377	S	S	*	.	H	α-helix	trans	-73.4	-31.4	173.8	-69.4	-169.8	0	0	0	112.7	Q107 V109	Q107-L111 WeakPolarHBondContact O-CB 3.39Å; Q107-L111 WeakPolarHBondContact O-CD1 3.23Å; Q107-L111 WeakPolarHBondContact O-CG 3.44Å; V109-L111 VanDerWaalsContact C-N 3.27Å; V109-L111 PolarHBondContact O-N 3.41Å
112	R	88.5	Confident	81.9	Confident	200 Å²	200	74 Å²	74	76%	0.755	36%	0.356	S	S	*	.	H	α-helix	trans	-85.6	-28.4	176.5	-70.6	177.4	-178.2	170.3	1.2	112.6	T108 V109 L122	T108-R112 WeakPolarHBondContact O-CD 3.5Å; T108-R112 VanDerWaalsContact O-CG 3.3Å; T108-R112 WeakPolarHBondContact O-CG 3.4Å; V109-R112 PolarHBondContact O-N 2.89Å; V109-R112 VanDerWaalsContact O-N 3.14Å; R112-L122 HydrophobicContact CB-CD1 3.78Å
113	G	92.4	Very high	83.2	Confident	15 Å²	15	70.2 Å²	70.2	16%	0.155	34%	0.339	C	S	.	.	S	Bend	trans	-106.8	-133.6	-179.5	0	0	0	0	0	112.7	V109 Y121 Y159	V109-G113 PolarHBondContact O-N 3.43Å; G113-Y121 CarbonylContact C-O 3.41Å; G113-Y121 WeakPolarHBondContact CA-O 3.47Å; G113-Y159 WeakPolarHBondContact CA-OH 3.23Å
114	I	93.6	Very high	84.4	Confident	30 Å²	30	66.9 Å²	66.9	15%	0.154	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.5	169.7	59.6	153.3	0	0	0	110.7	C120 Y121 Y159	I114-C120 CarbonylContact O-C 3.58Å; I114-C120 WeakPolarHBondContact O-CA 3.18Å; I114-Y121 HydrophobicContact CD1-CD2 4.02Å; I114-Y121 HydrophobicContact CG1-CD2 4.14Å; I114-Y121 PolarHBondContact N-O 2.88Å; I114-Y121 PolarHBondContact O-N 3.39Å; I114-Y159 HydrophobicContact CB-CD2 4.24Å; I114-Y159 HydrophobicContact CD1-CD1 4.48Å; I114-Y159 HydrophobicContact CD1-CD2 4.37Å; I114-Y159 HydrophobicContact CD1-CG 3.93Å; I114-Y159 HydrophobicContact CG1-CD1 4.08Å; I114-Y159 HydrophobicContact CG1-CD2 3.9Å; I114-Y159 HydrophobicContact CG1-CE2 4.4Å; I114-Y159 HydrophobicContact CG1-CG 3.73Å; I114-Y159 HydrophobicContact CG2-CD2 3.4Å; I114-Y159 VanDerWaalsContact CG2-CD2 3.4Å; I114-Y159 HydrophobicContact CG2-CE2 3.78Å; I114-Y159 HydrophobicContact CG2-CG 4.11Å
115	K	91.9	Very high	85.6	Confident	126 Å²	126	66.9 Å²	66.9	55%	0.548	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.1	164.5	178.7	176.8	176.1	174.8	0	109	C110 H117 I239	C110-K115 HydrophobicContact CB-CB 4.37Å; K115-H117 WeakPolarHBondContact CE-O 3.46Å; K115-I239 HydrophobicContact CD-CD1 3.99Å; K115-I239 HydrophobicContact CG-CD1 4.01Å
116	A	91.4	Very high	87.3	Confident	12 Å²	12	70.9 Å²	70.9	10%	0.099	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	120.8	169.6	0	0	0	0	0	109.3	R118 K119 Y121 E155	A116-R118 PolarHBondContact O-N 3.24Å; A116-K119 PolarHBondContact N-O 3.01Å; A116-K119 PolarHBondContact O-N 3.46Å; A116-Y121 HydrophobicContact CB-CD2 4.42Å; A116-Y121 HydrophobicContact CB-CE2 4.05Å; A116-E155 HydrophobicContact CB-CB 4.13Å; A116-E155 HydrophobicContact CB-CG 3.88Å
117	H	86.5	Confident	88.9	Confident	140 Å²	140	70.8 Å²	70.8	65%	0.648	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	-121	-173.1	-71.5	69.9	0	0	0	112.4	K115 M151	K115-H117 WeakPolarHBondContact CE-O 3.46Å; H117-M151 PolarHBondContact CE1-SD 3.48Å
118	R	88.3	Confident	90.5	Very high	191 Å²	191	66.9 Å²	66.9	72%	0.721	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	21.7	179.6	-63.1	-164.9	-66.4	-177.8	-1.2	112.6	A116 I239	A116-R118 PolarHBondContact O-N 3.24Å; R118-I239 PolarHBondContact O-N 3.22Å
119	K	92.9	Very high	91.7	Very high	22 Å²	22	67 Å²	67	10%	0.096	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.9	178	-66	180	174.9	-170.3	0	110.7	A116 Y121 T146 E152 E236 Y237	A116-K119 PolarHBondContact N-O 3.01Å; A116-K119 PolarHBondContact O-N 3.46Å; K119-Y121 HydrophobicContact CB-CE2 4.2Å; K119-Y121 HydrophobicContact CD-CE1 4.32Å; K119-Y121 VanDerWaalsContact CD-OH 3.26Å; K119-Y121 WeakPolarHBondContact CD-OH 3.35Å; K119-T146 PolarHBondContact NZ-O 3.41Å; K119-E152 WeakPolarHBondContact CE-OE1 3.26Å; K119-E152 IonicContact NZ-OE1 2.65Å; K119-E152 PolarHBondContact NZ-OE1 2.87Å; K119-E152 IonicContact NZ-OE2 3.2Å; K119-E152 PolarHBondContact NZ-OE2 3.32Å; K119-E236 IonicContact NZ-OE1 3.48Å; K119-E236 PolarHBondContact NZ-OE1 3.39Å; K119-E236 IonicContact NZ-OE2 3.55Å; K119-E236 PolarHBondContact NZ-OE2 3.28Å; K119-Y237 CarbonylContact C-O 3.59Å; K119-Y237 VanDerWaalsContact CA-O 3.27Å; K119-Y237 WeakPolarHBondContact CA-O 3.4Å
120	C	94.4	Very high	92.7	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.007	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.3	161.4	-65.8	0	0	0	0	110	V109 C110 I114 E236 Y237	V109-C120 HydrophobicContact CG1-CB 4.32Å; C110-C120 HydrophobicContact CB-CB 3.92Å; C110-C120 WeakPolarHBondContact CB-SG 3.4Å; C110-C120 WeakPolarHBondContact SG-CB 3.3Å; C110-C120 CovalentContact SG-SG 2Å; C110-C120 PolarHBondContact SG-SG 2.81Å; I114-C120 CarbonylContact O-C 3.58Å; I114-C120 WeakPolarHBondContact O-CA 3.18Å; C120-E236 CarbonylContact O-C 3.54Å; C120-E236 VanDerWaalsContact O-CA 3.31Å; C120-E236 WeakPolarHBondContact O-CA 2.96Å; C120-Y237 PolarHBondContact N-O 3.22Å; C120-Y237 PolarHBondContact O-N 3.37Å
121	Y	95.8	Very high	93.4	Very high	2 Å²	2	70.7 Å²	70.7	1%	0.008	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.8	178.4	-60.4	-74	0	0	0	109.7	G113 I114 A116 K119 A145 V156 I234 C235 E236	G113-Y121 CarbonylContact C-O 3.41Å; G113-Y121 WeakPolarHBondContact CA-O 3.47Å; I114-Y121 HydrophobicContact CD1-CD2 4.02Å; I114-Y121 HydrophobicContact CG1-CD2 4.14Å; I114-Y121 PolarHBondContact N-O 2.88Å; I114-Y121 PolarHBondContact O-N 3.39Å; A116-Y121 HydrophobicContact CB-CD2 4.42Å; A116-Y121 HydrophobicContact CB-CE2 4.05Å; K119-Y121 HydrophobicContact CB-CE2 4.2Å; K119-Y121 HydrophobicContact CD-CE1 4.32Å; K119-Y121 VanDerWaalsContact CD-OH 3.26Å; K119-Y121 WeakPolarHBondContact CD-OH 3.35Å; Y121-A145 HydrophobicContact CD1-CB 4Å; Y121-A145 HydrophobicContact CE1-CB 4.08Å; Y121-V156 HydrophobicContact CD1-CG2 3.86Å; Y121-V156 HydrophobicContact CD2-CG2 4.37Å; Y121-V156 HydrophobicContact CE1-CG2 3.58Å; Y121-V156 HydrophobicContact CE2-CG2 4.12Å; Y121-V156 HydrophobicContact CG-CG2 4.24Å; Y121-I234 HydrophobicContact CD1-CG2 4.27Å; Y121-C235 CarbonylContact C-O 3.32Å; Y121-C235 VanDerWaalsContact CA-O 3.26Å; Y121-C235 WeakPolarHBondContact CA-O 3.3Å; Y121-E236 HydrophobicContact CD1-CB 3.69Å; Y121-E236 HydrophobicContact CE1-CB 3.57Å
122	L	95.6	Very high	94.2	Very high	21 Å²	21	68.6 Å²	68.6	11%	0.11	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.3	176.7	-176.8	66.1	0	0	0	109.8	V109 R112 I234 C235 Y237	V109-L122 HydrophobicContact CG1-CB 3.9Å; V109-L122 HydrophobicContact CG1-CD2 4.28Å; R112-L122 HydrophobicContact CB-CD1 3.78Å; L122-I234 CarbonylContact O-C 3.55Å; L122-I234 WeakPolarHBondContact O-CA 3.4Å; L122-C235 PolarHBondContact N-O 3.35Å; L122-C235 PolarHBondContact O-N 3.18Å; L122-Y237 HydrophobicContact CB-CE2 3.97Å
123	L	95.8	Very high	94.7	Very high	16 Å²	16	59.1 Å²	59.1	8%	0.084	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.7	176.8	-178.7	148.5	0	0	0	109.9	E125 Y159 A160 T164 F170 I234	L123-E125 HydrophobicContact CD2-CB 4.47Å; L123-E125 HydrophobicContact CD2-CG 3.58Å; L123-Y159 HydrophobicContact CB-CE1 3.67Å; L123-Y159 PolarHBondContact N-OH 2.86Å; L123-A160 HydrophobicContact CD1-CB 4.44Å; L123-T164 HydrophobicContact CD1-CG2 3.81Å; L123-T164 HydrophobicContact CD2-CG2 3.58Å; L123-T164 HydrophobicContact CG-CG2 4.38Å; L123-F170 HydrophobicContact CD1-CD1 4.29Å; L123-F170 HydrophobicContact CD1-CE1 3.65Å; L123-F170 HydrophobicContact CD1-CZ 4.34Å; L123-F170 HydrophobicContact CG-CE1 4.45Å; L123-I234 HydrophobicContact CB-CG1 4.26Å; L123-I234 HydrophobicContact CD1-CG1 4.37Å; L123-I234 HydrophobicContact CG-CG1 4.34Å
124	N	95.8	Very high	94.9	Very high	26 Å²	26	59.4 Å²	59.4	14%	0.139	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.3	169.5	-70.6	-72.9	0	0	0	109.6	Q140 Y233 C235	N124-Q140 PolarHBondContact OD1-NE2 3.31Å; N124-Y233 HydrophobicContact CB-CD1 4.26Å; N124-Y233 HydrophobicContact CB-CD2 3.96Å; N124-Y233 HydrophobicContact CB-CE1 3.81Å; N124-Y233 HydrophobicContact CB-CE2 3.49Å; N124-Y233 VanDerWaalsContact CB-CE2 3.49Å; N124-Y233 HydrophobicContact CB-CG 4.31Å; N124-Y233 PolarHBondContact N-O 3.38Å; N124-Y233 VanDerWaalsContact ND2-CE2 3.29Å; N124-Y233 WeakPolarHBondContact ND2-CE2 3.35Å; N124-C235 PolarHBondContact ND2-SG 3.23Å
125	E	92.7	Very high	95.1	Very high	127 Å²	127	63.6 Å²	63.6	59%	0.593	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	-25.7	-172.3	-74.3	-165.1	-160.2	0	0	114.4	L123 P127 T164 K232	L123-E125 HydrophobicContact CD2-CB 4.47Å; L123-E125 HydrophobicContact CD2-CG 3.58Å; E125-P127 VanDerWaalsContact O-CD 3.3Å; E125-P127 WeakPolarHBondContact O-CD 3.33Å; E125-T164 HydrophobicContact CG-CG2 4.37Å; E125-K232 WeakPolarHBondContact O-CD 3.32Å; E125-K232 WeakPolarHBondContact O-CE 3.42Å; E125-K232 WeakPolarHBondContact O-CG 3.21Å; E125-K232 PolarHBondContact O-NZ 2.87Å; E125-K232 IonicContact OE2-NZ 3.01Å
126	E	95.6	Very high	95.4	Very high	133 Å²	133	59.3 Å²	59.3	62%	0.621	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	117.9	178.9	-172	176.2	-170.4	0	0	109.4	K128 Y233	E126-K128 PolarHBondContact O-N 3.14Å; E126-Y233 VanDerWaalsContact O-CE1 3.28Å; E126-Y233 WeakPolarHBondContact O-CE1 3.43Å
127	P	97.2	Very high	95.6	Very high	63 Å²	63	58.8 Å²	58.8	41%	0.409	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	134.9	178.6	-20.1	34.2	0	0	0	111.3	E125 L230 K231 K232	E125-P127 VanDerWaalsContact O-CD 3.3Å; E125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-L230 HydrophobicContact CB-CB 4.05Å; P127-K231 VanDerWaalsContact CA-O 3.3Å; P127-K231 WeakPolarHBondContact CA-O 3.38Å; P127-K232 HydrophobicContact CG-CG 4.2Å
128	K	98.4	Very high	96	Very high	39 Å²	39	56 Å²	56	17%	0.17	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	163.8	178	-67.9	-172.3	-173.3	-171.7	0	111.5	E126 E132 A133 D136 W171 K231 Y233	E126-K128 PolarHBondContact O-N 3.14Å; K128-E132 HydrophobicContact CB-CB 4.04Å; K128-E132 HydrophobicContact CD-CB 4.25Å; K128-A133 HydrophobicContact CB-CB 4.17Å; K128-D136 HydrophobicContact CD-CB 4.41Å; K128-D136 IonicContact NZ-OD1 2.85Å; K128-D136 PolarHBondContact NZ-OD1 3.06Å; K128-W171 PolarHBondContact O-NE1 2.84Å; K128-K231 PolarHBondContact N-O 2.9Å; K128-K231 PolarHBondContact O-N 3.08Å; K128-Y233 HydrophobicContact CB-CD1 4.35Å; K128-Y233 HydrophobicContact CB-CE1 3.89Å; K128-Y233 HydrophobicContact CD-CE1 3.83Å; K128-Y233 WeakPolarHBondContact CD-OH 3.36Å; K128-Y233 WeakPolarHBondContact CE-OH 3.25Å; K128-Y233 HydrophobicContact CG-CE1 3.81Å
129	H	98.3	Very high	96.2	Very high	63 Å²	63	51.1 Å²	51.1	29%	0.292	26%	0.263	S	S	.	.			trans	-66.6	156.3	166.3	-61.2	-43.7	0	0	0	110.1	H131 E132 A133 R228 S229	H129-H131 VanDerWaalsContact C-N 3.3Å; H129-H131 PolarHBondContact O-N 2.8Å; H129-E132 HydrophobicContact CB-CB 4.5Å; H129-E132 HydrophobicContact CB-CG 4.32Å; H129-E132 IonicContact CD2-OE1 3.79Å; H129-E132 IonicContact CD2-OE2 2.73Å; H129-E132 PolarHBondContact CD2-OE2 3.03Å; H129-E132 IonicContact CG-OE2 2.82Å; H129-E132 PolarHBondContact N-OE2 3.28Å; H129-E132 PolarHBondContact O-N 3.03Å; H129-E132 VanDerWaalsContact O-N 3.17Å; H129-A133 WeakPolarHBondContact O-CB 3.15Å; H129-A133 PolarHBondContact O-N 2.83Å; H129-R228 PolarHBondContact CE1-O 3.25Å; H129-R228 VanDerWaalsContact ND1-C 3.3Å; H129-R228 PolarHBondContact ND1-O 3.38Å; H129-S229 PolarHBondContact ND1-O 3.02Å
130	Y	98.1	Very high	96	Very high	11 Å²	11	53.7 Å²	53.7	4%	0.043	28%	0.276	C	S	.	.	H	α-helix	trans	-54.2	-45.3	-174.1	178.9	-89.1	0	0	0	113.1	A133 N134 L144 W171 I172 V174 A175 I177 C211 C227	Y130-A133 PolarHBondContact O-N 3.2Å; Y130-N134 PolarHBondContact O-N 3.24Å; Y130-L144 HydrophobicContact CD2-CD1 4.32Å; Y130-L144 HydrophobicContact CE2-CD1 3.94Å; Y130-W171 HydrophobicContact CD2-CB 4.44Å; Y130-W171 AromaticContact CD2-CD2 3.99Å; Y130-W171 HydrophobicContact CD2-CD2 3.99Å; Y130-W171 AromaticContact CD2-CE3 3.84Å; Y130-W171 HydrophobicContact CD2-CE3 3.84Å; Y130-W171 HydrophobicContact CD2-CG 4.28Å; Y130-W171 HydrophobicContact CD2-CZ3 4.37Å; Y130-I172 VanDerWaalsContact CE2-O 3.26Å; Y130-I172 WeakPolarHBondContact CE2-O 3.27Å; Y130-V174 PolarHBondContact OH-N 2.83Å; Y130-A175 HydrophobicContact CE1-CB 4.12Å; Y130-I177 HydrophobicContact CD1-CD1 4.41Å; Y130-I177 HydrophobicContact CE1-CD1 4.28Å; Y130-C211 VanDerWaalsContact CB-SG 3.56Å; Y130-C211 HydrophobicContact CD1-CB 4.47Å; Y130-C211 WeakPolarHBondContact CD1-SG 3.47Å; Y130-C211 HydrophobicContact CD2-CB 3.62Å; Y130-C211 HydrophobicContact CE2-CB 4.11Å; Y130-C211 HydrophobicContact CG-CB 3.82Å; Y130-C227 PolarHBondContact N-O 3.45Å
131	H	97.1	Very high	95.8	Very high	102 Å²	102	56.8 Å²	56.8	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-67.9	-43.6	-178.2	-67	69.2	0	0	0	111.1	H129 A133 N134 E135	H129-H131 VanDerWaalsContact C-N 3.3Å; H129-H131 PolarHBondContact O-N 2.8Å; H131-A133 VanDerWaalsContact C-N 3.34Å; H131-A133 PolarHBondContact O-N 3.29Å; H131-N134 WeakPolarHBondContact O-CB 3.42Å; H131-N134 PolarHBondContact O-N 3.21Å; H131-E135 WeakPolarHBondContact O-CG 3.36Å; H131-E135 PolarHBondContact O-N 3.12Å
132	E	98.3	Very high	95.6	Very high	101 Å²	101	57.2 Å²	57.2	47%	0.472	31%	0.312	S	S	.	.	H	α-helix	trans	-63.7	-39.4	176.3	-66.4	170.7	175.9	0	0	112	K128 H129 N134 E135 D136	K128-E132 HydrophobicContact CB-CB 4.04Å; K128-E132 HydrophobicContact CD-CB 4.25Å; H129-E132 HydrophobicContact CB-CB 4.5Å; H129-E132 HydrophobicContact CB-CG 4.32Å; H129-E132 IonicContact CD2-OE1 3.79Å; H129-E132 IonicContact CD2-OE2 2.73Å; H129-E132 PolarHBondContact CD2-OE2 3.03Å; H129-E132 IonicContact CG-OE2 2.82Å; H129-E132 PolarHBondContact N-OE2 3.28Å; H129-E132 PolarHBondContact O-N 3.03Å; H129-E132 VanDerWaalsContact O-N 3.17Å; E132-N134 VanDerWaalsContact C-N 3.33Å; E132-E135 PolarHBondContact O-N 3.18Å; E132-D136 WeakPolarHBondContact O-CB 3.47Å; E132-D136 PolarHBondContact O-N 3.45Å
133	A	98.4	Very high	95.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-39.9	174.7	0	0	0	0	0	111.7	K128 H129 Y130 H131 C137 L144 Y233	K128-A133 HydrophobicContact CB-CB 4.17Å; H129-A133 WeakPolarHBondContact O-CB 3.15Å; H129-A133 PolarHBondContact O-N 2.83Å; Y130-A133 PolarHBondContact O-N 3.2Å; H131-A133 VanDerWaalsContact C-N 3.34Å; H131-A133 PolarHBondContact O-N 3.29Å; A133-C137 PolarHBondContact O-N 3.45Å; A133-C137 VanDerWaalsContact O-N 3.09Å; A133-C137 PolarHBondContact O-SG 3.46Å; A133-C137 VanDerWaalsContact O-SG 3.41Å; A133-L144 HydrophobicContact CB-CD2 4.16Å; A133-Y233 HydrophobicContact CB-CD1 3.59Å; A133-Y233 HydrophobicContact CB-CD2 3.85Å; A133-Y233 HydrophobicContact CB-CE1 4.01Å; A133-Y233 HydrophobicContact CB-CE2 4.23Å; A133-Y233 HydrophobicContact CB-CG 3.53Å
134	N	97.5	Very high	95.8	Very high	21 Å²	21	56.6 Å²	56.6	11%	0.112	31%	0.31	C	S	.	.	H	α-helix	trans	-64.5	-51	175.2	-171.8	54.6	0	0	0	112.2	Y130 H131 E132 D136 C137 I138 L144 V186	Y130-N134 PolarHBondContact O-N 3.24Å; H131-N134 WeakPolarHBondContact O-CB 3.42Å; H131-N134 PolarHBondContact O-N 3.21Å; E132-N134 VanDerWaalsContact C-N 3.33Å; N134-D136 PolarHBondContact O-N 3.43Å; N134-C137 PolarHBondContact O-N 3.1Å; N134-I138 WeakPolarHBondContact O-CG1 3.47Å; N134-I138 PolarHBondContact O-N 3.3Å; N134-L144 HydrophobicContact CB-CD1 3.74Å; N134-L144 HydrophobicContact CB-CG 4.25Å; N134-V186 WeakPolarHBondContact OD1-CB 3.4Å; N134-V186 WeakPolarHBondContact OD1-CG1 3.41Å
135	E	97.4	Very high	95.9	Very high	119 Å²	119	55.3 Å²	55.3	56%	0.556	30%	0.304	S	S	*	.	H	α-helix	trans	-59.7	-37.2	177.3	-67.9	-53.2	128.4	0	0	111.8	H131 E132 I138 A139	H131-E135 WeakPolarHBondContact O-CG 3.36Å; H131-E135 PolarHBondContact O-N 3.12Å; E132-E135 PolarHBondContact O-N 3.18Å; E135-I138 PolarHBondContact O-N 3.25Å; E135-A139 WeakPolarHBondContact O-CB 3.39Å; E135-A139 PolarHBondContact O-N 3.33Å
136	D	97.1	Very high	96.1	Very high	36 Å²	36	49.3 Å²	49.3	19%	0.193	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-44.4	176.6	-170.4	88.3	0	0	0	112.2	K128 E132 N134 I138 A139 Q140 Y233	K128-D136 HydrophobicContact CD-CB 4.41Å; K128-D136 IonicContact NZ-OD1 2.85Å; K128-D136 PolarHBondContact NZ-OD1 3.06Å; E132-D136 WeakPolarHBondContact O-CB 3.47Å; E132-D136 PolarHBondContact O-N 3.45Å; N134-D136 PolarHBondContact O-N 3.43Å; D136-I138 VanDerWaalsContact C-N 3.32Å; D136-I138 PolarHBondContact O-N 2.94Å; D136-A139 PolarHBondContact O-N 3.49Å; D136-Q140 WeakPolarHBondContact O-CG 3.13Å; D136-Q140 PolarHBondContact O-N 2.84Å; D136-Q140 VanDerWaalsContact O-N 3.1Å; D136-Q140 PolarHBondContact OD2-NE2 2.81Å; D136-Y233 HydrophobicContact CB-CE2 4.09Å; D136-Y233 WeakPolarHBondContact OD2-CE2 3.39Å; D136-Y233 PolarHBondContact OD2-OH 2.84Å
137	C	96.5	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-40.7	173.8	-69	0	0	0	0	112.2	A133 N134 Q140 G141 G142 T143 C235	A133-C137 PolarHBondContact O-N 3.45Å; A133-C137 VanDerWaalsContact O-N 3.09Å; A133-C137 PolarHBondContact O-SG 3.46Å; A133-C137 VanDerWaalsContact O-SG 3.41Å; N134-C137 PolarHBondContact O-N 3.1Å; C137-Q140 PolarHBondContact O-N 3.33Å; C137-G141 PolarHBondContact O-N 2.85Å; C137-G142 CarbonylContact C-O 3.23Å; C137-G142 CarbonylContact O-C 3.54Å; C137-G142 WeakPolarHBondContact O-CA 3.44Å; C137-G142 PolarHBondContact O-N 2.03Å; C137-T143 VanDerWaalsContact CB-C 3.47Å; C137-C235 WeakPolarHBondContact CA-SG 3.38Å; C137-C235 HydrophobicContact CB-CB 3.77Å; C137-C235 WeakPolarHBondContact CB-SG 3.26Å; C137-C235 WeakPolarHBondContact SG-CA 3.33Å; C137-C235 WeakPolarHBondContact SG-CB 3.25Å; C137-C235 CovalentContact SG-SG 2.03Å; C137-C235 PolarHBondContact SG-SG 3.21Å
138	I	95.2	Very high	96.1	Very high	82 Å²	82	44.1 Å²	44.1	42%	0.421	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-45.4	176.8	-68	166.1	0	0	0	110.7	N134 E135 D136 Q140 G141 G142	N134-I138 WeakPolarHBondContact O-CG1 3.47Å; N134-I138 PolarHBondContact O-N 3.3Å; E135-I138 PolarHBondContact O-N 3.25Å; D136-I138 VanDerWaalsContact C-N 3.32Å; D136-I138 PolarHBondContact O-N 2.94Å; I138-Q140 PolarHBondContact O-N 3.22Å; I138-G141 PolarHBondContact O-N 2.9Å; I138-G142 VanDerWaalsContact CA-O 3.3Å; I138-G142 WeakPolarHBondContact CA-O 3.29Å; I138-G142 PolarHBondContact N-O 3.24Å
139	A	92.4	Very high	96.1	Very high	89 Å²	89	45.5 Å²	45.5	74%	0.736	25%	0.251	S	S	*	.	H	α-helix	trans	-61.2	-29.4	177.4	0	0	0	0	0	112.6	E135 D136 G141	E135-A139 WeakPolarHBondContact O-CB 3.39Å; E135-A139 PolarHBondContact O-N 3.33Å; D136-A139 PolarHBondContact O-N 3.49Å; A139-G141 VanDerWaalsContact C-N 3.29Å
140	Q	89.6	Confident	96	Very high	76 Å²	76	46.4 Å²	46.4	36%	0.355	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.6	174.1	-64.2	-174.8	53.4	0	0	113.7	N124 D136 C137 I138 Y237	N124-Q140 PolarHBondContact OD1-NE2 3.31Å; D136-Q140 WeakPolarHBondContact O-CG 3.13Å; D136-Q140 PolarHBondContact O-N 2.84Å; D136-Q140 VanDerWaalsContact O-N 3.1Å; D136-Q140 PolarHBondContact OD2-NE2 2.81Å; C137-Q140 PolarHBondContact O-N 3.33Å; I138-Q140 PolarHBondContact O-N 3.22Å; Q140-Y237 HydrophobicContact CB-CE1 4.36Å; Q140-Y237 VanDerWaalsContact CB-OH 3.29Å; Q140-Y237 WeakPolarHBondContact CB-OH 3.37Å; Q140-Y237 WeakPolarHBondContact O-CE1 3.42Å; Q140-Y237 PolarHBondContact OE1-OH 3.32Å
141	G	88.9	Confident	96	Very high	66 Å²	66	50.9 Å²	50.9	68%	0.68	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	19.4	-179.3	0	0	0	0	0	114.6	C137 I138 A139	C137-G141 PolarHBondContact O-N 2.85Å; I138-G141 PolarHBondContact O-N 2.9Å; A139-G141 VanDerWaalsContact C-N 3.29Å
142	G	92.7	Very high	96	Very high	10 Å²	10	47.9 Å²	47.9	10%	0.103	27%	0.265	C	S	.	.			trans	-129.5	-157.5	177.2	0	0	0	0	0	112	C137 I138 E236	C137-G142 CarbonylContact C-O 3.23Å; C137-G142 CarbonylContact O-C 3.54Å; C137-G142 WeakPolarHBondContact O-CA 3.44Å; C137-G142 PolarHBondContact O-N 2.03Å; I138-G142 VanDerWaalsContact CA-O 3.3Å; I138-G142 WeakPolarHBondContact CA-O 3.29Å; I138-G142 PolarHBondContact N-O 3.24Å; G142-E236 CarbonylContact C-O 3.41Å; G142-E236 WeakPolarHBondContact CA-O 3.35Å
143	T	96.6	Very high	96	Very high	24 Å²	24	43 Å²	43	15%	0.147	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	165.8	177.4	47.6	0	0	0	0	109.7	C137 A145 V186 C235 E236	C137-T143 VanDerWaalsContact CB-C 3.47Å; T143-A145 PolarHBondContact O-N 2.98Å; T143-V186 HydrophobicContact CG2-CG2 3.67Å; T143-C235 CarbonylContact O-C 3.48Å; T143-C235 WeakPolarHBondContact O-CA 3.28Å; T143-E236 PolarHBondContact N-O 3.34Å; T143-E236 PolarHBondContact O-N 3.48Å; T143-E236 WeakPolarHBondContact OG1-CG 3.09Å
144	L	97.9	Very high	96	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	137	168.8	-78.4	169.7	0	0	0	110.4	Y130 A133 N134 T146 W171 G173 V186 Y233	Y130-L144 HydrophobicContact CD2-CD1 4.32Å; Y130-L144 HydrophobicContact CE2-CD1 3.94Å; A133-L144 HydrophobicContact CB-CD2 4.16Å; N134-L144 HydrophobicContact CB-CD1 3.74Å; N134-L144 HydrophobicContact CB-CG 4.25Å; L144-T146 PolarHBondContact O-N 3.4Å; L144-T146 PolarHBondContact O-OG1 3.01Å; L144-W171 HydrophobicContact CD2-CB 4.37Å; L144-G173 VanDerWaalsContact CB-CA 3.44Å; L144-V186 HydrophobicContact CB-CG1 4.03Å; L144-Y233 HydrophobicContact CD2-CD2 4Å; L144-Y233 HydrophobicContact CD2-CG 4.23Å
145	A	97.8	Very high	95.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.265	C	S	.	.			trans	-56	123.3	-179.5	0	0	0	0	0	110.4	Y121 T143 V156 I172 G173 I234 E236	Y121-A145 HydrophobicContact CD1-CB 4Å; Y121-A145 HydrophobicContact CE1-CB 4.08Å; T143-A145 PolarHBondContact O-N 2.98Å; A145-V156 HydrophobicContact CB-CG2 4.42Å; A145-I172 CarbonylContact O-C 3.49Å; A145-I172 VanDerWaalsContact O-CA 3.29Å; A145-I172 WeakPolarHBondContact O-CA 3.26Å; A145-I172 VanDerWaalsContact O-CB 3.28Å; A145-I172 WeakPolarHBondContact O-CB 3.46Å; A145-G173 PolarHBondContact O-N 3.41Å; A145-I234 HydrophobicContact CB-CB 4.07Å; A145-I234 HydrophobicContact CB-CG2 3.95Å; A145-I234 VanDerWaalsContact CB-O 3.26Å; A145-I234 WeakPolarHBondContact CB-O 3.34Å; A145-I234 PolarHBondContact N-O 3.22Å; A145-E236 HydrophobicContact CB-CB 4.22Å
146	T	97.8	Very high	95.9	Very high	1 Å²	1	42 Å²	42	1%	0.006	24%	0.239	C	C	.	.			trans	-127	85.6	-175	-55.7	0	0	0	0	108	K119 L144 R148 G173 V174 D185 E236	K119-T146 PolarHBondContact NZ-O 3.41Å; L144-T146 PolarHBondContact O-N 3.4Å; L144-T146 PolarHBondContact O-OG1 3.01Å; T146-R148 PolarHBondContact O-N 2.03Å; T146-R148 PolarHBondContact O-NE 3.09Å; T146-G173 WeakPolarHBondContact OG1-CA 3.2Å; T146-G173 PolarHBondContact OG1-O 2.73Å; T146-V174 HydrophobicContact CG2-CG2 3.93Å; T146-D185 HydrophobicContact CG2-CB 3.89Å; T146-E236 PolarHBondContact N-OE2 3.41Å
147	P	97.1	Very high	95.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.			trans	-59.6	126.3	-178.9	-19.9	30.6	0	0	0	110.9	E152 N153 V156 F193 W222	P147-E152 HydrophobicContact CB-CB 4.1Å; P147-N153 HydrophobicContact CB-CB 3.88Å; P147-N153 HydrophobicContact CG-CB 4.41Å; P147-V156 HydrophobicContact CG-CG2 4.33Å; P147-F193 WeakPolarHBondContact O-CD1 3.37Å; P147-W222 HydrophobicContact CB-CZ2 4.07Å; P147-W222 HydrophobicContact CG-CZ2 4.07Å
148	R	95.8	Very high	95.9	Very high	86 Å²	86	45.1 Å²	45.1	33%	0.325	25%	0.252	S	S	.	.			trans	-95.7	-11.2	-177.9	-58.4	-58.8	179.9	156.1	4.3	113.8	T146 E152 D185 F193	T146-R148 PolarHBondContact O-N 2.03Å; T146-R148 PolarHBondContact O-NE 3.09Å; R148-E152 PolarHBondContact N-OE2 3.2Å; R148-D185 IonicContact CZ-OD2 3.32Å; R148-D185 IonicContact NH1-OD2 3.39Å; R148-D185 PolarHBondContact NH1-OD2 2.79Å; R148-D185 IonicContact NH2-OD2 2.81Å; R148-D185 PolarHBondContact NH2-OD2 2.98Å; R148-F193 WeakPolarHBondContact O-CB 3.23Å
149	D	96.9	Very high	96	Very high	69 Å²	69	41.8 Å²	41.8	37%	0.369	23%	0.234	S	C	.	.	S	Bend	trans	-154.2	179.6	175	62	46.6	0	0	0	111.3	M151 E152 N153 F193	D149-M151 VanDerWaalsContact C-N 3.28Å; D149-M151 PolarHBondContact O-N 2.95Å; D149-M151 WeakPolarHBondContact OD1-CA 3.41Å; D149-M151 VanDerWaalsContact OD1-CB 3.25Å; D149-M151 WeakPolarHBondContact OD1-CB 3.12Å; D149-M151 PolarHBondContact OD1-N 3.23Å; D149-E152 PolarHBondContact OD1-N 3.1Å; D149-N153 WeakPolarHBondContact O-CB 3.45Å; D149-N153 PolarHBondContact O-N 3.19Å; D149-F193 VanDerWaalsContact C-CZ 3.43Å; D149-F193 WeakPolarHBondContact O-CE1 3.35Å
150	M	97.6	Very high	96.1	Very high	82 Å²	82	37.5 Å²	37.5	40%	0.404	20%	0.199	S	C	.	.	H	α-helix	trans	-65.9	-30.8	180	-174.1	61.5	69.6	0	0	112.7	N154 F193	M150-N154 WeakPolarHBondContact O-CB 3.42Å; M150-N154 PolarHBondContact O-N 3.44Å; M150-N154 PolarHBondContact O-ND2 3.47Å; M150-N154 VanDerWaalsContact O-ND2 3.17Å; M150-F193 HydrophobicContact CB-CE2 4.24Å; M150-F193 HydrophobicContact CB-CZ 4.3Å; M150-F193 HydrophobicContact CE-CE2 4.38Å; M150-F193 HydrophobicContact CE-CZ 4.27Å
151	M	97	Very high	96.4	Very high	104 Å²	104	40.6 Å²	40.6	51%	0.512	21%	0.211	S	C	.	.	H	α-helix	trans	-68.8	-52.3	179.3	-172.5	-173.1	-62.4	0	0	109.6	H117 D149 N153 N154 E155	H117-M151 PolarHBondContact CE1-SD 3.48Å; D149-M151 VanDerWaalsContact C-N 3.28Å; D149-M151 PolarHBondContact O-N 2.95Å; D149-M151 WeakPolarHBondContact OD1-CA 3.41Å; D149-M151 VanDerWaalsContact OD1-CB 3.25Å; D149-M151 WeakPolarHBondContact OD1-CB 3.12Å; D149-M151 PolarHBondContact OD1-N 3.23Å; M151-N153 VanDerWaalsContact C-N 3.26Å; M151-N153 PolarHBondContact O-N 2.73Å; M151-N154 PolarHBondContact O-N 3.04Å; M151-N154 VanDerWaalsContact O-N 3.11Å; M151-E155 WeakPolarHBondContact O-CG 3.36Å; M151-E155 PolarHBondContact O-N 2.85Å
152	E	97.4	Very high	96.7	Very high	39 Å²	39	45 Å²	45	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-57	-40.8	174.9	-68.8	-168	171.9	0	0	111.6	K119 P147 R148 D149 N154 E155 V156	K119-E152 WeakPolarHBondContact CE-OE1 3.26Å; K119-E152 IonicContact NZ-OE1 2.65Å; K119-E152 PolarHBondContact NZ-OE1 2.87Å; K119-E152 IonicContact NZ-OE2 3.2Å; K119-E152 PolarHBondContact NZ-OE2 3.32Å; P147-E152 HydrophobicContact CB-CB 4.1Å; R148-E152 PolarHBondContact N-OE2 3.2Å; D149-E152 PolarHBondContact OD1-N 3.1Å; E152-N154 VanDerWaalsContact C-N 3.33Å; E152-N154 PolarHBondContact O-N 2.82Å; E152-E155 PolarHBondContact O-N 2.8Å; E152-V156 WeakPolarHBondContact O-CG2 3.33Å; E152-V156 PolarHBondContact O-N 3.39Å
153	N	98.2	Very high	96.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-41.2	178	-177.9	85.8	0	0	0	112.2	P147 D149 M151 R157 F193 N195 L214 G220 W222	P147-N153 HydrophobicContact CB-CB 3.88Å; P147-N153 HydrophobicContact CG-CB 4.41Å; D149-N153 WeakPolarHBondContact O-CB 3.45Å; D149-N153 PolarHBondContact O-N 3.19Å; M151-N153 VanDerWaalsContact C-N 3.26Å; M151-N153 PolarHBondContact O-N 2.73Å; N153-R157 VanDerWaalsContact O-CB 3.3Å; N153-R157 WeakPolarHBondContact O-CB 3.38Å; N153-R157 PolarHBondContact O-N 3.12Å; N153-F193 HydrophobicContact CB-CE1 4.02Å; N153-F193 HydrophobicContact CB-CZ 4.24Å; N153-N195 PolarHBondContact ND2-ND2 3.02Å; N153-L214 WeakPolarHBondContact OD1-CD1 3.07Å; N153-G220 PolarHBondContact ND2-O 2.82Å; N153-G220 PolarHBondContact OD1-O 3.25Å; N153-W222 PolarHBondContact OD1-NE1 3.37Å
154	N	97.6	Very high	96.4	Very high	48 Å²	48	46 Å²	46	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-66.5	-40.1	177.4	-71.7	-25.2	0	0	0	111.4	M150 M151 E152 R157 D158	M150-N154 WeakPolarHBondContact O-CB 3.42Å; M150-N154 PolarHBondContact O-N 3.44Å; M150-N154 PolarHBondContact O-ND2 3.47Å; M150-N154 VanDerWaalsContact O-ND2 3.17Å; M151-N154 PolarHBondContact O-N 3.04Å; M151-N154 VanDerWaalsContact O-N 3.11Å; E152-N154 VanDerWaalsContact C-N 3.33Å; E152-N154 PolarHBondContact O-N 2.82Å; N154-R157 PolarHBondContact O-N 2.93Å; N154-R157 PolarHBondContact OD1-NH1 2Å; N154-D158 VanDerWaalsContact O-CB 3.28Å; N154-D158 WeakPolarHBondContact O-CB 3.04Å; N154-D158 PolarHBondContact O-N 3.33Å
155	E	97.3	Very high	95.9	Very high	68 Å²	68	51.4 Å²	51.4	32%	0.318	25%	0.248	S	C	.	.	H	α-helix	trans	-60.2	-49	175.6	-67.7	-64.7	169	0	0	111.7	A116 M151 E152 R157 D158 Y159	A116-E155 HydrophobicContact CB-CB 4.13Å; A116-E155 HydrophobicContact CB-CG 3.88Å; M151-E155 WeakPolarHBondContact O-CG 3.36Å; M151-E155 PolarHBondContact O-N 2.85Å; E152-E155 PolarHBondContact O-N 2.8Å; E155-R157 PolarHBondContact O-N 2.87Å; E155-D158 PolarHBondContact O-N 2.73Å; E155-Y159 VanDerWaalsContact O-CB 3.28Å; E155-Y159 WeakPolarHBondContact O-CB 3.44Å; E155-Y159 PolarHBondContact O-N 3.1Å
156	V	97.2	Very high	95.4	Very high	2 Å²	2	55 Å²	55	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-46	177.1	174	0	0	0	0	111	Y121 A145 P147 E152 A160 L214 I234	Y121-V156 HydrophobicContact CD1-CG2 3.86Å; Y121-V156 HydrophobicContact CD2-CG2 4.37Å; Y121-V156 HydrophobicContact CE1-CG2 3.58Å; Y121-V156 HydrophobicContact CE2-CG2 4.12Å; Y121-V156 HydrophobicContact CG-CG2 4.24Å; A145-V156 HydrophobicContact CB-CG2 4.42Å; P147-V156 HydrophobicContact CG-CG2 4.33Å; E152-V156 WeakPolarHBondContact O-CG2 3.33Å; E152-V156 PolarHBondContact O-N 3.39Å; V156-A160 WeakPolarHBondContact O-CB 3.43Å; V156-A160 PolarHBondContact O-N 3.48Å; V156-L214 HydrophobicContact CG1-CD1 4.24Å; V156-I234 HydrophobicContact CG1-CD1 3.7Å
157	R	97.2	Very high	95.1	Very high	52 Å²	52	57.8 Å²	57.8	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-58.5	-50.3	176.7	177.6	-159.2	68.3	-146.2	-9.9	111.6	N153 N154 E155 Y159 A160 K161 L214 L216 Q219	N153-R157 VanDerWaalsContact O-CB 3.3Å; N153-R157 WeakPolarHBondContact O-CB 3.38Å; N153-R157 PolarHBondContact O-N 3.12Å; N154-R157 PolarHBondContact O-N 2.93Å; N154-R157 PolarHBondContact OD1-NH1 2Å; E155-R157 PolarHBondContact O-N 2.87Å; R157-Y159 VanDerWaalsContact C-N 3.35Å; R157-A160 PolarHBondContact O-N 3.02Å; R157-K161 WeakPolarHBondContact O-CB 3.29Å; R157-K161 PolarHBondContact O-N 3.42Å; R157-L214 HydrophobicContact CB-CD2 4.46Å; R157-L216 HydrophobicContact CB-CD2 4.4Å; R157-L216 HydrophobicContact CG-CD2 3.69Å; R157-L216 WeakPolarHBondContact O-CD2 3.26Å; R157-Q219 VanDerWaalsContact CD-C 3.44Å; R157-Q219 VanDerWaalsContact CD-O 3.28Å; R157-Q219 WeakPolarHBondContact CD-O 3.3Å
158	D	96.3	Very high	94.9	Very high	49 Å²	49	64.7 Å²	64.7	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-71	-35.1	-172.7	-69.2	-20.4	0	0	0	111.4	N154 E155 R162	N154-D158 VanDerWaalsContact O-CB 3.28Å; N154-D158 WeakPolarHBondContact O-CB 3.04Å; N154-D158 PolarHBondContact O-N 3.33Å; E155-D158 PolarHBondContact O-N 2.73Å; D158-R162 WeakPolarHBondContact O-CG 3.14Å; D158-R162 PolarHBondContact O-N 2.75Å; D158-R162 PolarHBondContact O-NH1 3.36Å
159	Y	95.9	Very high	94.9	Very high	12 Å²	12	62.1 Å²	62.1	5%	0.047	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-55.2	168.9	175.3	-128.6	0	0	0	111.8	G113 I114 L123 E155 R157 K161 R162 S163 I234	G113-Y159 WeakPolarHBondContact CA-OH 3.23Å; I114-Y159 HydrophobicContact CB-CD2 4.24Å; I114-Y159 HydrophobicContact CD1-CD1 4.48Å; I114-Y159 HydrophobicContact CD1-CD2 4.37Å; I114-Y159 HydrophobicContact CD1-CG 3.93Å; I114-Y159 HydrophobicContact CG1-CD1 4.08Å; I114-Y159 HydrophobicContact CG1-CD2 3.9Å; I114-Y159 HydrophobicContact CG1-CE2 4.4Å; I114-Y159 HydrophobicContact CG1-CG 3.73Å; I114-Y159 HydrophobicContact CG2-CD2 3.4Å; I114-Y159 VanDerWaalsContact CG2-CD2 3.4Å; I114-Y159 HydrophobicContact CG2-CE2 3.78Å; I114-Y159 HydrophobicContact CG2-CG 4.11Å; L123-Y159 HydrophobicContact CB-CE1 3.67Å; L123-Y159 PolarHBondContact N-OH 2.86Å; E155-Y159 VanDerWaalsContact O-CB 3.28Å; E155-Y159 WeakPolarHBondContact O-CB 3.44Å; E155-Y159 PolarHBondContact O-N 3.1Å; R157-Y159 VanDerWaalsContact C-N 3.35Å; Y159-K161 VanDerWaalsContact C-N 3.26Å; Y159-K161 PolarHBondContact O-N 3.02Å; Y159-R162 PolarHBondContact O-N 3.04Å; Y159-R162 VanDerWaalsContact O-N 3.08Å; Y159-S163 WeakPolarHBondContact CD2-OG 3.27Å; Y159-S163 WeakPolarHBondContact CE2-OG 3.41Å; Y159-S163 WeakPolarHBondContact O-CB 3.19Å; Y159-S163 PolarHBondContact O-N 3.31Å; Y159-S163 PolarHBondContact O-OG 3.17Å; Y159-I234 HydrophobicContact CD1-CD1 4.48Å; Y159-I234 HydrophobicContact CD1-CG2 4.43Å; Y159-I234 HydrophobicContact CE1-CG2 4.35Å
160	A	95.8	Very high	94.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.3	-39.8	-178.4	0	0	0	0	0	112.5	L123 V156 R157 R162 S163 T164 F170 L216 I234	L123-A160 HydrophobicContact CD1-CB 4.44Å; V156-A160 WeakPolarHBondContact O-CB 3.43Å; V156-A160 PolarHBondContact O-N 3.48Å; R157-A160 PolarHBondContact O-N 3.02Å; A160-R162 PolarHBondContact O-N 3.28Å; A160-S163 PolarHBondContact O-N 3.43Å; A160-T164 PolarHBondContact O-N 2.91Å; A160-T164 PolarHBondContact O-OG1 2.76Å; A160-F170 HydrophobicContact CB-CD2 4.01Å; A160-F170 HydrophobicContact CB-CE1 4.3Å; A160-F170 HydrophobicContact CB-CE2 3.76Å; A160-F170 HydrophobicContact CB-CG 4.44Å; A160-F170 HydrophobicContact CB-CZ 3.9Å; A160-L216 HydrophobicContact CB-CD1 4.27Å; A160-L216 HydrophobicContact CB-CD2 4.18Å; A160-I234 HydrophobicContact CB-CD1 3.69Å
161	K	95.4	Very high	95	Very high	140 Å²	140	55 Å²	55	61%	0.609	28%	0.282	S	S	*	.	H	α-helix	trans	-62.4	-40.4	177	-173.4	-178.6	-176.6	-175.5	0	112.8	R157 Y159 L216	R157-K161 WeakPolarHBondContact O-CB 3.29Å; R157-K161 PolarHBondContact O-N 3.42Å; Y159-K161 VanDerWaalsContact C-N 3.26Å; Y159-K161 PolarHBondContact O-N 3.02Å; K161-L216 HydrophobicContact CB-CD1 4.1Å; K161-L216 HydrophobicContact CB-CD2 4.31Å
162	R	94.3	Very high	95	Very high	159 Å²	159	50.1 Å²	50.1	60%	0.6	26%	0.258	S	S	*	.	H	α-helix	trans	-76.3	-39.1	178.1	-70.8	-170.7	-58.5	-91.4	1.5	112.1	D158 Y159 A160	D158-R162 WeakPolarHBondContact O-CG 3.14Å; D158-R162 PolarHBondContact O-N 2.75Å; D158-R162 PolarHBondContact O-NH1 3.36Å; Y159-R162 PolarHBondContact O-N 3.04Å; Y159-R162 VanDerWaalsContact O-N 3.08Å; A160-R162 PolarHBondContact O-N 3.28Å
163	S	92.9	Very high	95.1	Very high	47 Å²	47	48.3 Å²	48.3	33%	0.329	25%	0.25	S	C	.	.	H	α-helix	trans	-77.8	-29.5	-173.8	-68.1	0	0	0	0	113.9	Y159 A160	Y159-S163 WeakPolarHBondContact CD2-OG 3.27Å; Y159-S163 WeakPolarHBondContact CE2-OG 3.41Å; Y159-S163 WeakPolarHBondContact O-CB 3.19Å; Y159-S163 PolarHBondContact O-N 3.31Å; Y159-S163 PolarHBondContact O-OG 3.17Å; A160-S163 PolarHBondContact O-N 3.43Å
164	T	91	Very high	95	Very high	8 Å²	8	48.3 Å²	48.3	5%	0.049	25%	0.25	C	C	.	.	S	Bend	trans	-137.6	78.2	-176.2	46.9	0	0	0	0	112.8	L123 E125 A160 G166 I167 F170 K232	L123-T164 HydrophobicContact CD1-CG2 3.81Å; L123-T164 HydrophobicContact CD2-CG2 3.58Å; L123-T164 HydrophobicContact CG-CG2 4.38Å; E125-T164 HydrophobicContact CG-CG2 4.37Å; A160-T164 PolarHBondContact O-N 2.91Å; A160-T164 PolarHBondContact O-OG1 2.76Å; T164-G166 PolarHBondContact O-N 3Å; T164-I167 HydrophobicContact CG2-CG1 4.48Å; T164-I167 PolarHBondContact O-N 3.11Å; T164-F170 WeakPolarHBondContact OG1-CZ 3.29Å; T164-K232 HydrophobicContact CG2-CD 4.22Å
165	P	86.5	Confident	95	Very high	113 Å²	113	46.3 Å²	46.3	73%	0.734	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	134.6	174	-23.3	34.1	0	0	0	111.7	I167	P165-I167 VanDerWaalsContact C-N 3.29Å; P165-I167 PolarHBondContact O-N 2.95Å
166	G	87.3	Confident	95	Very high	77 Å²	77	43.2 Å²	43.2	79%	0.794	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.8	-13.5	178.1	0	0	0	0	0	115.4	T164	T164-G166 PolarHBondContact O-N 3Å
167	I	91.9	Very high	94.8	Very high	59 Å²	59	46.9 Å²	46.9	30%	0.303	25%	0.245	S	C	.	.			trans	-79.8	139.6	169.8	-56	-59.2	0	0	0	109.2	T164 P165 F170 K232	T164-I167 HydrophobicContact CG2-CG1 4.48Å; T164-I167 PolarHBondContact O-N 3.11Å; P165-I167 VanDerWaalsContact C-N 3.29Å; P165-I167 PolarHBondContact O-N 2.95Å; I167-F170 HydrophobicContact CB-CZ 3.85Å; I167-F170 HydrophobicContact CG2-CE1 3.85Å; I167-F170 HydrophobicContact CG2-CE2 3.91Å; I167-F170 HydrophobicContact CG2-CZ 3.37Å; I167-K232 HydrophobicContact CD1-CD 4.32Å; I167-K232 HydrophobicContact CG1-CD 3.98Å; I167-K232 HydrophobicContact CG2-CD 4.14Å; I167-K232 HydrophobicContact CG2-CG 4.43Å
168	R	93.1	Very high	94.6	Very high	144 Å²	144	51.2 Å²	51.2	54%	0.543	28%	0.276	S	S	.	.			trans	-99.9	-44.4	-171.2	-62.6	-177.5	62	-179.3	0.5	112.7	S215 L216 T217	R168-S215 CarbonylContact O-C 3.57Å; R168-L216 WeakPolarHBondContact O-CB 3.27Å; R168-L216 PolarHBondContact O-N 3Å; R168-T217 HydrophobicContact CB-CG2 4.23Å; R168-T217 HydrophobicContact CG-CG2 3.96Å; R168-T217 PolarHBondContact NH2-OG1 3.48Å
169	D	95.3	Very high	94.4	Very high	33 Å²	33	54.4 Å²	54.4	18%	0.176	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.3	-166.2	-43.9	-46.1	0	0	0	112.1	L214 S215 Y223 K231	D169-L214 CarbonylContact C-O 3.6Å; D169-L214 WeakPolarHBondContact CA-O 3.27Å; D169-S215 VanDerWaalsContact OD1-CA 3.23Å; D169-S215 WeakPolarHBondContact OD1-CA 3.3Å; D169-S215 WeakPolarHBondContact OD1-CB 3.22Å; D169-S215 PolarHBondContact OD1-OG 3.4Å; D169-Y223 HydrophobicContact CB-CE1 3.97Å; D169-Y223 WeakPolarHBondContact CB-OH 3.18Å; D169-Y223 PolarHBondContact OD2-OH 2.73Å; D169-K231 HydrophobicContact CB-CD 4.34Å
170	F	98.1	Very high	94.3	Very high	1 Å²	1	56.9 Å²	56.9	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.5	-174	-59.4	-94.8	0	0	0	111	L123 A160 T164 I167 A213 L214 L216 K232 I234	L123-F170 HydrophobicContact CD1-CD1 4.29Å; L123-F170 HydrophobicContact CD1-CE1 3.65Å; L123-F170 HydrophobicContact CD1-CZ 4.34Å; L123-F170 HydrophobicContact CG-CE1 4.45Å; A160-F170 HydrophobicContact CB-CD2 4.01Å; A160-F170 HydrophobicContact CB-CE1 4.3Å; A160-F170 HydrophobicContact CB-CE2 3.76Å; A160-F170 HydrophobicContact CB-CG 4.44Å; A160-F170 HydrophobicContact CB-CZ 3.9Å; T164-F170 WeakPolarHBondContact OG1-CZ 3.29Å; I167-F170 HydrophobicContact CB-CZ 3.85Å; I167-F170 HydrophobicContact CG2-CE1 3.85Å; I167-F170 HydrophobicContact CG2-CE2 3.91Å; I167-F170 HydrophobicContact CG2-CZ 3.37Å; F170-A213 CarbonylContact O-C 3.5Å; F170-A213 WeakPolarHBondContact O-CA 3.36Å; F170-A213 WeakPolarHBondContact O-CB 3Å; F170-L214 PolarHBondContact N-O 2.77Å; F170-L214 PolarHBondContact O-N 3.33Å; F170-L216 HydrophobicContact CD2-CD1 4.5Å; F170-L216 HydrophobicContact CD2-CG 4.29Å; F170-L216 HydrophobicContact CE2-CD1 3.55Å; F170-L216 HydrophobicContact CE2-CG 3.76Å; F170-L216 HydrophobicContact CZ-CD1 4.23Å; F170-K232 CarbonylContact C-O 3.5Å; F170-K232 WeakPolarHBondContact CA-O 3.37Å; F170-K232 HydrophobicContact CD1-CB 3.68Å; F170-K232 HydrophobicContact CE1-CB 3.7Å; F170-K232 HydrophobicContact CE1-CD 4.32Å; F170-I234 HydrophobicContact CD1-CD1 4.31Å; F170-I234 HydrophobicContact CD1-CG1 4.3Å; F170-I234 HydrophobicContact CG-CD1 4.36Å
171	W	98.5	Very high	94.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	138.8	168	-65.5	130.3	0	0	0	111.1	K128 Y130 L144 C211 A213 E225 V226 S229 K231 K232	K128-W171 PolarHBondContact O-NE1 2.84Å; Y130-W171 HydrophobicContact CD2-CB 4.44Å; Y130-W171 AromaticContact CD2-CD2 3.99Å; Y130-W171 HydrophobicContact CD2-CD2 3.99Å; Y130-W171 AromaticContact CD2-CE3 3.84Å; Y130-W171 HydrophobicContact CD2-CE3 3.84Å; Y130-W171 HydrophobicContact CD2-CG 4.28Å; Y130-W171 HydrophobicContact CD2-CZ3 4.37Å; L144-W171 HydrophobicContact CD2-CB 4.37Å; W171-C211 HydrophobicContact CE3-CB 4.43Å; W171-C211 HydrophobicContact CH2-CB 4.16Å; W171-C211 HydrophobicContact CZ3-CB 3.78Å; W171-A213 HydrophobicContact CE3-CB 4.01Å; W171-A213 HydrophobicContact CZ3-CB 4.07Å; W171-E225 HydrophobicContact CH2-CB 4.01Å; W171-E225 HydrophobicContact CH2-CG 3.55Å; W171-E225 HydrophobicContact CZ3-CB 4Å; W171-E225 HydrophobicContact CZ3-CG 4.01Å; W171-V226 WeakPolarHBondContact CH2-O 3.23Å; W171-S229 WeakPolarHBondContact CZ2-O 3.17Å; W171-K231 HydrophobicContact CD2-CB 4.16Å; W171-K231 HydrophobicContact CD2-CD 4.01Å; W171-K231 HydrophobicContact CD2-CG 4.32Å; W171-K231 HydrophobicContact CE3-CD 4.15Å; W171-K231 HydrophobicContact CG-CB 4.13Å; W171-K231 HydrophobicContact CH2-CD 4.15Å; W171-K231 HydrophobicContact CZ2-CB 4.48Å; W171-K231 HydrophobicContact CZ2-CD 4Å; W171-K231 HydrophobicContact CZ2-CG 3.97Å; W171-K231 HydrophobicContact CZ3-CD 4.21Å; W171-K232 PolarHBondContact N-O 3.17Å
172	I	98.3	Very high	94	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	158.5	167.8	61.2	168.8	0	0	0	108.9	Y130 A145 V174 V212 L214 W222	Y130-I172 VanDerWaalsContact CE2-O 3.26Å; Y130-I172 WeakPolarHBondContact CE2-O 3.27Å; A145-I172 CarbonylContact O-C 3.49Å; A145-I172 VanDerWaalsContact O-CA 3.29Å; A145-I172 WeakPolarHBondContact O-CA 3.26Å; A145-I172 VanDerWaalsContact O-CB 3.28Å; A145-I172 WeakPolarHBondContact O-CB 3.46Å; I172-V174 HydrophobicContact CD1-CB 4.39Å; I172-V174 HydrophobicContact CD1-CG2 4.12Å; I172-V174 HydrophobicContact CG1-CB 4.43Å; I172-V174 HydrophobicContact CG1-CG2 4.42Å; I172-V174 PolarHBondContact O-N 3.2Å; I172-V212 HydrophobicContact CD1-CB 4.3Å; I172-V212 HydrophobicContact CD1-CG1 3.72Å; I172-V212 HydrophobicContact CG1-CB 4.07Å; I172-V212 HydrophobicContact CG1-CG1 3.95Å; I172-V212 WeakPolarHBondContact CG1-O 3.37Å; I172-V212 PolarHBondContact N-O 3.37Å; I172-L214 HydrophobicContact CG2-CB 3.78Å; I172-L214 HydrophobicContact CG2-CD1 4.47Å; I172-W222 HydrophobicContact CD1-CD2 3.57Å; I172-W222 HydrophobicContact CD1-CE3 3.91Å; I172-W222 HydrophobicContact CD1-CG 4Å; I172-W222 HydrophobicContact CD1-CH2 4.16Å; I172-W222 HydrophobicContact CD1-CZ2 3.85Å; I172-W222 HydrophobicContact CD1-CZ3 4.18Å
173	G	98	Very high	94.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	46.9	-173.8	0	0	0	0	0	114.2	L144 A145 T146 D185 V186	L144-G173 VanDerWaalsContact CB-CA 3.44Å; A145-G173 PolarHBondContact O-N 3.41Å; T146-G173 WeakPolarHBondContact OG1-CA 3.2Å; T146-G173 PolarHBondContact OG1-O 2.73Å; G173-D185 WeakPolarHBondContact O-CA 3.41Å; G173-V186 PolarHBondContact O-N 3.26Å
174	V	97.9	Very high	94.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.8	178.4	-176.5	0	0	0	0	109.2	Y130 T146 I172 Y183 V184 V191 V212 W222	Y130-V174 PolarHBondContact OH-N 2.83Å; T146-V174 HydrophobicContact CG2-CG2 3.93Å; I172-V174 HydrophobicContact CD1-CB 4.39Å; I172-V174 HydrophobicContact CD1-CG2 4.12Å; I172-V174 HydrophobicContact CG1-CB 4.43Å; I172-V174 HydrophobicContact CG1-CG2 4.42Å; I172-V174 PolarHBondContact O-N 3.2Å; V174-Y183 HydrophobicContact CG1-CD1 3.91Å; V174-Y183 HydrophobicContact CG1-CG 4.24Å; V174-V184 WeakPolarHBondContact CA-O 3.46Å; V174-V191 HydrophobicContact CG1-CG2 4.18Å; V174-V191 HydrophobicContact CG2-CG2 4.19Å; V174-V212 HydrophobicContact CB-CB 4.03Å; V174-V212 HydrophobicContact CB-CG2 4.04Å; V174-V212 HydrophobicContact CG1-CB 4.39Å; V174-V212 HydrophobicContact CG1-CG2 3.88Å; V174-V212 VanDerWaalsContact O-CB 3.27Å; V174-V212 WeakPolarHBondContact O-CB 3.18Å; V174-V212 VanDerWaalsContact O-CG2 3.27Å; V174-V212 WeakPolarHBondContact O-CG2 3.08Å; V174-V212 PolarHBondContact O-N 2.93Å; V174-W222 HydrophobicContact CG2-CZ3 4.36Å
175	A	96.9	Very high	94.6	Very high	7 Å²	7	50.8 Å²	50.8	6%	0.058	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	159	179.9	0	0	0	0	0	111.5	Y130 I177 Y183 V184 S210	Y130-A175 HydrophobicContact CE1-CB 4.12Å; A175-I177 HydrophobicContact CB-CD1 3.84Å; A175-I177 HydrophobicContact CB-CG1 4.05Å; A175-Y183 WeakPolarHBondContact O-CA 3.04Å; A175-V184 PolarHBondContact N-O 2.59Å; A175-V184 PolarHBondContact O-N 2.68Å; A175-S210 CarbonylContact C-O 3.6Å; A175-S210 WeakPolarHBondContact CA-O 3.29Å; A175-S210 VanDerWaalsContact CB-O 3.23Å; A175-S210 WeakPolarHBondContact CB-O 3.32Å
176	D	96.1	Very high	95	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.011	27%	0.265	C	S	.	.			trans	-127.1	30	174.6	67.6	-31.3	0	0	0	112	V178 K179 E180 G181 Q182 Y183 S210	D176-V178 PolarHBondContact O-N 2.96Å; D176-V178 VanDerWaalsContact O-N 3.1Å; D176-K179 CarbonylContact O-C 3.53Å; D176-K179 VanDerWaalsContact O-C 3.23Å; D176-K179 PolarHBondContact O-N 2.57Å; D176-K179 VanDerWaalsContact O-N 3.09Å; D176-E180 WeakPolarHBondContact OD2-CA 3.26Å; D176-G181 PolarHBondContact OD2-N 3.34Å; D176-Q182 WeakPolarHBondContact CB-O 3.22Å; D176-Y183 HydrophobicContact CB-CD1 3.73Å; D176-Y183 HydrophobicContact CB-CE1 3.83Å; D176-Y183 HydrophobicContact CB-CG 4.09Å; D176-Y183 VanDerWaalsContact CG-CE1 3.47Å; D176-Y183 WeakPolarHBondContact OD1-CE1 3.02Å; D176-S210 PolarHBondContact N-O 3.2Å; D176-S210 WeakPolarHBondContact OD1-CA 3.3Å; D176-S210 WeakPolarHBondContact OD1-CB 3.38Å
177	I	94	Very high	95.3	Very high	80 Å²	80	48.1 Å²	48.1	41%	0.41	25%	0.254	S	S	.	.	S	Bend	trans	-50.5	-38.5	-177.2	-65.4	157.1	0	0	0	113.1	Y130 A175	Y130-I177 HydrophobicContact CD1-CD1 4.41Å; Y130-I177 HydrophobicContact CE1-CD1 4.28Å; A175-I177 HydrophobicContact CB-CD1 3.84Å; A175-I177 HydrophobicContact CB-CG1 4.05Å
178	V	92.6	Very high	95.4	Very high	142 Å²	142	49.7 Å²	49.7	86%	0.861	27%	0.27	S	S	*	.	S	Bend	trans	-77.5	-39.5	-176.8	178.6	0	0	0	0	111.5	D176	D176-V178 PolarHBondContact O-N 2.96Å; D176-V178 VanDerWaalsContact O-N 3.1Å
179	K	92.6	Very high	95.6	Very high	116 Å²	116	48.3 Å²	48.3	50%	0.504	27%	0.271	S	S	.	.	S	Bend	trans	-151.9	110.8	-175.8	-178.6	164.5	164.6	-156.3	0	110.7	D176 G181 Q182	D176-K179 CarbonylContact O-C 3.53Å; D176-K179 VanDerWaalsContact O-C 3.23Å; D176-K179 PolarHBondContact O-N 2.57Å; D176-K179 VanDerWaalsContact O-N 3.09Å; K179-G181 PolarHBondContact O-N 2.79Å; K179-Q182 HydrophobicContact CB-CB 4.32Å; K179-Q182 HydrophobicContact CD-CG 4.23Å; K179-Q182 VanDerWaalsContact CE-CD 3.46Å; K179-Q182 HydrophobicContact CG-CB 4.35Å; K179-Q182 HydrophobicContact CG-CG 4.09Å; K179-Q182 VanDerWaalsContact NZ-CD 3.31Å; K179-Q182 VanDerWaalsContact NZ-OE1 3.13Å; K179-Q182 WeakPolarHBondContact O-CA 3.28Å; K179-Q182 WeakPolarHBondContact O-CB 3.31Å; K179-Q182 PolarHBondContact O-N 3.2Å
180	E	93	Very high	95.7	Very high	64 Å²	64	51.3 Å²	51.3	30%	0.299	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	129.8	177.3	-169.9	66.7	-146.8	0	0	112.7	D176 Q182 G205 T206 K207	D176-E180 WeakPolarHBondContact OD2-CA 3.26Å; E180-Q182 PolarHBondContact O-N 3.41Å; E180-G205 WeakPolarHBondContact OE1-CA 3.18Å; E180-T206 PolarHBondContact OE1-N 3.13Å; E180-K207 VanDerWaalsContact OE2-CA 3.29Å; E180-K207 WeakPolarHBondContact OE2-CA 3.39Å; E180-K207 PolarHBondContact OE2-N 3.18Å
181	G	92	Very high	95.6	Very high	55 Å²	55	51.9 Å²	51.9	57%	0.567	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-1.7	-179.2	0	0	0	0	0	114.8	D176 K179	D176-G181 PolarHBondContact OD2-N 3.34Å; K179-G181 PolarHBondContact O-N 2.79Å
182	Q	94.4	Very high	95.4	Very high	105 Å²	105	57 Å²	57	49%	0.491	33%	0.332	S	S	.	.			trans	-108.7	84.6	172.9	-62	-160.5	-28.7	0	0	110.5	D176 K179 E180 V184	D176-Q182 WeakPolarHBondContact CB-O 3.22Å; K179-Q182 HydrophobicContact CB-CB 4.32Å; K179-Q182 HydrophobicContact CD-CG 4.23Å; K179-Q182 VanDerWaalsContact CE-CD 3.46Å; K179-Q182 HydrophobicContact CG-CB 4.35Å; K179-Q182 HydrophobicContact CG-CG 4.09Å; K179-Q182 VanDerWaalsContact NZ-CD 3.31Å; K179-Q182 VanDerWaalsContact NZ-OE1 3.13Å; K179-Q182 WeakPolarHBondContact O-CA 3.28Å; K179-Q182 WeakPolarHBondContact O-CB 3.31Å; K179-Q182 PolarHBondContact O-N 3.2Å; E180-Q182 PolarHBondContact O-N 3.41Å; Q182-V184 PolarHBondContact O-N 2.94Å
183	Y	96	Very high	95.3	Very high	19 Å²	19	58.6 Å²	58.6	8%	0.075	34%	0.339	C	S	.	.			trans	-73.1	127.7	178.6	-66.4	-81.7	0	0	0	112	V174 A175 D176 V191 F194 W196 P203 V212	V174-Y183 HydrophobicContact CG1-CD1 3.91Å; V174-Y183 HydrophobicContact CG1-CG 4.24Å; A175-Y183 WeakPolarHBondContact O-CA 3.04Å; D176-Y183 HydrophobicContact CB-CD1 3.73Å; D176-Y183 HydrophobicContact CB-CE1 3.83Å; D176-Y183 HydrophobicContact CB-CG 4.09Å; D176-Y183 VanDerWaalsContact CG-CE1 3.47Å; D176-Y183 WeakPolarHBondContact OD1-CE1 3.02Å; Y183-V191 PolarHBondContact O-N 2.85Å; Y183-V191 VanDerWaalsContact O-N 3.12Å; Y183-F194 AromaticContact CD2-CE1 3.88Å; Y183-F194 HydrophobicContact CD2-CE1 3.88Å; Y183-F194 HydrophobicContact CD2-CZ 4.37Å; Y183-F194 AromaticContact CG-CE1 3.85Å; Y183-F194 HydrophobicContact CG-CE1 3.85Å; Y183-F194 HydrophobicContact CG-CZ 4.47Å; Y183-W196 HydrophobicContact CD1-CH2 4.21Å; Y183-W196 HydrophobicContact CD1-CZ2 4.18Å; Y183-W196 AromaticContact CD2-CZ2 3.9Å; Y183-W196 HydrophobicContact CD2-CZ2 3.9Å; Y183-W196 AromaticContact CE1-CH2 3.66Å; Y183-W196 HydrophobicContact CE1-CH2 3.66Å; Y183-W196 AromaticContact CE1-CZ2 3.9Å; Y183-W196 HydrophobicContact CE1-CZ2 3.9Å; Y183-W196 HydrophobicContact CE2-CH2 4.11Å; Y183-W196 AromaticContact CE2-CZ2 3.57Å; Y183-W196 HydrophobicContact CE2-CZ2 3.57Å; Y183-W196 HydrophobicContact CG-CZ2 4.19Å; Y183-W196 AromaticContact CZ-CH2 3.61Å; Y183-W196 AromaticContact CZ-CZ2 3.59Å; Y183-P203 HydrophobicContact CE2-CG 4.21Å; Y183-P203 WeakPolarHBondContact OH-CB 3.24Å; Y183-P203 WeakPolarHBondContact OH-CG 3.38Å; Y183-V212 HydrophobicContact CD1-CG2 3.88Å; Y183-V212 HydrophobicContact CE1-CG2 3.71Å
184	V	97.3	Very high	95.3	Very high	40 Å²	40	62.1 Å²	62.1	24%	0.242	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	159.3	175.3	-62.6	0	0	0	0	109.9	V174 A175 Q182 M189	V174-V184 WeakPolarHBondContact CA-O 3.46Å; A175-V184 PolarHBondContact N-O 2.59Å; A175-V184 PolarHBondContact O-N 2.68Å; Q182-V184 PolarHBondContact O-N 2.94Å; V184-M189 CarbonylContact C-O 3.52Å; V184-M189 VanDerWaalsContact CA-O 3.24Å; V184-M189 WeakPolarHBondContact CA-O 3.37Å
185	D	96.8	Very high	95.3	Very high	8 Å²	8	62.4 Å²	62.4	4%	0.043	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	178.6	169.8	67.1	24.2	0	0	0	111.6	T146 R148 G173 N187 S188 M189 V191	T146-D185 HydrophobicContact CG2-CB 3.89Å; R148-D185 IonicContact CZ-OD2 3.32Å; R148-D185 IonicContact NH1-OD2 3.39Å; R148-D185 PolarHBondContact NH1-OD2 2.79Å; R148-D185 IonicContact NH2-OD2 2.81Å; R148-D185 PolarHBondContact NH2-OD2 2.98Å; G173-D185 WeakPolarHBondContact O-CA 3.41Å; D185-N187 PolarHBondContact O-N 2.93Å; D185-N187 VanDerWaalsContact O-N 3.12Å; D185-N187 VanDerWaalsContact OD1-C 3.29Å; D185-N187 VanDerWaalsContact OD1-CA 3.29Å; D185-N187 WeakPolarHBondContact OD1-CA 3.4Å; D185-N187 WeakPolarHBondContact OD1-CB 3.43Å; D185-N187 PolarHBondContact OD1-N 2.84Å; D185-S188 WeakPolarHBondContact O-CA 3.43Å; D185-S188 PolarHBondContact O-N 2.89Å; D185-S188 PolarHBondContact OD1-N 3.37Å; D185-M189 PolarHBondContact N-O 3.03Å; D185-M189 WeakPolarHBondContact OD1-CB 3.43Å; D185-M189 PolarHBondContact OD1-N 3.23Å; D185-M189 WeakPolarHBondContact OD2-CB 2.99Å; D185-V191 HydrophobicContact CB-CG2 4.03Å
186	V	94.7	Very high	95.3	Very high	30 Å²	30	63 Å²	63	18%	0.182	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.5	179.2	-54.9	0	0	0	0	114.2	N134 T143 L144 G173 S188	N134-V186 WeakPolarHBondContact OD1-CB 3.4Å; N134-V186 WeakPolarHBondContact OD1-CG1 3.41Å; T143-V186 HydrophobicContact CG2-CG2 3.67Å; L144-V186 HydrophobicContact CB-CG1 4.03Å; G173-V186 PolarHBondContact O-N 3.26Å; V186-S188 VanDerWaalsContact C-N 3.3Å
187	N	93	Very high	95.4	Very high	104 Å²	104	63.6 Å²	63.6	56%	0.556	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	13.2	175.2	-59.6	-45.4	0	0	0	111.8	D185 M189	D185-N187 PolarHBondContact O-N 2.93Å; D185-N187 VanDerWaalsContact O-N 3.12Å; D185-N187 VanDerWaalsContact OD1-C 3.29Å; D185-N187 VanDerWaalsContact OD1-CA 3.29Å; D185-N187 WeakPolarHBondContact OD1-CA 3.4Å; D185-N187 WeakPolarHBondContact OD1-CB 3.43Å; D185-N187 PolarHBondContact OD1-N 2.84Å; N187-M189 HydrophobicContact CB-CG 4.45Å; N187-M189 PolarHBondContact O-N 2.83Å
188	S	95.4	Very high	95.4	Very high	92 Å²	92	68.6 Å²	68.6	64%	0.643	37%	0.374	S	S	*	.	S	Bend	trans	61.9	20.7	-177	-53.9	0	0	0	0	114.4	D185 V186	D185-S188 WeakPolarHBondContact O-CA 3.43Å; D185-S188 PolarHBondContact O-N 2.89Å; D185-S188 PolarHBondContact OD1-N 3.37Å; V186-S188 VanDerWaalsContact C-N 3.3Å
189	M	96.5	Very high	95.5	Very high	114 Å²	114	66.8 Å²	66.8	56%	0.562	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-88.7	139.1	175.1	-63.3	-62.8	-64.1	0	0	110.5	V184 D185 N187 V191	V184-M189 CarbonylContact C-O 3.52Å; V184-M189 VanDerWaalsContact CA-O 3.24Å; V184-M189 WeakPolarHBondContact CA-O 3.37Å; D185-M189 PolarHBondContact N-O 3.03Å; D185-M189 WeakPolarHBondContact OD1-CB 3.43Å; D185-M189 PolarHBondContact OD1-N 3.23Å; D185-M189 WeakPolarHBondContact OD2-CB 2.99Å; N187-M189 HydrophobicContact CB-CG 4.45Å; N187-M189 PolarHBondContact O-N 2.83Å; M189-V191 PolarHBondContact O-N 2.85Å
190	P	96.6	Very high	95.4	Very high	96 Å²	96	67.3 Å²	67.3	62%	0.623	37%	0.37	S	S	*	.	B	Isolated β-bridge	trans	-56.8	133.6	177.4	-25	33.9	0	0	0	112.4
191	V	96	Very high	95.4	Very high	13 Å²	13	73 Å²	73	8%	0.079	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-87.6	132.6	175.9	178.5	0	0	0	0	109.7	V174 Y183 D185 M189 F193 F194	V174-V191 HydrophobicContact CG1-CG2 4.18Å; V174-V191 HydrophobicContact CG2-CG2 4.19Å; Y183-V191 PolarHBondContact O-N 2.85Å; Y183-V191 VanDerWaalsContact O-N 3.12Å; D185-V191 HydrophobicContact CB-CG2 4.03Å; M189-V191 PolarHBondContact O-N 2.85Å; V191-F193 WeakPolarHBondContact CG1-O 3.33Å; V191-F194 HydrophobicContact CB-CE1 4.3Å; V191-F194 HydrophobicContact CB-CZ 4.06Å; V191-F194 HydrophobicContact CG1-CE1 4.1Å; V191-F194 HydrophobicContact CG1-CZ 4.09Å; V191-F194 VanDerWaalsContact O-CE2 3.31Å; V191-F194 WeakPolarHBondContact O-CE2 3.22Å; V191-F194 VanDerWaalsContact O-CZ 3.29Å; V191-F194 WeakPolarHBondContact O-CZ 3.43Å
192	S	94.8	Very high	95.4	Very high	109 Å²	109	71.4 Å²	71.4	76%	0.762	37%	0.371	S	S	*	.			trans	-101.7	-25.5	179.5	55.7	0	0	0	0	113.7
193	F	97.3	Very high	95.2	Very high	34 Å²	34	68.2 Å²	68.2	15%	0.149	36%	0.36	C	S	.	.			trans	-102.2	133.9	-179.4	172.1	-101.3	0	0	0	111.3	P147 R148 D149 M150 N153 V191 N195 W222	P147-F193 WeakPolarHBondContact O-CD1 3.37Å; R148-F193 WeakPolarHBondContact O-CB 3.23Å; D149-F193 VanDerWaalsContact C-CZ 3.43Å; D149-F193 WeakPolarHBondContact O-CE1 3.35Å; M150-F193 HydrophobicContact CB-CE2 4.24Å; M150-F193 HydrophobicContact CB-CZ 4.3Å; M150-F193 HydrophobicContact CE-CE2 4.38Å; M150-F193 HydrophobicContact CE-CZ 4.27Å; N153-F193 HydrophobicContact CB-CE1 4.02Å; N153-F193 HydrophobicContact CB-CZ 4.24Å; V191-F193 WeakPolarHBondContact CG1-O 3.33Å; F193-N195 HydrophobicContact CE1-CB 4.11Å; F193-N195 HydrophobicContact CZ-CB 3.94Å; F193-W222 AromaticContact CD1-CH2 3.61Å; F193-W222 HydrophobicContact CD1-CH2 3.61Å; F193-W222 AromaticContact CD1-CZ2 3.92Å; F193-W222 HydrophobicContact CD1-CZ2 3.92Å; F193-W222 AromaticContact CE1-CH2 3.8Å; F193-W222 HydrophobicContact CE1-CH2 3.8Å; F193-W222 AromaticContact CE1-CZ2 3.63Å; F193-W222 HydrophobicContact CE1-CZ2 3.63Å; F193-W222 WeakPolarHBondContact O-CH2 3.49Å; F193-W222 WeakPolarHBondContact O-CZ3 3.5Å
194	F	97.1	Very high	94.7	Very high	75 Å²	75	70.7 Å²	70.7	33%	0.329	38%	0.377	S	S	.	.			trans	-137.5	133.9	178.1	-62	-81.4	0	0	0	111.1	Y183 V191 W196 W222	Y183-F194 AromaticContact CD2-CE1 3.88Å; Y183-F194 HydrophobicContact CD2-CE1 3.88Å; Y183-F194 HydrophobicContact CD2-CZ 4.37Å; Y183-F194 AromaticContact CG-CE1 3.85Å; Y183-F194 HydrophobicContact CG-CE1 3.85Å; Y183-F194 HydrophobicContact CG-CZ 4.47Å; V191-F194 HydrophobicContact CB-CE1 4.3Å; V191-F194 HydrophobicContact CB-CZ 4.06Å; V191-F194 HydrophobicContact CG1-CE1 4.1Å; V191-F194 HydrophobicContact CG1-CZ 4.09Å; V191-F194 VanDerWaalsContact O-CE2 3.31Å; V191-F194 WeakPolarHBondContact O-CE2 3.22Å; V191-F194 VanDerWaalsContact O-CZ 3.29Å; V191-F194 WeakPolarHBondContact O-CZ 3.43Å; F194-W196 HydrophobicContact CB-CG 4.35Å; F194-W196 AromaticContact CD1-CE2 3.6Å; F194-W196 AromaticContact CD1-CZ2 3.65Å; F194-W196 HydrophobicContact CD1-CZ2 3.65Å; F194-W196 AromaticContact CD1-NE1 3.29Å; F194-W196 VanDerWaalsContact CD1-NE1 3.29Å; F194-W196 HydrophobicContact CE1-CZ2 4.08Å; F194-W196 AromaticContact CG-NE1 3.49Å; F194-W222 HydrophobicContact CB-CZ3 4.49Å; F194-W222 HydrophobicContact CD1-CE3 4.5Å; F194-W222 HydrophobicContact CD1-CZ3 4.18Å
195	N	97.9	Very high	93.6	Very high	6 Å²	6	70.7 Å²	70.7	3%	0.032	39%	0.385	C	S	.	.			trans	-115.4	41.3	175.6	-161.5	30.6	0	0	0	112.9	N153 F193 G220 K221 W222	N153-N195 PolarHBondContact ND2-ND2 3.02Å; F193-N195 HydrophobicContact CE1-CB 4.11Å; F193-N195 HydrophobicContact CZ-CB 3.94Å; N195-G220 PolarHBondContact ND2-O 2.65Å; N195-K221 CarbonylContact O-C 3.54Å; N195-K221 VanDerWaalsContact O-CA 3.22Å; N195-K221 WeakPolarHBondContact O-CA 3.29Å; N195-K221 VanDerWaalsContact O-CD 3.3Å; N195-K221 WeakPolarHBondContact O-CD 3.42Å; N195-K221 WeakPolarHBondContact OD1-CD 3.28Å; N195-K221 PolarHBondContact OD1-NZ 2.94Å; N195-W222 HydrophobicContact CB-CD2 3.96Å; N195-W222 HydrophobicContact CB-CG 4.11Å; N195-W222 HydrophobicContact CB-CZ2 4.24Å; N195-W222 PolarHBondContact O-N 3.01Å
196	W	97.6	Very high	92.7	Very high	18 Å²	18	73.2 Å²	73.2	7%	0.068	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-52.4	140.9	-177.7	-62	123.3	0	0	0	114.3	Y183 F194 R198 Q202 P203 V212 W222	Y183-W196 HydrophobicContact CD1-CH2 4.21Å; Y183-W196 HydrophobicContact CD1-CZ2 4.18Å; Y183-W196 AromaticContact CD2-CZ2 3.9Å; Y183-W196 HydrophobicContact CD2-CZ2 3.9Å; Y183-W196 AromaticContact CE1-CH2 3.66Å; Y183-W196 HydrophobicContact CE1-CH2 3.66Å; Y183-W196 AromaticContact CE1-CZ2 3.9Å; Y183-W196 HydrophobicContact CE1-CZ2 3.9Å; Y183-W196 HydrophobicContact CE2-CH2 4.11Å; Y183-W196 AromaticContact CE2-CZ2 3.57Å; Y183-W196 HydrophobicContact CE2-CZ2 3.57Å; Y183-W196 HydrophobicContact CG-CZ2 4.19Å; Y183-W196 AromaticContact CZ-CH2 3.61Å; Y183-W196 AromaticContact CZ-CZ2 3.59Å; F194-W196 HydrophobicContact CB-CG 4.35Å; F194-W196 AromaticContact CD1-CE2 3.6Å; F194-W196 AromaticContact CD1-CZ2 3.65Å; F194-W196 HydrophobicContact CD1-CZ2 3.65Å; F194-W196 AromaticContact CD1-NE1 3.29Å; F194-W196 VanDerWaalsContact CD1-NE1 3.29Å; F194-W196 HydrophobicContact CE1-CZ2 4.08Å; F194-W196 AromaticContact CG-NE1 3.49Å; W196-R198 PolarHBondContact O-N 3.14Å; W196-Q202 HydrophobicContact CE3-CB 4.44Å; W196-P203 HydrophobicContact CD2-CG 4.47Å; W196-P203 HydrophobicContact CE3-CB 4.41Å; W196-P203 HydrophobicContact CH2-CB 4.23Å; W196-P203 HydrophobicContact CZ2-CG 4.29Å; W196-P203 HydrophobicContact CZ3-CB 4.19Å; W196-V212 HydrophobicContact CH2-CB 4.43Å; W196-V212 HydrophobicContact CH2-CG1 3.91Å; W196-V212 HydrophobicContact CH2-CG2 3.56Å; W196-V212 HydrophobicContact CZ3-CG1 3.77Å; W196-V212 HydrophobicContact CZ3-CG2 4.13Å; W196-W222 HydrophobicContact CE3-CB 3.78Å; W196-W222 HydrophobicContact CZ3-CB 4.03Å
197	D	97	Very high	91.7	Very high	15 Å²	15	80.6 Å²	80.6	8%	0.08	43%	0.43	C	S	.	.			trans	-73.8	86.7	170.5	-171.3	-3.9	0	0	0	111.1	S199 K200 K201 Q202 K221 W222	D197-S199 PolarHBondContact O-N 3.2Å; D197-S199 WeakPolarHBondContact OD1-CB 3.38Å; D197-S199 PolarHBondContact OD1-N 3.44Å; D197-S199 VanDerWaalsContact OD1-N 3.08Å; D197-S199 PolarHBondContact OD1-OG 3.22Å; D197-K200 PolarHBondContact O-N 2.82Å; D197-K200 VanDerWaalsContact O-N 3.15Å; D197-K200 WeakPolarHBondContact OD2-CD 3.41Å; D197-K201 PolarHBondContact O-N 3.08Å; D197-Q202 HydrophobicContact CB-CB 4.39Å; D197-Q202 HydrophobicContact CB-CG 4.16Å; D197-Q202 WeakPolarHBondContact O-CB 3.45Å; D197-Q202 PolarHBondContact O-N 2.97Å; D197-K221 HydrophobicContact CB-CB 3.78Å; D197-W222 PolarHBondContact N-O 3.38Å
198	R	94.8	Very high	91.1	Very high	185 Å²	185	85 Å²	85	70%	0.698	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-62.3	-24.4	178.4	-58.5	-55.9	-169.6	166.8	4.3	113.2	W196 K200 K201	W196-R198 PolarHBondContact O-N 3.14Å; R198-K200 PolarHBondContact O-N 3.32Å; R198-K201 PolarHBondContact O-N 3.32Å
199	S	93.8	Very high	90.8	Very high	104 Å²	104	83 Å²	83	73%	0.727	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-66.2	-26.5	178.5	77.7	0	0	0	0	112.3	D197	D197-S199 PolarHBondContact O-N 3.2Å; D197-S199 WeakPolarHBondContact OD1-CB 3.38Å; D197-S199 PolarHBondContact OD1-N 3.44Å; D197-S199 VanDerWaalsContact OD1-N 3.08Å; D197-S199 PolarHBondContact OD1-OG 3.22Å
200	K	91.7	Very high	90.7	Very high	127 Å²	127	78 Å²	78	55%	0.552	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-104.5	12.1	177.1	-65.1	-174.5	-176.4	176.6	0	113.8	D197 R198 Q202	D197-K200 PolarHBondContact O-N 2.82Å; D197-K200 VanDerWaalsContact O-N 3.15Å; D197-K200 WeakPolarHBondContact OD2-CD 3.41Å; R198-K200 PolarHBondContact O-N 3.32Å; K200-Q202 VanDerWaalsContact C-N 3.28Å; K200-Q202 HydrophobicContact CB-CG 4.01Å; K200-Q202 PolarHBondContact O-N 3.15Å
201	K	91.8	Very high	90.8	Very high	184 Å²	184	73.5 Å²	73.5	80%	0.8	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	41	-179	-54.6	177.6	-179.9	178	0	113	D197 R198	D197-K201 PolarHBondContact O-N 3.08Å; R198-K201 PolarHBondContact O-N 3.32Å
202	Q	92.7	Very high	90.8	Very high	22 Å²	22	72.9 Å²	72.9	10%	0.103	36%	0.363	C	S	.	.	S	Bend	trans	-80.7	150.4	177.9	-69	-73.6	-40.6	0	0	112.4	W196 D197 K200 T204 Y223 D224	W196-Q202 HydrophobicContact CE3-CB 4.44Å; D197-Q202 HydrophobicContact CB-CB 4.39Å; D197-Q202 HydrophobicContact CB-CG 4.16Å; D197-Q202 WeakPolarHBondContact O-CB 3.45Å; D197-Q202 PolarHBondContact O-N 2.97Å; K200-Q202 VanDerWaalsContact C-N 3.28Å; K200-Q202 HydrophobicContact CB-CG 4.01Å; K200-Q202 PolarHBondContact O-N 3.15Å; Q202-T204 VanDerWaalsContact NE2-CG2 3.34Å; Q202-Y223 VanDerWaalsContact CD-CB 3.49Å; Q202-D224 PolarHBondContact OE1-OD1 2.95Å
203	P	90.4	Very high	91	Very high	38 Å²	38	67.7 Å²	67.7	25%	0.247	33%	0.327	C	S	.	.			cis	-69.4	155.3	-10.3	30.6	-34.3	0	0	0	112.1	Y183 W196 G205 D224	Y183-P203 HydrophobicContact CE2-CG 4.21Å; Y183-P203 WeakPolarHBondContact OH-CB 3.24Å; Y183-P203 WeakPolarHBondContact OH-CG 3.38Å; W196-P203 HydrophobicContact CD2-CG 4.47Å; W196-P203 HydrophobicContact CE3-CB 4.41Å; W196-P203 HydrophobicContact CH2-CB 4.23Å; W196-P203 HydrophobicContact CZ2-CG 4.29Å; W196-P203 HydrophobicContact CZ3-CB 4.19Å; P203-G205 VanDerWaalsContact C-N 3.29Å; P203-D224 WeakPolarHBondContact CA-OD1 3.21Å; P203-D224 HydrophobicContact CB-CB 3.89Å; P203-D224 VanDerWaalsContact CB-CG 3.48Å; P203-D224 WeakPolarHBondContact CB-OD2 3.42Å
204	T	85.7	Confident	91	Very high	70 Å²	70	66.1 Å²	66.1	43%	0.429	32%	0.32	S	S	.	.			trans	-74.1	-23.9	176.2	81.9	0	0	0	0	112.2	Q202 E209 D224	Q202-T204 VanDerWaalsContact NE2-CG2 3.34Å; T204-E209 PolarHBondContact OG1-OE2 3.49Å; T204-D224 VanDerWaalsContact N-CG 3.27Å; T204-D224 PolarHBondContact N-OD1 3.02Å; T204-D224 PolarHBondContact N-OD2 3.5Å; T204-D224 PolarHBondContact OG1-OD2 3.47Å
205	G	73.7	Confident	91	Very high	41 Å²	41	62.7 Å²	62.7	42%	0.423	31%	0.306	S	S	.	.			trans	75.7	35.6	170.1	0	0	0	0	0	113.5	E180 P203 D224	E180-G205 WeakPolarHBondContact OE1-CA 3.18Å; P203-G205 VanDerWaalsContact C-N 3.29Å; G205-D224 PolarHBondContact N-OD2 2.82Å
206	T	77.2	Confident	91	Very high	61 Å²	61	63.8 Å²	63.8	37%	0.374	31%	0.311	S	S	.	.			trans	-100.3	139.4	174.9	75.3	0	0	0	0	110.9	E180 R208 E209	E180-T206 PolarHBondContact OE1-N 3.13Å; T206-R208 PolarHBondContact O-N 2.95Å; T206-E209 CarbonylContact O-C 3.55Å; T206-E209 PolarHBondContact O-N 2.86Å
207	K	74.3	Confident	90.9	Very high	184 Å²	184	66.7 Å²	66.7	80%	0.8	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-11.1	176.1	-66.3	-170.9	178.3	-173.9	0	115.5	E180 S210	E180-K207 VanDerWaalsContact OE2-CA 3.29Å; E180-K207 WeakPolarHBondContact OE2-CA 3.39Å; E180-K207 PolarHBondContact OE2-N 3.18Å; K207-S210 PolarHBondContact O-OG 3.06Å
208	R	81.8	Confident	90.8	Very high	198 Å²	198	66.8 Å²	66.8	75%	0.747	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-25.3	177.2	-63.6	-173.6	73.6	-172.1	1.5	111.6	T206 V226	T206-R208 PolarHBondContact O-N 2.95Å; R208-V226 WeakPolarHBondContact O-CA 3.07Å
209	E	87.9	Confident	90.9	Very high	48 Å²	48	65.3 Å²	65.3	22%	0.224	34%	0.335	C	S	.	.			trans	-108.7	68.6	-175.4	-67.1	-177.1	156.7	0	0	109.7	T204 T206 D224 E225 V226	T204-E209 PolarHBondContact OG1-OE2 3.49Å; T206-E209 CarbonylContact O-C 3.55Å; T206-E209 PolarHBondContact O-N 2.86Å; E209-D224 HydrophobicContact CB-CB 4.21Å; E209-D224 WeakPolarHBondContact O-CB 3.43Å; E209-E225 CarbonylContact C-O 3.59Å; E209-E225 WeakPolarHBondContact CA-O 3.39Å; E209-V226 HydrophobicContact CG-CG2 3.89Å
210	S	95.3	Very high	91	Very high	11 Å²	11	60.3 Å²	60.3	8%	0.077	30%	0.3	C	S	.	.			trans	-103	7	-175.1	-50.4	0	0	0	0	114.5	A175 D176 K207 E225	A175-S210 CarbonylContact C-O 3.6Å; A175-S210 WeakPolarHBondContact CA-O 3.29Å; A175-S210 VanDerWaalsContact CB-O 3.23Å; A175-S210 WeakPolarHBondContact CB-O 3.32Å; D176-S210 PolarHBondContact N-O 3.2Å; D176-S210 WeakPolarHBondContact OD1-CA 3.3Å; D176-S210 WeakPolarHBondContact OD1-CB 3.38Å; K207-S210 PolarHBondContact O-OG 3.06Å; S210-E225 PolarHBondContact N-O 3.37Å
211	C	97.1	Very high	91.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.5	-179.2	-69.9	0	0	0	0	110.3	Y130 W171 D224 E225 C227	Y130-C211 VanDerWaalsContact CB-SG 3.56Å; Y130-C211 HydrophobicContact CD1-CB 4.47Å; Y130-C211 WeakPolarHBondContact CD1-SG 3.47Å; Y130-C211 HydrophobicContact CD2-CB 3.62Å; Y130-C211 HydrophobicContact CE2-CB 4.11Å; Y130-C211 HydrophobicContact CG-CB 3.82Å; W171-C211 HydrophobicContact CE3-CB 4.43Å; W171-C211 HydrophobicContact CH2-CB 4.16Å; W171-C211 HydrophobicContact CZ3-CB 3.78Å; C211-D224 CarbonylContact O-C 3.55Å; C211-E225 PolarHBondContact N-O 3Å; C211-E225 PolarHBondContact O-N 3.26Å; C211-C227 HydrophobicContact CB-CB 3.94Å; C211-C227 WeakPolarHBondContact CB-SG 3.18Å; C211-C227 VanDerWaalsContact SG-CA 3.58Å; C211-C227 WeakPolarHBondContact SG-CB 3.35Å; C211-C227 CovalentContact SG-SG 2.03Å; C211-C227 PolarHBondContact SG-SG 3.04Å
212	V	97.6	Very high	91.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.6	-172.1	-174.1	0	0	0	0	111.4	I172 V174 Y183 W196 W222	I172-V212 HydrophobicContact CD1-CB 4.3Å; I172-V212 HydrophobicContact CD1-CG1 3.72Å; I172-V212 HydrophobicContact CG1-CB 4.07Å; I172-V212 HydrophobicContact CG1-CG1 3.95Å; I172-V212 WeakPolarHBondContact CG1-O 3.37Å; I172-V212 PolarHBondContact N-O 3.37Å; V174-V212 HydrophobicContact CB-CB 4.03Å; V174-V212 HydrophobicContact CB-CG2 4.04Å; V174-V212 HydrophobicContact CG1-CB 4.39Å; V174-V212 HydrophobicContact CG1-CG2 3.88Å; V174-V212 VanDerWaalsContact O-CB 3.27Å; V174-V212 WeakPolarHBondContact O-CB 3.18Å; V174-V212 VanDerWaalsContact O-CG2 3.27Å; V174-V212 WeakPolarHBondContact O-CG2 3.08Å; V174-V212 PolarHBondContact O-N 2.93Å; Y183-V212 HydrophobicContact CD1-CG2 3.88Å; Y183-V212 HydrophobicContact CE1-CG2 3.71Å; W196-V212 HydrophobicContact CH2-CB 4.43Å; W196-V212 HydrophobicContact CH2-CG1 3.91Å; W196-V212 HydrophobicContact CH2-CG2 3.56Å; W196-V212 HydrophobicContact CZ3-CG1 3.77Å; W196-V212 HydrophobicContact CZ3-CG2 4.13Å; V212-W222 HydrophobicContact CG1-CB 3.83Å; V212-W222 HydrophobicContact CG1-CD2 4.39Å; V212-W222 HydrophobicContact CG1-CE3 4.24Å; V212-W222 HydrophobicContact CG1-CG 4.25Å
213	A	97.9	Very high	91.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.7	173.5	0	0	0	0	0	111.6	F170 W171 W222 Y223 K231	F170-A213 CarbonylContact O-C 3.5Å; F170-A213 WeakPolarHBondContact O-CA 3.36Å; F170-A213 WeakPolarHBondContact O-CB 3Å; W171-A213 HydrophobicContact CE3-CB 4.01Å; W171-A213 HydrophobicContact CZ3-CB 4.07Å; A213-W222 VanDerWaalsContact O-CA 3.29Å; A213-W222 WeakPolarHBondContact O-CA 3.3Å; A213-Y223 HydrophobicContact CB-CD1 4.34Å; A213-Y223 HydrophobicContact CB-CE1 3.79Å; A213-Y223 HydrophobicContact CB-CE2 4.11Å; A213-Y223 PolarHBondContact N-O 2.94Å; A213-Y223 WeakPolarHBondContact O-CD1 2.98Å; A213-Y223 PolarHBondContact O-N 2.85Å; A213-K231 HydrophobicContact CB-CD 3.83Å
214	L	98.2	Very high	92.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.8	170.8	179.4	155.4	0	0	0	109.3	N153 V156 R157 D169 F170 I172 L216	N153-L214 WeakPolarHBondContact OD1-CD1 3.07Å; V156-L214 HydrophobicContact CG1-CD1 4.24Å; R157-L214 HydrophobicContact CB-CD2 4.46Å; D169-L214 CarbonylContact C-O 3.6Å; D169-L214 WeakPolarHBondContact CA-O 3.27Å; F170-L214 PolarHBondContact N-O 2.77Å; F170-L214 PolarHBondContact O-N 3.33Å; I172-L214 HydrophobicContact CG2-CB 3.78Å; I172-L214 HydrophobicContact CG2-CD1 4.47Å; L214-L216 HydrophobicContact CD2-CD2 3.98Å
215	S	97.4	Very high	92.5	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.028	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.3	177.7	-171.4	0	0	0	0	113	R168 D169 T217 A218 Q219 G220 K221	R168-S215 CarbonylContact O-C 3.57Å; D169-S215 VanDerWaalsContact OD1-CA 3.23Å; D169-S215 WeakPolarHBondContact OD1-CA 3.3Å; D169-S215 WeakPolarHBondContact OD1-CB 3.22Å; D169-S215 PolarHBondContact OD1-OG 3.4Å; S215-T217 VanDerWaalsContact C-N 3.35Å; S215-T217 PolarHBondContact OG-N 2.83Å; S215-T217 PolarHBondContact OG-OG1 2.93Å; S215-A218 CarbonylContact O-C 3.49Å; S215-A218 PolarHBondContact O-N 3.5Å; S215-A218 PolarHBondContact OG-N 2.81Å; S215-Q219 PolarHBondContact O-N 2.97Å; S215-G220 VanDerWaalsContact O-CA 3.26Å; S215-G220 WeakPolarHBondContact O-CA 3.28Å; S215-G220 PolarHBondContact O-N 3.49Å; S215-K221 PolarHBondContact N-O 3.28Å
216	L	96.7	Very high	93.6	Very high	29 Å²	29	46.2 Å²	46.2	15%	0.152	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-35.4	170.1	-63.4	-172.2	0	0	0	112.3	R157 A160 K161 R168 F170 L214 A218 Q219	R157-L216 HydrophobicContact CB-CD2 4.4Å; R157-L216 HydrophobicContact CG-CD2 3.69Å; R157-L216 WeakPolarHBondContact O-CD2 3.26Å; A160-L216 HydrophobicContact CB-CD1 4.27Å; A160-L216 HydrophobicContact CB-CD2 4.18Å; K161-L216 HydrophobicContact CB-CD1 4.1Å; K161-L216 HydrophobicContact CB-CD2 4.31Å; R168-L216 WeakPolarHBondContact O-CB 3.27Å; R168-L216 PolarHBondContact O-N 3Å; F170-L216 HydrophobicContact CD2-CD1 4.5Å; F170-L216 HydrophobicContact CD2-CG 4.29Å; F170-L216 HydrophobicContact CE2-CD1 3.55Å; F170-L216 HydrophobicContact CE2-CG 3.76Å; F170-L216 HydrophobicContact CZ-CD1 4.23Å; L214-L216 HydrophobicContact CD2-CD2 3.98Å; L216-A218 PolarHBondContact O-N 3.17Å; L216-Q219 PolarHBondContact O-N 3.18Å
217	T	95.2	Very high	94.6	Very high	78 Å²	78	44.2 Å²	44.2	48%	0.479	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.3	177.6	58.2	0	0	0	0	112.5	R168 S215 Q219	R168-T217 HydrophobicContact CB-CG2 4.23Å; R168-T217 HydrophobicContact CG-CG2 3.96Å; R168-T217 PolarHBondContact NH2-OG1 3.48Å; S215-T217 VanDerWaalsContact C-N 3.35Å; S215-T217 PolarHBondContact OG-N 2.83Å; S215-T217 PolarHBondContact OG-OG1 2.93Å; T217-Q219 VanDerWaalsContact C-N 3.33Å
218	A	96.3	Very high	95.6	Very high	18 Å²	18	45.5 Å²	45.5	15%	0.149	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	27.8	170.9	0	0	0	0	0	112.4	S215 L216 G220 K221	S215-A218 CarbonylContact O-C 3.49Å; S215-A218 PolarHBondContact O-N 3.5Å; S215-A218 PolarHBondContact OG-N 2.81Å; L216-A218 PolarHBondContact O-N 3.17Å; A218-G220 VanDerWaalsContact C-N 3.31Å; A218-G220 PolarHBondContact O-N 2.82Å; A218-K221 HydrophobicContact CB-CB 3.9Å; A218-K221 HydrophobicContact CB-CG 4.44Å; A218-K221 VanDerWaalsContact O-CB 3.27Å; A218-K221 WeakPolarHBondContact O-CB 3.28Å; A218-K221 WeakPolarHBondContact O-CG 3.35Å; A218-K221 PolarHBondContact O-N 2.59Å; A218-K221 VanDerWaalsContact O-N 3.13Å
219	Q	95.6	Very high	96.4	Very high	153 Å²	153	37.7 Å²	37.7	72%	0.715	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	35.7	175.6	-52.1	-175.9	31.5	0	0	115	R157 S215 L216 T217	R157-Q219 VanDerWaalsContact CD-C 3.44Å; R157-Q219 VanDerWaalsContact CD-O 3.28Å; R157-Q219 WeakPolarHBondContact CD-O 3.3Å; S215-Q219 PolarHBondContact O-N 2.97Å; L216-Q219 PolarHBondContact O-N 3.18Å; T217-Q219 VanDerWaalsContact C-N 3.33Å
220	G	96.6	Very high	96.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	14.2	-179.5	0	0	0	0	0	114.1	N153 N195 S215 A218	N153-G220 PolarHBondContact ND2-O 2.82Å; N153-G220 PolarHBondContact OD1-O 3.25Å; N195-G220 PolarHBondContact ND2-O 2.65Å; S215-G220 VanDerWaalsContact O-CA 3.26Å; S215-G220 WeakPolarHBondContact O-CA 3.28Å; S215-G220 PolarHBondContact O-N 3.49Å; A218-G220 VanDerWaalsContact C-N 3.31Å; A218-G220 PolarHBondContact O-N 2.82Å
221	K	98.3	Very high	96.9	Very high	73 Å²	73	41.2 Å²	41.2	32%	0.317	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	153.7	172.8	-62.7	-73.3	172.4	-171.8	0	111.4	N195 D197 S215 A218	N195-K221 CarbonylContact O-C 3.54Å; N195-K221 VanDerWaalsContact O-CA 3.22Å; N195-K221 WeakPolarHBondContact O-CA 3.29Å; N195-K221 VanDerWaalsContact O-CD 3.3Å; N195-K221 WeakPolarHBondContact O-CD 3.42Å; N195-K221 WeakPolarHBondContact OD1-CD 3.28Å; N195-K221 PolarHBondContact OD1-NZ 2.94Å; D197-K221 HydrophobicContact CB-CB 3.78Å; S215-K221 PolarHBondContact N-O 3.28Å; A218-K221 HydrophobicContact CB-CB 3.9Å; A218-K221 HydrophobicContact CB-CG 4.44Å; A218-K221 VanDerWaalsContact O-CB 3.27Å; A218-K221 WeakPolarHBondContact O-CB 3.28Å; A218-K221 WeakPolarHBondContact O-CG 3.35Å; A218-K221 PolarHBondContact O-N 2.59Å; A218-K221 VanDerWaalsContact O-N 3.13Å
222	W	98	Very high	97	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	152.4	-173.7	-55.8	-7.4	0	0	0	111.6	P147 N153 I172 V174 F193 F194 N195 W196 D197 V212 A213	P147-W222 HydrophobicContact CB-CZ2 4.07Å; P147-W222 HydrophobicContact CG-CZ2 4.07Å; N153-W222 PolarHBondContact OD1-NE1 3.37Å; I172-W222 HydrophobicContact CD1-CD2 3.57Å; I172-W222 HydrophobicContact CD1-CE3 3.91Å; I172-W222 HydrophobicContact CD1-CG 4Å; I172-W222 HydrophobicContact CD1-CH2 4.16Å; I172-W222 HydrophobicContact CD1-CZ2 3.85Å; I172-W222 HydrophobicContact CD1-CZ3 4.18Å; V174-W222 HydrophobicContact CG2-CZ3 4.36Å; F193-W222 AromaticContact CD1-CH2 3.61Å; F193-W222 HydrophobicContact CD1-CH2 3.61Å; F193-W222 AromaticContact CD1-CZ2 3.92Å; F193-W222 HydrophobicContact CD1-CZ2 3.92Å; F193-W222 AromaticContact CE1-CH2 3.8Å; F193-W222 HydrophobicContact CE1-CH2 3.8Å; F193-W222 AromaticContact CE1-CZ2 3.63Å; F193-W222 HydrophobicContact CE1-CZ2 3.63Å; F193-W222 WeakPolarHBondContact O-CH2 3.49Å; F193-W222 WeakPolarHBondContact O-CZ3 3.5Å; F194-W222 HydrophobicContact CB-CZ3 4.49Å; F194-W222 HydrophobicContact CD1-CE3 4.5Å; F194-W222 HydrophobicContact CD1-CZ3 4.18Å; N195-W222 HydrophobicContact CB-CD2 3.96Å; N195-W222 HydrophobicContact CB-CG 4.11Å; N195-W222 HydrophobicContact CB-CZ2 4.24Å; N195-W222 PolarHBondContact O-N 3.01Å; W196-W222 HydrophobicContact CE3-CB 3.78Å; W196-W222 HydrophobicContact CZ3-CB 4.03Å; D197-W222 PolarHBondContact N-O 3.38Å; V212-W222 HydrophobicContact CG1-CB 3.83Å; V212-W222 HydrophobicContact CG1-CD2 4.39Å; V212-W222 HydrophobicContact CG1-CE3 4.24Å; V212-W222 HydrophobicContact CG1-CG 4.25Å; A213-W222 VanDerWaalsContact O-CA 3.29Å; A213-W222 WeakPolarHBondContact O-CA 3.3Å
223	Y	97.1	Very high	97	Very high	33 Å²	33	42.7 Å²	42.7	13%	0.129	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	149.8	172.5	66.7	-86.6	0	0	0	109.9	D169 Q202 A213 E225 K231	D169-Y223 HydrophobicContact CB-CE1 3.97Å; D169-Y223 WeakPolarHBondContact CB-OH 3.18Å; D169-Y223 PolarHBondContact OD2-OH 2.73Å; Q202-Y223 VanDerWaalsContact CD-CB 3.49Å; A213-Y223 HydrophobicContact CB-CD1 4.34Å; A213-Y223 HydrophobicContact CB-CE1 3.79Å; A213-Y223 HydrophobicContact CB-CE2 4.11Å; A213-Y223 PolarHBondContact N-O 2.94Å; A213-Y223 WeakPolarHBondContact O-CD1 2.98Å; A213-Y223 PolarHBondContact O-N 2.85Å; Y223-E225 HydrophobicContact CD2-CB 4.11Å; Y223-E225 HydrophobicContact CE2-CB 3.82Å; Y223-E225 HydrophobicContact CE2-CG 4.21Å; Y223-K231 WeakPolarHBondContact OH-CE 3.05Å; Y223-K231 PolarHBondContact OH-NZ 3.19Å
224	D	95.6	Very high	97	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.011	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	144.9	172.1	64.4	-26.5	0	0	0	110.2	Q202 P203 T204 G205 E209 C211	Q202-D224 PolarHBondContact OE1-OD1 2.95Å; P203-D224 WeakPolarHBondContact CA-OD1 3.21Å; P203-D224 HydrophobicContact CB-CB 3.89Å; P203-D224 VanDerWaalsContact CB-CG 3.48Å; P203-D224 WeakPolarHBondContact CB-OD2 3.42Å; T204-D224 VanDerWaalsContact N-CG 3.27Å; T204-D224 PolarHBondContact N-OD1 3.02Å; T204-D224 PolarHBondContact N-OD2 3.5Å; T204-D224 PolarHBondContact OG1-OD2 3.47Å; G205-D224 PolarHBondContact N-OD2 2.82Å; E209-D224 HydrophobicContact CB-CB 4.21Å; E209-D224 WeakPolarHBondContact O-CB 3.43Å; C211-D224 CarbonylContact O-C 3.55Å
225	E	95.7	Very high	96.9	Very high	36 Å²	36	42.7 Å²	42.7	17%	0.168	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	155	-169.2	173.9	70.8	-96.3	0	0	111	W171 E209 S210 C211 Y223 C227 S229 K231	W171-E225 HydrophobicContact CH2-CB 4.01Å; W171-E225 HydrophobicContact CH2-CG 3.55Å; W171-E225 HydrophobicContact CZ3-CB 4Å; W171-E225 HydrophobicContact CZ3-CG 4.01Å; E209-E225 CarbonylContact C-O 3.59Å; E209-E225 WeakPolarHBondContact CA-O 3.39Å; S210-E225 PolarHBondContact N-O 3.37Å; C211-E225 PolarHBondContact N-O 3Å; C211-E225 PolarHBondContact O-N 3.26Å; Y223-E225 HydrophobicContact CD2-CB 4.11Å; Y223-E225 HydrophobicContact CE2-CB 3.82Å; Y223-E225 HydrophobicContact CE2-CG 4.21Å; E225-C227 PolarHBondContact O-N 2.76Å; E225-S229 PolarHBondContact OE1-OG 3.37Å; E225-K231 VanDerWaalsContact CG-CE 3.45Å; E225-K231 IonicContact OE2-NZ 3.81Å; E225-K231 PolarHBondContact OE2-NZ 2.58Å
226	V	96.6	Very high	96.9	Very high	42 Å²	42	42.9 Å²	42.9	26%	0.255	21%	0.209	S	C	.	.			trans	-62.2	119.8	175.3	-176.5	0	0	0	0	110	W171 R208 E209 R228 S229	W171-V226 WeakPolarHBondContact CH2-O 3.23Å; R208-V226 WeakPolarHBondContact O-CA 3.07Å; E209-V226 HydrophobicContact CG-CG2 3.89Å; V226-R228 HydrophobicContact CG1-CB 4.28Å; V226-R228 PolarHBondContact O-N 3.39Å; V226-S229 VanDerWaalsContact O-CB 3.23Å; V226-S229 WeakPolarHBondContact O-CB 3.18Å; V226-S229 PolarHBondContact O-N 2.96Å; V226-S229 PolarHBondContact O-OG 3.27Å
227	C	96.7	Very high	96.7	Very high	18 Å²	18	42.3 Å²	42.3	12%	0.122	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.1	-177.9	-60.1	0	0	0	0	115.1	Y130 C211 E225 S229	Y130-C227 PolarHBondContact N-O 3.45Å; C211-C227 HydrophobicContact CB-CB 3.94Å; C211-C227 WeakPolarHBondContact CB-SG 3.18Å; C211-C227 VanDerWaalsContact SG-CA 3.58Å; C211-C227 WeakPolarHBondContact SG-CB 3.35Å; C211-C227 CovalentContact SG-SG 2.03Å; C211-C227 PolarHBondContact SG-SG 3.04Å; E225-C227 PolarHBondContact O-N 2.76Å; C227-S229 VanDerWaalsContact C-N 3.35Å
228	R	96.5	Very high	96.4	Very high	211 Å²	211	44.6 Å²	44.6	80%	0.796	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	1.9	176.1	-62.9	-175.9	-174.2	166.4	1.5	113.3	H129 V226	H129-R228 PolarHBondContact CE1-O 3.25Å; H129-R228 VanDerWaalsContact ND1-C 3.3Å; H129-R228 PolarHBondContact ND1-O 3.38Å; V226-R228 HydrophobicContact CG1-CB 4.28Å; V226-R228 PolarHBondContact O-N 3.39Å
229	S	97.2	Very high	95.8	Very high	34 Å²	34	45.3 Å²	45.3	24%	0.238	21%	0.214	C	C	.	.	S	Bend	trans	-67	148	169.7	-67.8	0	0	0	0	109.4	H129 W171 E225 V226 C227	H129-S229 PolarHBondContact ND1-O 3.02Å; W171-S229 WeakPolarHBondContact CZ2-O 3.17Å; E225-S229 PolarHBondContact OE1-OG 3.37Å; V226-S229 VanDerWaalsContact O-CB 3.23Å; V226-S229 WeakPolarHBondContact O-CB 3.18Å; V226-S229 PolarHBondContact O-N 2.96Å; V226-S229 PolarHBondContact O-OG 3.27Å; C227-S229 VanDerWaalsContact C-N 3.35Å
230	L	97.5	Very high	94.6	Very high	110 Å²	110	44.5 Å²	44.5	58%	0.576	22%	0.222	S	C	*	.			trans	-91.1	120.7	174.5	-71.8	171.2	0	0	0	108.6	P127	P127-L230 HydrophobicContact CB-CB 4.05Å
231	K	97.7	Very high	94.5	Very high	23 Å²	23	46.8 Å²	46.8	10%	0.1	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	153	173.2	-53.8	-172.9	-165.7	-75.4	0	110.5	P127 K128 D169 W171 A213 Y223 E225	P127-K231 VanDerWaalsContact CA-O 3.3Å; P127-K231 WeakPolarHBondContact CA-O 3.38Å; K128-K231 PolarHBondContact N-O 2.9Å; K128-K231 PolarHBondContact O-N 3.08Å; D169-K231 HydrophobicContact CB-CD 4.34Å; W171-K231 HydrophobicContact CD2-CB 4.16Å; W171-K231 HydrophobicContact CD2-CD 4.01Å; W171-K231 HydrophobicContact CD2-CG 4.32Å; W171-K231 HydrophobicContact CE3-CD 4.15Å; W171-K231 HydrophobicContact CG-CB 4.13Å; W171-K231 HydrophobicContact CH2-CD 4.15Å; W171-K231 HydrophobicContact CZ2-CB 4.48Å; W171-K231 HydrophobicContact CZ2-CD 4Å; W171-K231 HydrophobicContact CZ2-CG 3.97Å; W171-K231 HydrophobicContact CZ3-CD 4.21Å; A213-K231 HydrophobicContact CB-CD 3.83Å; Y223-K231 WeakPolarHBondContact OH-CE 3.05Å; Y223-K231 PolarHBondContact OH-NZ 3.19Å; E225-K231 VanDerWaalsContact CG-CE 3.45Å; E225-K231 IonicContact OE2-NZ 3.81Å; E225-K231 PolarHBondContact OE2-NZ 2.58Å
232	K	97.9	Very high	94.3	Very high	28 Å²	28	45.4 Å²	45.4	12%	0.122	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	159.7	164.6	-62.4	-164.8	-179.7	-150.4	0	108.9	E125 P127 T164 I167 F170 W171	E125-K232 WeakPolarHBondContact O-CD 3.32Å; E125-K232 WeakPolarHBondContact O-CE 3.42Å; E125-K232 WeakPolarHBondContact O-CG 3.21Å; E125-K232 PolarHBondContact O-NZ 2.87Å; E125-K232 IonicContact OE2-NZ 3.01Å; P127-K232 HydrophobicContact CG-CG 4.2Å; T164-K232 HydrophobicContact CG2-CD 4.22Å; I167-K232 HydrophobicContact CD1-CD 4.32Å; I167-K232 HydrophobicContact CG1-CD 3.98Å; I167-K232 HydrophobicContact CG2-CD 4.14Å; I167-K232 HydrophobicContact CG2-CG 4.43Å; F170-K232 CarbonylContact C-O 3.5Å; F170-K232 WeakPolarHBondContact CA-O 3.37Å; F170-K232 HydrophobicContact CD1-CB 3.68Å; F170-K232 HydrophobicContact CE1-CB 3.7Å; F170-K232 HydrophobicContact CE1-CD 4.32Å; W171-K232 PolarHBondContact N-O 3.17Å
233	Y	98.3	Very high	94.1	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.5	-174.6	56.9	-82.3	0	0	0	110.2	N124 E126 K128 A133 D136 L144	N124-Y233 HydrophobicContact CB-CD1 4.26Å; N124-Y233 HydrophobicContact CB-CD2 3.96Å; N124-Y233 HydrophobicContact CB-CE1 3.81Å; N124-Y233 HydrophobicContact CB-CE2 3.49Å; N124-Y233 VanDerWaalsContact CB-CE2 3.49Å; N124-Y233 HydrophobicContact CB-CG 4.31Å; N124-Y233 PolarHBondContact N-O 3.38Å; N124-Y233 VanDerWaalsContact ND2-CE2 3.29Å; N124-Y233 WeakPolarHBondContact ND2-CE2 3.35Å; E126-Y233 VanDerWaalsContact O-CE1 3.28Å; E126-Y233 WeakPolarHBondContact O-CE1 3.43Å; K128-Y233 HydrophobicContact CB-CD1 4.35Å; K128-Y233 HydrophobicContact CB-CE1 3.89Å; K128-Y233 HydrophobicContact CD-CE1 3.83Å; K128-Y233 WeakPolarHBondContact CD-OH 3.36Å; K128-Y233 WeakPolarHBondContact CE-OH 3.25Å; K128-Y233 HydrophobicContact CG-CE1 3.81Å; A133-Y233 HydrophobicContact CB-CD1 3.59Å; A133-Y233 HydrophobicContact CB-CD2 3.85Å; A133-Y233 HydrophobicContact CB-CE1 4.01Å; A133-Y233 HydrophobicContact CB-CE2 4.23Å; A133-Y233 HydrophobicContact CB-CG 3.53Å; D136-Y233 HydrophobicContact CB-CE2 4.09Å; D136-Y233 WeakPolarHBondContact OD2-CE2 3.39Å; D136-Y233 PolarHBondContact OD2-OH 2.84Å; L144-Y233 HydrophobicContact CD2-CD2 4Å; L144-Y233 HydrophobicContact CD2-CG 4.23Å
234	I	97.9	Very high	93.9	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.7	-179.4	-60.7	170.2	0	0	0	106.4	Y121 L122 L123 A145 V156 Y159 A160 F170	Y121-I234 HydrophobicContact CD1-CG2 4.27Å; L122-I234 CarbonylContact O-C 3.55Å; L122-I234 WeakPolarHBondContact O-CA 3.4Å; L123-I234 HydrophobicContact CB-CG1 4.26Å; L123-I234 HydrophobicContact CD1-CG1 4.37Å; L123-I234 HydrophobicContact CG-CG1 4.34Å; A145-I234 HydrophobicContact CB-CB 4.07Å; A145-I234 HydrophobicContact CB-CG2 3.95Å; A145-I234 VanDerWaalsContact CB-O 3.26Å; A145-I234 WeakPolarHBondContact CB-O 3.34Å; A145-I234 PolarHBondContact N-O 3.22Å; V156-I234 HydrophobicContact CG1-CD1 3.7Å; Y159-I234 HydrophobicContact CD1-CD1 4.48Å; Y159-I234 HydrophobicContact CD1-CG2 4.43Å; Y159-I234 HydrophobicContact CE1-CG2 4.35Å; A160-I234 HydrophobicContact CB-CD1 3.69Å; F170-I234 HydrophobicContact CD1-CD1 4.31Å; F170-I234 HydrophobicContact CD1-CG1 4.3Å; F170-I234 HydrophobicContact CG-CD1 4.36Å
235	C	97.2	Very high	93.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	142.5	171.9	-55.1	0	0	0	0	109.6	Y121 L122 N124 C137 T143 Y237	Y121-C235 CarbonylContact C-O 3.32Å; Y121-C235 VanDerWaalsContact CA-O 3.26Å; Y121-C235 WeakPolarHBondContact CA-O 3.3Å; L122-C235 PolarHBondContact N-O 3.35Å; L122-C235 PolarHBondContact O-N 3.18Å; N124-C235 PolarHBondContact ND2-SG 3.23Å; C137-C235 WeakPolarHBondContact CA-SG 3.38Å; C137-C235 HydrophobicContact CB-CB 3.77Å; C137-C235 WeakPolarHBondContact CB-SG 3.26Å; C137-C235 WeakPolarHBondContact SG-CA 3.33Å; C137-C235 WeakPolarHBondContact SG-CB 3.25Å; C137-C235 CovalentContact SG-SG 2.03Å; C137-C235 PolarHBondContact SG-SG 3.21Å; T143-C235 CarbonylContact O-C 3.48Å; T143-C235 WeakPolarHBondContact O-CA 3.28Å; C235-Y237 HydrophobicContact CB-CD2 4.46Å; C235-Y237 HydrophobicContact CB-CE2 3.56Å
236	E	95.9	Very high	93.7	Very high	7 Å²	7	52.7 Å²	52.7	3%	0.033	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	145.4	166.5	72.9	177.1	-148.8	0	0	111.6	K119 C120 Y121 G142 T143 A145 T146	K119-E236 IonicContact NZ-OE1 3.48Å; K119-E236 PolarHBondContact NZ-OE1 3.39Å; K119-E236 IonicContact NZ-OE2 3.55Å; K119-E236 PolarHBondContact NZ-OE2 3.28Å; C120-E236 CarbonylContact O-C 3.54Å; C120-E236 VanDerWaalsContact O-CA 3.31Å; C120-E236 WeakPolarHBondContact O-CA 2.96Å; Y121-E236 HydrophobicContact CD1-CB 3.69Å; Y121-E236 HydrophobicContact CE1-CB 3.57Å; G142-E236 CarbonylContact C-O 3.41Å; G142-E236 WeakPolarHBondContact CA-O 3.35Å; T143-E236 PolarHBondContact N-O 3.34Å; T143-E236 PolarHBondContact O-N 3.48Å; T143-E236 WeakPolarHBondContact OG1-CG 3.09Å; A145-E236 HydrophobicContact CB-CB 4.22Å; T146-E236 PolarHBondContact N-OE2 3.41Å
237	Y	92.8	Very high	93.5	Very high	18 Å²	18	53.5 Å²	53.5	7%	0.071	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.8	179.9	-57.5	-101.4	0	0	0	107.6	V109 K119 C120 L122 Q140 C235	V109-Y237 HydrophobicContact CG1-CD1 4.4Å; V109-Y237 HydrophobicContact CG1-CD2 3.36Å; V109-Y237 HydrophobicContact CG1-CE1 4.4Å; V109-Y237 HydrophobicContact CG1-CE2 3.36Å; V109-Y237 HydrophobicContact CG1-CG 3.9Å; V109-Y237 HydrophobicContact CG2-CD1 4.38Å; V109-Y237 HydrophobicContact CG2-CE1 4.15Å; V109-Y237 HydrophobicContact CG2-CE2 4.46Å; K119-Y237 CarbonylContact C-O 3.59Å; K119-Y237 VanDerWaalsContact CA-O 3.27Å; K119-Y237 WeakPolarHBondContact CA-O 3.4Å; C120-Y237 PolarHBondContact N-O 3.22Å; C120-Y237 PolarHBondContact O-N 3.37Å; L122-Y237 HydrophobicContact CB-CE2 3.97Å; Q140-Y237 HydrophobicContact CB-CE1 4.36Å; Q140-Y237 VanDerWaalsContact CB-OH 3.29Å; Q140-Y237 WeakPolarHBondContact CB-OH 3.37Å; Q140-Y237 WeakPolarHBondContact O-CE1 3.42Å; Q140-Y237 PolarHBondContact OE1-OH 3.32Å; C235-Y237 HydrophobicContact CB-CD2 4.46Å; C235-Y237 HydrophobicContact CB-CE2 3.56Å
238	I	89.9	Confident	93.2	Very high	125 Å²	125	56.2 Å²	56.2	64%	0.641	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	127.7	178	-58.9	174.5	0	0	0	107.7	P240	I238-P240 WeakPolarHBondContact O-CD 3.4Å
239	I	83.6	Confident	93	Very high	34 Å²	34	43.3 Å²	43.3	17%	0.174	24%	0.238	C	C	.	.			trans	-85.4	116.3	171.2	-54	169	0	0	0	106.4	L106 K115 R118	L106-I239 HydrophobicContact CD1-CB 4.5Å; L106-I239 HydrophobicContact CD1-CD1 3.59Å; L106-I239 HydrophobicContact CD1-CG1 3.76Å; L106-I239 HydrophobicContact CD1-CG2 3.94Å; K115-I239 HydrophobicContact CD-CD1 3.99Å; K115-I239 HydrophobicContact CG-CD1 4.01Å; R118-I239 PolarHBondContact O-N 3.22Å
240	P	69.8	Low	92.6	Very high	136 Å²	136	44.2 Å²	44.2	88%	0.883	24%	0.238	S	C	*	.			trans	-57.6	0	176.6	-24.3	36.5	0	0	0	113.3	E102 I238	E102-P240 HydrophobicContact CG-CG 4.11Å; I238-P240 WeakPolarHBondContact O-CD 3.4Å

Retrieved 240 of 240 residues in 624.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).