A0A087YLV4_POEFO Loading...

Matrix metallopeptidase 11

AlphaFold DB , UniProt , Accession A0A087YLV4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 481 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	35.9	Very low	251 Å²	251	156.7 Å²	156.7	100%	1.236	82%	0.822	S	S	*	*				0	113.4	0	-93.4	175.4	165.7	0	0	108.2
2	M	31.7	Very low	35.8	Very low	164 Å²	164	152.5 Å²	152.5	81%	0.808	82%	0.815	S	S	*	*			trans	-72.3	146.5	-177.1	-68.8	151.4	74.6	0	0	111.6	V4	M2-V4 HydrophobicContact CE-CG2 3.88Å
3	R	40.1	Very low	35.7	Very low	254 Å²	254	148.6 Å²	148.6	96%	0.958	81%	0.807	S	S	*	*			trans	-132.7	112.3	140.4	-84.5	-167.3	170.6	175.8	-2.8	109.9
4	V	34.7	Very low	35.7	Very low	92 Å²	92	148 Å²	148	56%	0.558	80%	0.802	S	S	*	*			trans	-86	140.3	173.8	167.7	0	0	0	0	107.8	M2 L6	M2-V4 HydrophobicContact CE-CG2 3.88Å; V4-L6 HydrophobicContact CG1-CD1 3.47Å; V4-L6 VanDerWaalsContact CG1-CD1 3.47Å
5	V	43.6	Very low	35.7	Very low	135 Å²	135	150.5 Å²	150.5	82%	0.818	81%	0.806	S	S	*	*			trans	-128.1	106.1	158.4	178.8	0	0	0	0	107.5
6	L	35.8	Very low	35.8	Very low	133 Å²	133	148.6 Å²	148.6	70%	0.696	79%	0.794	S	S	*	*			trans	-71.7	145.5	160.8	-92.7	83.1	0	0	0	108.8	V4	V4-L6 HydrophobicContact CG1-CD1 3.47Å; V4-L6 VanDerWaalsContact CG1-CD1 3.47Å
7	F	37.1	Very low	35.7	Very low	210 Å²	210	150.2 Å²	150.2	92%	0.921	80%	0.802	S	S	*	*			trans	-135.3	134.9	138.6	-111.8	-85	0	0	0	110.4
8	C	32.3	Very low	35.6	Very low	108 Å²	108	149.3 Å²	149.3	73%	0.73	80%	0.797	S	S	*	*			trans	-99.4	149.9	-159.6	-170.3	0	0	0	0	111.3
9	C	32.8	Very low	35.2	Very low	112 Å²	112	147.9 Å²	147.9	76%	0.757	80%	0.798	S	S	*	*			trans	-64.1	159.7	166.7	-60.3	0	0	0	0	113.1
10	C	33.2	Very low	35	Very low	111 Å²	111	145.4 Å²	145.4	75%	0.75	80%	0.799	S	S	*	*				165.6	114	129.1	-86.4	0	0	0	0	109.4
11	L	35.2	Very low	35.1	Very low	154 Å²	154	142.9 Å²	142.9	81%	0.806	80%	0.797	S	S	*	*				84.6	119.2	87.3	-77.7	171.7	0	0	0	116.4
12	S	34.5	Very low	35.2	Very low	106 Å²	106	136.6 Å²	136.6	74%	0.741	78%	0.775	S	S	*	*			trans	89.6	142.5	132.2	67.7	0	0	0	0	118.1
13	S	34.7	Very low	35.1	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	78%	0.775	S	S	*	*			cis	-166.7	155.9	32.8	-46.2	0	0	0	0	113.2
14	L	35.3	Very low	34.6	Very low	140 Å²	140	129.6 Å²	129.6	73%	0.733	76%	0.763	S	S	*	*			trans	26.2	135	141.4	-95.2	70.4	0	0	0	122.7
15	H	35.7	Very low	34.3	Very low	186 Å²	186	134.4 Å²	134.4	86%	0.861	78%	0.78	S	S	*	*				-162.2	133.3	111	-111.2	-68.8	0	0	0	114.2
16	L	37.2	Very low	33.5	Very low	119 Å²	119	131.8 Å²	131.8	62%	0.623	78%	0.78	S	S	*	*			trans	-66.8	154.6	167.2	-85.3	83.6	0	0	0	112.4	L18	L16-L18 HydrophobicContact CD2-CD1 4.01Å
17	L	34.1	Very low	33	Very low	177 Å²	177	128.8 Å²	128.8	93%	0.927	78%	0.782	S	S	*	*			trans	-153	129.4	135	-112.3	134.2	0	0	0	112.8
18	L	33.5	Very low	32.6	Very low	134 Å²	134	125.4 Å²	125.4	70%	0.702	78%	0.778	S	S	*	*			trans	-75.7	159.4	173.8	-77.3	87.7	0	0	0	112.3	L16	L16-L18 HydrophobicContact CD2-CD1 4.01Å
19	C	29.5	Very low	32.4	Very low	122 Å²	122	124.5 Å²	124.5	82%	0.824	78%	0.779	S	S	*	*				163.2	110.9	121.6	-87.4	0	0	0	0	108.9
20	A	31.2	Very low	32.2	Very low	98 Å²	98	126.9 Å²	126.9	81%	0.81	78%	0.782	S	S	*	*				94.4	119.6	81	0	0	0	0	0	112.6
21	A	35.5	Very low	31.8	Very low	93 Å²	93	125.9 Å²	125.9	77%	0.769	78%	0.777	S	S	*	*			trans	-78.8	170	171.2	0	0	0	0	0	112
22	P	41	Very low	31.3	Very low	119 Å²	119	125.1 Å²	125.1	77%	0.773	77%	0.773	S	S	*	*				-142.2	152.1	94	31.8	-12.5	0	0	0	113.5
23	L	29.7	Very low	30.9	Very low	155 Å²	155	128.6 Å²	128.6	81%	0.812	78%	0.777	S	S	*	*				42.7	131.4	82.9	-72.2	169.3	0	0	0	113
24	T	29.7	Very low	30.3	Very low	115 Å²	115	127 Å²	127	71%	0.706	78%	0.776	S	S	*	*			cis	-168.5	151.3	24.5	31.5	0	0	0	0	108.4
25	E	28	Very low	29.9	Very low	193 Å²	193	125.8 Å²	125.8	90%	0.902	78%	0.78	S	S	*	*				151.5	144	114.8	-83.1	-168.2	152.8	0	0	105.3
26	G	26.5	Very low	29.8	Very low	81 Å²	81	122.6 Å²	122.6	84%	0.835	78%	0.776	S	S	*	*			cis	122.2	112.3	23.9	0	0	0	0	0	108.6
27	G	27.1	Very low	29.3	Very low	70 Å²	70	125.6 Å²	125.6	72%	0.722	79%	0.786	S	S	*	*			trans	127.4	97.2	153.8	0	0	0	0	0	120.5
28	T	28.5	Very low	28.8	Very low	139 Å²	139	121.6 Å²	121.6	85%	0.853	77%	0.773	S	S	*	*				52	110.3	126.8	49.8	0	0	0	0	123.7
29	A	28.4	Very low	28.4	Very low	89 Å²	89	122.2 Å²	122.2	74%	0.736	78%	0.777	S	S	*	*				55.6	146.4	110.6	0	0	0	0	0	123.7
30	I	28.5	Very low	28.2	Very low	161 Å²	161	120.5 Å²	120.5	83%	0.826	77%	0.767	S	S	*	*			trans	109	104.7	147.4	-56.9	-176.4	0	0	0	118.5
31	S	24.7	Very low	28.1	Very low	91 Å²	91	124.1 Å²	124.1	64%	0.636	77%	0.766	S	S	*	*				86	128.3	120.9	-164.2	0	0	0	0	125.3
32	L	24.7	Very low	27.5	Very low	138 Å²	138	125.2 Å²	125.2	72%	0.723	76%	0.763	S	S	*	*			trans	55.4	132.5	133.8	-67.6	164.9	0	0	0	123.8
33	Q	24.5	Very low	26.8	Very low	178 Å²	178	126 Å²	126	83%	0.832	77%	0.766	S	S	*	*			trans	75.3	118.2	135.1	-80.5	173.9	-0.5	0	0	121
34	G	22.5	Very low	26.6	Very low	68 Å²	68	124.8 Å²	124.8	70%	0.701	76%	0.759	S	S	*	*				107.3	105.6	106	0	0	0	0	0	118.3
35	S	27	Very low	26.4	Very low	115 Å²	115	129.4 Å²	129.4	80%	0.804	77%	0.769	S	S	*	*			trans	52	151.6	136	-48.7	0	0	0	0	120.7
36	P	33.4	Very low	26.2	Very low	120 Å²	120	130.3 Å²	130.3	78%	0.779	77%	0.765	S	S	*	*				-148.8	152.1	80.3	32.9	-10.9	0	0	0	118.4
37	H	26.4	Very low	26	Very low	181 Å²	181	138.2 Å²	138.2	84%	0.838	77%	0.769	S	S	*	*			trans	4.4	145.1	147	-63.5	-68.3	0	0	0	122.5
38	S	24.6	Very low	25.9	Very low	93 Å²	93	138.5 Å²	138.5	65%	0.65	77%	0.773	S	S	*	*				171.8	146.5	84.5	-163.9	0	0	0	0	116.2
39	N	25.3	Very low	25.7	Very low	147 Å²	147	143.5 Å²	143.5	79%	0.786	78%	0.776	S	S	*	*			trans	72.9	140.9	152.5	-71.7	-16.2	0	0	0	121.6
40	S	25.9	Very low	25.5	Very low	87 Å²	87	148.6 Å²	148.6	61%	0.608	78%	0.784	S	S	*	*			cis	-177.4	166.4	-11.3	48.1	0	0	0	0	109.7
41	H	27.4	Very low	25.4	Very low	174 Å²	174	149.9 Å²	149.9	81%	0.806	78%	0.784	S	S	*	*			trans	102.5	90.6	160	-70.3	-74.6	0	0	0	122.7
42	V	24.6	Very low	25.6	Very low	116 Å²	116	154.8 Å²	154.8	70%	0.703	80%	0.796	S	S	*	*			trans	-14.5	139.6	131.8	-168.8	0	0	0	0	115.5
43	V	25.9	Very low	25.5	Very low	136 Å²	136	155.2 Å²	155.2	82%	0.824	80%	0.799	S	S	*	*				-167.3	143.4	88.8	162.8	0	0	0	0	112.8
44	L	25.2	Very low	25.4	Very low	128 Å²	128	152.6 Å²	152.6	67%	0.67	80%	0.796	S	S	*	*			trans	-65.9	157.7	177.5	-69.9	104.2	0	0	0	117
45	K	24.4	Very low	25.6	Very low	213 Å²	213	156.9 Å²	156.9	93%	0.926	80%	0.802	S	S	*	*				-154.6	124.8	123.2	-115.3	173.4	-176.4	176.4	0	113.9
46	R	24.1	Very low	25.4	Very low	212 Å²	212	158.2 Å²	158.2	80%	0.8	81%	0.805	S	S	*	*			trans	-76.5	150.9	168.8	-69.3	172.1	159.3	174.3	-7.3	110.9
47	R	23.4	Very low	25	Very low	246 Å²	246	161.4 Å²	161.4	93%	0.928	81%	0.81	S	S	*	*				159.3	153.5	94.9	-91.7	-179.5	169	173.2	-3.7	105
48	G	24.6	Very low	24.8	Very low	77 Å²	77	158.8 Å²	158.8	79%	0.794	81%	0.806	S	S	*	*			cis	177.3	155	7.6	0	0	0	0	0	108.6
49	R	24	Very low	24.8	Very low	243 Å²	243	161.8 Å²	161.8	92%	0.917	82%	0.815	S	S	*	*			trans	-55.4	152.7	-178.4	-78.7	170.3	160.4	168.5	-5.9	115.2
50	H	24.9	Very low	24.8	Very low	197 Å²	197	162.1 Å²	162.1	91%	0.912	81%	0.812	S	S	*	*				-153.7	140	126.7	-112.8	-79.6	0	0	0	112.2
51	K	27	Very low	24.8	Very low	188 Å²	188	163.8 Å²	163.8	82%	0.817	82%	0.823	S	S	*	*			trans	-80.8	146.7	179.5	-84.2	178.9	165.7	-173.4	0	111.8
52	Q	27	Very low	24.8	Very low	194 Å²	194	164.7 Å²	164.7	91%	0.907	82%	0.824	S	S	*	*			trans	-163.9	114	135.3	-115.1	166.1	-13.3	0	0	110.7
53	D	22.8	Very low	24.8	Very low	146 Å²	146	163.7 Å²	163.7	78%	0.781	82%	0.823	S	S	*	*			trans	-73.2	134.4	158.6	-74.2	-50.5	0	0	0	108
54	T	24.2	Very low	24.8	Very low	123 Å²	123	163.5 Å²	163.5	76%	0.755	82%	0.822	S	S	*	*				174.7	130	102.6	-3.3	0	0	0	0	111.4
55	L	24.8	Very low	25	Very low	159 Å²	159	164.8 Å²	164.8	83%	0.832	83%	0.829	S	S	*	*			trans	58.5	104.7	145.4	-70	156.8	0	0	0	120
56	T	23.7	Very low	25.3	Very low	143 Å²	143	160.2 Å²	160.2	88%	0.877	82%	0.818	S	S	*	*			trans	-150	147.1	138.8	0.1	0	0	0	0	110.3
57	Q	24.5	Very low	25.7	Very low	186 Å²	186	155.8 Å²	155.8	87%	0.869	82%	0.819	S	S	*	*			trans	-56.1	140.3	-159	-69.6	162.1	-42.9	0	0	115.8
58	V	22.8	Very low	26.3	Very low	127 Å²	127	154.7 Å²	154.7	77%	0.77	82%	0.815	S	S	*	*			trans	-90.4	116.8	160.5	179.2	0	0	0	0	106.7
59	D	24.5	Very low	26.8	Very low	155 Å²	155	157.8 Å²	157.8	83%	0.829	81%	0.814	S	S	*	*			trans	-118.8	135.9	164.9	-140.6	-10.9	0	0	0	109.9
60	H	26.3	Very low	27.5	Very low	155 Å²	155	153.8 Å²	153.8	72%	0.718	81%	0.805	S	S	*	*			trans	-84.3	124.9	-157.9	-83.3	-69.7	0	0	0	113.3
61	S	25.8	Very low	28.3	Very low	121 Å²	121	150.3 Å²	150.3	85%	0.846	80%	0.798	S	S	*	*			trans	-156.2	83.1	150.5	17.9	0	0	0	0	109.3
62	K	26.5	Very low	29.1	Very low	193 Å²	193	143.3 Å²	143.3	84%	0.839	78%	0.78	S	S	*	*			trans	-86.7	112.9	171.8	-87	-176.1	176.6	178.2	0	109.5
63	S	24.6	Very low	30.1	Very low	96 Å²	96	138.5 Å²	138.5	67%	0.671	76%	0.756	S	S	*	*			trans	-56	131.4	154.9	51.9	0	0	0	0	109.3	L65	S63-L65 VanDerWaalsContact C-N 3.29Å; S63-L65 PolarHBondContact O-N 2.79Å
64	V	26.6	Very low	31.4	Very low	131 Å²	131	140.5 Å²	140.5	79%	0.794	75%	0.753	S	S	*	*			trans	-77.1	85.2	174.3	179.8	0	0	0	0	107.6	V66	V64-V66 HydrophobicContact CG1-CG2 3.78Å; V64-V66 PolarHBondContact O-N 2.69Å
65	L	28.3	Very low	33.3	Very low	156 Å²	156	138.6 Å²	138.6	82%	0.817	74%	0.744	S	S	*	*			trans	-82.2	101.1	158.6	-99.2	151.8	0	0	0	106.8	S63 S67	S63-L65 VanDerWaalsContact C-N 3.29Å; S63-L65 PolarHBondContact O-N 2.79Å; L65-S67 PolarHBondContact O-N 2.75Å; L65-S67 VanDerWaalsContact O-N 3.08Å
66	V	30.8	Very low	36.2	Very low	117 Å²	117	136.1 Å²	136.1	71%	0.709	72%	0.724	S	S	*	*			trans	-69.8	100.7	171.2	179.6	0	0	0	0	107.8	V64 R68	V64-V66 HydrophobicContact CG1-CG2 3.78Å; V64-V66 PolarHBondContact O-N 2.69Å; V66-R68 HydrophobicContact CG1-CB 4.15Å
67	S	33.2	Very low	39.4	Very low	118 Å²	118	131.2 Å²	131.2	83%	0.825	70%	0.695	S	S	*	*			trans	-91.2	105.4	158.6	164.2	0	0	0	0	107.3	L65	L65-S67 PolarHBondContact O-N 2.75Å; L65-S67 VanDerWaalsContact O-N 3.08Å
68	R	35.7	Very low	42.8	Very low	224 Å²	224	124.6 Å²	124.6	85%	0.845	66%	0.662	S	S	*	*			trans	-155.6	110.3	170.3	-115.2	174.4	157.9	174.4	-7.1	109.9	V66	V66-R68 HydrophobicContact CG1-CB 4.15Å
69	N	35.4	Very low	46.2	Very low	141 Å²	141	118.8 Å²	118.8	75%	0.754	63%	0.627	S	S	*	*			trans	26.1	89	164.5	-78.3	-1.1	0	0	0	117.4	T71	N69-T71 PolarHBondContact O-N 2.79Å
70	E	37.6	Very low	49.6	Very low	159 Å²	159	112.1 Å²	112.1	74%	0.743	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-15.1	175.4	-69.1	-176.6	154	0	0	114.3
71	T	42.7	Very low	52.7	Low	124 Å²	124	104.9 Å²	104.9	76%	0.761	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-22	-175.5	51.6	0	0	0	0	114.8	N69 S75	N69-T71 PolarHBondContact O-N 2.79Å; T71-S75 PolarHBondContact O-OG 3.16Å; T71-S75 VanDerWaalsContact O-OG 3.11Å
72	G	44.1	Very low	55.7	Low	42 Å²	42	102.3 Å²	102.3	43%	0.433	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-15.2	-178.7	0	0	0	0	0	114.8	S75	G72-S75 WeakPolarHBondContact CA-OG 3.14Å; G72-S75 PolarHBondContact O-OG 3.49Å
73	F	47.3	Very low	58.6	Low	93 Å²	93	97 Å²	97	41%	0.408	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-41.6	-177.6	-176.9	-100.9	0	0	0	112	S75 R76 F245	F73-S75 VanDerWaalsContact C-N 3.27Å; F73-S75 PolarHBondContact O-N 2.68Å; F73-R76 PolarHBondContact O-N 2.81Å; F73-F245 HydrophobicContact CD1-CZ 4.31Å; F73-F245 HydrophobicContact CE1-CE1 4.19Å; F73-F245 HydrophobicContact CE1-CE2 4.11Å; F73-F245 AromaticContact CE1-CZ 3.44Å; F73-F245 HydrophobicContact CE1-CZ 3.44Å; F73-F245 VanDerWaalsContact CE1-CZ 3.44Å; F73-F245 HydrophobicContact CE2-CE1 4.47Å; F73-F245 AromaticContact CE2-CE2 3.93Å; F73-F245 HydrophobicContact CE2-CE2 3.93Å; F73-F245 AromaticContact CE2-CZ 3.88Å; F73-F245 HydrophobicContact CE2-CZ 3.88Å; F73-F245 HydrophobicContact CZ-CD2 4.41Å; F73-F245 HydrophobicContact CZ-CE1 4.09Å; F73-F245 AromaticContact CZ-CE2 3.39Å; F73-F245 HydrophobicContact CZ-CE2 3.39Å; F73-F245 AromaticContact CZ-CZ 3.19Å; F73-F245 HydrophobicContact CZ-CZ 3.19Å
74	W	49.2	Very low	60.9	Low	187 Å²	187	97.4 Å²	97.4	71%	0.708	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.2	-179.6	-58.8	111.8	0	0	0	114.4
75	S	66	Low	62.1	Low	83 Å²	83	96.7 Å²	96.7	58%	0.58	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	1.9	176.7	42.4	0	0	0	0	113.3	T71 G72 F73	T71-S75 PolarHBondContact O-OG 3.16Å; T71-S75 VanDerWaalsContact O-OG 3.11Å; G72-S75 WeakPolarHBondContact CA-OG 3.14Å; G72-S75 PolarHBondContact O-OG 3.49Å; F73-S75 VanDerWaalsContact C-N 3.27Å; F73-S75 PolarHBondContact O-N 2.68Å
76	R	84.4	Confident	62.7	Low	107 Å²	107	99 Å²	99	40%	0.404	51%	0.506	S	S	.	.	S	Bend	trans	-76.5	131	174.5	-68.3	-178.5	65.6	-163.6	-2.3	109.5	F73 F245 Y246	F73-R76 PolarHBondContact O-N 2.81Å; R76-F245 HydrophobicContact CB-CD1 4Å; R76-Y246 PolarHBondContact NH2-O 2.95Å
77	P	92.1	Very high	62.9	Low	41 Å²	41	100.2 Å²	100.2	27%	0.266	51%	0.513	S	S	.	.			trans	-54.2	141	171.2	-22.9	32.5	0	0	0	111.1	G184 L186 Y246	P77-G184 CarbonylContact C-O 3.43Å; P77-G184 VanDerWaalsContact CA-O 3.31Å; P77-G184 WeakPolarHBondContact CA-O 3.23Å; P77-L186 HydrophobicContact CB-CD1 3.83Å; P77-L186 HydrophobicContact CB-CD2 3.79Å; P77-L186 HydrophobicContact CB-CG 3.88Å; P77-Y246 VanDerWaalsContact O-CB 3.26Å; P77-Y246 WeakPolarHBondContact O-CB 3.18Å; P77-Y246 PolarHBondContact O-N 3.17Å
78	R	94.4	Very high	62.8	Low	46 Å²	46	98.9 Å²	98.9	17%	0.174	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	167.4	-172.9	63.7	170	-66.7	155.1	5.8	112.3	D83 G184 L186 P244 F245	R78-D83 IonicContact CZ-OD2 3.81Å; R78-D83 IonicContact NH1-OD2 2.93Å; R78-D83 PolarHBondContact NH1-OD2 2.9Å; R78-D83 IonicContact NH2-OD1 2.95Å; R78-D83 PolarHBondContact NH2-OD1 3.07Å; R78-D83 IonicContact NH2-OD2 3.56Å; R78-D83 PolarHBondContact NH2-OD2 2.87Å; R78-G184 PolarHBondContact N-O 3.37Å; R78-L186 PolarHBondContact O-N 2.87Å; R78-P244 CarbonylContact C-O 3.45Å; R78-P244 VanDerWaalsContact CA-O 3.24Å; R78-P244 WeakPolarHBondContact CA-O 3.48Å; R78-P244 WeakPolarHBondContact CB-O 3.44Å; R78-F245 HydrophobicContact CB-CD1 4.07Å
79	C	95.7	Very high	62.5	Low	5 Å²	5	94.5 Å²	94.5	3%	0.034	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	141.9	165.6	172.8	0	0	0	0	110.9	V81 H224 E225 H228 H234 P244	C79-V81 VanDerWaalsContact C-N 3.34Å; C79-V81 VanDerWaalsContact SG-CB 3.56Å; C79-V81 PolarHBondContact SG-N 2.95Å; C79-H224 VanDerWaalsContact CB-NE2 3.31Å; C79-H224 WeakPolarHBondContact CB-NE2 3.45Å; C79-E225 PolarHBondContact SG-OE1 3.18Å; C79-H228 PolarHBondContact SG-NE2 3.42Å; C79-H234 WeakPolarHBondContact CB-NE2 3.41Å; C79-H234 PolarHBondContact SG-NE2 2.92Å; C79-H234 VanDerWaalsContact SG-NE2 3.39Å; C79-P244 PolarHBondContact N-O 3.39Å
80	G	94.1	Very high	62.3	Low	15 Å²	15	95 Å²	95	16%	0.155	50%	0.503	C	S	.	.	S	Bend	trans	-80.3	-10	179.2	0	0	0	0	0	114.5	A187	G80-A187 PolarHBondContact N-O 3.3Å
81	V	93	Very high	62	Low	4 Å²	4	93.3 Å²	93.3	2%	0.024	51%	0.509	C	S	.	.	S	Bend	trans	-66.5	133.7	175.4	177	0	0	0	0	110.1	C79 H188 F191 H234	C79-V81 VanDerWaalsContact C-N 3.34Å; C79-V81 VanDerWaalsContact SG-CB 3.56Å; C79-V81 PolarHBondContact SG-N 2.95Å; V81-H188 HydrophobicContact CG2-CB 4.04Å; V81-F191 HydrophobicContact CG1-CE2 3.7Å; V81-F191 HydrophobicContact CG1-CZ 3.8Å; V81-H234 PolarHBondContact O-CE1 3.39Å
82	P	89.1	Confident	61.6	Low	66 Å²	66	91 Å²	91	43%	0.429	51%	0.509	S	S	.	.			trans	-65.7	141.1	-179.8	-24.3	34.1	0	0	0	114.2	Y84 Q233	P82-Y84 HydrophobicContact CB-CD2 4.31Å; P82-Y84 HydrophobicContact CB-CE2 3.96Å; P82-Y84 PolarHBondContact O-N 3.06Å; P82-Q233 PolarHBondContact O-NE2 2.86Å
83	D	85.9	Confident	60.9	Low	82 Å²	82	94.7 Å²	94.7	44%	0.439	53%	0.528	S	S	.	.			trans	-74.6	110.4	171.9	-56.6	-38	0	0	0	110.6	R78 H234	R78-D83 IonicContact CZ-OD2 3.81Å; R78-D83 IonicContact NH1-OD2 2.93Å; R78-D83 PolarHBondContact NH1-OD2 2.9Å; R78-D83 IonicContact NH2-OD1 2.95Å; R78-D83 PolarHBondContact NH2-OD1 3.07Å; R78-D83 IonicContact NH2-OD2 3.56Å; R78-D83 PolarHBondContact NH2-OD2 2.87Å; D83-H234 IonicContact OD1-CE1 3.26Å; D83-H234 PolarHBondContact OD1-CE1 3.25Å; D83-H234 IonicContact OD1-CG 3.67Å; D83-H234 IonicContact OD1-ND1 3.67Å; D83-H234 PolarHBondContact OD1-ND1 3.3Å
84	Y	72.7	Confident	60.4	Low	105 Å²	105	99.5 Å²	99.5	41%	0.412	55%	0.549	S	S	.	.	S	Bend	trans	-98.6	147.6	173.4	-83.2	-88.9	0	0	0	112.2	P82 F110	P82-Y84 HydrophobicContact CB-CD2 4.31Å; P82-Y84 HydrophobicContact CB-CE2 3.96Å; P82-Y84 PolarHBondContact O-N 3.06Å; Y84-F110 HydrophobicContact CD1-CD2 4.34Å; Y84-F110 AromaticContact CD1-CE2 3.6Å; Y84-F110 HydrophobicContact CD1-CE2 3.6Å; Y84-F110 HydrophobicContact CD1-CZ 4.29Å; Y84-F110 AromaticContact CD2-CD2 3.77Å; Y84-F110 HydrophobicContact CD2-CD2 3.77Å; Y84-F110 HydrophobicContact CD2-CE1 4.26Å; Y84-F110 AromaticContact CD2-CE2 3.36Å; Y84-F110 HydrophobicContact CD2-CE2 3.36Å; Y84-F110 HydrophobicContact CD2-CG 4.39Å; Y84-F110 AromaticContact CD2-CZ 3.65Å; Y84-F110 HydrophobicContact CD2-CZ 3.65Å; Y84-F110 AromaticContact CE1-CE2 3.74Å; Y84-F110 HydrophobicContact CE1-CE2 3.74Å; Y84-F110 AromaticContact CE1-CZ 3.99Å; Y84-F110 HydrophobicContact CE1-CZ 3.99Å; Y84-F110 HydrophobicContact CE2-CD2 4.3Å; Y84-F110 AromaticContact CE2-CE1 3.95Å; Y84-F110 HydrophobicContact CE2-CE1 3.95Å; Y84-F110 AromaticContact CE2-CE2 3.5Å; Y84-F110 HydrophobicContact CE2-CE2 3.5Å; Y84-F110 AromaticContact CE2-CZ 3.29Å; Y84-F110 HydrophobicContact CE2-CZ 3.29Å; Y84-F110 AromaticContact CG-CD2 3.79Å; Y84-F110 HydrophobicContact CG-CD2 3.79Å; Y84-F110 AromaticContact CG-CE2 3.42Å; Y84-F110 HydrophobicContact CG-CE2 3.42Å; Y84-F110 VanDerWaalsContact CG-CE2 3.42Å; Y84-F110 HydrophobicContact CG-CZ 4.13Å; Y84-F110 AromaticContact CZ-CE2 3.68Å; Y84-F110 AromaticContact CZ-CZ 3.48Å; Y84-F110 VanDerWaalsContact CZ-CZ 3.48Å
85	P	52.6	Low	59.5	Low	115 Å²	115	98.1 Å²	98.1	75%	0.747	55%	0.554	S	S	*	*	S	Bend	cis	-115.6	121.7	15.9	35.5	-20.2	0	0	0	113.1	V87	P85-V87 PolarHBondContact O-N 2.92Å
86	R	41.8	Very low	57.8	Low	205 Å²	205	101.4 Å²	101.4	77%	0.774	57%	0.565	S	S	*	*			trans	-0.2	100.1	173.4	-74.8	-174.3	170.6	-178.1	-2.3	116.6
87	V	33.9	Very low	55.5	Low	143 Å²	143	106.1 Å²	106.1	87%	0.867	59%	0.588	S	S	*	*			trans	-101.9	89	144.6	-176	0	0	0	0	107	P85	P85-V87 PolarHBondContact O-N 2.92Å
88	T	30.2	Very low	52.5	Low	89 Å²	89	114.1 Å²	114.1	55%	0.546	61%	0.613	S	S	.	*			trans	-118.6	124.9	157.7	32.5	0	0	0	0	107.8	L90	T88-L90 VanDerWaalsContact C-N 3.26Å; T88-L90 PolarHBondContact O-N 2.93Å
89	P	30.1	Very low	49.7	Very low	132 Å²	132	117.4 Å²	117.4	86%	0.857	64%	0.643	S	S	*	*			trans	-76.4	83.2	176	30.6	-29.9	0	0	0	108.4
90	L	31.8	Very low	46.8	Very low	152 Å²	152	126.2 Å²	126.2	80%	0.796	68%	0.676	S	S	*	*			trans	-87.4	114.6	165.5	-88.6	153	0	0	0	108.8	T88 G92	T88-L90 VanDerWaalsContact C-N 3.26Å; T88-L90 PolarHBondContact O-N 2.93Å; L90-G92 PolarHBondContact O-N 2.95Å
91	S	31.6	Very low	44.3	Very low	124 Å²	124	135.9 Å²	135.9	87%	0.867	71%	0.713	S	S	*	*			trans	-44.8	125.9	174.6	-165.4	0	0	0	0	112.4
92	G	33.7	Very low	41.6	Very low	74 Å²	74	142.8 Å²	142.8	76%	0.763	75%	0.746	S	S	*	*			trans	77.7	83	148	0	0	0	0	0	118.5	L90	L90-G92 PolarHBondContact O-N 2.95Å
93	S	29.3	Very low	39.1	Very low	121 Å²	121	151.6 Å²	151.6	85%	0.846	77%	0.77	S	S	*	*			trans	-160.2	123.5	133.2	-171.1	0	0	0	0	111.1
94	K	36.6	Very low	36.9	Very low	193 Å²	193	150.9 Å²	150.9	84%	0.839	78%	0.782	S	S	*	*			trans	-76.1	127.8	174.1	-69.4	171.2	178	172.3	0	108.6
95	L	29.8	Very low	35.6	Very low	158 Å²	158	153 Å²	153	83%	0.827	79%	0.793	S	S	*	*				177.2	140.1	128.2	-98.5	145.2	0	0	0	113.6
96	L	31.9	Very low	35.6	Very low	153 Å²	153	156.5 Å²	156.5	80%	0.801	79%	0.792	S	S	*	*			trans	78.9	83.6	160.8	-69.7	152.5	0	0	0	119	R98	L96-R98 PolarHBondContact O-N 2.93Å
97	K	34.6	Very low	35.8	Very low	205 Å²	205	148.5 Å²	148.5	89%	0.891	76%	0.762	S	S	*	*			trans	-51.9	116.8	149.8	-69.8	176.9	176.1	178.6	0	110.3
98	R	29.8	Very low	37	Very low	209 Å²	209	143.5 Å²	143.5	79%	0.789	74%	0.736	S	S	*	*			trans	-126.3	104.2	150.1	-86.3	-179.2	69.6	148.1	-2.6	109.9	L96 R100	L96-R98 PolarHBondContact O-N 2.93Å; R98-R100 PolarHBondContact O-N 2.9Å
99	S	36.1	Very low	38.4	Very low	115 Å²	115	142.1 Å²	142.1	80%	0.804	73%	0.725	S	S	*	*			trans	-51.9	118.3	160.4	158.8	0	0	0	0	110.5
100	R	34.2	Very low	39.7	Very low	190 Å²	190	140.5 Å²	140.5	72%	0.717	71%	0.705	S	S	*	*			trans	-139.3	113.5	146.5	-92.6	-175	180	165.4	-1.3	107.9	R98 E102	R98-R100 PolarHBondContact O-N 2.9Å; R100-E102 PolarHBondContact O-N 3.11Å
101	K	40.8	Very low	41	Very low	218 Å²	218	134.4 Å²	134.4	95%	0.948	68%	0.678	S	S	*	*			trans	-59.9	88.4	156.8	-94.2	176.9	166.8	177.2	0	107.1
102	E	36.6	Very low	43.2	Very low	150 Å²	150	129.2 Å²	129.2	70%	0.701	64%	0.644	S	S	*	*			trans	-89.2	126.7	159.8	-81.1	179.2	-177.2	0	0	107.6	R100 G104	R100-E102 PolarHBondContact O-N 3.11Å; E102-G104 PolarHBondContact O-N 2.8Å
103	R	37.7	Very low	45.9	Very low	251 Å²	251	130.7 Å²	130.7	95%	0.947	63%	0.627	S	S	*	*			trans	-58.5	106.9	171.5	-155.8	175	-177.3	175.5	-0.8	106	K105	R103-K105 PolarHBondContact O-N 2.88Å
104	G	38.3	Very low	49.1	Very low	66 Å²	66	126.1 Å²	126.1	68%	0.68	59%	0.591	S	S	*	*			trans	-52.3	123.3	-170.4	0	0	0	0	0	111.8	E102 R106	E102-G104 PolarHBondContact O-N 2.8Å; G104-R106 PolarHBondContact O-N 3.45Å
105	K	45.8	Very low	51.7	Low	149 Å²	149	122.9 Å²	122.9	65%	0.648	58%	0.583	S	S	*	*			trans	-61.8	131.3	168.7	-63.2	179.8	-179	-179.3	0	107.2	R103	R103-K105 PolarHBondContact O-N 2.88Å
106	R	53.6	Low	54.8	Low	190 Å²	190	119.6 Å²	119.6	72%	0.717	56%	0.562	S	S	*	*	S	Bend	trans	-80.5	-20.7	-175.6	-67.3	-173.6	-176.9	169	-1.7	113.3	G104	G104-R106 PolarHBondContact O-N 3.45Å
107	F	46.4	Very low	57.8	Low	36 Å²	36	114.4 Å²	114.4	16%	0.158	54%	0.537	C	S	.	.	S	Bend	trans	-110.1	144	174.7	56	-89.3	0	0	0	110.5	L109 R260 Y264	F107-L109 HydrophobicContact CD2-CD1 4.39Å; F107-L109 HydrophobicContact CD2-CD2 4.09Å; F107-L109 HydrophobicContact CD2-CG 3.99Å; F107-L109 HydrophobicContact CE2-CD1 3.97Å; F107-L109 HydrophobicContact CE2-CD2 4.38Å; F107-L109 HydrophobicContact CE2-CG 4.08Å; F107-R260 HydrophobicContact CD1-CB 4.38Å; F107-Y264 AromaticContact CE2-CD1 3.82Å; F107-Y264 HydrophobicContact CE2-CD1 3.82Å; F107-Y264 HydrophobicContact CE2-CD2 4.24Å; F107-Y264 HydrophobicContact CE2-CE1 4.43Å; F107-Y264 AromaticContact CE2-CG 3.7Å; F107-Y264 HydrophobicContact CE2-CG 3.7Å; F107-Y264 HydrophobicContact CZ-CD1 4.12Å; F107-Y264 AromaticContact CZ-CD2 3.68Å; F107-Y264 HydrophobicContact CZ-CD2 3.68Å; F107-Y264 HydrophobicContact CZ-CE2 4.31Å; F107-Y264 AromaticContact CZ-CG 3.55Å; F107-Y264 HydrophobicContact CZ-CG 3.55Å
108	A	57.8	Low	60.7	Low	38 Å²	38	108.7 Å²	108.7	31%	0.314	52%	0.516	S	S	.	.			trans	-97.3	138.9	177.8	0	0	0	0	0	110.6	Q233	A108-Q233 HydrophobicContact CB-CB 3.64Å; A108-Q233 HydrophobicContact CB-CG 3.81Å; A108-Q233 VanDerWaalsContact O-CB 3.28Å; A108-Q233 WeakPolarHBondContact O-CB 3.48Å; A108-Q233 PolarHBondContact O-N 3.42Å
109	L	60.5	Low	64	Low	61 Å²	61	98.7 Å²	98.7	32%	0.319	48%	0.478	S	S	.	.	B	Isolated β-bridge	trans	-124.4	129	174.5	-59.9	176.4	0	0	0	107.5	F107 L232 Y264 L265	F107-L109 HydrophobicContact CD2-CD1 4.39Å; F107-L109 HydrophobicContact CD2-CD2 4.09Å; F107-L109 HydrophobicContact CD2-CG 3.99Å; F107-L109 HydrophobicContact CE2-CD1 3.97Å; F107-L109 HydrophobicContact CE2-CD2 4.38Å; F107-L109 HydrophobicContact CE2-CG 4.08Å; L109-L232 HydrophobicContact CD2-CD2 4.04Å; L109-Y264 HydrophobicContact CD1-CD1 3.63Å; L109-Y264 HydrophobicContact CD1-CE1 3.58Å; L109-L265 HydrophobicContact CD1-CD2 3.97Å; L109-L265 HydrophobicContact CD2-CD1 3.96Å; L109-L265 HydrophobicContact CD2-CD2 3.97Å; L109-L265 HydrophobicContact CD2-CG 4.01Å
110	F	58	Low	66.9	Low	98 Å²	98	94 Å²	94	43%	0.43	45%	0.445	S	S	.	.			trans	-121	-22	177.8	-168.2	-101.1	0	0	0	112.4	Y84 F191 Q233	Y84-F110 HydrophobicContact CD1-CD2 4.34Å; Y84-F110 AromaticContact CD1-CE2 3.6Å; Y84-F110 HydrophobicContact CD1-CE2 3.6Å; Y84-F110 HydrophobicContact CD1-CZ 4.29Å; Y84-F110 AromaticContact CD2-CD2 3.77Å; Y84-F110 HydrophobicContact CD2-CD2 3.77Å; Y84-F110 HydrophobicContact CD2-CE1 4.26Å; Y84-F110 AromaticContact CD2-CE2 3.36Å; Y84-F110 HydrophobicContact CD2-CE2 3.36Å; Y84-F110 HydrophobicContact CD2-CG 4.39Å; Y84-F110 AromaticContact CD2-CZ 3.65Å; Y84-F110 HydrophobicContact CD2-CZ 3.65Å; Y84-F110 AromaticContact CE1-CE2 3.74Å; Y84-F110 HydrophobicContact CE1-CE2 3.74Å; Y84-F110 AromaticContact CE1-CZ 3.99Å; Y84-F110 HydrophobicContact CE1-CZ 3.99Å; Y84-F110 HydrophobicContact CE2-CD2 4.3Å; Y84-F110 AromaticContact CE2-CE1 3.95Å; Y84-F110 HydrophobicContact CE2-CE1 3.95Å; Y84-F110 AromaticContact CE2-CE2 3.5Å; Y84-F110 HydrophobicContact CE2-CE2 3.5Å; Y84-F110 AromaticContact CE2-CZ 3.29Å; Y84-F110 HydrophobicContact CE2-CZ 3.29Å; Y84-F110 AromaticContact CG-CD2 3.79Å; Y84-F110 HydrophobicContact CG-CD2 3.79Å; Y84-F110 AromaticContact CG-CE2 3.42Å; Y84-F110 HydrophobicContact CG-CE2 3.42Å; Y84-F110 VanDerWaalsContact CG-CE2 3.42Å; Y84-F110 HydrophobicContact CG-CZ 4.13Å; Y84-F110 AromaticContact CZ-CE2 3.68Å; Y84-F110 AromaticContact CZ-CZ 3.48Å; Y84-F110 VanDerWaalsContact CZ-CZ 3.48Å; F110-F191 HydrophobicContact CB-CD1 4.4Å; F110-F191 HydrophobicContact CB-CE1 3.99Å; F110-F191 HydrophobicContact CB-CZ 4.23Å; F110-F191 HydrophobicContact CD1-CD2 4.09Å; F110-F191 HydrophobicContact CD1-CE2 4Å; F110-F191 HydrophobicContact CD1-CG 4.46Å; F110-F191 HydrophobicContact CD1-CZ 4.27Å; F110-Q233 HydrophobicContact CB-CB 4.02Å; F110-Q233 HydrophobicContact CB-CG 4.08Å
111	G	58.4	Low	70	Confident	23 Å²	23	85.4 Å²	85.4	24%	0.237	41%	0.412	C	S	.	.	S	Bend	trans	-100.4	177.3	177.1	0	0	0	0	0	115.2
112	G	77.9	Confident	72.7	Confident	15 Å²	15	78.9 Å²	78.9	16%	0.155	38%	0.382	C	S	.	.			trans	-73.5	-160.8	158.6	0	0	0	0	0	111.7	P192	G112-P192 PolarHBondContact N-O 3.26Å; G112-P192 VanDerWaalsContact N-O 3.13Å
113	R	90.8	Very high	75.6	Confident	106 Å²	106	72.5 Å²	72.5	40%	0.4	35%	0.352	S	S	.	.			trans	-122.3	159.8	164.7	65.9	176.2	-175.1	91.7	-4.2	108.7	L265 Y266	R113-L265 HydrophobicContact CB-CB 4.39Å; R113-L265 HydrophobicContact CB-CD2 4.4Å; R113-L265 WeakPolarHBondContact CD-O 3.23Å; R113-Y266 HydrophobicContact CB-CE1 3.87Å
114	W	94.8	Very high	78.4	Confident	24 Å²	24	63.3 Å²	63.3	9%	0.091	32%	0.324	C	S	.	.			trans	-62.6	138.2	164.6	-65.1	99.3	0	0	0	110.1	K116 L119 D163 I164 E197 V229 Y266	W114-K116 VanDerWaalsContact C-N 3.29Å; W114-L119 HydrophobicContact CB-CD1 4.48Å; W114-L119 HydrophobicContact CB-CD2 3.94Å; W114-L119 HydrophobicContact CD2-CD2 3.72Å; W114-L119 HydrophobicContact CE3-CD2 4.05Å; W114-L119 HydrophobicContact CG-CD1 4.02Å; W114-L119 HydrophobicContact CG-CD2 3.67Å; W114-D163 HydrophobicContact CH2-CB 4.08Å; W114-D163 WeakPolarHBondContact CH2-O 3.05Å; W114-D163 HydrophobicContact CZ3-CB 4.16Å; W114-I164 HydrophobicContact CZ2-CG1 4.35Å; W114-E197 HydrophobicContact CH2-CG 4.38Å; W114-V229 HydrophobicContact CZ2-CG1 4.27Å; W114-V229 PolarHBondContact NE1-O 3.22Å; W114-Y266 HydrophobicContact CB-CE1 4.2Å; W114-Y266 PolarHBondContact N-OH 3.23Å; W114-Y266 VanDerWaalsContact N-OH 3.07Å
115	D	92.9	Very high	81.1	Confident	125 Å²	125	65.2 Å²	65.2	67%	0.668	31%	0.311	S	S	*	.	S	Bend	trans	-78	-20.8	178	-67.9	-28.1	0	0	0	111.7	R193	D115-R193 IonicContact OD1-CZ 2.87Å; D115-R193 IonicContact OD1-NH2 3.47Å; D115-R193 PolarHBondContact OD1-NH2 3.31Å
116	K	94.3	Very high	83.6	Confident	90 Å²	90	59.8 Å²	59.8	39%	0.391	29%	0.287	S	S	.	.			trans	-106.9	164.3	174.3	68	179.3	-173.8	169	0	111.9	W114 D118 L119 D163	W114-K116 VanDerWaalsContact C-N 3.29Å; K116-D118 WeakPolarHBondContact CD-O 3.38Å; K116-D118 VanDerWaalsContact CE-O 3.23Å; K116-D118 WeakPolarHBondContact CE-O 3.46Å; K116-D118 PolarHBondContact NZ-O 3.2Å; K116-L119 HydrophobicContact CG-CD2 3.97Å; K116-D163 WeakPolarHBondContact CE-OD1 3.36Å; K116-D163 WeakPolarHBondContact CE-OD2 3.42Å; K116-D163 IonicContact NZ-OD1 2.69Å; K116-D163 PolarHBondContact NZ-OD1 3.36Å; K116-D163 IonicContact NZ-OD2 3.98Å; K116-D163 PolarHBondContact NZ-OD2 3.46Å
117	T	94.4	Very high	85.5	Confident	43 Å²	43	50.9 Å²	50.9	26%	0.264	25%	0.254	S	S	.	.	S	Bend	trans	-110.6	-20.9	-178.6	43.6	0	0	0	0	113.4	P151 L152 T153	T117-P151 HydrophobicContact CG2-CB 4.32Å; T117-L152 HydrophobicContact CG2-CD2 4.08Å; T117-L152 CarbonylContact O-C 3.51Å; T117-L152 VanDerWaalsContact O-CA 3.32Å; T117-L152 WeakPolarHBondContact O-CA 2.99Å; T117-T153 PolarHBondContact O-N 3.32Å
118	D	96.6	Very high	87.6	Confident	85 Å²	85	57.1 Å²	57.1	46%	0.455	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	104.6	171.6	-171.6	33.5	0	0	0	109.5	K116 T153	K116-D118 WeakPolarHBondContact CD-O 3.38Å; K116-D118 VanDerWaalsContact CE-O 3.23Å; K116-D118 WeakPolarHBondContact CE-O 3.46Å; K116-D118 PolarHBondContact NZ-O 3.2Å; D118-T153 WeakPolarHBondContact CA-OG1 3.43Å; D118-T153 PolarHBondContact OD1-OG1 3.36Å
119	L	97.8	Very high	88.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.3	-175.8	-62.8	174.8	0	0	0	109.8	W114 K116 L152 T153 F154 R155 D163 I164 L230	W114-L119 HydrophobicContact CB-CD1 4.48Å; W114-L119 HydrophobicContact CB-CD2 3.94Å; W114-L119 HydrophobicContact CD2-CD2 3.72Å; W114-L119 HydrophobicContact CE3-CD2 4.05Å; W114-L119 HydrophobicContact CG-CD1 4.02Å; W114-L119 HydrophobicContact CG-CD2 3.67Å; K116-L119 HydrophobicContact CG-CD2 3.97Å; L119-L152 HydrophobicContact CD1-CD2 4.31Å; L119-T153 PolarHBondContact N-O 3.44Å; L119-F154 HydrophobicContact CB-CD1 3.99Å; L119-F154 HydrophobicContact CB-CE1 4.16Å; L119-F154 HydrophobicContact CD1-CD1 4.43Å; L119-F154 HydrophobicContact CD1-CE1 3.75Å; L119-F154 HydrophobicContact CD1-CZ 4.46Å; L119-F154 VanDerWaalsContact O-CA 3.29Å; L119-F154 WeakPolarHBondContact O-CA 3.43Å; L119-R155 PolarHBondContact O-N 2.89Å; L119-D163 HydrophobicContact CD2-CB 4.31Å; L119-I164 HydrophobicContact CB-CD1 4.49Å; L119-I164 HydrophobicContact CD1-CD1 4.46Å; L119-L230 HydrophobicContact CD1-CD2 3.7Å
120	T	98.1	Very high	90.2	Very high	16 Å²	16	55.7 Å²	55.7	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	143.5	176.1	53.5	0	0	0	0	110	R155 V157 A162 D163 I164	T120-R155 CarbonylContact C-O 3.5Å; T120-R155 VanDerWaalsContact CA-O 3.28Å; T120-R155 WeakPolarHBondContact CA-O 3.36Å; T120-V157 HydrophobicContact CG2-CG1 3.95Å; T120-A162 WeakPolarHBondContact OG1-CA 3.44Å; T120-D163 PolarHBondContact N-OD2 3.04Å; T120-D163 WeakPolarHBondContact O-CB 3.36Å; T120-D163 PolarHBondContact O-N 3.19Å; T120-D163 PolarHBondContact OG1-N 2.78Å; T120-D163 VanDerWaalsContact OG1-N 3.16Å; T120-D163 PolarHBondContact OG1-OD2 3.05Å; T120-I164 PolarHBondContact O-N 3.42Å
121	Y	98.4	Very high	91.7	Very high	10 Å²	10	54.3 Å²	54.3	4%	0.039	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	155	174.8	70.9	-90.3	0	0	0	112.1	I123 F143 F154 R155 E156 V157 I164 I166	Y121-I123 HydrophobicContact CE2-CG1 4.48Å; Y121-F143 AromaticContact CD1-CD2 3.77Å; Y121-F143 HydrophobicContact CD1-CD2 3.77Å; Y121-F143 AromaticContact CD1-CE2 3.48Å; Y121-F143 HydrophobicContact CD1-CE2 3.48Å; Y121-F143 VanDerWaalsContact CD1-CE2 3.48Å; Y121-F143 HydrophobicContact CD1-CZ 4.24Å; Y121-F143 AromaticContact CD2-CE2 3.92Å; Y121-F143 HydrophobicContact CD2-CE2 3.92Å; Y121-F143 AromaticContact CE1-CD2 3.68Å; Y121-F143 HydrophobicContact CE1-CD2 3.68Å; Y121-F143 AromaticContact CE1-CE2 3.83Å; Y121-F143 HydrophobicContact CE1-CE2 3.83Å; Y121-F143 HydrophobicContact CE2-CE2 4.24Å; Y121-F143 HydrophobicContact CG-CD2 4.24Å; Y121-F143 AromaticContact CG-CE2 3.51Å; Y121-F143 HydrophobicContact CG-CE2 3.51Å; Y121-F143 HydrophobicContact CG-CZ 4.18Å; Y121-F154 HydrophobicContact CD1-CB 4.38Å; Y121-F154 HydrophobicContact CE1-CB 4.34Å; Y121-R155 PolarHBondContact N-O 3.33Å; Y121-E156 HydrophobicContact CD2-CB 4.32Å; Y121-E156 HydrophobicContact CD2-CG 4.22Å; Y121-E156 HydrophobicContact CE1-CB 4.15Å; Y121-E156 HydrophobicContact CE2-CB 3.7Å; Y121-E156 HydrophobicContact CE2-CG 3.77Å; Y121-E156 CarbonylContact O-C 3.58Å; Y121-E156 VanDerWaalsContact O-CA 3.31Å; Y121-E156 WeakPolarHBondContact O-CA 3.44Å; Y121-V157 PolarHBondContact O-N 3.02Å; Y121-I164 CarbonylContact C-O 3.59Å; Y121-I164 WeakPolarHBondContact CA-O 3.32Å; Y121-I166 HydrophobicContact CD2-CD1 3.96Å; Y121-I166 HydrophobicContact CG-CD1 4.5Å
122	R	97.5	Very high	93.4	Very high	80 Å²	80	57.9 Å²	57.9	30%	0.302	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	134.8	177.1	172.2	176.3	68	98.7	2.2	110	V157 A162 I164 I165 I166	R122-V157 HydrophobicContact CB-CG2 4.46Å; R122-V157 WeakPolarHBondContact CB-O 3.47Å; R122-A162 HydrophobicContact CB-CB 3.68Å; R122-I164 PolarHBondContact N-O 3.42Å; R122-I165 HydrophobicContact CB-CD1 4.24Å; R122-I166 PolarHBondContact O-N 2.82Å
123	I	97.7	Very high	93.9	Very high	17 Å²	17	61.8 Å²	61.8	9%	0.087	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.5	174.1	-51.5	163.3	0	0	0	108.6	Y121 R125 F126 R136 L139 I166	Y121-I123 HydrophobicContact CE2-CG1 4.48Å; I123-R125 VanDerWaalsContact CG2-O 3.23Å; I123-R125 WeakPolarHBondContact CG2-O 3.28Å; I123-F126 HydrophobicContact CB-CE1 4.17Å; I123-F126 HydrophobicContact CB-CE2 4.2Å; I123-F126 HydrophobicContact CB-CZ 3.7Å; I123-F126 HydrophobicContact CD1-CE1 3.71Å; I123-F126 HydrophobicContact CD1-CZ 3.81Å; I123-F126 HydrophobicContact CG1-CZ 4.39Å; I123-F126 HydrophobicContact CG2-CD1 4.04Å; I123-F126 HydrophobicContact CG2-CD2 4.2Å; I123-F126 HydrophobicContact CG2-CE1 3.64Å; I123-F126 HydrophobicContact CG2-CE2 3.78Å; I123-F126 HydrophobicContact CG2-CG 4.3Å; I123-F126 HydrophobicContact CG2-CZ 3.48Å; I123-F126 VanDerWaalsContact CG2-CZ 3.48Å; I123-R136 HydrophobicContact CD1-CG 3.75Å; I123-L139 HydrophobicContact CD1-CD1 3.65Å; I123-L139 HydrophobicContact CG1-CD1 3.81Å; I123-I166 WeakPolarHBondContact CA-O 3.32Å
124	V	95.9	Very high	93.7	Very high	58 Å²	58	58.1 Å²	58.1	35%	0.352	28%	0.279	S	S	.	.			trans	-88.8	-48.1	-176.6	-178.1	0	0	0	0	111.4	I165 I166 D167	V124-I165 HydrophobicContact CG2-CG2 3.45Å; V124-I165 VanDerWaalsContact CG2-CG2 3.45Å; V124-I166 PolarHBondContact N-O 3.37Å; V124-D167 HydrophobicContact CB-CB 4.09Å; V124-D167 HydrophobicContact CG2-CB 4.33Å
125	R	96.2	Very high	93.7	Very high	106 Å²	106	57 Å²	57	40%	0.4	28%	0.275	S	S	.	.			trans	-131.9	158.6	177	-79.8	175.3	-80	-179.7	-18	110	I123 D167 F168 N169	I123-R125 VanDerWaalsContact CG2-O 3.23Å; I123-R125 WeakPolarHBondContact CG2-O 3.28Å; R125-D167 WeakPolarHBondContact CB-OD1 3.29Å; R125-D167 IonicContact CZ-OD1 3.21Å; R125-D167 IonicContact CZ-OD2 3.04Å; R125-D167 IonicContact NE-OD1 2.64Å; R125-D167 PolarHBondContact NE-OD1 2.89Å; R125-D167 IonicContact NE-OD2 2.64Å; R125-D167 VanDerWaalsContact NH2-CG 3.33Å; R125-D167 IonicContact NH2-OD1 2.67Å; R125-D167 PolarHBondContact NH2-OD1 3.27Å; R125-D167 IonicContact NH2-OD2 3.13Å; R125-D167 PolarHBondContact NH2-OD2 3.07Å; R125-F168 PolarHBondContact NE-O 2.95Å; R125-F168 PolarHBondContact NH1-O 2.71Å; R125-F168 WeakPolarHBondContact O-CD2 3.32Å; R125-N169 PolarHBondContact NH1-OD1 3.08Å; R125-N169 PolarHBondContact NH2-OD1 2.82Å
126	F	96.6	Very high	93.7	Very high	35 Å²	35	54 Å²	54	15%	0.154	25%	0.254	C	S	.	.			trans	-119.2	145.7	179	-68.4	-92	0	0	0	110.1	I123 E132 V135 R136 Y204	I123-F126 HydrophobicContact CB-CE1 4.17Å; I123-F126 HydrophobicContact CB-CE2 4.2Å; I123-F126 HydrophobicContact CB-CZ 3.7Å; I123-F126 HydrophobicContact CD1-CE1 3.71Å; I123-F126 HydrophobicContact CD1-CZ 3.81Å; I123-F126 HydrophobicContact CG1-CZ 4.39Å; I123-F126 HydrophobicContact CG2-CD1 4.04Å; I123-F126 HydrophobicContact CG2-CD2 4.2Å; I123-F126 HydrophobicContact CG2-CE1 3.64Å; I123-F126 HydrophobicContact CG2-CE2 3.78Å; I123-F126 HydrophobicContact CG2-CG 4.3Å; I123-F126 HydrophobicContact CG2-CZ 3.48Å; I123-F126 VanDerWaalsContact CG2-CZ 3.48Å; F126-E132 HydrophobicContact CB-CG 4.18Å; F126-E132 HydrophobicContact CD1-CB 3.82Å; F126-E132 HydrophobicContact CD1-CG 3.93Å; F126-E132 HydrophobicContact CD2-CB 4.38Å; F126-E132 HydrophobicContact CD2-CG 3.78Å; F126-E132 HydrophobicContact CE1-CB 3.81Å; F126-E132 HydrophobicContact CE1-CG 4.25Å; F126-E132 HydrophobicContact CE2-CB 4.39Å; F126-E132 HydrophobicContact CE2-CG 4.13Å; F126-E132 HydrophobicContact CG-CB 4.12Å; F126-E132 HydrophobicContact CG-CG 3.69Å; F126-E132 HydrophobicContact CZ-CB 4.12Å; F126-E132 HydrophobicContact CZ-CG 4.36Å; F126-V135 HydrophobicContact CD1-CB 3.67Å; F126-V135 HydrophobicContact CD1-CG1 3.67Å; F126-V135 HydrophobicContact CD1-CG2 4.11Å; F126-V135 HydrophobicContact CE1-CB 3.99Å; F126-V135 HydrophobicContact CE1-CG1 3.93Å; F126-R136 HydrophobicContact CE1-CG 4.16Å; F126-R136 HydrophobicContact CZ-CG 4.41Å; F126-R136 VanDerWaalsContact CZ-NH2 3.28Å; F126-Y204 WeakPolarHBondContact O-CE2 3.5Å
127	P	94.4	Very high	93.5	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.019	25%	0.248	C	C	.	.			trans	-65.5	147.2	171.8	29.2	-35.5	0	0	0	110.5	Q129 V135 F168 W208	P127-Q129 VanDerWaalsContact C-N 3.31Å; P127-Q129 PolarHBondContact O-N 3.21Å; P127-V135 HydrophobicContact CG-CG2 3.72Å; P127-F168 HydrophobicContact CB-CD1 4.02Å; P127-F168 HydrophobicContact CB-CE1 4.05Å; P127-F168 HydrophobicContact CG-CD1 4.17Å; P127-F168 HydrophobicContact CG-CE1 3.77Å; P127-F168 HydrophobicContact CG-CZ 4.01Å; P127-W208 HydrophobicContact CB-CB 4.41Å; P127-W208 HydrophobicContact CB-CG 4.31Å
128	W	89.8	Confident	93.3	Very high	166 Å²	166	51 Å²	51	63%	0.629	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-17	-176.8	62.7	-80.8	0	0	0	113.7	M130 Y204	W128-M130 VanDerWaalsContact C-N 3.3Å; W128-M130 PolarHBondContact O-N 3.34Å; W128-Y204 AromaticContact CD1-CE1 3.41Å; W128-Y204 VanDerWaalsContact CD1-CE1 3.41Å; W128-Y204 AromaticContact CD1-CZ 3.73Å; W128-Y204 HydrophobicContact CG-CE1 4.41Å
129	Q	86.8	Confident	93.3	Very high	46 Å²	46	47 Å²	47	22%	0.215	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.7	-176	-59	89	-26.5	0	0	113	P127 E206	P127-Q129 VanDerWaalsContact C-N 3.31Å; P127-Q129 PolarHBondContact O-N 3.21Å; Q129-E206 PolarHBondContact NE2-O 2.62Å
130	M	87.6	Confident	93.1	Very high	24 Å²	24	52.1 Å²	52.1	12%	0.118	24%	0.239	C	C	.	.	S	Bend	trans	-138.2	151.9	-172	-49.3	-170.3	83.2	0	0	110.8	W128 K134 V135 I138 V210	W128-M130 VanDerWaalsContact C-N 3.3Å; W128-M130 PolarHBondContact O-N 3.34Å; M130-K134 HydrophobicContact CE-CD 3.55Å; M130-K134 HydrophobicContact CE-CG 3.76Å; M130-V135 HydrophobicContact CB-CG2 4Å; M130-I138 HydrophobicContact CE-CD1 3.81Å; M130-I138 HydrophobicContact SD-CD1 4.04Å; M130-V210 HydrophobicContact CE-CB 4.04Å; M130-V210 HydrophobicContact CE-CG2 3.49Å; M130-V210 VanDerWaalsContact CE-CG2 3.49Å; M130-V210 HydrophobicContact SD-CG2 4.26Å
131	S	89.3	Confident	92.8	Very high	69 Å²	69	53.8 Å²	53.8	48%	0.483	25%	0.245	S	C	.	.			trans	-70.2	150.9	173.6	63.6	0	0	0	0	111.2	D133 K134 V135	S131-D133 VanDerWaalsContact C-N 3.26Å; S131-D133 PolarHBondContact O-N 3.07Å; S131-K134 WeakPolarHBondContact O-CB 3.31Å; S131-K134 PolarHBondContact O-N 2.85Å; S131-K134 WeakPolarHBondContact OG-CB 3.17Å; S131-K134 PolarHBondContact OG-N 3.13Å; S131-V135 PolarHBondContact O-N 3.38Å; S131-V135 VanDerWaalsContact O-N 3.07Å
132	E	93.3	Very high	92.6	Very high	97 Å²	97	53.3 Å²	53.3	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-56.8	-41.1	179.6	-58.6	-170.4	-175.5	0	0	112.5	F126 K134 V135 R136	F126-E132 HydrophobicContact CB-CG 4.18Å; F126-E132 HydrophobicContact CD1-CB 3.82Å; F126-E132 HydrophobicContact CD1-CG 3.93Å; F126-E132 HydrophobicContact CD2-CB 4.38Å; F126-E132 HydrophobicContact CD2-CG 3.78Å; F126-E132 HydrophobicContact CE1-CB 3.81Å; F126-E132 HydrophobicContact CE1-CG 4.25Å; F126-E132 HydrophobicContact CE2-CB 4.39Å; F126-E132 HydrophobicContact CE2-CG 4.13Å; F126-E132 HydrophobicContact CG-CB 4.12Å; F126-E132 HydrophobicContact CG-CG 3.69Å; F126-E132 HydrophobicContact CZ-CB 4.12Å; F126-E132 HydrophobicContact CZ-CG 4.36Å; E132-K134 VanDerWaalsContact C-N 3.25Å; E132-K134 PolarHBondContact O-N 3.48Å; E132-V135 PolarHBondContact O-N 2.92Å; E132-R136 VanDerWaalsContact CB-NH1 3.29Å; E132-R136 WeakPolarHBondContact O-CG 3.24Å; E132-R136 PolarHBondContact O-N 3.02Å; E132-R136 IonicContact OE2-CZ 2.68Å; E132-R136 IonicContact OE2-NH1 2.87Å; E132-R136 PolarHBondContact OE2-NH1 3.41Å; E132-R136 VanDerWaalsContact OE2-NH1 3.11Å; E132-R136 IonicContact OE2-NH2 3.96Å; E132-R136 PolarHBondContact OE2-NH2 3.37Å
133	D	89.5	Confident	92.5	Very high	98 Å²	98	49.6 Å²	49.6	52%	0.524	23%	0.229	S	C	.	.	H	α-helix	trans	-62.3	-35.3	178.3	-64.7	-25	0	0	0	112.1	S131 R136 R137	S131-D133 VanDerWaalsContact C-N 3.26Å; S131-D133 PolarHBondContact O-N 3.07Å; D133-R136 IonicContact OD1-NH1 3.06Å; D133-R137 WeakPolarHBondContact O-CG 3.46Å; D133-R137 PolarHBondContact O-N 2.64Å; D133-R137 VanDerWaalsContact O-N 3.15Å; D133-R137 PolarHBondContact O-NH1 3.48Å
134	K	85.5	Confident	92.3	Very high	29 Å²	29	50.7 Å²	50.7	13%	0.126	25%	0.245	C	C	.	.	H	α-helix	trans	-68.1	-43.5	176.2	-174	159.8	-173.3	-179.8	0	110.5	M130 S131 E132 R137 I138 S347 D362	M130-K134 HydrophobicContact CE-CD 3.55Å; M130-K134 HydrophobicContact CE-CG 3.76Å; S131-K134 WeakPolarHBondContact O-CB 3.31Å; S131-K134 PolarHBondContact O-N 2.85Å; S131-K134 WeakPolarHBondContact OG-CB 3.17Å; S131-K134 PolarHBondContact OG-N 3.13Å; E132-K134 VanDerWaalsContact C-N 3.25Å; E132-K134 PolarHBondContact O-N 3.48Å; K134-R137 PolarHBondContact O-N 3.44Å; K134-I138 HydrophobicContact CG-CD1 4.03Å; K134-I138 WeakPolarHBondContact O-CD1 3.47Å; K134-I138 WeakPolarHBondContact O-CG1 3.44Å; K134-I138 PolarHBondContact O-N 3.34Å; K134-I138 VanDerWaalsContact O-N 3.09Å; K134-S347 PolarHBondContact NZ-O 2.73Å; K134-D362 WeakPolarHBondContact CE-OD1 3.18Å; K134-D362 IonicContact NZ-OD1 3.5Å
135	V	94.4	Very high	92.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-45.6	175.1	177.3	0	0	0	0	111.4	F126 P127 M130 S131 E132 R137 I138 L139 F168 L218	F126-V135 HydrophobicContact CD1-CB 3.67Å; F126-V135 HydrophobicContact CD1-CG1 3.67Å; F126-V135 HydrophobicContact CD1-CG2 4.11Å; F126-V135 HydrophobicContact CE1-CB 3.99Å; F126-V135 HydrophobicContact CE1-CG1 3.93Å; P127-V135 HydrophobicContact CG-CG2 3.72Å; M130-V135 HydrophobicContact CB-CG2 4Å; S131-V135 PolarHBondContact O-N 3.38Å; S131-V135 VanDerWaalsContact O-N 3.07Å; E132-V135 PolarHBondContact O-N 2.92Å; V135-R137 PolarHBondContact O-N 3.35Å; V135-I138 PolarHBondContact O-N 3.49Å; V135-L139 HydrophobicContact CG1-CD1 3.85Å; V135-L139 HydrophobicContact CG1-CG 4.25Å; V135-L139 WeakPolarHBondContact O-CG 3.45Å; V135-L139 PolarHBondContact O-N 3.47Å; V135-F168 HydrophobicContact CG1-CE2 4.4Å; V135-F168 HydrophobicContact CG1-CZ 4.39Å; V135-L218 HydrophobicContact CG1-CD2 4.26Å; V135-L218 HydrophobicContact CG2-CD2 4.44Å
136	R	94.7	Very high	92.2	Very high	61 Å²	61	44.1 Å²	44.1	23%	0.23	22%	0.216	C	C	.	.	H	α-helix	trans	-55.9	-48.1	176.5	-73.4	-179.4	-178.3	101	11.2	112	I123 F126 E132 D133 I138 L139 E140 E156	I123-R136 HydrophobicContact CD1-CG 3.75Å; F126-R136 HydrophobicContact CE1-CG 4.16Å; F126-R136 HydrophobicContact CZ-CG 4.41Å; F126-R136 VanDerWaalsContact CZ-NH2 3.28Å; E132-R136 VanDerWaalsContact CB-NH1 3.29Å; E132-R136 WeakPolarHBondContact O-CG 3.24Å; E132-R136 PolarHBondContact O-N 3.02Å; E132-R136 IonicContact OE2-CZ 2.68Å; E132-R136 IonicContact OE2-NH1 2.87Å; E132-R136 PolarHBondContact OE2-NH1 3.41Å; E132-R136 VanDerWaalsContact OE2-NH1 3.11Å; E132-R136 IonicContact OE2-NH2 3.96Å; E132-R136 PolarHBondContact OE2-NH2 3.37Å; D133-R136 IonicContact OD1-NH1 3.06Å; R136-I138 PolarHBondContact O-N 3.34Å; R136-L139 PolarHBondContact O-N 3.15Å; R136-E140 WeakPolarHBondContact O-CB 3.35Å; R136-E140 PolarHBondContact O-N 2.71Å; R136-E156 WeakPolarHBondContact CD-OE2 3.49Å; R136-E156 WeakPolarHBondContact CG-OE2 3.23Å; R136-E156 IonicContact NE-OE1 3.65Å; R136-E156 PolarHBondContact NE-OE1 3.41Å; R136-E156 IonicContact NE-OE2 2.7Å
137	R	88.5	Confident	92.1	Very high	67 Å²	67	43.4 Å²	43.4	25%	0.253	22%	0.219	S	C	.	.	H	α-helix	trans	-59.7	-43.2	176.9	-72.5	-170.4	-62.7	-91.6	6.8	112.8	D133 K134 V135 E140 E141 D362	D133-R137 WeakPolarHBondContact O-CG 3.46Å; D133-R137 PolarHBondContact O-N 2.64Å; D133-R137 VanDerWaalsContact O-N 3.15Å; D133-R137 PolarHBondContact O-NH1 3.48Å; K134-R137 PolarHBondContact O-N 3.44Å; V135-R137 PolarHBondContact O-N 3.35Å; R137-E140 PolarHBondContact O-N 3.27Å; R137-E141 PolarHBondContact O-N 2.87Å; R137-D362 IonicContact CZ-OD2 3.24Å; R137-D362 IonicContact NE-OD2 2.73Å; R137-D362 PolarHBondContact NE-OD2 3.19Å; R137-D362 VanDerWaalsContact NE-OD2 3.12Å; R137-D362 IonicContact NH2-OD2 2.66Å; R137-D362 PolarHBondContact NH2-OD2 2.84Å
138	I	91.4	Very high	92.1	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-46.1	179.3	-66.4	155.2	0	0	0	111.2	M130 K134 V135 R136 E140 E141 A142 V210 L218 L219	M130-I138 HydrophobicContact CE-CD1 3.81Å; M130-I138 HydrophobicContact SD-CD1 4.04Å; K134-I138 HydrophobicContact CG-CD1 4.03Å; K134-I138 WeakPolarHBondContact O-CD1 3.47Å; K134-I138 WeakPolarHBondContact O-CG1 3.44Å; K134-I138 PolarHBondContact O-N 3.34Å; K134-I138 VanDerWaalsContact O-N 3.09Å; V135-I138 PolarHBondContact O-N 3.49Å; R136-I138 PolarHBondContact O-N 3.34Å; I138-E140 VanDerWaalsContact C-N 3.34Å; I138-E141 PolarHBondContact O-N 2.92Å; I138-A142 WeakPolarHBondContact O-CB 3.3Å; I138-A142 PolarHBondContact O-N 2.82Å; I138-V210 HydrophobicContact CD1-CG2 3.16Å; I138-V210 HydrophobicContact CG1-CG2 3.63Å; I138-L218 HydrophobicContact CD1-CD2 4.09Å; I138-L218 HydrophobicContact CG2-CB 4.16Å; I138-L218 HydrophobicContact CG2-CD2 4.17Å; I138-L218 HydrophobicContact CG2-CG 3.9Å; I138-L219 HydrophobicContact CG2-CB 3.85Å; I138-L219 HydrophobicContact CG2-CD1 4.37Å
139	L	95.9	Very high	92.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.9	-34.7	-179.3	-60.2	178.3	0	0	0	111.2	I123 V135 R136 A142 F143 I166 F202 A222 F226	I123-L139 HydrophobicContact CD1-CD1 3.65Å; I123-L139 HydrophobicContact CG1-CD1 3.81Å; V135-L139 HydrophobicContact CG1-CD1 3.85Å; V135-L139 HydrophobicContact CG1-CG 4.25Å; V135-L139 WeakPolarHBondContact O-CG 3.45Å; V135-L139 PolarHBondContact O-N 3.47Å; R136-L139 PolarHBondContact O-N 3.15Å; L139-A142 PolarHBondContact O-N 2.92Å; L139-F143 VanDerWaalsContact O-CD2 3.25Å; L139-F143 WeakPolarHBondContact O-CD2 3.33Å; L139-F143 PolarHBondContact O-N 3.4Å; L139-I166 HydrophobicContact CD1-CD1 4.04Å; L139-I166 HydrophobicContact CD1-CG2 4.07Å; L139-F202 HydrophobicContact CD2-CZ 4.5Å; L139-A222 HydrophobicContact CD2-CB 3.57Å; L139-F226 HydrophobicContact CB-CZ 4.33Å; L139-F226 HydrophobicContact CD2-CE2 4.46Å; L139-F226 HydrophobicContact CD2-CZ 3.91Å
140	E	94.5	Very high	92.8	Very high	109 Å²	109	38.3 Å²	38.3	51%	0.509	22%	0.217	S	C	.	.	H	α-helix	trans	-60.3	-45.8	170.3	-175	177.8	-156.6	0	0	111.6	R136 R137 I138 F143 G144	R136-E140 WeakPolarHBondContact O-CB 3.35Å; R136-E140 PolarHBondContact O-N 2.71Å; R137-E140 PolarHBondContact O-N 3.27Å; I138-E140 VanDerWaalsContact C-N 3.34Å; E140-F143 PolarHBondContact O-N 3.18Å; E140-G144 PolarHBondContact O-N 3.14Å
141	E	90.1	Very high	93.2	Very high	50 Å²	50	38.3 Å²	38.3	23%	0.234	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-43.1	176.2	-170.9	-179.2	162.6	0	0	111.9	R137 I138 F143 G144 V145 L219 A363	R137-E141 PolarHBondContact O-N 2.87Å; I138-E141 PolarHBondContact O-N 2.92Å; E141-F143 VanDerWaalsContact C-N 3.35Å; E141-F143 PolarHBondContact O-N 2.82Å; E141-G144 WeakPolarHBondContact O-CA 3.42Å; E141-G144 PolarHBondContact O-N 3.14Å; E141-V145 PolarHBondContact O-N 2.68Å; E141-V145 VanDerWaalsContact O-N 3.16Å; E141-L219 HydrophobicContact CB-CD1 3.8Å; E141-L219 HydrophobicContact CG-CD1 3.78Å; E141-L219 HydrophobicContact CG-CD2 4.41Å; E141-L219 VanDerWaalsContact OE1-CD2 3.32Å; E141-L219 WeakPolarHBondContact OE1-CD2 3.24Å; E141-A363 WeakPolarHBondContact OE2-CB 3.35Å
142	A	94.8	Very high	93.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-37.2	176.4	0	0	0	0	0	112.9	I138 L139 V145 L219 A222 A223 F226	I138-A142 WeakPolarHBondContact O-CB 3.3Å; I138-A142 PolarHBondContact O-N 2.82Å; L139-A142 PolarHBondContact O-N 2.92Å; A142-V145 WeakPolarHBondContact O-CG2 3.31Å; A142-L219 HydrophobicContact CB-CD1 4.03Å; A142-A222 HydrophobicContact CB-CB 3.79Å; A142-A223 HydrophobicContact CB-CB 4.19Å; A142-F226 HydrophobicContact CB-CD2 3.73Å; A142-F226 HydrophobicContact CB-CE2 3.57Å
143	F	96.7	Very high	93.7	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-71.8	-36.2	170	-80.9	-57	0	0	0	112.1	Y121 L139 E140 E141 V145 W146 G147 F154 I164 I166 F226	Y121-F143 AromaticContact CD1-CD2 3.77Å; Y121-F143 HydrophobicContact CD1-CD2 3.77Å; Y121-F143 AromaticContact CD1-CE2 3.48Å; Y121-F143 HydrophobicContact CD1-CE2 3.48Å; Y121-F143 VanDerWaalsContact CD1-CE2 3.48Å; Y121-F143 HydrophobicContact CD1-CZ 4.24Å; Y121-F143 AromaticContact CD2-CE2 3.92Å; Y121-F143 HydrophobicContact CD2-CE2 3.92Å; Y121-F143 AromaticContact CE1-CD2 3.68Å; Y121-F143 HydrophobicContact CE1-CD2 3.68Å; Y121-F143 AromaticContact CE1-CE2 3.83Å; Y121-F143 HydrophobicContact CE1-CE2 3.83Å; Y121-F143 HydrophobicContact CE2-CE2 4.24Å; Y121-F143 HydrophobicContact CG-CD2 4.24Å; Y121-F143 AromaticContact CG-CE2 3.51Å; Y121-F143 HydrophobicContact CG-CE2 3.51Å; Y121-F143 HydrophobicContact CG-CZ 4.18Å; L139-F143 VanDerWaalsContact O-CD2 3.25Å; L139-F143 WeakPolarHBondContact O-CD2 3.33Å; L139-F143 PolarHBondContact O-N 3.4Å; E140-F143 PolarHBondContact O-N 3.18Å; E141-F143 VanDerWaalsContact C-N 3.35Å; E141-F143 PolarHBondContact O-N 2.82Å; F143-V145 VanDerWaalsContact C-N 3.29Å; F143-V145 PolarHBondContact O-N 3.3Å; F143-W146 PolarHBondContact O-N 2.76Å; F143-W146 VanDerWaalsContact O-N 3.11Å; F143-G147 PolarHBondContact O-N 2.61Å; F143-F154 HydrophobicContact CB-CB 3.85Å; F143-F154 HydrophobicContact CB-CD1 4.27Å; F143-F154 HydrophobicContact CB-CD2 3.73Å; F143-F154 HydrophobicContact CB-CE2 4.33Å; F143-F154 HydrophobicContact CB-CG 3.69Å; F143-F154 HydrophobicContact CD1-CB 4.31Å; F143-F154 AromaticContact CD1-CD1 3.29Å; F143-F154 HydrophobicContact CD1-CD1 3.29Å; F143-F154 HydrophobicContact CD1-CD2 4.09Å; F143-F154 AromaticContact CD1-CE1 3.44Å; F143-F154 HydrophobicContact CD1-CE1 3.44Å; F143-F154 VanDerWaalsContact CD1-CE1 3.44Å; F143-F154 HydrophobicContact CD1-CE2 4.22Å; F143-F154 AromaticContact CD1-CG 3.64Å; F143-F154 HydrophobicContact CD1-CG 3.64Å; F143-F154 AromaticContact CD1-CZ 3.92Å; F143-F154 HydrophobicContact CD1-CZ 3.92Å; F143-F154 HydrophobicContact CD2-CB 4.36Å; F143-F154 AromaticContact CE1-CD1 3.68Å; F143-F154 HydrophobicContact CE1-CD1 3.68Å; F143-F154 AromaticContact CE1-CE1 3.76Å; F143-F154 HydrophobicContact CE1-CE1 3.76Å; F143-F154 HydrophobicContact CE1-CG 4.42Å; F143-F154 HydrophobicContact CG-CB 3.94Å; F143-F154 AromaticContact CG-CD1 3.82Å; F143-F154 HydrophobicContact CG-CD1 3.82Å; F143-F154 HydrophobicContact CG-CD2 4.19Å; F143-F154 HydrophobicContact CG-CE1 4.36Å; F143-F154 AromaticContact CG-CG 3.72Å; F143-F154 HydrophobicContact CG-CG 3.72Å; F143-F154 HydrophobicContact CZ-CD1 4.47Å; F143-I164 HydrophobicContact CE1-CD1 3.77Å; F143-I164 HydrophobicContact CZ-CD1 3.9Å; F143-I164 HydrophobicContact CZ-CG2 4.21Å; F143-I166 HydrophobicContact CE2-CD1 4.01Å; F143-I166 HydrophobicContact CZ-CD1 4.27Å; F143-F226 HydrophobicContact CD1-CB 4.34Å; F143-F226 AromaticContact CD1-CD2 3.5Å; F143-F226 HydrophobicContact CD1-CD2 3.5Å; F143-F226 AromaticContact CD1-CE2 3.89Å; F143-F226 HydrophobicContact CD1-CE2 3.89Å; F143-F226 AromaticContact CD1-CG 3.97Å; F143-F226 HydrophobicContact CD1-CG 3.97Å; F143-F226 HydrophobicContact CD2-CD2 4Å; F143-F226 AromaticContact CD2-CE2 3.48Å; F143-F226 HydrophobicContact CD2-CE2 3.48Å; F143-F226 VanDerWaalsContact CD2-CE2 3.48Å; F143-F226 HydrophobicContact CD2-CZ 4.02Å; F143-F226 HydrophobicContact CE1-CB 4.08Å; F143-F226 AromaticContact CE1-CD1 3.95Å; F143-F226 HydrophobicContact CE1-CD1 3.95Å; F143-F226 AromaticContact CE1-CD2 3.51Å; F143-F226 HydrophobicContact CE1-CD2 3.51Å; F143-F226 HydrophobicContact CE1-CE1 4.23Å; F143-F226 AromaticContact CE1-CE2 3.81Å; F143-F226 HydrophobicContact CE1-CE2 3.81Å; F143-F226 AromaticContact CE1-CG 3.57Å; F143-F226 HydrophobicContact CE1-CG 3.57Å; F143-F226 HydrophobicContact CE1-CZ 4.16Å; F143-F226 HydrophobicContact CE2-CD2 4.01Å; F143-F226 HydrophobicContact CE2-CE1 4.1Å; F143-F226 AromaticContact CE2-CE2 3.41Å; F143-F226 HydrophobicContact CE2-CE2 3.41Å; F143-F226 VanDerWaalsContact CE2-CE2 3.41Å; F143-F226 AromaticContact CE2-CZ 3.45Å; F143-F226 HydrophobicContact CE2-CZ 3.45Å; F143-F226 VanDerWaalsContact CE2-CZ 3.45Å; F143-F226 AromaticContact CG-CD2 3.75Å; F143-F226 HydrophobicContact CG-CD2 3.75Å; F143-F226 AromaticContact CG-CE2 3.72Å; F143-F226 HydrophobicContact CG-CE2 3.72Å; F143-F226 AromaticContact CZ-CD1 3.87Å; F143-F226 HydrophobicContact CZ-CD1 3.87Å; F143-F226 AromaticContact CZ-CD2 3.77Å; F143-F226 HydrophobicContact CZ-CD2 3.77Å; F143-F226 AromaticContact CZ-CE1 3.7Å; F143-F226 HydrophobicContact CZ-CE1 3.7Å; F143-F226 AromaticContact CZ-CE2 3.57Å; F143-F226 HydrophobicContact CZ-CE2 3.57Å; F143-F226 AromaticContact CZ-CG 3.91Å; F143-F226 HydrophobicContact CZ-CG 3.91Å; F143-F226 AromaticContact CZ-CZ 3.53Å; F143-F226 HydrophobicContact CZ-CZ 3.53Å
144	G	93	Very high	94.1	Very high	40 Å²	40	31.6 Å²	31.6	41%	0.412	18%	0.182	S	C	.	.	H	α-helix	trans	-55.3	-39.8	-179.9	0	0	0	0	0	113.3	E140 E141 W146 G147 A148	E140-G144 PolarHBondContact O-N 3.14Å; E141-G144 WeakPolarHBondContact O-CA 3.42Å; E141-G144 PolarHBondContact O-N 3.14Å; G144-W146 VanDerWaalsContact C-N 3.31Å; G144-W146 PolarHBondContact O-N 3.31Å; G144-G147 PolarHBondContact O-N 3.06Å; G144-A148 WeakPolarHBondContact O-CB 3.13Å; G144-A148 PolarHBondContact O-N 2.88Å
145	V	93.4	Very high	94.6	Very high	26 Å²	26	36.5 Å²	36.5	16%	0.158	20%	0.2	C	C	.	.	H	α-helix	trans	-62.7	-35.9	178.2	-63.8	0	0	0	0	113.1	E141 A142 F143 A223 L252 L254	E141-V145 PolarHBondContact O-N 2.68Å; E141-V145 VanDerWaalsContact O-N 3.16Å; A142-V145 WeakPolarHBondContact O-CG2 3.31Å; F143-V145 VanDerWaalsContact C-N 3.29Å; F143-V145 PolarHBondContact O-N 3.3Å; V145-A223 HydrophobicContact CG2-CB 4.27Å; V145-L252 HydrophobicContact CB-CD2 4.36Å; V145-L252 HydrophobicContact CG1-CD2 3.65Å; V145-L252 HydrophobicContact CG1-CG 4.02Å; V145-L252 HydrophobicContact CG2-CD2 3.8Å; V145-L254 HydrophobicContact CB-CG 4.37Å; V145-L254 HydrophobicContact CG2-CD2 4.32Å; V145-L254 VanDerWaalsContact O-CD1 3.3Å; V145-L254 WeakPolarHBondContact O-CD1 3.42Å
146	W	96.4	Very high	94.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-78	-39.9	176.5	-63.7	112	0	0	0	111.9	F143 G144 A148 V149 T150 F154 A223 L230 L232 V241 M242 L254 D258 I262	F143-W146 PolarHBondContact O-N 2.76Å; F143-W146 VanDerWaalsContact O-N 3.11Å; G144-W146 VanDerWaalsContact C-N 3.31Å; G144-W146 PolarHBondContact O-N 3.31Å; W146-A148 VanDerWaalsContact C-N 3.3Å; W146-A148 PolarHBondContact O-N 3.07Å; W146-V149 PolarHBondContact O-N 2.95Å; W146-T150 WeakPolarHBondContact O-CG2 3.22Å; W146-T150 PolarHBondContact O-N 3.28Å; W146-T150 PolarHBondContact O-OG1 2.85Å; W146-F154 HydrophobicContact CB-CE2 4.42Å; W146-A223 WeakPolarHBondContact CZ2-O 3.39Å; W146-A223 PolarHBondContact NE1-O 2.92Å; W146-L230 HydrophobicContact CB-CD1 3.7Å; W146-L230 HydrophobicContact CD2-CD1 4.13Å; W146-L230 HydrophobicContact CG-CD1 3.67Å; W146-L232 HydrophobicContact CE3-CD1 4.41Å; W146-L232 HydrophobicContact CH2-CD1 3.32Å; W146-L232 HydrophobicContact CZ2-CD1 4.22Å; W146-L232 HydrophobicContact CZ3-CD1 3.44Å; W146-L232 VanDerWaalsContact CZ3-CD1 3.44Å; W146-V241 HydrophobicContact CZ2-CG1 4.28Å; W146-M242 HydrophobicContact CH2-CG 4.22Å; W146-M242 HydrophobicContact CH2-SD 4.21Å; W146-M242 HydrophobicContact CZ2-SD 4.05Å; W146-L254 HydrophobicContact CD2-CD1 4.26Å; W146-L254 HydrophobicContact CD2-CD2 4.22Å; W146-L254 HydrophobicContact CE3-CD1 3.67Å; W146-L254 HydrophobicContact CE3-CD2 4.03Å; W146-L254 HydrophobicContact CH2-CD2 3.63Å; W146-L254 HydrophobicContact CZ2-CD2 3.82Å; W146-L254 HydrophobicContact CZ3-CD1 3.85Å; W146-L254 HydrophobicContact CZ3-CD2 3.74Å; W146-L254 HydrophobicContact CZ3-CG 4.44Å; W146-D258 HydrophobicContact CH2-CB 4.01Å; W146-D258 HydrophobicContact CZ3-CB 4.16Å; W146-I262 HydrophobicContact CE3-CB 3.93Å; W146-I262 HydrophobicContact CE3-CD1 4.1Å; W146-I262 HydrophobicContact CE3-CG1 3.8Å; W146-I262 HydrophobicContact CE3-CG2 4.04Å; W146-I262 HydrophobicContact CZ3-CB 3.85Å; W146-I262 HydrophobicContact CZ3-CD1 4.38Å; W146-I262 HydrophobicContact CZ3-CG1 4.17Å; W146-I262 HydrophobicContact CZ3-CG2 4.06Å
147	G	95.2	Very high	94.8	Very high	21 Å²	21	36.4 Å²	36.4	22%	0.216	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-36.3	175.4	0	0	0	0	0	112.7	F143 G144 V149 T150	F143-G147 PolarHBondContact O-N 2.61Å; G144-G147 PolarHBondContact O-N 3.06Å; G147-V149 PolarHBondContact O-N 3.29Å; G147-T150 PolarHBondContact O-N 3.41Å
148	A	92.9	Very high	94.9	Very high	75 Å²	75	39.2 Å²	39.2	62%	0.62	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.5	179.4	0	0	0	0	0	114.1	G144 W146 P269	G144-A148 WeakPolarHBondContact O-CB 3.13Å; G144-A148 PolarHBondContact O-N 2.88Å; W146-A148 VanDerWaalsContact C-N 3.3Å; W146-A148 PolarHBondContact O-N 3.07Å; A148-P269 WeakPolarHBondContact O-CG 3.41Å
149	V	95.1	Very high	94.5	Very high	28 Å²	28	46.6 Å²	46.6	17%	0.17	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	6.9	-176.8	-57.9	0	0	0	0	113.8	W146 G147 L254 R259 I262 Q263 P269	W146-V149 PolarHBondContact O-N 2.95Å; G147-V149 PolarHBondContact O-N 3.29Å; V149-L254 HydrophobicContact CG1-CD1 4.33Å; V149-L254 HydrophobicContact CG2-CD1 3.52Å; V149-R259 HydrophobicContact CB-CG 4.39Å; V149-I262 HydrophobicContact CG2-CG2 3.75Å; V149-Q263 WeakPolarHBondContact O-CG 3.08Å; V149-Q263 PolarHBondContact O-NE2 2.94Å; V149-P269 WeakPolarHBondContact O-CD 3.32Å
150	T	96	Very high	94.1	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.031	29%	0.287	C	S	.	.	S	Bend	trans	-138.4	173.4	-179.3	63.5	0	0	0	0	112.1	W146 G147 L152 I262	W146-T150 WeakPolarHBondContact O-CG2 3.22Å; W146-T150 PolarHBondContact O-N 3.28Å; W146-T150 PolarHBondContact O-OG1 2.85Å; G147-T150 PolarHBondContact O-N 3.41Å; T150-L152 PolarHBondContact O-N 3.24Å; T150-L152 VanDerWaalsContact OG1-CB 3.31Å; T150-L152 WeakPolarHBondContact OG1-CB 3.43Å; T150-L152 WeakPolarHBondContact OG1-CG 3.4Å; T150-L152 PolarHBondContact OG1-N 3.19Å; T150-I262 HydrophobicContact CG2-CB 4.24Å; T150-I262 HydrophobicContact CG2-CG1 3.51Å; T150-I262 HydrophobicContact CG2-CG2 3.79Å
151	P	96.2	Very high	94	Very high	24 Å²	24	58.9 Å²	58.9	16%	0.156	31%	0.307	C	S	.	.	S	Bend	trans	-74.9	2.4	165.5	-22.1	35.6	0	0	0	115.2	T117 Y266 G267 P268 R270	T117-P151 HydrophobicContact CG2-CB 4.32Å; P151-Y266 WeakPolarHBondContact CD-O 3.1Å; P151-Y266 WeakPolarHBondContact CG-O 3.25Å; P151-G267 VanDerWaalsContact CD-O 3.3Å; P151-G267 WeakPolarHBondContact CD-O 3.28Å; P151-P268 WeakPolarHBondContact CD-O 3.5Å; P151-P268 VanDerWaalsContact CG-O 3.24Å; P151-P268 WeakPolarHBondContact CG-O 3.43Å; P151-R270 HydrophobicContact CB-CG 4.04Å; P151-R270 HydrophobicContact CG-CG 4.17Å
152	L	96.8	Very high	94.3	Very high	7 Å²	7	57.4 Å²	57.4	4%	0.037	30%	0.303	C	S	.	.			trans	-75.1	141.1	-172.6	-62.1	174.6	0	0	0	111.5	T117 L119 T150 F154 L230 Y266	T117-L152 HydrophobicContact CG2-CD2 4.08Å; T117-L152 CarbonylContact O-C 3.51Å; T117-L152 VanDerWaalsContact O-CA 3.32Å; T117-L152 WeakPolarHBondContact O-CA 2.99Å; L119-L152 HydrophobicContact CD1-CD2 4.31Å; T150-L152 PolarHBondContact O-N 3.24Å; T150-L152 VanDerWaalsContact OG1-CB 3.31Å; T150-L152 WeakPolarHBondContact OG1-CB 3.43Å; T150-L152 WeakPolarHBondContact OG1-CG 3.4Å; T150-L152 PolarHBondContact OG1-N 3.19Å; L152-F154 HydrophobicContact CB-CE2 3.82Å; L152-F154 HydrophobicContact CB-CZ 3.81Å; L152-F154 HydrophobicContact CD1-CZ 3.96Å; L152-L230 HydrophobicContact CD1-CD1 4.1Å; L152-L230 HydrophobicContact CD1-CD2 3.63Å; L152-L230 HydrophobicContact CD1-CG 4.42Å; L152-Y266 HydrophobicContact CD1-CD1 4.19Å; L152-Y266 HydrophobicContact CD1-CD2 3.81Å; L152-Y266 HydrophobicContact CD1-CE1 4.35Å; L152-Y266 HydrophobicContact CD1-CE2 3.99Å; L152-Y266 HydrophobicContact CD1-CG 3.91Å; L152-Y266 HydrophobicContact CD2-CD1 3.66Å; L152-Y266 HydrophobicContact CD2-CE1 3.94Å; L152-Y266 HydrophobicContact CD2-CG 4.08Å; L152-Y266 HydrophobicContact CG-CD1 4.17Å; L152-Y266 HydrophobicContact CG-CD2 4.47Å; L152-Y266 HydrophobicContact CG-CG 4.08Å
153	T	96.4	Very high	94.4	Very high	74 Å²	74	59.1 Å²	59.1	45%	0.454	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.9	170.6	54.5	0	0	0	0	109.8	T117 D118 L119	T117-T153 PolarHBondContact O-N 3.32Å; D118-T153 WeakPolarHBondContact CA-OG1 3.43Å; D118-T153 PolarHBondContact OD1-OG1 3.36Å; L119-T153 PolarHBondContact N-O 3.44Å
154	F	97.6	Very high	94.5	Very high	42 Å²	42	59 Å²	59	18%	0.184	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.7	-176.5	-57.8	-83.9	0	0	0	109.9	L119 Y121 F143 W146 L152 I164 L230	L119-F154 HydrophobicContact CB-CD1 3.99Å; L119-F154 HydrophobicContact CB-CE1 4.16Å; L119-F154 HydrophobicContact CD1-CD1 4.43Å; L119-F154 HydrophobicContact CD1-CE1 3.75Å; L119-F154 HydrophobicContact CD1-CZ 4.46Å; L119-F154 VanDerWaalsContact O-CA 3.29Å; L119-F154 WeakPolarHBondContact O-CA 3.43Å; Y121-F154 HydrophobicContact CD1-CB 4.38Å; Y121-F154 HydrophobicContact CE1-CB 4.34Å; F143-F154 HydrophobicContact CB-CB 3.85Å; F143-F154 HydrophobicContact CB-CD1 4.27Å; F143-F154 HydrophobicContact CB-CD2 3.73Å; F143-F154 HydrophobicContact CB-CE2 4.33Å; F143-F154 HydrophobicContact CB-CG 3.69Å; F143-F154 HydrophobicContact CD1-CB 4.31Å; F143-F154 AromaticContact CD1-CD1 3.29Å; F143-F154 HydrophobicContact CD1-CD1 3.29Å; F143-F154 HydrophobicContact CD1-CD2 4.09Å; F143-F154 AromaticContact CD1-CE1 3.44Å; F143-F154 HydrophobicContact CD1-CE1 3.44Å; F143-F154 VanDerWaalsContact CD1-CE1 3.44Å; F143-F154 HydrophobicContact CD1-CE2 4.22Å; F143-F154 AromaticContact CD1-CG 3.64Å; F143-F154 HydrophobicContact CD1-CG 3.64Å; F143-F154 AromaticContact CD1-CZ 3.92Å; F143-F154 HydrophobicContact CD1-CZ 3.92Å; F143-F154 HydrophobicContact CD2-CB 4.36Å; F143-F154 AromaticContact CE1-CD1 3.68Å; F143-F154 HydrophobicContact CE1-CD1 3.68Å; F143-F154 AromaticContact CE1-CE1 3.76Å; F143-F154 HydrophobicContact CE1-CE1 3.76Å; F143-F154 HydrophobicContact CE1-CG 4.42Å; F143-F154 HydrophobicContact CG-CB 3.94Å; F143-F154 AromaticContact CG-CD1 3.82Å; F143-F154 HydrophobicContact CG-CD1 3.82Å; F143-F154 HydrophobicContact CG-CD2 4.19Å; F143-F154 HydrophobicContact CG-CE1 4.36Å; F143-F154 AromaticContact CG-CG 3.72Å; F143-F154 HydrophobicContact CG-CG 3.72Å; F143-F154 HydrophobicContact CZ-CD1 4.47Å; W146-F154 HydrophobicContact CB-CE2 4.42Å; L152-F154 HydrophobicContact CB-CE2 3.82Å; L152-F154 HydrophobicContact CB-CZ 3.81Å; L152-F154 HydrophobicContact CD1-CZ 3.96Å; F154-I164 HydrophobicContact CE1-CD1 4.45Å; F154-L230 HydrophobicContact CE1-CD2 4Å; F154-L230 HydrophobicContact CZ-CD1 3.98Å; F154-L230 HydrophobicContact CZ-CD2 3.99Å
155	R	96.4	Very high	94.7	Very high	132 Å²	132	58.7 Å²	58.7	50%	0.498	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	129.8	178.1	-173.6	174.8	70.3	99.2	0.2	111.5	L119 T120 Y121	L119-R155 PolarHBondContact O-N 2.89Å; T120-R155 CarbonylContact C-O 3.5Å; T120-R155 VanDerWaalsContact CA-O 3.28Å; T120-R155 WeakPolarHBondContact CA-O 3.36Å; Y121-R155 PolarHBondContact N-O 3.33Å
156	E	96.9	Very high	94.9	Very high	53 Å²	53	57.5 Å²	57.5	25%	0.248	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.5	171.6	-166.6	-177.8	172.2	0	0	110.3	Y121 R136	Y121-E156 HydrophobicContact CD2-CB 4.32Å; Y121-E156 HydrophobicContact CD2-CG 4.22Å; Y121-E156 HydrophobicContact CE1-CB 4.15Å; Y121-E156 HydrophobicContact CE2-CB 3.7Å; Y121-E156 HydrophobicContact CE2-CG 3.77Å; Y121-E156 CarbonylContact O-C 3.58Å; Y121-E156 VanDerWaalsContact O-CA 3.31Å; Y121-E156 WeakPolarHBondContact O-CA 3.44Å; R136-E156 WeakPolarHBondContact CD-OE2 3.49Å; R136-E156 WeakPolarHBondContact CG-OE2 3.23Å; R136-E156 IonicContact NE-OE1 3.65Å; R136-E156 PolarHBondContact NE-OE1 3.41Å; R136-E156 IonicContact NE-OE2 2.7Å
157	V	96.6	Very high	95	Very high	6 Å²	6	58.3 Å²	58.3	4%	0.036	30%	0.298	C	S	.	.			trans	-126.1	140.9	169.5	-61.2	0	0	0	0	110	T120 Y121 R122 E160 A162	T120-V157 HydrophobicContact CG2-CG1 3.95Å; Y121-V157 PolarHBondContact O-N 3.02Å; R122-V157 HydrophobicContact CB-CG2 4.46Å; R122-V157 WeakPolarHBondContact CB-O 3.47Å; V157-E160 HydrophobicContact CB-CB 4.19Å; V157-E160 HydrophobicContact CG2-CB 4.24Å; V157-A162 HydrophobicContact CG2-CB 3.53Å
158	I	89.7	Confident	95.1	Very high	126 Å²	126	57.3 Å²	57.3	65%	0.646	29%	0.288	S	S	*	.	S	Bend	trans	-93	-59.9	-171.8	-55.3	177.4	0	0	0	111.3
159	N	83.9	Confident	95.3	Very high	158 Å²	158	54.2 Å²	54.2	85%	0.845	26%	0.261	S	S	*	.	S	Bend	trans	-109.6	7.3	-171.5	-65.4	-42.2	0	0	0	113.5
160	E	88.4	Confident	95.2	Very high	123 Å²	123	58.2 Å²	58.2	58%	0.575	27%	0.273	S	S	*	.	S	Bend	trans	-102.1	161.3	-178.3	-64.7	174.9	-150	0	0	110.6	V157 A162	V157-E160 HydrophobicContact CB-CB 4.19Å; V157-E160 HydrophobicContact CG2-CB 4.24Å; E160-A162 PolarHBondContact O-N 3.33Å
161	R	91.1	Very high	95.1	Very high	244 Å²	244	63.9 Å²	63.9	92%	0.921	29%	0.294	S	S	*	.			trans	-65.2	128.5	166.2	-82.2	-173.2	-82.9	-104.3	-0.1	108.2
162	A	96.3	Very high	95	Very high	19 Å²	19	71.9 Å²	71.9	16%	0.157	32%	0.321	C	S	.	.			trans	-108.3	157.3	175.7	0	0	0	0	0	110.1	T120 R122 V157 E160 I165	T120-A162 WeakPolarHBondContact OG1-CA 3.44Å; R122-A162 HydrophobicContact CB-CB 3.68Å; V157-A162 HydrophobicContact CG2-CB 3.53Å; E160-A162 PolarHBondContact O-N 3.33Å; A162-I165 HydrophobicContact CB-CD1 3.96Å
163	D	97.2	Very high	94.9	Very high	36 Å²	36	72.9 Å²	72.9	19%	0.193	33%	0.326	C	S	.	.	S	Bend	trans	-73.7	-36.4	174.3	-53.9	-68.5	0	0	0	111.4	W114 K116 L119 T120 G198	W114-D163 HydrophobicContact CH2-CB 4.08Å; W114-D163 WeakPolarHBondContact CH2-O 3.05Å; W114-D163 HydrophobicContact CZ3-CB 4.16Å; K116-D163 WeakPolarHBondContact CE-OD1 3.36Å; K116-D163 WeakPolarHBondContact CE-OD2 3.42Å; K116-D163 IonicContact NZ-OD1 2.69Å; K116-D163 PolarHBondContact NZ-OD1 3.36Å; K116-D163 IonicContact NZ-OD2 3.98Å; K116-D163 PolarHBondContact NZ-OD2 3.46Å; L119-D163 HydrophobicContact CD2-CB 4.31Å; T120-D163 PolarHBondContact N-OD2 3.04Å; T120-D163 WeakPolarHBondContact O-CB 3.36Å; T120-D163 PolarHBondContact O-N 3.19Å; T120-D163 PolarHBondContact OG1-N 2.78Å; T120-D163 VanDerWaalsContact OG1-N 3.16Å; T120-D163 PolarHBondContact OG1-OD2 3.05Å; D163-G198 WeakPolarHBondContact O-CA 3.1Å
164	I	98.3	Very high	94.5	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	124.2	-177.9	-54.3	174.1	0	0	0	108.9	W114 L119 T120 Y121 R122 F143 F154 I166 G198 V200 V229	W114-I164 HydrophobicContact CZ2-CG1 4.35Å; L119-I164 HydrophobicContact CB-CD1 4.49Å; L119-I164 HydrophobicContact CD1-CD1 4.46Å; T120-I164 PolarHBondContact O-N 3.42Å; Y121-I164 CarbonylContact C-O 3.59Å; Y121-I164 WeakPolarHBondContact CA-O 3.32Å; R122-I164 PolarHBondContact N-O 3.42Å; F143-I164 HydrophobicContact CE1-CD1 3.77Å; F143-I164 HydrophobicContact CZ-CD1 3.9Å; F143-I164 HydrophobicContact CZ-CG2 4.21Å; F154-I164 HydrophobicContact CE1-CD1 4.45Å; I164-I166 HydrophobicContact CG2-CG1 4.23Å; I164-G198 CarbonylContact C-O 3.49Å; I164-G198 VanDerWaalsContact CA-O 3.24Å; I164-G198 WeakPolarHBondContact CA-O 3.44Å; I164-G198 WeakPolarHBondContact CG2-O 3.41Å; I164-V200 HydrophobicContact CG2-CG2 3.91Å; I164-V229 HydrophobicContact CB-CG1 4.45Å; I164-V229 HydrophobicContact CD1-CG1 3.62Å; I164-V229 HydrophobicContact CG1-CG1 3.65Å; I164-V229 HydrophobicContact CG2-CG1 4.03Å
165	I	97.8	Very high	94.2	Very high	34 Å²	34	69.6 Å²	69.6	17%	0.174	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.1	178.6	-55.1	-54.6	0	0	0	108.5	R122 V124 A162 G198 V200	R122-I165 HydrophobicContact CB-CD1 4.24Å; V124-I165 HydrophobicContact CG2-CG2 3.45Å; V124-I165 VanDerWaalsContact CG2-CG2 3.45Å; A162-I165 HydrophobicContact CB-CD1 3.96Å; I165-G198 PolarHBondContact N-O 2.96Å; I165-V200 PolarHBondContact O-N 3.24Å
166	I	98.5	Very high	93.7	Very high	0 Å²	0	71 Å²	71	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.5	-179.7	-62.9	166.8	0	0	0	108.6	Y121 R122 I123 V124 L139 F143 I164 F168 V200 F202 F226	Y121-I166 HydrophobicContact CD2-CD1 3.96Å; Y121-I166 HydrophobicContact CG-CD1 4.5Å; R122-I166 PolarHBondContact O-N 2.82Å; I123-I166 WeakPolarHBondContact CA-O 3.32Å; V124-I166 PolarHBondContact N-O 3.37Å; L139-I166 HydrophobicContact CD1-CD1 4.04Å; L139-I166 HydrophobicContact CD1-CG2 4.07Å; F143-I166 HydrophobicContact CE2-CD1 4.01Å; F143-I166 HydrophobicContact CZ-CD1 4.27Å; I164-I166 HydrophobicContact CG2-CG1 4.23Å; I166-F168 HydrophobicContact CG2-CE2 4.27Å; I166-V200 WeakPolarHBondContact CA-O 3.24Å; I166-V200 HydrophobicContact CG1-CB 4.24Å; I166-V200 HydrophobicContact CG1-CG2 4.39Å; I166-F202 HydrophobicContact CG2-CD2 3.95Å; I166-F202 HydrophobicContact CG2-CE2 3.64Å; I166-F226 HydrophobicContact CD1-CE1 3.7Å; I166-F226 HydrophobicContact CD1-CZ 3.58Å; I166-F226 HydrophobicContact CG1-CE1 4.13Å; I166-F226 HydrophobicContact CG1-CZ 4.47Å
167	D	97.8	Very high	93.3	Very high	18 Å²	18	71 Å²	71	10%	0.096	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142	-177.5	-160.3	10.6	0	0	0	112.1	V124 R125 N169 V200 H201 F202	V124-D167 HydrophobicContact CB-CB 4.09Å; V124-D167 HydrophobicContact CG2-CB 4.33Å; R125-D167 WeakPolarHBondContact CB-OD1 3.29Å; R125-D167 IonicContact CZ-OD1 3.21Å; R125-D167 IonicContact CZ-OD2 3.04Å; R125-D167 IonicContact NE-OD1 2.64Å; R125-D167 PolarHBondContact NE-OD1 2.89Å; R125-D167 IonicContact NE-OD2 2.64Å; R125-D167 VanDerWaalsContact NH2-CG 3.33Å; R125-D167 IonicContact NH2-OD1 2.67Å; R125-D167 PolarHBondContact NH2-OD1 3.27Å; R125-D167 IonicContact NH2-OD2 3.13Å; R125-D167 PolarHBondContact NH2-OD2 3.07Å; D167-N169 PolarHBondContact OD2-ND2 2.92Å; D167-N169 VanDerWaalsContact OD2-ND2 3.14Å; D167-V200 PolarHBondContact N-O 3.21Å; D167-H201 WeakPolarHBondContact O-CA 3.42Å; D167-F202 PolarHBondContact O-N 3.09Å
168	F	98.1	Very high	93.1	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.6	176.3	-69.4	-107.9	0	0	0	108.7	R125 P127 V135 I166 F202 Y204 W208 L218	R125-F168 PolarHBondContact NE-O 2.95Å; R125-F168 PolarHBondContact NH1-O 2.71Å; R125-F168 WeakPolarHBondContact O-CD2 3.32Å; P127-F168 HydrophobicContact CB-CD1 4.02Å; P127-F168 HydrophobicContact CB-CE1 4.05Å; P127-F168 HydrophobicContact CG-CD1 4.17Å; P127-F168 HydrophobicContact CG-CE1 3.77Å; P127-F168 HydrophobicContact CG-CZ 4.01Å; V135-F168 HydrophobicContact CG1-CE2 4.4Å; V135-F168 HydrophobicContact CG1-CZ 4.39Å; I166-F168 HydrophobicContact CG2-CE2 4.27Å; F168-F202 CarbonylContact C-O 3.47Å; F168-F202 WeakPolarHBondContact CA-O 3.43Å; F168-F202 HydrophobicContact CD1-CB 3.55Å; F168-F202 HydrophobicContact CD1-CG 4.34Å; F168-F202 HydrophobicContact CE1-CB 3.65Å; F168-F202 HydrophobicContact CE1-CD2 4.43Å; F168-F202 AromaticContact CE1-CG 3.99Å; F168-F202 HydrophobicContact CE1-CG 3.99Å; F168-F202 HydrophobicContact CE2-CD2 4.28Å; F168-F202 HydrophobicContact CG-CB 4.06Å; F168-F202 HydrophobicContact CZ-CB 4.24Å; F168-F202 HydrophobicContact CZ-CD2 4.18Å; F168-F202 HydrophobicContact CZ-CG 4.16Å; F168-Y204 HydrophobicContact CB-CD2 3.67Å; F168-Y204 HydrophobicContact CB-CG 4.46Å; F168-W208 AromaticContact CD1-NE1 3.78Å; F168-W208 HydrophobicContact CE1-CD2 4.43Å; F168-W208 HydrophobicContact CE1-CG 4.44Å; F168-W208 AromaticContact CE1-NE1 3.84Å; F168-L218 HydrophobicContact CE1-CD1 3.96Å; F168-L218 HydrophobicContact CZ-CD1 3.89Å; F168-L218 HydrophobicContact CZ-CD2 4.11Å
169	N	95.9	Very high	93.5	Very high	10 Å²	10	68.2 Å²	68.2	5%	0.053	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	161.7	-165.2	-90.8	-49.3	0	0	0	112.7	R125 D167 H173 F179 F202 D203 Y204	R125-N169 PolarHBondContact NH1-OD1 3.08Å; R125-N169 PolarHBondContact NH2-OD1 2.82Å; D167-N169 PolarHBondContact OD2-ND2 2.92Å; D167-N169 VanDerWaalsContact OD2-ND2 3.14Å; N169-H173 HydrophobicContact CB-CB 3.57Å; N169-H173 VanDerWaalsContact CB-CG 3.47Å; N169-H173 VanDerWaalsContact CG-CB 3.45Å; N169-F179 HydrophobicContact CB-CD2 4.36Å; N169-F179 HydrophobicContact CB-CE2 3.95Å; N169-F179 WeakPolarHBondContact O-CD2 3.41Å; N169-F202 PolarHBondContact N-O 3Å; N169-D203 CarbonylContact O-C 3.54Å; N169-D203 WeakPolarHBondContact O-CA 3.49Å; N169-Y204 VanDerWaalsContact O-CB 3.22Å; N169-Y204 WeakPolarHBondContact O-CB 3.47Å; N169-Y204 PolarHBondContact O-N 3.02Å
170	R	94.4	Very high	93.9	Very high	112 Å²	112	65 Å²	65	42%	0.423	31%	0.308	S	S	.	.			trans	-123.1	141	178.4	-63.9	175.1	172.2	-114.5	-8.9	109.7	W172 Y204 D205	R170-W172 CarbonylContact O-C 3.59Å; R170-W172 PolarHBondContact O-N 3.35Å; R170-Y204 HydrophobicContact CG-CD1 4.14Å; R170-Y204 HydrophobicContact CG-CG 4.17Å; R170-D205 IonicContact CZ-OD1 2.8Å; R170-D205 IonicContact CZ-OD2 3.12Å; R170-D205 IonicContact NE-OD1 3.3Å; R170-D205 IonicContact NH1-OD1 3.67Å; R170-D205 PolarHBondContact NH1-OD1 3.4Å; R170-D205 IonicContact NH1-OD2 2.87Å; R170-D205 IonicContact NH2-OD1 3.24Å; R170-D205 PolarHBondContact NH2-OD1 3.07Å
171	Y	92.8	Very high	94	Very high	123 Å²	123	59.1 Å²	59.1	48%	0.482	28%	0.281	S	S	.	.	S	Bend	trans	44.1	-123.3	172.3	-58	-67.4	0	0	0	112.9	H173 P178 F179 D205	Y171-H173 PolarHBondContact O-ND1 2.91Å; Y171-P178 WeakPolarHBondContact O-CA 3.34Å; Y171-F179 WeakPolarHBondContact CA-O 3.22Å; Y171-F179 PolarHBondContact O-N 3.32Å; Y171-D205 WeakPolarHBondContact CE2-OD2 3.34Å
172	W	94.4	Very high	94	Very high	192 Å²	192	52.5 Å²	52.5	73%	0.727	27%	0.269	S	S	*	.	S	Bend	trans	-78.3	122	173.1	-173.8	84.4	0	0	0	111.2	R170	R170-W172 CarbonylContact O-C 3.59Å; R170-W172 PolarHBondContact O-N 3.35Å
173	H	94.3	Very high	93.6	Very high	28 Å²	28	52.6 Å²	52.6	13%	0.13	27%	0.273	C	S	.	.			trans	-137	31.8	-172.1	54.9	-87.2	0	0	0	113.9	N169 Y171 D175 L177 F179 H188 H201	N169-H173 HydrophobicContact CB-CB 3.57Å; N169-H173 VanDerWaalsContact CB-CG 3.47Å; N169-H173 VanDerWaalsContact CG-CB 3.45Å; Y171-H173 PolarHBondContact O-ND1 2.91Å; H173-D175 IonicContact CD2-OD2 2.67Å; H173-D175 IonicContact CE1-OD1 3.33Å; H173-D175 IonicContact NE2-OD1 3.63Å; H173-D175 IonicContact NE2-OD2 3.82Å; H173-D175 PolarHBondContact NE2-OD2 2.84Å; H173-L177 PolarHBondContact CE1-O 3.11Å; H173-F179 AromaticContact CE1-CD2 3.38Å; H173-F179 WeakPolarHBondContact CE1-CD2 3.35Å; H173-F179 AromaticContact CE1-CE2 3.32Å; H173-F179 WeakPolarHBondContact CE1-CE2 3.26Å; H173-F179 AromaticContact CE1-CG 3.92Å; H173-F179 AromaticContact CE1-CZ 3.81Å; H173-F179 AromaticContact ND1-CD2 3.68Å; H173-F179 AromaticContact ND1-CE2 3.91Å; H173-F179 AromaticContact NE2-CE2 3.72Å; H173-H188 AromaticContact CE1-CE1 3.56Å; H173-H188 AromaticContact NE2-CE1 3.32Å; H173-H188 PolarHBondContact NE2-CE1 3.48Å; H173-H188 VanDerWaalsContact NE2-CE1 3.32Å; H173-H188 AromaticContact NE2-NE2 3.44Å; H173-H188 PolarHBondContact NE2-NE2 3.41Å; H173-H201 AromaticContact CD2-CE1 3.91Å; H173-H201 AromaticContact CD2-CG 3.83Å; H173-H201 AromaticContact CD2-ND1 3.28Å; H173-H201 PolarHBondContact CD2-ND1 3.46Å; H173-H201 VanDerWaalsContact CD2-ND1 3.28Å; H173-H201 AromaticContact NE2-CG 3.66Å; H173-H201 AromaticContact NE2-ND1 3.16Å; H173-H201 PolarHBondContact NE2-ND1 2.99Å; H173-H201 VanDerWaalsContact NE2-ND1 3.16Å
174	G	88.8	Confident	93.4	Very high	41 Å²	41	52.1 Å²	52.1	42%	0.423	28%	0.276	S	S	.	.	S	Bend	trans	88.8	16.1	171.3	0	0	0	0	0	115.3	K196	G174-K196 PolarHBondContact O-NZ 3.33Å
175	D	90.6	Very high	93.2	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.037	29%	0.288	C	S	.	.	S	Bend	trans	-129.8	179.2	166.8	68.9	27.1	0	0	0	111.7	H173 L177 H188 F190 K196 H201	H173-D175 IonicContact CD2-OD2 2.67Å; H173-D175 IonicContact CE1-OD1 3.33Å; H173-D175 IonicContact NE2-OD1 3.63Å; H173-D175 IonicContact NE2-OD2 3.82Å; H173-D175 PolarHBondContact NE2-OD2 2.84Å; D175-L177 VanDerWaalsContact C-N 3.26Å; D175-L177 WeakPolarHBondContact OD1-CA 3.46Å; D175-L177 PolarHBondContact OD1-N 3.05Å; D175-H188 IonicContact OD1-NE2 3.48Å; D175-H188 IonicContact OD2-CD2 2.68Å; D175-H188 IonicContact OD2-CE1 3.52Å; D175-H188 IonicContact OD2-NE2 2.71Å; D175-H188 PolarHBondContact OD2-NE2 2.92Å; D175-F190 HydrophobicContact CB-CE2 4.46Å; D175-F190 HydrophobicContact CB-CZ 3.94Å; D175-K196 HydrophobicContact CB-CD 4.34Å; D175-K196 VanDerWaalsContact CB-NZ 3.31Å; D175-H201 IonicContact OD2-CE1 2.9Å; D175-H201 PolarHBondContact OD2-CE1 3.21Å; D175-H201 VanDerWaalsContact OD2-CE1 3.31Å; D175-H201 IonicContact OD2-ND1 3.87Å; D175-H201 PolarHBondContact OD2-ND1 2.74Å
176	D	86.8	Confident	93.2	Very high	162 Å²	162	53 Å²	53	87%	0.866	28%	0.28	S	S	*	.	S	Bend	trans	-86.8	9.2	-178.8	-63.8	-41.2	0	0	0	112.9	P178	D176-P178 WeakPolarHBondContact O-CD 3.32Å
177	L	88.6	Confident	93.1	Very high	51 Å²	51	53 Å²	53	27%	0.267	28%	0.28	S	S	.	.			trans	-123.3	71.3	-176.8	-64.5	175.5	0	0	0	110.1	H173 D175 H188 F190	H173-L177 PolarHBondContact CE1-O 3.11Å; D175-L177 VanDerWaalsContact C-N 3.26Å; D175-L177 WeakPolarHBondContact OD1-CA 3.46Å; D175-L177 PolarHBondContact OD1-N 3.05Å; L177-H188 HydrophobicContact CD1-CB 4.34Å; L177-H188 PolarHBondContact O-CE1 2.94Å; L177-F190 HydrophobicContact CD1-CE1 4.5Å; L177-F190 HydrophobicContact CD1-CZ 4.29Å
178	P	92.5	Very high	93.1	Very high	66 Å²	66	52.1 Å²	52.1	43%	0.429	28%	0.276	S	S	.	.			trans	-67	145.6	-179.6	29.8	-35.5	0	0	0	111.9	Y171 D176	Y171-P178 WeakPolarHBondContact O-CA 3.34Å; D176-P178 WeakPolarHBondContact O-CD 3.32Å
179	F	96.2	Very high	93	Very high	9 Å²	9	52.3 Å²	52.3	4%	0.039	28%	0.277	C	S	.	.			trans	-76.9	161.3	170.2	-64.2	-47.8	0	0	0	112.6	N169 Y171 H173 I185 H188 H201 F202 D203	N169-F179 HydrophobicContact CB-CD2 4.36Å; N169-F179 HydrophobicContact CB-CE2 3.95Å; N169-F179 WeakPolarHBondContact O-CD2 3.41Å; Y171-F179 WeakPolarHBondContact CA-O 3.22Å; Y171-F179 PolarHBondContact O-N 3.32Å; H173-F179 AromaticContact CE1-CD2 3.38Å; H173-F179 WeakPolarHBondContact CE1-CD2 3.35Å; H173-F179 AromaticContact CE1-CE2 3.32Å; H173-F179 WeakPolarHBondContact CE1-CE2 3.26Å; H173-F179 AromaticContact CE1-CG 3.92Å; H173-F179 AromaticContact CE1-CZ 3.81Å; H173-F179 AromaticContact ND1-CD2 3.68Å; H173-F179 AromaticContact ND1-CE2 3.91Å; H173-F179 AromaticContact NE2-CE2 3.72Å; F179-I185 HydrophobicContact CD1-CB 4.31Å; F179-I185 HydrophobicContact CD1-CG2 3.73Å; F179-I185 HydrophobicContact CE1-CG2 3.92Å; F179-H188 AromaticContact CE1-CE1 3.68Å; F179-H188 AromaticContact CE1-ND1 3.41Å; F179-H188 WeakPolarHBondContact CE1-ND1 3.26Å; F179-H188 AromaticContact CZ-CE1 3.71Å; F179-H188 AromaticContact CZ-ND1 3.81Å; F179-H201 HydrophobicContact CE2-CB 4.1Å; F179-H201 HydrophobicContact CZ-CB 3.77Å; F179-F202 WeakPolarHBondContact CE2-O 3.3Å; F179-D203 HydrophobicContact CB-CB 4.12Å; F179-D203 WeakPolarHBondContact CB-OD2 3.29Å; F179-D203 HydrophobicContact CD1-CB 3.87Å; F179-D203 HydrophobicContact CD2-CB 3.74Å; F179-D203 HydrophobicContact CE1-CB 4.22Å; F179-D203 HydrophobicContact CE2-CB 4.08Å; F179-D203 HydrophobicContact CG-CB 3.65Å; F179-D203 HydrophobicContact CZ-CB 4.33Å
180	D	93.3	Very high	92.9	Very high	89 Å²	89	53.5 Å²	53.5	48%	0.476	28%	0.282	S	S	.	.			trans	-109.5	0.1	-175.7	53.6	-19.6	0	0	0	114.5	G184 I185	D180-G184 WeakPolarHBondContact OD2-CA 3.49Å; D180-I185 WeakPolarHBondContact OD1-CB 3.25Å; D180-I185 PolarHBondContact OD1-N 3.11Å
181	G	90.9	Very high	92.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	89.3	-157.6	-176.3	0	0	0	0	0	110.7	G183 D203	G181-G183 PolarHBondContact O-N 2.97Å; G181-G183 VanDerWaalsContact O-O 3.06Å; G181-D203 PolarHBondContact N-OD2 3.01Å
182	P	90.8	Very high	92.9	Very high	105 Å²	105	43 Å²	43	68%	0.682	24%	0.242	S	C	*	.	S	Bend	trans	-60.8	126.2	-171.7	-22.7	32.5	0	0	0	114.1	D205	P182-D205 HydrophobicContact CG-CB 4.4Å
183	G	88.3	Confident	92.5	Very high	22 Å²	22	41.5 Å²	41.5	23%	0.227	24%	0.236	C	C	.	.	S	Bend	trans	85.9	-166.5	-175	0	0	0	0	0	112.4	G181 I185 E206	G181-G183 PolarHBondContact O-N 2.97Å; G181-G183 VanDerWaalsContact O-O 3.06Å; G183-I185 PolarHBondContact O-N 3.36Å; G183-E206 VanDerWaalsContact CA-OE1 3.23Å; G183-E206 WeakPolarHBondContact CA-OE1 3.13Å; G183-E206 PolarHBondContact N-OE1 3.07Å; G183-E206 VanDerWaalsContact O-OE1 3.14Å
184	G	92.1	Very high	92.1	Very high	26 Å²	26	42.8 Å²	42.8	27%	0.268	25%	0.246	S	C	.	.	S	Bend	trans	67.1	-108.6	173.5	0	0	0	0	0	113.2	P77 R78 D180	P77-G184 CarbonylContact C-O 3.43Å; P77-G184 VanDerWaalsContact CA-O 3.31Å; P77-G184 WeakPolarHBondContact CA-O 3.23Å; R78-G184 PolarHBondContact N-O 3.37Å; D180-G184 WeakPolarHBondContact OD2-CA 3.49Å
185	I	94.8	Very high	92	Very high	47 Å²	47	49.8 Å²	49.8	24%	0.241	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	110.1	-178.7	-58.8	176.9	0	0	0	110.3	F179 D180 G183	F179-I185 HydrophobicContact CD1-CB 4.31Å; F179-I185 HydrophobicContact CD1-CG2 3.73Å; F179-I185 HydrophobicContact CE1-CG2 3.92Å; D180-I185 WeakPolarHBondContact OD1-CB 3.25Å; D180-I185 PolarHBondContact OD1-N 3.11Å; G183-I185 PolarHBondContact O-N 3.36Å
186	L	96.6	Very high	91.9	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-39	-176	-59.8	-179.2	0	0	0	113.6	P77 R78 D203 E206 W208 T216 V221 Y246	P77-L186 HydrophobicContact CB-CD1 3.83Å; P77-L186 HydrophobicContact CB-CD2 3.79Å; P77-L186 HydrophobicContact CB-CG 3.88Å; R78-L186 PolarHBondContact O-N 2.87Å; L186-D203 PolarHBondContact O-N 3.31Å; L186-E206 HydrophobicContact CD2-CG 3.84Å; L186-E206 VanDerWaalsContact CD2-OE1 3.31Å; L186-E206 WeakPolarHBondContact CD2-OE1 3.35Å; L186-W208 HydrophobicContact CB-CH2 4.45Å; L186-T216 HydrophobicContact CD1-CG2 3.77Å; L186-T216 HydrophobicContact CD2-CG2 3.79Å; L186-T216 HydrophobicContact CG-CG2 4.28Å; L186-V221 HydrophobicContact CB-CG1 4.25Å; L186-V221 HydrophobicContact CB-CG2 4.4Å; L186-V221 HydrophobicContact CD1-CG2 3.82Å; L186-Y246 HydrophobicContact CD1-CD2 3.63Å; L186-Y246 HydrophobicContact CD1-CE2 4.47Å; L186-Y246 HydrophobicContact CD1-CG 3.75Å
187	A	97.9	Very high	92.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	168.4	-174.3	0	0	0	0	0	110.2	G80 H201 F202 V221 E225	G80-A187 PolarHBondContact N-O 3.3Å; A187-H201 CarbonylContact C-O 3.45Å; A187-H201 WeakPolarHBondContact CA-O 3.43Å; A187-H201 VanDerWaalsContact CB-O 3.23Å; A187-H201 WeakPolarHBondContact CB-O 3.49Å; A187-F202 HydrophobicContact CB-CD1 3.82Å; A187-F202 HydrophobicContact CB-CE1 4.27Å; A187-F202 HydrophobicContact CB-CG 4.32Å; A187-V221 HydrophobicContact CB-CG1 3.56Å; A187-E225 HydrophobicContact CB-CG 3.55Å
188	H	97.2	Very high	92.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	158.7	164.8	57.6	-110.9	0	0	0	111.6	V81 H173 D175 L177 F179 F190 H201 E225	V81-H188 HydrophobicContact CG2-CB 4.04Å; H173-H188 AromaticContact CE1-CE1 3.56Å; H173-H188 AromaticContact NE2-CE1 3.32Å; H173-H188 PolarHBondContact NE2-CE1 3.48Å; H173-H188 VanDerWaalsContact NE2-CE1 3.32Å; H173-H188 AromaticContact NE2-NE2 3.44Å; H173-H188 PolarHBondContact NE2-NE2 3.41Å; D175-H188 IonicContact OD1-NE2 3.48Å; D175-H188 IonicContact OD2-CD2 2.68Å; D175-H188 IonicContact OD2-CE1 3.52Å; D175-H188 IonicContact OD2-NE2 2.71Å; D175-H188 PolarHBondContact OD2-NE2 2.92Å; L177-H188 HydrophobicContact CD1-CB 4.34Å; L177-H188 PolarHBondContact O-CE1 2.94Å; F179-H188 AromaticContact CE1-CE1 3.68Å; F179-H188 AromaticContact CE1-ND1 3.41Å; F179-H188 WeakPolarHBondContact CE1-ND1 3.26Å; F179-H188 AromaticContact CZ-CE1 3.71Å; F179-H188 AromaticContact CZ-ND1 3.81Å; H188-F190 AromaticContact CD2-CE2 3.84Å; H188-H201 PolarHBondContact N-O 3.16Å; H188-H201 AromaticContact NE2-CG 3.84Å; H188-H201 AromaticContact NE2-ND1 3.32Å; H188-H201 PolarHBondContact NE2-ND1 3.12Å; H188-H201 PolarHBondContact O-N 3.19Å; H188-E225 WeakPolarHBondContact CA-OE2 3.48Å
189	A	96.8	Very high	92.5	Very high	3 Å²	3	45.9 Å²	45.9	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154.6	177.8	0	0	0	0	0	113	E199 V200 E225 H228 V229	A189-E199 WeakPolarHBondContact CA-O 3.17Å; A189-V200 HydrophobicContact CB-CG1 4.29Å; A189-V200 HydrophobicContact CB-CG2 4.27Å; A189-E225 HydrophobicContact CB-CB 4.07Å; A189-E225 WeakPolarHBondContact CB-O 3.32Å; A189-E225 PolarHBondContact N-OE2 3.43Å; A189-E225 VanDerWaalsContact N-OE2 3.07Å; A189-H228 HydrophobicContact CB-CB 3.72Å; A189-V229 HydrophobicContact CB-CG2 3.54Å
190	F	93.8	Very high	92.6	Very high	36 Å²	36	45.4 Å²	45.4	16%	0.158	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-103.9	130.5	178.6	-68.3	-86.5	0	0	0	111.9	D175 L177 H188 K196 G198 E199	D175-F190 HydrophobicContact CB-CE2 4.46Å; D175-F190 HydrophobicContact CB-CZ 3.94Å; L177-F190 HydrophobicContact CD1-CE1 4.5Å; L177-F190 HydrophobicContact CD1-CZ 4.29Å; H188-F190 AromaticContact CD2-CE2 3.84Å; F190-K196 HydrophobicContact CB-CB 4.07Å; F190-K196 WeakPolarHBondContact CB-O 3.47Å; F190-K196 HydrophobicContact CD1-CB 3.79Å; F190-K196 HydrophobicContact CD1-CD 4.3Å; F190-K196 HydrophobicContact CD2-CB 4.07Å; F190-K196 HydrophobicContact CD2-CD 4.48Å; F190-K196 HydrophobicContact CE1-CB 4.24Å; F190-K196 HydrophobicContact CE1-CD 3.89Å; F190-K196 HydrophobicContact CE2-CB 4.48Å; F190-K196 HydrophobicContact CE2-CD 4.08Å; F190-K196 HydrophobicContact CG-CB 3.69Å; F190-K196 HydrophobicContact CZ-CD 3.77Å; F190-G198 PolarHBondContact O-N 2.87Å; F190-E199 HydrophobicContact CD2-CB 3.7Å; F190-E199 HydrophobicContact CE2-CB 4.4Å; F190-E199 HydrophobicContact CG-CB 4.47Å; F190-E199 PolarHBondContact N-O 2.87Å
191	F	92.7	Very high	92.8	Very high	14 Å²	14	41.7 Å²	41.7	6%	0.061	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-68.5	155.2	-174.7	-64.5	-96.4	0	0	0	113	V81 F110 T194 H228 L232	V81-F191 HydrophobicContact CG1-CE2 3.7Å; V81-F191 HydrophobicContact CG1-CZ 3.8Å; F110-F191 HydrophobicContact CB-CD1 4.4Å; F110-F191 HydrophobicContact CB-CE1 3.99Å; F110-F191 HydrophobicContact CB-CZ 4.23Å; F110-F191 HydrophobicContact CD1-CD2 4.09Å; F110-F191 HydrophobicContact CD1-CE2 4Å; F110-F191 HydrophobicContact CD1-CG 4.46Å; F110-F191 HydrophobicContact CD1-CZ 4.27Å; F191-T194 HydrophobicContact CB-CG2 3.87Å; F191-T194 WeakPolarHBondContact O-CB 3.46Å; F191-T194 WeakPolarHBondContact O-CG2 3.13Å; F191-T194 PolarHBondContact O-N 2.99Å; F191-T194 PolarHBondContact O-OG1 3.3Å; F191-H228 WeakPolarHBondContact CD1-O 3.23Å; F191-H228 HydrophobicContact CE1-CB 4.4Å; F191-H228 AromaticContact CE1-ND1 3.77Å; F191-H228 HydrophobicContact CZ-CB 4.31Å; F191-H228 AromaticContact CZ-ND1 3.48Å; F191-H228 WeakPolarHBondContact CZ-ND1 3.34Å; F191-L232 VanDerWaalsContact CE1-O 3.24Å; F191-L232 WeakPolarHBondContact CE1-O 3.47Å
192	P	93.1	Very high	93.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	145.2	167.8	-24.1	34.1	0	0	0	112.1	G112 T194 V229	G112-P192 PolarHBondContact N-O 3.26Å; G112-P192 VanDerWaalsContact N-O 3.13Å; P192-T194 VanDerWaalsContact C-N 3.28Å; P192-T194 PolarHBondContact O-N 2.97Å; P192-V229 VanDerWaalsContact CD-O 3.28Å; P192-V229 WeakPolarHBondContact CD-O 3.32Å; P192-V229 WeakPolarHBondContact CG-O 3.14Å
193	R	87	Confident	93.5	Very high	159 Å²	159	36.7 Å²	36.7	60%	0.6	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	26.5	-178.8	-48.3	-174.5	178.9	173.3	-7.3	114.2	D115 E197	D115-R193 IonicContact OD1-CZ 2.87Å; D115-R193 IonicContact OD1-NH2 3.47Å; D115-R193 PolarHBondContact OD1-NH2 3.31Å; R193-E197 PolarHBondContact N-OE2 2.9Å
194	T	86.4	Confident	93.9	Very high	55 Å²	55	38 Å²	38	34%	0.337	19%	0.185	S	C	.	.	S	Bend	trans	-108	169.9	167.9	69.2	0	0	0	0	110.4	F191 P192 K196 E197	F191-T194 HydrophobicContact CB-CG2 3.87Å; F191-T194 WeakPolarHBondContact O-CB 3.46Å; F191-T194 WeakPolarHBondContact O-CG2 3.13Å; F191-T194 PolarHBondContact O-N 2.99Å; F191-T194 PolarHBondContact O-OG1 3.3Å; P192-T194 VanDerWaalsContact C-N 3.28Å; P192-T194 PolarHBondContact O-N 2.97Å; T194-K196 PolarHBondContact O-N 3.4Å; T194-E197 PolarHBondContact O-N 3.26Å
195	L	85.9	Confident	94	Very high	188 Å²	188	38.2 Å²	38.2	98%	0.984	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-24.6	-178.6	-70.6	174.7	0	0	0	113.8
196	K	88.9	Confident	94	Very high	57 Å²	57	36.3 Å²	36.3	25%	0.248	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	30.4	-179.5	-68.4	-174	164.4	-127.4	0	111.4	G174 D175 F190 T194 G198 E199	G174-K196 PolarHBondContact O-NZ 3.33Å; D175-K196 HydrophobicContact CB-CD 4.34Å; D175-K196 VanDerWaalsContact CB-NZ 3.31Å; F190-K196 HydrophobicContact CB-CB 4.07Å; F190-K196 WeakPolarHBondContact CB-O 3.47Å; F190-K196 HydrophobicContact CD1-CB 3.79Å; F190-K196 HydrophobicContact CD1-CD 4.3Å; F190-K196 HydrophobicContact CD2-CB 4.07Å; F190-K196 HydrophobicContact CD2-CD 4.48Å; F190-K196 HydrophobicContact CE1-CB 4.24Å; F190-K196 HydrophobicContact CE1-CD 3.89Å; F190-K196 HydrophobicContact CE2-CB 4.48Å; F190-K196 HydrophobicContact CE2-CD 4.08Å; F190-K196 HydrophobicContact CG-CB 3.69Å; F190-K196 HydrophobicContact CZ-CD 3.77Å; T194-K196 PolarHBondContact O-N 3.4Å; K196-G198 PolarHBondContact O-N 2.86Å; K196-E199 HydrophobicContact CB-CG 4.41Å; K196-E199 IonicContact NZ-OE2 3.68Å; K196-E199 WeakPolarHBondContact O-CB 3.31Å; K196-E199 PolarHBondContact O-N 3.09Å; K196-E199 VanDerWaalsContact O-N 3.14Å
197	E	91.8	Very high	93.7	Very high	91 Å²	91	40.9 Å²	40.9	43%	0.425	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	134.1	-174.6	66.4	-178.8	168.9	0	0	112.4	W114 R193 T194 E199	W114-E197 HydrophobicContact CH2-CG 4.38Å; R193-E197 PolarHBondContact N-OE2 2.9Å; T194-E197 PolarHBondContact O-N 3.26Å; E197-E199 VanDerWaalsContact C-N 3.31Å; E197-E199 PolarHBondContact O-N 3.43Å
198	G	91.7	Very high	93.4	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	-3.3	178.7	0	0	0	0	0	115.5	D163 I164 I165 F190 K196	D163-G198 WeakPolarHBondContact O-CA 3.1Å; I164-G198 CarbonylContact C-O 3.49Å; I164-G198 VanDerWaalsContact CA-O 3.24Å; I164-G198 WeakPolarHBondContact CA-O 3.44Å; I164-G198 WeakPolarHBondContact CG2-O 3.41Å; I165-G198 PolarHBondContact N-O 2.96Å; F190-G198 PolarHBondContact O-N 2.87Å; K196-G198 PolarHBondContact O-N 2.86Å
199	E	96.1	Very high	92.9	Very high	56 Å²	56	41.3 Å²	41.3	26%	0.262	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.6	171.9	-69.5	178.4	-151.7	0	0	111.1	A189 F190 K196 E197 H201	A189-E199 WeakPolarHBondContact CA-O 3.17Å; F190-E199 HydrophobicContact CD2-CB 3.7Å; F190-E199 HydrophobicContact CE2-CB 4.4Å; F190-E199 HydrophobicContact CG-CB 4.47Å; F190-E199 PolarHBondContact N-O 2.87Å; K196-E199 HydrophobicContact CB-CG 4.41Å; K196-E199 IonicContact NZ-OE2 3.68Å; K196-E199 WeakPolarHBondContact O-CB 3.31Å; K196-E199 PolarHBondContact O-N 3.09Å; K196-E199 VanDerWaalsContact O-N 3.14Å; E197-E199 VanDerWaalsContact C-N 3.31Å; E197-E199 PolarHBondContact O-N 3.43Å; E199-H201 IonicContact OE2-CE1 3.11Å; E199-H201 IonicContact OE2-NE2 3.47Å
200	V	98.2	Very high	91.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122	173.6	-168.3	0	0	0	0	109.1	I164 I165 I166 D167 A189 F202 E225 F226 V229	I164-V200 HydrophobicContact CG2-CG2 3.91Å; I165-V200 PolarHBondContact O-N 3.24Å; I166-V200 WeakPolarHBondContact CA-O 3.24Å; I166-V200 HydrophobicContact CG1-CB 4.24Å; I166-V200 HydrophobicContact CG1-CG2 4.39Å; D167-V200 PolarHBondContact N-O 3.21Å; A189-V200 HydrophobicContact CB-CG1 4.29Å; A189-V200 HydrophobicContact CB-CG2 4.27Å; V200-F202 HydrophobicContact CB-CE2 4.33Å; V200-F202 HydrophobicContact CG1-CD2 4.15Å; V200-F202 HydrophobicContact CG1-CE2 3.45Å; V200-F202 VanDerWaalsContact CG1-CE2 3.45Å; V200-F202 HydrophobicContact CG1-CZ 3.86Å; V200-E225 HydrophobicContact CG1-CB 3.71Å; V200-E225 HydrophobicContact CG1-CG 4.27Å; V200-F226 HydrophobicContact CG1-CE1 4.46Å; V200-F226 HydrophobicContact CG2-CD1 4.38Å; V200-F226 HydrophobicContact CG2-CE1 4.38Å; V200-V229 HydrophobicContact CG2-CB 4.46Å; V200-V229 HydrophobicContact CG2-CG2 3.26Å
201	H	98.4	Very high	89.9	Confident	10 Å²	10	40.1 Å²	40.1	5%	0.046	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.4	179.5	-59.1	157.1	0	0	0	110.1	D167 H173 D175 F179 A187 H188 E199	D167-H201 WeakPolarHBondContact O-CA 3.42Å; H173-H201 AromaticContact CD2-CE1 3.91Å; H173-H201 AromaticContact CD2-CG 3.83Å; H173-H201 AromaticContact CD2-ND1 3.28Å; H173-H201 PolarHBondContact CD2-ND1 3.46Å; H173-H201 VanDerWaalsContact CD2-ND1 3.28Å; H173-H201 AromaticContact NE2-CG 3.66Å; H173-H201 AromaticContact NE2-ND1 3.16Å; H173-H201 PolarHBondContact NE2-ND1 2.99Å; H173-H201 VanDerWaalsContact NE2-ND1 3.16Å; D175-H201 IonicContact OD2-CE1 2.9Å; D175-H201 PolarHBondContact OD2-CE1 3.21Å; D175-H201 VanDerWaalsContact OD2-CE1 3.31Å; D175-H201 IonicContact OD2-ND1 3.87Å; D175-H201 PolarHBondContact OD2-ND1 2.74Å; F179-H201 HydrophobicContact CE2-CB 4.1Å; F179-H201 HydrophobicContact CZ-CB 3.77Å; A187-H201 CarbonylContact C-O 3.45Å; A187-H201 WeakPolarHBondContact CA-O 3.43Å; A187-H201 VanDerWaalsContact CB-O 3.23Å; A187-H201 WeakPolarHBondContact CB-O 3.49Å; H188-H201 PolarHBondContact N-O 3.16Å; H188-H201 AromaticContact NE2-CG 3.84Å; H188-H201 AromaticContact NE2-ND1 3.32Å; H188-H201 PolarHBondContact NE2-ND1 3.12Å; H188-H201 PolarHBondContact O-N 3.19Å; E199-H201 IonicContact OE2-CE1 3.11Å; E199-H201 IonicContact OE2-NE2 3.47Å
202	F	98.4	Very high	88.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	139.2	172.5	-65.8	-92.9	0	0	0	109.2	L139 I166 D167 F168 N169 F179 A187 V200 Y204 W208 L218 V221 A222 E225	L139-F202 HydrophobicContact CD2-CZ 4.5Å; I166-F202 HydrophobicContact CG2-CD2 3.95Å; I166-F202 HydrophobicContact CG2-CE2 3.64Å; D167-F202 PolarHBondContact O-N 3.09Å; F168-F202 CarbonylContact C-O 3.47Å; F168-F202 WeakPolarHBondContact CA-O 3.43Å; F168-F202 HydrophobicContact CD1-CB 3.55Å; F168-F202 HydrophobicContact CD1-CG 4.34Å; F168-F202 HydrophobicContact CE1-CB 3.65Å; F168-F202 HydrophobicContact CE1-CD2 4.43Å; F168-F202 AromaticContact CE1-CG 3.99Å; F168-F202 HydrophobicContact CE1-CG 3.99Å; F168-F202 HydrophobicContact CE2-CD2 4.28Å; F168-F202 HydrophobicContact CG-CB 4.06Å; F168-F202 HydrophobicContact CZ-CB 4.24Å; F168-F202 HydrophobicContact CZ-CD2 4.18Å; F168-F202 HydrophobicContact CZ-CG 4.16Å; N169-F202 PolarHBondContact N-O 3Å; F179-F202 WeakPolarHBondContact CE2-O 3.3Å; A187-F202 HydrophobicContact CB-CD1 3.82Å; A187-F202 HydrophobicContact CB-CE1 4.27Å; A187-F202 HydrophobicContact CB-CG 4.32Å; V200-F202 HydrophobicContact CB-CE2 4.33Å; V200-F202 HydrophobicContact CG1-CD2 4.15Å; V200-F202 HydrophobicContact CG1-CE2 3.45Å; V200-F202 VanDerWaalsContact CG1-CE2 3.45Å; V200-F202 HydrophobicContact CG1-CZ 3.86Å; F202-Y204 PolarHBondContact O-N 3.36Å; F202-W208 HydrophobicContact CB-CH2 4.46Å; F202-W208 HydrophobicContact CB-CZ2 3.83Å; F202-W208 AromaticContact CD1-CH2 3.85Å; F202-W208 HydrophobicContact CD1-CH2 3.85Å; F202-W208 HydrophobicContact CD1-CZ2 4.06Å; F202-W208 HydrophobicContact CD1-CZ3 4.47Å; F202-W208 HydrophobicContact CG-CZ2 4.45Å; F202-L218 HydrophobicContact CD1-CD1 3.86Å; F202-L218 HydrophobicContact CE1-CD1 3.88Å; F202-V221 HydrophobicContact CD1-CG1 4.11Å; F202-V221 HydrophobicContact CE1-CB 4.45Å; F202-V221 HydrophobicContact CE1-CG1 3.95Å; F202-A222 HydrophobicContact CE1-CB 3.95Å; F202-A222 HydrophobicContact CZ-CB 3.75Å; F202-E225 HydrophobicContact CE1-CG 4.38Å
203	D	97.6	Very high	86.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	114.8	174.8	-170.8	-5.5	0	0	0	109.9	N169 F179 G181 L186 D205 E206 W208	N169-D203 CarbonylContact O-C 3.54Å; N169-D203 WeakPolarHBondContact O-CA 3.49Å; F179-D203 HydrophobicContact CB-CB 4.12Å; F179-D203 WeakPolarHBondContact CB-OD2 3.29Å; F179-D203 HydrophobicContact CD1-CB 3.87Å; F179-D203 HydrophobicContact CD2-CB 3.74Å; F179-D203 HydrophobicContact CE1-CB 4.22Å; F179-D203 HydrophobicContact CE2-CB 4.08Å; F179-D203 HydrophobicContact CG-CB 3.65Å; F179-D203 HydrophobicContact CZ-CB 4.33Å; G181-D203 PolarHBondContact N-OD2 3.01Å; L186-D203 PolarHBondContact O-N 3.31Å; D203-D205 PolarHBondContact O-N 2.88Å; D203-D205 PolarHBondContact OD1-N 3.09Å; D203-E206 HydrophobicContact CB-CG 4.04Å; D203-E206 WeakPolarHBondContact O-CB 3.42Å; D203-E206 PolarHBondContact O-N 3.28Å; D203-W208 VanDerWaalsContact O-CE2 3.3Å; D203-W208 WeakPolarHBondContact O-CZ2 3.46Å; D203-W208 PolarHBondContact O-NE1 3.48Å
204	Y	96.2	Very high	85.5	Confident	50 Å²	50	44.7 Å²	44.7	20%	0.196	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.3	-179.9	-171.3	-76	0	0	0	112.2	F126 W128 F168 N169 R170 F202 E206	F126-Y204 WeakPolarHBondContact O-CE2 3.5Å; W128-Y204 AromaticContact CD1-CE1 3.41Å; W128-Y204 VanDerWaalsContact CD1-CE1 3.41Å; W128-Y204 AromaticContact CD1-CZ 3.73Å; W128-Y204 HydrophobicContact CG-CE1 4.41Å; F168-Y204 HydrophobicContact CB-CD2 3.67Å; F168-Y204 HydrophobicContact CB-CG 4.46Å; N169-Y204 VanDerWaalsContact O-CB 3.22Å; N169-Y204 WeakPolarHBondContact O-CB 3.47Å; N169-Y204 PolarHBondContact O-N 3.02Å; R170-Y204 HydrophobicContact CG-CD1 4.14Å; R170-Y204 HydrophobicContact CG-CG 4.17Å; F202-Y204 PolarHBondContact O-N 3.36Å; Y204-E206 VanDerWaalsContact C-N 3.3Å
205	D	94.8	Very high	85.3	Confident	30 Å²	30	43 Å²	43	16%	0.16	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.7	179.4	-77	-43.9	0	0	0	113.7	R170 Y171 P182 D203	R170-D205 IonicContact CZ-OD1 2.8Å; R170-D205 IonicContact CZ-OD2 3.12Å; R170-D205 IonicContact NE-OD1 3.3Å; R170-D205 IonicContact NH1-OD1 3.67Å; R170-D205 PolarHBondContact NH1-OD1 3.4Å; R170-D205 IonicContact NH1-OD2 2.87Å; R170-D205 IonicContact NH2-OD1 3.24Å; R170-D205 PolarHBondContact NH2-OD1 3.07Å; Y171-D205 WeakPolarHBondContact CE2-OD2 3.34Å; P182-D205 HydrophobicContact CG-CB 4.4Å; D203-D205 PolarHBondContact O-N 2.88Å; D203-D205 PolarHBondContact OD1-N 3.09Å
206	E	94.2	Very high	85.4	Confident	8 Å²	8	34.6 Å²	34.6	4%	0.037	19%	0.188	C	C	.	.	S	Bend	trans	-65.3	147.6	169.5	-73.1	-61.1	148.1	0	0	112.8	Q129 G183 L186 D203 Y204 W208 T216	Q129-E206 PolarHBondContact NE2-O 2.62Å; G183-E206 VanDerWaalsContact CA-OE1 3.23Å; G183-E206 WeakPolarHBondContact CA-OE1 3.13Å; G183-E206 PolarHBondContact N-OE1 3.07Å; G183-E206 VanDerWaalsContact O-OE1 3.14Å; L186-E206 HydrophobicContact CD2-CG 3.84Å; L186-E206 VanDerWaalsContact CD2-OE1 3.31Å; L186-E206 WeakPolarHBondContact CD2-OE1 3.35Å; D203-E206 HydrophobicContact CB-CG 4.04Å; D203-E206 WeakPolarHBondContact O-CB 3.42Å; D203-E206 PolarHBondContact O-N 3.28Å; Y204-E206 VanDerWaalsContact C-N 3.3Å; E206-W208 VanDerWaalsContact C-N 3.27Å; E206-W208 HydrophobicContact CB-CD2 4.1Å; E206-W208 HydrophobicContact CB-CG 4.44Å; E206-W208 HydrophobicContact CB-CH2 4.41Å; E206-W208 HydrophobicContact CB-CZ2 3.77Å; E206-W208 HydrophobicContact CG-CH2 4.42Å; E206-W208 HydrophobicContact CG-CZ2 3.97Å; E206-W208 PolarHBondContact O-N 2.87Å; E206-T216 PolarHBondContact OE2-OG1 3.44Å
207	H	90.6	Very high	85.4	Confident	99 Å²	99	32.4 Å²	32.4	46%	0.458	18%	0.179	S	C	.	.			trans	-81.7	77.9	169.8	-167.8	67.8	0	0	0	109.8	T209 G215 T216	H207-T209 PolarHBondContact O-N 3.46Å; H207-G215 WeakPolarHBondContact O-CA 3.2Å; H207-T216 PolarHBondContact O-N 2.87Å
208	W	92.1	Very high	85.5	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	125.4	179.8	-66	109.1	0	0	0	112	P127 F168 L186 F202 D203 E206 T216 L218 V221	P127-W208 HydrophobicContact CB-CB 4.41Å; P127-W208 HydrophobicContact CB-CG 4.31Å; F168-W208 AromaticContact CD1-NE1 3.78Å; F168-W208 HydrophobicContact CE1-CD2 4.43Å; F168-W208 HydrophobicContact CE1-CG 4.44Å; F168-W208 AromaticContact CE1-NE1 3.84Å; L186-W208 HydrophobicContact CB-CH2 4.45Å; F202-W208 HydrophobicContact CB-CH2 4.46Å; F202-W208 HydrophobicContact CB-CZ2 3.83Å; F202-W208 AromaticContact CD1-CH2 3.85Å; F202-W208 HydrophobicContact CD1-CH2 3.85Å; F202-W208 HydrophobicContact CD1-CZ2 4.06Å; F202-W208 HydrophobicContact CD1-CZ3 4.47Å; F202-W208 HydrophobicContact CG-CZ2 4.45Å; D203-W208 VanDerWaalsContact O-CE2 3.3Å; D203-W208 WeakPolarHBondContact O-CZ2 3.46Å; D203-W208 PolarHBondContact O-NE1 3.48Å; E206-W208 VanDerWaalsContact C-N 3.27Å; E206-W208 HydrophobicContact CB-CD2 4.1Å; E206-W208 HydrophobicContact CB-CG 4.44Å; E206-W208 HydrophobicContact CB-CH2 4.41Å; E206-W208 HydrophobicContact CB-CZ2 3.77Å; E206-W208 HydrophobicContact CG-CH2 4.42Å; E206-W208 HydrophobicContact CG-CZ2 3.97Å; E206-W208 PolarHBondContact O-N 2.87Å; W208-T216 WeakPolarHBondContact CA-O 3.33Å; W208-T216 HydrophobicContact CE3-CG2 4.01Å; W208-T216 HydrophobicContact CH2-CG2 4.09Å; W208-T216 HydrophobicContact CZ3-CG2 3.5Å; W208-L218 HydrophobicContact CD2-CD1 4.06Å; W208-L218 HydrophobicContact CE3-CB 3.8Å; W208-L218 HydrophobicContact CE3-CD1 3.69Å; W208-L218 HydrophobicContact CE3-CG 4.33Å; W208-L218 HydrophobicContact CH2-CD1 4.48Å; W208-L218 HydrophobicContact CZ3-CB 4.44Å; W208-L218 HydrophobicContact CZ3-CD1 3.91Å; W208-V221 HydrophobicContact CH2-CB 4.2Å; W208-V221 HydrophobicContact CH2-CG1 3.99Å; W208-V221 HydrophobicContact CH2-CG2 4.28Å; W208-V221 HydrophobicContact CZ3-CB 3.93Å; W208-V221 HydrophobicContact CZ3-CG1 4.25Å; W208-V221 HydrophobicContact CZ3-CG2 3.9Å
209	T	86	Confident	85.5	Confident	8 Å²	8	28.2 Å²	28.2	5%	0.049	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	179.9	177.3	65.4	0	0	0	0	109.9	H207 N212 T216 D217 L218	H207-T209 PolarHBondContact O-N 3.46Å; T209-N212 VanDerWaalsContact CB-CG 3.43Å; T209-N212 WeakPolarHBondContact CB-ND2 3.44Å; T209-N212 WeakPolarHBondContact CB-OD1 3.45Å; T209-N212 VanDerWaalsContact CG2-ND2 3.34Å; T209-N212 WeakPolarHBondContact CG2-ND2 3.33Å; T209-N212 WeakPolarHBondContact CG2-OD1 3.21Å; T209-N212 PolarHBondContact OG1-OD1 3.32Å; T209-T216 PolarHBondContact N-O 3.19Å; T209-D217 WeakPolarHBondContact O-CA 3.37Å; T209-L218 PolarHBondContact O-N 2.87Å
210	V	71.5	Confident	85.3	Confident	9 Å²	9	26.2 Å²	26.2	6%	0.055	15%	0.15	C	C	.	.	S	Bend	trans	-134.3	119.5	172.5	165.5	0	0	0	0	107.6	M130 I138 N212 A363	M130-V210 HydrophobicContact CE-CB 4.04Å; M130-V210 HydrophobicContact CE-CG2 3.49Å; M130-V210 VanDerWaalsContact CE-CG2 3.49Å; M130-V210 HydrophobicContact SD-CG2 4.26Å; I138-V210 HydrophobicContact CD1-CG2 3.16Å; I138-V210 HydrophobicContact CG1-CG2 3.63Å; V210-N212 PolarHBondContact O-N 2.94Å; V210-N212 VanDerWaalsContact O-N 3.11Å; V210-A363 HydrophobicContact CG1-CB 4.46Å
211	G	56.3	Low	85.2	Confident	6 Å²	6	26.6 Å²	26.6	6%	0.062	15%	0.152	C	C	.	.	S	Bend	trans	63	13.3	174.5	0	0	0	0	0	114.9	D217 R301	G211-D217 VanDerWaalsContact CA-OD2 3.27Å; G211-D217 WeakPolarHBondContact CA-OD2 3.03Å; G211-D217 PolarHBondContact N-OD2 2.82Å; G211-R301 CarbonylContact O-C 3.55Å; G211-R301 WeakPolarHBondContact O-CA 3.16Å; G211-R301 WeakPolarHBondContact O-CB 3.16Å; G211-R301 WeakPolarHBondContact O-CG 3.45Å
212	N	56.2	Low	85.1	Confident	61 Å²	61	26.1 Å²	26.1	33%	0.326	15%	0.15	S	C	.	.			trans	-105.8	142.2	174.1	71.8	29.6	0	0	0	110.3	T209 V210 V214 G215	T209-N212 VanDerWaalsContact CB-CG 3.43Å; T209-N212 WeakPolarHBondContact CB-ND2 3.44Å; T209-N212 WeakPolarHBondContact CB-OD1 3.45Å; T209-N212 VanDerWaalsContact CG2-ND2 3.34Å; T209-N212 WeakPolarHBondContact CG2-ND2 3.33Å; T209-N212 WeakPolarHBondContact CG2-OD1 3.21Å; T209-N212 PolarHBondContact OG1-OD1 3.32Å; V210-N212 PolarHBondContact O-N 2.94Å; V210-N212 VanDerWaalsContact O-N 3.11Å; N212-V214 PolarHBondContact O-N 3.28Å; N212-V214 VanDerWaalsContact O-N 3.15Å; N212-G215 PolarHBondContact OD1-N 3.16Å
213	S	56.8	Low	85.1	Confident	85 Å²	85	26.1 Å²	26.1	59%	0.594	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	8.1	179.2	64.9	0	0	0	0	113.2
214	V	67.8	Low	85	Confident	124 Å²	124	26.7 Å²	26.7	75%	0.752	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-3	-173.1	-172.7	0	0	0	0	111.4	N212	N212-V214 PolarHBondContact O-N 3.28Å; N212-V214 VanDerWaalsContact O-N 3.15Å
215	G	81.5	Confident	85.1	Confident	18 Å²	18	24.4 Å²	24.4	19%	0.186	14%	0.144	C	C	.	.	S	Bend	trans	-147.6	-166.6	177	0	0	0	0	0	113.3	H207 N212	H207-G215 WeakPolarHBondContact O-CA 3.2Å; N212-G215 PolarHBondContact OD1-N 3.16Å
216	T	87.7	Confident	85.3	Confident	13 Å²	13	23 Å²	23	8%	0.08	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	116.4	179.2	-56.7	0	0	0	0	109.1	L186 E206 H207 W208 T209 L218 V221 Y246	L186-T216 HydrophobicContact CD1-CG2 3.77Å; L186-T216 HydrophobicContact CD2-CG2 3.79Å; L186-T216 HydrophobicContact CG-CG2 4.28Å; E206-T216 PolarHBondContact OE2-OG1 3.44Å; H207-T216 PolarHBondContact O-N 2.87Å; W208-T216 WeakPolarHBondContact CA-O 3.33Å; W208-T216 HydrophobicContact CE3-CG2 4.01Å; W208-T216 HydrophobicContact CH2-CG2 4.09Å; W208-T216 HydrophobicContact CZ3-CG2 3.5Å; T209-T216 PolarHBondContact N-O 3.19Å; T216-L218 PolarHBondContact O-N 3.32Å; T216-V221 HydrophobicContact CG2-CG2 3.82Å; T216-Y246 HydrophobicContact CG2-CE2 4.12Å
217	D	90.2	Very high	85.4	Confident	11 Å²	11	22.6 Å²	22.6	6%	0.059	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	110.2	-177.3	-171.7	-53	0	0	0	110.7	T209 G211 L219 Q220 V221 Y246	T209-D217 WeakPolarHBondContact O-CA 3.37Å; G211-D217 VanDerWaalsContact CA-OD2 3.27Å; G211-D217 WeakPolarHBondContact CA-OD2 3.03Å; G211-D217 PolarHBondContact N-OD2 2.82Å; D217-L219 VanDerWaalsContact C-N 3.3Å; D217-L219 PolarHBondContact O-N 3.26Å; D217-L219 WeakPolarHBondContact OD1-CA 3.1Å; D217-L219 WeakPolarHBondContact OD1-CB 3.36Å; D217-L219 PolarHBondContact OD1-N 2.74Å; D217-Q220 HydrophobicContact CB-CB 4.12Å; D217-Q220 PolarHBondContact O-N 2.76Å; D217-Q220 PolarHBondContact OD1-N 2.9Å; D217-V221 WeakPolarHBondContact O-CG2 3.37Å; D217-V221 PolarHBondContact O-N 3.25Å; D217-V221 VanDerWaalsContact O-N 3.15Å; D217-Y246 HydrophobicContact CB-CE2 4.44Å; D217-Y246 VanDerWaalsContact CB-OH 3.29Å; D217-Y246 WeakPolarHBondContact CB-OH 3.43Å; D217-Y246 PolarHBondContact N-OH 3.47Å
218	L	93.6	Very high	85.7	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64	-33.6	-178	-179.1	60.8	0	0	0	112.5	V135 I138 F168 F202 W208 T209 T216 A222	V135-L218 HydrophobicContact CG1-CD2 4.26Å; V135-L218 HydrophobicContact CG2-CD2 4.44Å; I138-L218 HydrophobicContact CD1-CD2 4.09Å; I138-L218 HydrophobicContact CG2-CB 4.16Å; I138-L218 HydrophobicContact CG2-CD2 4.17Å; I138-L218 HydrophobicContact CG2-CG 3.9Å; F168-L218 HydrophobicContact CE1-CD1 3.96Å; F168-L218 HydrophobicContact CZ-CD1 3.89Å; F168-L218 HydrophobicContact CZ-CD2 4.11Å; F202-L218 HydrophobicContact CD1-CD1 3.86Å; F202-L218 HydrophobicContact CE1-CD1 3.88Å; W208-L218 HydrophobicContact CD2-CD1 4.06Å; W208-L218 HydrophobicContact CE3-CB 3.8Å; W208-L218 HydrophobicContact CE3-CD1 3.69Å; W208-L218 HydrophobicContact CE3-CG 4.33Å; W208-L218 HydrophobicContact CH2-CD1 4.48Å; W208-L218 HydrophobicContact CZ3-CB 4.44Å; W208-L218 HydrophobicContact CZ3-CD1 3.91Å; T209-L218 PolarHBondContact O-N 2.87Å; T216-L218 PolarHBondContact O-N 3.32Å; L218-A222 WeakPolarHBondContact O-CB 3.41Å; L218-A222 PolarHBondContact O-N 2.98Å
219	L	91.9	Very high	85.9	Confident	3 Å²	3	17.8 Å²	17.8	2%	0.016	11%	0.112	C	C	.	.	H	α-helix	trans	-63.6	-45.6	179	174.1	63.3	0	0	0	110.2	I138 E141 A142 D217 A223 L252	I138-L219 HydrophobicContact CG2-CB 3.85Å; I138-L219 HydrophobicContact CG2-CD1 4.37Å; E141-L219 HydrophobicContact CB-CD1 3.8Å; E141-L219 HydrophobicContact CG-CD1 3.78Å; E141-L219 HydrophobicContact CG-CD2 4.41Å; E141-L219 VanDerWaalsContact OE1-CD2 3.32Å; E141-L219 WeakPolarHBondContact OE1-CD2 3.24Å; A142-L219 HydrophobicContact CB-CD1 4.03Å; D217-L219 VanDerWaalsContact C-N 3.3Å; D217-L219 PolarHBondContact O-N 3.26Å; D217-L219 WeakPolarHBondContact OD1-CA 3.1Å; D217-L219 WeakPolarHBondContact OD1-CB 3.36Å; D217-L219 PolarHBondContact OD1-N 2.74Å; L219-A223 VanDerWaalsContact O-CB 3.31Å; L219-A223 WeakPolarHBondContact O-CB 3.42Å; L219-A223 PolarHBondContact O-N 3.39Å; L219-L252 HydrophobicContact CD1-CD2 3.87Å; L219-L252 HydrophobicContact CD2-CB 4.17Å; L219-L252 HydrophobicContact CG-CB 4.36Å; L219-L252 HydrophobicContact CG-CD2 3.92Å
220	Q	91.8	Very high	86.5	Confident	14 Å²	14	17.4 Å²	17.4	7%	0.065	11%	0.11	C	C	.	.	H	α-helix	trans	-66	-46.2	-179.4	-176.8	65.7	54.5	0	0	112.2	D217 H224 Y246 S247	D217-Q220 HydrophobicContact CB-CB 4.12Å; D217-Q220 PolarHBondContact O-N 2.76Å; D217-Q220 PolarHBondContact OD1-N 2.9Å; Q220-H224 PolarHBondContact O-N 2.99Å; Q220-Y246 HydrophobicContact CB-CE2 4.47Å; Q220-Y246 HydrophobicContact CG-CE2 4.35Å; Q220-S247 WeakPolarHBondContact CG-O 3.34Å
221	V	95.7	Very high	87.5	Confident	7 Å²	7	17 Å²	17	4%	0.042	11%	0.107	C	C	.	.	H	α-helix	trans	-67.8	-43.8	179.1	-179.4	0	0	0	0	110.5	L186 A187 F202 W208 T216 D217 A223 H224 E225 Y246	L186-V221 HydrophobicContact CB-CG1 4.25Å; L186-V221 HydrophobicContact CB-CG2 4.4Å; L186-V221 HydrophobicContact CD1-CG2 3.82Å; A187-V221 HydrophobicContact CB-CG1 3.56Å; F202-V221 HydrophobicContact CD1-CG1 4.11Å; F202-V221 HydrophobicContact CE1-CB 4.45Å; F202-V221 HydrophobicContact CE1-CG1 3.95Å; W208-V221 HydrophobicContact CH2-CB 4.2Å; W208-V221 HydrophobicContact CH2-CG1 3.99Å; W208-V221 HydrophobicContact CH2-CG2 4.28Å; W208-V221 HydrophobicContact CZ3-CB 3.93Å; W208-V221 HydrophobicContact CZ3-CG1 4.25Å; W208-V221 HydrophobicContact CZ3-CG2 3.9Å; T216-V221 HydrophobicContact CG2-CG2 3.82Å; D217-V221 WeakPolarHBondContact O-CG2 3.37Å; D217-V221 PolarHBondContact O-N 3.25Å; D217-V221 VanDerWaalsContact O-N 3.15Å; V221-A223 PolarHBondContact O-N 2.73Å; V221-H224 WeakPolarHBondContact O-CB 3.5Å; V221-H224 PolarHBondContact O-N 3.15Å; V221-E225 HydrophobicContact CG1-CG 4.24Å; V221-E225 WeakPolarHBondContact O-CG 3.38Å; V221-E225 PolarHBondContact O-N 2.69Å; V221-Y246 HydrophobicContact CG2-CD2 3.92Å; V221-Y246 HydrophobicContact CG2-CE2 3.97Å
222	A	97.3	Very high	89.3	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-43.1	178.7	0	0	0	0	0	112.3	L139 A142 F202 L218 H224 E225 F226	L139-A222 HydrophobicContact CD2-CB 3.57Å; A142-A222 HydrophobicContact CB-CB 3.79Å; F202-A222 HydrophobicContact CE1-CB 3.95Å; F202-A222 HydrophobicContact CZ-CB 3.75Å; L218-A222 WeakPolarHBondContact O-CB 3.41Å; L218-A222 PolarHBondContact O-N 2.98Å; A222-H224 VanDerWaalsContact C-N 3.28Å; A222-H224 PolarHBondContact O-N 3.29Å; A222-E225 PolarHBondContact O-N 2.77Å; A222-F226 HydrophobicContact CB-CE2 4.17Å; A222-F226 HydrophobicContact CB-CZ 4.15Å; A222-F226 WeakPolarHBondContact O-CB 3.38Å; A222-F226 WeakPolarHBondContact O-CD1 3.42Å; A222-F226 WeakPolarHBondContact O-CD2 3.44Å; A222-F226 WeakPolarHBondContact O-CG 3.45Å; A222-F226 PolarHBondContact O-N 3.49Å
223	A	96.5	Very high	91.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.1	-38	177.1	0	0	0	0	0	112.6	A142 V145 W146 L219 V221 G227 V241 L252	A142-A223 HydrophobicContact CB-CB 4.19Å; V145-A223 HydrophobicContact CG2-CB 4.27Å; W146-A223 WeakPolarHBondContact CZ2-O 3.39Å; W146-A223 PolarHBondContact NE1-O 2.92Å; L219-A223 VanDerWaalsContact O-CB 3.31Å; L219-A223 WeakPolarHBondContact O-CB 3.42Å; L219-A223 PolarHBondContact O-N 3.39Å; V221-A223 PolarHBondContact O-N 2.73Å; A223-G227 PolarHBondContact O-N 3.05Å; A223-V241 HydrophobicContact CB-CG1 4.13Å; A223-L252 HydrophobicContact CB-CD1 3.96Å; A223-L252 HydrophobicContact CB-CD2 3.35Å; A223-L252 HydrophobicContact CB-CG 4.23Å
224	H	97.1	Very high	92.9	Very high	13 Å²	13	10.9 Å²	10.9	6%	0.06	7%	0.066	C	C	.	.	H	α-helix	trans	-62.4	-55.2	173.3	-178.3	103.7	0	0	0	111.6	C79 Q220 V221 A222 F226 G227 H228 H234 V241 M242 C243	C79-H224 VanDerWaalsContact CB-NE2 3.31Å; C79-H224 WeakPolarHBondContact CB-NE2 3.45Å; Q220-H224 PolarHBondContact O-N 2.99Å; V221-H224 WeakPolarHBondContact O-CB 3.5Å; V221-H224 PolarHBondContact O-N 3.15Å; A222-H224 VanDerWaalsContact C-N 3.28Å; A222-H224 PolarHBondContact O-N 3.29Å; H224-F226 VanDerWaalsContact C-N 3.26Å; H224-F226 PolarHBondContact O-N 2.76Å; H224-G227 WeakPolarHBondContact O-CA 3.34Å; H224-G227 PolarHBondContact O-N 2.93Å; H224-H228 AromaticContact CD2-CD2 3.82Å; H224-H228 AromaticContact CD2-NE2 3.72Å; H224-H228 AromaticContact NE2-CD2 3.78Å; H224-H228 AromaticContact NE2-NE2 3.17Å; H224-H228 PolarHBondContact NE2-NE2 2.93Å; H224-H228 VanDerWaalsContact NE2-NE2 3.17Å; H224-H228 PolarHBondContact O-N 3.05Å; H224-H234 AromaticContact CE1-CD2 3.52Å; H224-H234 AromaticContact CE1-NE2 3.68Å; H224-H234 AromaticContact NE2-CD2 3.41Å; H224-H234 PolarHBondContact NE2-CD2 2.77Å; H224-H234 AromaticContact NE2-NE2 3.21Å; H224-H234 PolarHBondContact NE2-NE2 2.98Å; H224-V241 HydrophobicContact CB-CG1 4.32Å; H224-V241 PolarHBondContact ND1-O 2.76Å; H224-M242 VanDerWaalsContact O-SD 3.39Å; H224-C243 PolarHBondContact CE1-O 3.26Å; H224-C243 PolarHBondContact ND1-O 2.86Å
225	E	97.9	Very high	94	Very high	2 Å²	2	5.3 Å²	5.3	1%	0.009	3%	0.032	C	C	.	.	H	α-helix	trans	-62.7	-33.8	-178.2	-61.8	-46.7	140.3	0	0	112.5	C79 A187 H188 A189 V200 F202 V221 A222 G227 H228 V229	C79-E225 PolarHBondContact SG-OE1 3.18Å; A187-E225 HydrophobicContact CB-CG 3.55Å; H188-E225 WeakPolarHBondContact CA-OE2 3.48Å; A189-E225 HydrophobicContact CB-CB 4.07Å; A189-E225 WeakPolarHBondContact CB-O 3.32Å; A189-E225 PolarHBondContact N-OE2 3.43Å; A189-E225 VanDerWaalsContact N-OE2 3.07Å; V200-E225 HydrophobicContact CG1-CB 3.71Å; V200-E225 HydrophobicContact CG1-CG 4.27Å; F202-E225 HydrophobicContact CE1-CG 4.38Å; V221-E225 HydrophobicContact CG1-CG 4.24Å; V221-E225 WeakPolarHBondContact O-CG 3.38Å; V221-E225 PolarHBondContact O-N 2.69Å; A222-E225 PolarHBondContact O-N 2.77Å; E225-G227 VanDerWaalsContact C-N 3.27Å; E225-G227 PolarHBondContact O-N 2.99Å; E225-H228 WeakPolarHBondContact O-CB 3.22Å; E225-H228 PolarHBondContact O-N 3.01Å; E225-H228 VanDerWaalsContact O-N 3.09Å; E225-H228 IonicContact OE2-CD2 2.74Å; E225-V229 PolarHBondContact O-N 3.41Å
226	F	98.1	Very high	94.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.4	-31.3	174.8	-64.5	-11.2	0	0	0	112	L139 A142 F143 I166 V200 A222 H224 H228 V229 L230	L139-F226 HydrophobicContact CB-CZ 4.33Å; L139-F226 HydrophobicContact CD2-CE2 4.46Å; L139-F226 HydrophobicContact CD2-CZ 3.91Å; A142-F226 HydrophobicContact CB-CD2 3.73Å; A142-F226 HydrophobicContact CB-CE2 3.57Å; F143-F226 HydrophobicContact CD1-CB 4.34Å; F143-F226 AromaticContact CD1-CD2 3.5Å; F143-F226 HydrophobicContact CD1-CD2 3.5Å; F143-F226 AromaticContact CD1-CE2 3.89Å; F143-F226 HydrophobicContact CD1-CE2 3.89Å; F143-F226 AromaticContact CD1-CG 3.97Å; F143-F226 HydrophobicContact CD1-CG 3.97Å; F143-F226 HydrophobicContact CD2-CD2 4Å; F143-F226 AromaticContact CD2-CE2 3.48Å; F143-F226 HydrophobicContact CD2-CE2 3.48Å; F143-F226 VanDerWaalsContact CD2-CE2 3.48Å; F143-F226 HydrophobicContact CD2-CZ 4.02Å; F143-F226 HydrophobicContact CE1-CB 4.08Å; F143-F226 AromaticContact CE1-CD1 3.95Å; F143-F226 HydrophobicContact CE1-CD1 3.95Å; F143-F226 AromaticContact CE1-CD2 3.51Å; F143-F226 HydrophobicContact CE1-CD2 3.51Å; F143-F226 HydrophobicContact CE1-CE1 4.23Å; F143-F226 AromaticContact CE1-CE2 3.81Å; F143-F226 HydrophobicContact CE1-CE2 3.81Å; F143-F226 AromaticContact CE1-CG 3.57Å; F143-F226 HydrophobicContact CE1-CG 3.57Å; F143-F226 HydrophobicContact CE1-CZ 4.16Å; F143-F226 HydrophobicContact CE2-CD2 4.01Å; F143-F226 HydrophobicContact CE2-CE1 4.1Å; F143-F226 AromaticContact CE2-CE2 3.41Å; F143-F226 HydrophobicContact CE2-CE2 3.41Å; F143-F226 VanDerWaalsContact CE2-CE2 3.41Å; F143-F226 AromaticContact CE2-CZ 3.45Å; F143-F226 HydrophobicContact CE2-CZ 3.45Å; F143-F226 VanDerWaalsContact CE2-CZ 3.45Å; F143-F226 AromaticContact CG-CD2 3.75Å; F143-F226 HydrophobicContact CG-CD2 3.75Å; F143-F226 AromaticContact CG-CE2 3.72Å; F143-F226 HydrophobicContact CG-CE2 3.72Å; F143-F226 AromaticContact CZ-CD1 3.87Å; F143-F226 HydrophobicContact CZ-CD1 3.87Å; F143-F226 AromaticContact CZ-CD2 3.77Å; F143-F226 HydrophobicContact CZ-CD2 3.77Å; F143-F226 AromaticContact CZ-CE1 3.7Å; F143-F226 HydrophobicContact CZ-CE1 3.7Å; F143-F226 AromaticContact CZ-CE2 3.57Å; F143-F226 HydrophobicContact CZ-CE2 3.57Å; F143-F226 AromaticContact CZ-CG 3.91Å; F143-F226 HydrophobicContact CZ-CG 3.91Å; F143-F226 AromaticContact CZ-CZ 3.53Å; F143-F226 HydrophobicContact CZ-CZ 3.53Å; I166-F226 HydrophobicContact CD1-CE1 3.7Å; I166-F226 HydrophobicContact CD1-CZ 3.58Å; I166-F226 HydrophobicContact CG1-CE1 4.13Å; I166-F226 HydrophobicContact CG1-CZ 4.47Å; V200-F226 HydrophobicContact CG1-CE1 4.46Å; V200-F226 HydrophobicContact CG2-CD1 4.38Å; V200-F226 HydrophobicContact CG2-CE1 4.38Å; A222-F226 HydrophobicContact CB-CE2 4.17Å; A222-F226 HydrophobicContact CB-CZ 4.15Å; A222-F226 WeakPolarHBondContact O-CB 3.38Å; A222-F226 WeakPolarHBondContact O-CD1 3.42Å; A222-F226 WeakPolarHBondContact O-CD2 3.44Å; A222-F226 WeakPolarHBondContact O-CG 3.45Å; A222-F226 PolarHBondContact O-N 3.49Å; H224-F226 VanDerWaalsContact C-N 3.26Å; H224-F226 PolarHBondContact O-N 2.76Å; F226-H228 VanDerWaalsContact C-N 3.3Å; F226-H228 PolarHBondContact O-N 2.8Å; F226-V229 PolarHBondContact O-N 2.92Å; F226-L230 WeakPolarHBondContact O-CB 3.43Å; F226-L230 WeakPolarHBondContact O-CG 3.48Å; F226-L230 PolarHBondContact O-N 2.93Å
227	G	97	Very high	94.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.7	-40.5	169.7	0	0	0	0	0	112.3	A223 H224 E225 L230 G231 L232	A223-G227 PolarHBondContact O-N 3.05Å; H224-G227 WeakPolarHBondContact O-CA 3.34Å; H224-G227 PolarHBondContact O-N 2.93Å; E225-G227 VanDerWaalsContact C-N 3.27Å; E225-G227 PolarHBondContact O-N 2.99Å; G227-L230 CarbonylContact O-C 3.07Å; G227-L230 PolarHBondContact O-N 3.19Å; G227-G231 PolarHBondContact O-N 3.43Å; G227-G231 VanDerWaalsContact O-N 3.09Å; G227-L232 WeakPolarHBondContact O-CB 3.49Å; G227-L232 PolarHBondContact O-N 3.28Å
228	H	96.7	Very high	93.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.7	-47.3	173.5	-71.5	-45.3	0	0	0	112.9	C79 A189 F191 H224 E225 F226 L230 G231 L232 H234 M242	C79-H228 PolarHBondContact SG-NE2 3.42Å; A189-H228 HydrophobicContact CB-CB 3.72Å; F191-H228 WeakPolarHBondContact CD1-O 3.23Å; F191-H228 HydrophobicContact CE1-CB 4.4Å; F191-H228 AromaticContact CE1-ND1 3.77Å; F191-H228 HydrophobicContact CZ-CB 4.31Å; F191-H228 AromaticContact CZ-ND1 3.48Å; F191-H228 WeakPolarHBondContact CZ-ND1 3.34Å; H224-H228 AromaticContact CD2-CD2 3.82Å; H224-H228 AromaticContact CD2-NE2 3.72Å; H224-H228 AromaticContact NE2-CD2 3.78Å; H224-H228 AromaticContact NE2-NE2 3.17Å; H224-H228 PolarHBondContact NE2-NE2 2.93Å; H224-H228 VanDerWaalsContact NE2-NE2 3.17Å; H224-H228 PolarHBondContact O-N 3.05Å; E225-H228 WeakPolarHBondContact O-CB 3.22Å; E225-H228 PolarHBondContact O-N 3.01Å; E225-H228 VanDerWaalsContact O-N 3.09Å; E225-H228 IonicContact OE2-CD2 2.74Å; F226-H228 VanDerWaalsContact C-N 3.3Å; F226-H228 PolarHBondContact O-N 2.8Å; H228-L230 PolarHBondContact O-N 3.36Å; H228-G231 WeakPolarHBondContact O-CA 3.36Å; H228-G231 PolarHBondContact O-N 3.37Å; H228-L232 WeakPolarHBondContact CA-O 3.38Å; H228-L232 PolarHBondContact ND1-O 3.02Å; H228-H234 AromaticContact CE1-CD2 3.44Å; H228-H234 PolarHBondContact CE1-CD2 3.15Å; H228-H234 VanDerWaalsContact CE1-CD2 3.44Å; H228-H234 AromaticContact CE1-NE2 3.71Å; H228-H234 AromaticContact NE2-CD2 3.4Å; H228-H234 PolarHBondContact NE2-CD2 3.47Å; H228-H234 AromaticContact NE2-NE2 3.25Å; H228-H234 PolarHBondContact NE2-NE2 2.92Å; H228-M242 WeakPolarHBondContact CE1-CE 3.33Å; H228-M242 WeakPolarHBondContact ND1-CE 3.26Å
229	V	96.9	Very high	93.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-25.7	175.2	172.8	0	0	0	0	112.5	W114 I164 A189 P192 V200 E225 F226	W114-V229 HydrophobicContact CZ2-CG1 4.27Å; W114-V229 PolarHBondContact NE1-O 3.22Å; I164-V229 HydrophobicContact CB-CG1 4.45Å; I164-V229 HydrophobicContact CD1-CG1 3.62Å; I164-V229 HydrophobicContact CG1-CG1 3.65Å; I164-V229 HydrophobicContact CG2-CG1 4.03Å; A189-V229 HydrophobicContact CB-CG2 3.54Å; P192-V229 VanDerWaalsContact CD-O 3.28Å; P192-V229 WeakPolarHBondContact CD-O 3.32Å; P192-V229 WeakPolarHBondContact CG-O 3.14Å; V200-V229 HydrophobicContact CG2-CB 4.46Å; V200-V229 HydrophobicContact CG2-CG2 3.26Å; E225-V229 PolarHBondContact O-N 3.41Å; F226-V229 PolarHBondContact O-N 2.92Å
230	L	96.9	Very high	93.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.9	173.6	-65.9	175.3	0	0	0	113.3	L119 W146 L152 F154 F226 G227 H228 I262 L265 Y266	L119-L230 HydrophobicContact CD1-CD2 3.7Å; W146-L230 HydrophobicContact CB-CD1 3.7Å; W146-L230 HydrophobicContact CD2-CD1 4.13Å; W146-L230 HydrophobicContact CG-CD1 3.67Å; L152-L230 HydrophobicContact CD1-CD1 4.1Å; L152-L230 HydrophobicContact CD1-CD2 3.63Å; L152-L230 HydrophobicContact CD1-CG 4.42Å; F154-L230 HydrophobicContact CE1-CD2 4Å; F154-L230 HydrophobicContact CZ-CD1 3.98Å; F154-L230 HydrophobicContact CZ-CD2 3.99Å; F226-L230 WeakPolarHBondContact O-CB 3.43Å; F226-L230 WeakPolarHBondContact O-CG 3.48Å; F226-L230 PolarHBondContact O-N 2.93Å; G227-L230 CarbonylContact O-C 3.07Å; G227-L230 PolarHBondContact O-N 3.19Å; H228-L230 PolarHBondContact O-N 3.36Å; L230-I262 HydrophobicContact CB-CD1 3.69Å; L230-I262 HydrophobicContact CD1-CD1 3.99Å; L230-I262 HydrophobicContact CG-CD1 4.47Å; L230-L265 WeakPolarHBondContact O-CD1 3.19Å; L230-Y266 HydrophobicContact CB-CE2 4.15Å; L230-Y266 WeakPolarHBondContact O-CE2 3.17Å; L230-Y266 PolarHBondContact O-OH 2.81Å
231	G	94	Very high	93.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.9	2.6	172.5	0	0	0	0	0	115.6	G227 H228	G227-G231 PolarHBondContact O-N 3.43Å; G227-G231 VanDerWaalsContact O-N 3.09Å; H228-G231 WeakPolarHBondContact O-CA 3.36Å; H228-G231 PolarHBondContact O-N 3.37Å
232	L	94.6	Very high	93.5	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-79.8	139.9	177.5	-58.3	-179.6	0	0	0	111.5	L109 W146 F191 G227 H228 M242 G261 I262 L265	L109-L232 HydrophobicContact CD2-CD2 4.04Å; W146-L232 HydrophobicContact CE3-CD1 4.41Å; W146-L232 HydrophobicContact CH2-CD1 3.32Å; W146-L232 HydrophobicContact CZ2-CD1 4.22Å; W146-L232 HydrophobicContact CZ3-CD1 3.44Å; W146-L232 VanDerWaalsContact CZ3-CD1 3.44Å; F191-L232 VanDerWaalsContact CE1-O 3.24Å; F191-L232 WeakPolarHBondContact CE1-O 3.47Å; G227-L232 WeakPolarHBondContact O-CB 3.49Å; G227-L232 PolarHBondContact O-N 3.28Å; H228-L232 WeakPolarHBondContact CA-O 3.38Å; H228-L232 PolarHBondContact ND1-O 3.02Å; L232-M242 HydrophobicContact CB-CE 4.06Å; L232-M242 HydrophobicContact CB-CG 4.1Å; L232-M242 HydrophobicContact CB-SD 4.23Å; L232-M242 HydrophobicContact CD1-CG 3.96Å; L232-M242 HydrophobicContact CD1-SD 4.33Å; L232-G261 VanDerWaalsContact CD2-C 3.4Å; L232-I262 HydrophobicContact CD1-CB 4.15Å; L232-I262 HydrophobicContact CD1-CD1 4.03Å; L232-I262 HydrophobicContact CD2-CB 4.49Å; L232-I262 HydrophobicContact CD2-CD1 4.38Å; L232-I262 HydrophobicContact CG-CD1 4.07Å; L232-L265 HydrophobicContact CD2-CD1 3.93Å
233	Q	92.7	Very high	93.3	Very high	7 Å²	7	26.8 Å²	26.8	3%	0.033	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-96.3	166.1	171	-176	60.8	17.2	0	0	110.1	P82 A108 F110 S235	P82-Q233 PolarHBondContact O-NE2 2.86Å; A108-Q233 HydrophobicContact CB-CB 3.64Å; A108-Q233 HydrophobicContact CB-CG 3.81Å; A108-Q233 VanDerWaalsContact O-CB 3.28Å; A108-Q233 WeakPolarHBondContact O-CB 3.48Å; A108-Q233 PolarHBondContact O-N 3.42Å; F110-Q233 HydrophobicContact CB-CB 4.02Å; F110-Q233 HydrophobicContact CB-CG 4.08Å; Q233-S235 PolarHBondContact O-N 2.93Å
234	H	94.4	Very high	93.2	Very high	13 Å²	13	27.4 Å²	27.4	6%	0.06	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-47.3	132.5	172.2	-69.7	154.8	0	0	0	113.5	C79 V81 D83 H224 H228 M242 P244	C79-H234 WeakPolarHBondContact CB-NE2 3.41Å; C79-H234 PolarHBondContact SG-NE2 2.92Å; C79-H234 VanDerWaalsContact SG-NE2 3.39Å; V81-H234 PolarHBondContact O-CE1 3.39Å; D83-H234 IonicContact OD1-CE1 3.26Å; D83-H234 PolarHBondContact OD1-CE1 3.25Å; D83-H234 IonicContact OD1-CG 3.67Å; D83-H234 IonicContact OD1-ND1 3.67Å; D83-H234 PolarHBondContact OD1-ND1 3.3Å; H224-H234 AromaticContact CE1-CD2 3.52Å; H224-H234 AromaticContact CE1-NE2 3.68Å; H224-H234 AromaticContact NE2-CD2 3.41Å; H224-H234 PolarHBondContact NE2-CD2 2.77Å; H224-H234 AromaticContact NE2-NE2 3.21Å; H224-H234 PolarHBondContact NE2-NE2 2.98Å; H228-H234 AromaticContact CE1-CD2 3.44Å; H228-H234 PolarHBondContact CE1-CD2 3.15Å; H228-H234 VanDerWaalsContact CE1-CD2 3.44Å; H228-H234 AromaticContact CE1-NE2 3.71Å; H228-H234 AromaticContact NE2-CD2 3.4Å; H228-H234 PolarHBondContact NE2-CD2 3.47Å; H228-H234 AromaticContact NE2-NE2 3.25Å; H228-H234 PolarHBondContact NE2-NE2 2.92Å; H234-M242 CarbonylContact C-O 3.56Å; H234-M242 WeakPolarHBondContact CA-O 3.11Å; H234-P244 HydrophobicContact CB-CB 4.43Å; H234-P244 HydrophobicContact CB-CG 4.49Å
235	S	91.2	Very high	92.9	Very high	6 Å²	6	28 Å²	28	4%	0.042	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-89	152.9	171.7	-172	0	0	0	0	110.7	Q233 E237 M242 P244 D257	Q233-S235 PolarHBondContact O-N 2.93Å; S235-E237 VanDerWaalsContact C-N 3.35Å; S235-E237 PolarHBondContact OG-N 2.87Å; S235-M242 PolarHBondContact N-O 3.38Å; S235-P244 WeakPolarHBondContact O-CD 3.16Å; S235-D257 WeakPolarHBondContact CB-OD2 3.34Å; S235-D257 PolarHBondContact OG-OD2 3.23Å
236	L	87.6	Confident	92.3	Very high	174 Å²	174	30 Å²	30	91%	0.911	16%	0.159	S	C	*	.	S	Bend	trans	-88.8	-6.8	171.2	-63.1	176.9	0	0	0	112.3	P238	L236-P238 WeakPolarHBondContact O-CD 3.39Å
237	E	86.4	Confident	91.4	Very high	97 Å²	97	32.1 Å²	32.1	45%	0.453	17%	0.173	S	C	.	.			trans	-77.3	119.2	177.8	-172.5	63.9	-119	0	0	109.7	S235 D239 A240	S235-E237 VanDerWaalsContact C-N 3.35Å; S235-E237 PolarHBondContact OG-N 2.87Å; E237-D239 PolarHBondContact O-N 3.1Å; E237-A240 HydrophobicContact CB-CB 3.92Å; E237-A240 HydrophobicContact CG-CB 4.39Å; E237-A240 WeakPolarHBondContact O-CB 3.05Å; E237-A240 PolarHBondContact O-N 2.8Å; E237-A240 VanDerWaalsContact O-N 3.11Å
238	P	84.3	Confident	90.1	Very high	81 Å²	81	34.1 Å²	34.1	53%	0.526	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.2	-175.3	-26	36	0	0	0	114.6	L236	L236-P238 WeakPolarHBondContact O-CD 3.39Å
239	D	83	Confident	88.7	Confident	136 Å²	136	36.7 Å²	36.7	73%	0.727	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	1.7	-178.3	-61.5	-24.8	0	0	0	112.8	E237	E237-D239 PolarHBondContact O-N 3.1Å
240	A	91.3	Very high	87.1	Confident	2 Å²	2	37 Å²	37	2%	0.017	20%	0.203	C	C	.	.	S	Bend	trans	-76.3	142.5	175.6	0	0	0	0	0	111.3	E237 M242 C243 S255 D258	E237-A240 HydrophobicContact CB-CB 3.92Å; E237-A240 HydrophobicContact CG-CB 4.39Å; E237-A240 WeakPolarHBondContact O-CB 3.05Å; E237-A240 PolarHBondContact O-N 2.8Å; E237-A240 VanDerWaalsContact O-N 3.11Å; A240-M242 PolarHBondContact O-N 2.81Å; A240-C243 WeakPolarHBondContact O-CB 3.15Å; A240-C243 PolarHBondContact O-N 3Å; A240-S255 WeakPolarHBondContact CA-OG 3.48Å; A240-S255 WeakPolarHBondContact CB-OG 3.31Å; A240-D258 WeakPolarHBondContact CA-OD2 3.24Å
241	V	94.3	Very high	85.7	Confident	6 Å²	6	37.5 Å²	37.5	4%	0.036	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.7	171.5	169.3	0	0	0	0	109.7	W146 A223 H224 C243 L252 K253 L254 D258	W146-V241 HydrophobicContact CZ2-CG1 4.28Å; A223-V241 HydrophobicContact CB-CG1 4.13Å; H224-V241 HydrophobicContact CB-CG1 4.32Å; H224-V241 PolarHBondContact ND1-O 2.76Å; V241-C243 PolarHBondContact O-N 2.79Å; V241-L252 HydrophobicContact CG2-CD1 3.9Å; V241-K253 WeakPolarHBondContact CG2-O 3.32Å; V241-L254 HydrophobicContact CB-CD2 4.16Å; V241-L254 HydrophobicContact CG2-CD2 3.98Å; V241-D258 PolarHBondContact N-OD1 2.97Å; V241-D258 PolarHBondContact N-OD2 3.25Å
242	M	94.9	Very high	85.1	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.015	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	10.4	175.1	-61.4	-51.4	-58	0	0	114.7	W146 H224 H228 L232 H234 S235 A240 D258	W146-M242 HydrophobicContact CH2-CG 4.22Å; W146-M242 HydrophobicContact CH2-SD 4.21Å; W146-M242 HydrophobicContact CZ2-SD 4.05Å; H224-M242 VanDerWaalsContact O-SD 3.39Å; H228-M242 WeakPolarHBondContact CE1-CE 3.33Å; H228-M242 WeakPolarHBondContact ND1-CE 3.26Å; L232-M242 HydrophobicContact CB-CE 4.06Å; L232-M242 HydrophobicContact CB-CG 4.1Å; L232-M242 HydrophobicContact CB-SD 4.23Å; L232-M242 HydrophobicContact CD1-CG 3.96Å; L232-M242 HydrophobicContact CD1-SD 4.33Å; H234-M242 CarbonylContact C-O 3.56Å; H234-M242 WeakPolarHBondContact CA-O 3.11Å; S235-M242 PolarHBondContact N-O 3.38Å; A240-M242 PolarHBondContact O-N 2.81Å; M242-D258 WeakPolarHBondContact CB-OD1 3.36Å; M242-D258 VanDerWaalsContact CG-OD1 3.29Å; M242-D258 WeakPolarHBondContact CG-OD1 3.42Å; M242-D258 PolarHBondContact N-OD1 3.15Å; M242-D258 VanDerWaalsContact N-OD1 3.09Å
243	C	93.6	Very high	84.5	Confident	18 Å²	18	42 Å²	42	12%	0.122	23%	0.226	C	C	.	.			trans	-64.7	131.4	171.1	-177.9	0	0	0	0	109.9	H224 A240 V241 F245	H224-C243 PolarHBondContact CE1-O 3.26Å; H224-C243 PolarHBondContact ND1-O 2.86Å; A240-C243 WeakPolarHBondContact O-CB 3.15Å; A240-C243 PolarHBondContact O-N 3Å; V241-C243 PolarHBondContact O-N 2.79Å; C243-F245 PolarHBondContact O-N 3.39Å
244	P	93.4	Very high	84.3	Confident	14 Å²	14	43.2 Å²	43.2	9%	0.091	23%	0.233	C	C	.	.	S	Bend	trans	-64.4	-26.8	-172.9	21	-31.5	0	0	0	114.1	R78 C79 H234 S235	R78-P244 CarbonylContact C-O 3.45Å; R78-P244 VanDerWaalsContact CA-O 3.24Å; R78-P244 WeakPolarHBondContact CA-O 3.48Å; R78-P244 WeakPolarHBondContact CB-O 3.44Å; C79-P244 PolarHBondContact N-O 3.39Å; H234-P244 HydrophobicContact CB-CB 4.43Å; H234-P244 HydrophobicContact CB-CG 4.49Å; S235-P244 WeakPolarHBondContact O-CD 3.16Å
245	F	90.8	Very high	84.2	Confident	25 Å²	25	43.6 Å²	43.6	11%	0.11	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-92.2	136.7	-177	-63.2	-78.2	0	0	0	110.4	F73 R76 R78 C243 S247	F73-F245 HydrophobicContact CD1-CZ 4.31Å; F73-F245 HydrophobicContact CE1-CE1 4.19Å; F73-F245 HydrophobicContact CE1-CE2 4.11Å; F73-F245 AromaticContact CE1-CZ 3.44Å; F73-F245 HydrophobicContact CE1-CZ 3.44Å; F73-F245 VanDerWaalsContact CE1-CZ 3.44Å; F73-F245 HydrophobicContact CE2-CE1 4.47Å; F73-F245 AromaticContact CE2-CE2 3.93Å; F73-F245 HydrophobicContact CE2-CE2 3.93Å; F73-F245 AromaticContact CE2-CZ 3.88Å; F73-F245 HydrophobicContact CE2-CZ 3.88Å; F73-F245 HydrophobicContact CZ-CD2 4.41Å; F73-F245 HydrophobicContact CZ-CE1 4.09Å; F73-F245 AromaticContact CZ-CE2 3.39Å; F73-F245 HydrophobicContact CZ-CE2 3.39Å; F73-F245 AromaticContact CZ-CZ 3.19Å; F73-F245 HydrophobicContact CZ-CZ 3.19Å; R76-F245 HydrophobicContact CB-CD1 4Å; R78-F245 HydrophobicContact CB-CD1 4.07Å; C243-F245 PolarHBondContact O-N 3.39Å; F245-S247 PolarHBondContact O-N 2.89Å
246	Y	86.3	Confident	84	Confident	45 Å²	45	48.3 Å²	48.3	18%	0.176	26%	0.259	C	S	.	.			trans	-58	130.8	177.1	179	-105.3	0	0	0	111.3	R76 P77 L186 T216 D217 Q220 V221	R76-Y246 PolarHBondContact NH2-O 2.95Å; P77-Y246 VanDerWaalsContact O-CB 3.26Å; P77-Y246 WeakPolarHBondContact O-CB 3.18Å; P77-Y246 PolarHBondContact O-N 3.17Å; L186-Y246 HydrophobicContact CD1-CD2 3.63Å; L186-Y246 HydrophobicContact CD1-CE2 4.47Å; L186-Y246 HydrophobicContact CD1-CG 3.75Å; T216-Y246 HydrophobicContact CG2-CE2 4.12Å; D217-Y246 HydrophobicContact CB-CE2 4.44Å; D217-Y246 VanDerWaalsContact CB-OH 3.29Å; D217-Y246 WeakPolarHBondContact CB-OH 3.43Å; D217-Y246 PolarHBondContact N-OH 3.47Å; Q220-Y246 HydrophobicContact CB-CE2 4.47Å; Q220-Y246 HydrophobicContact CG-CE2 4.35Å; V221-Y246 HydrophobicContact CG2-CD2 3.92Å; V221-Y246 HydrophobicContact CG2-CE2 3.97Å
247	S	80.1	Confident	84.2	Confident	43 Å²	43	40.6 Å²	40.6	30%	0.301	22%	0.218	S	C	.	.			trans	-143.7	126.4	167.3	68.4	0	0	0	0	108.6	Q220 F245	Q220-S247 WeakPolarHBondContact CG-O 3.34Å; F245-S247 PolarHBondContact O-N 2.89Å
248	D	68.2	Low	84.6	Confident	43 Å²	43	36.1 Å²	36.1	23%	0.23	20%	0.198	C	C	.	.			trans	-75	122.4	172	54.5	-18.7	0	0	0	110.8	R316	D248-R316 VanDerWaalsContact CG-NH2 3.34Å; D248-R316 PolarHBondContact O-NH1 3.02Å; D248-R316 IonicContact OD1-CZ 2.83Å; D248-R316 IonicContact OD1-NH1 3.94Å; D248-R316 PolarHBondContact OD1-NH1 2.87Å; D248-R316 IonicContact OD1-NH2 3.15Å; D248-R316 PolarHBondContact OD1-NH2 2.94Å; D248-R316 IonicContact OD2-CZ 3.78Å; D248-R316 IonicContact OD2-NH1 3.46Å; D248-R316 IonicContact OD2-NH2 3.64Å; D248-R316 PolarHBondContact OD2-NH2 2.77Å
249	S	67	Low	85.1	Confident	53 Å²	53	37.1 Å²	37.1	37%	0.371	19%	0.191	S	C	.	.			trans	-136.4	117	174.9	-171.9	0	0	0	0	111	P251 L252	S249-P251 CarbonylContact O-C 3.59Å; S249-L252 PolarHBondContact O-N 3.01Å
250	Y	63.4	Low	85.5	Confident	7 Å²	7	34.9 Å²	34.9	3%	0.027	17%	0.172	C	C	.	.	S	Bend	trans	-121.6	123.4	176.7	-170.1	-100.5	0	0	0	113.2	R301 F305 R314 H331 W332 A363 G364	Y250-R301 VanDerWaalsContact CE2-CZ 3.45Å; Y250-F305 HydrophobicContact CD1-CZ 4.25Å; Y250-R314 WeakPolarHBondContact O-CD 3.11Å; Y250-R314 PolarHBondContact O-NE 3.28Å; Y250-R314 PolarHBondContact O-NH1 2.82Å; Y250-R314 PolarHBondContact O-NH2 3.06Å; Y250-H331 AromaticContact CE1-ND1 3.83Å; Y250-H331 PolarHBondContact OH-O 3.23Å; Y250-W332 HydrophobicContact CE1-CZ2 4.37Å; Y250-A363 PolarHBondContact OH-O 3.34Å; Y250-G364 PolarHBondContact OH-N 3.11Å
251	P	68.9	Low	85.7	Confident	11 Å²	11	34.8 Å²	34.8	7%	0.071	17%	0.172	C	C	.	.	S	Bend	cis	-77.2	153.1	6.8	28.7	-12.6	0	0	0	108.9	S249 K253 H331	S249-P251 CarbonylContact O-C 3.59Å; P251-K253 HydrophobicContact CG-CG 4.43Å; P251-K253 PolarHBondContact O-N 2.86Å; P251-H331 WeakPolarHBondContact CD-CE1 3.36Å; P251-H331 VanDerWaalsContact CG-CE1 3.45Å; P251-H331 WeakPolarHBondContact CG-CE1 3.34Å; P251-H331 WeakPolarHBondContact CG-ND1 3.45Å
252	L	80.6	Confident	85.8	Confident	13 Å²	13	34.5 Å²	34.5	7%	0.068	17%	0.17	C	C	.	.			trans	-58.4	123.7	173.3	177.6	67.9	0	0	0	108.6	V145 L219 A223 V241 S249	V145-L252 HydrophobicContact CB-CD2 4.36Å; V145-L252 HydrophobicContact CG1-CD2 3.65Å; V145-L252 HydrophobicContact CG1-CG 4.02Å; V145-L252 HydrophobicContact CG2-CD2 3.8Å; L219-L252 HydrophobicContact CD1-CD2 3.87Å; L219-L252 HydrophobicContact CD2-CB 4.17Å; L219-L252 HydrophobicContact CG-CB 4.36Å; L219-L252 HydrophobicContact CG-CD2 3.92Å; A223-L252 HydrophobicContact CB-CD1 3.96Å; A223-L252 HydrophobicContact CB-CD2 3.35Å; A223-L252 HydrophobicContact CB-CG 4.23Å; V241-L252 HydrophobicContact CG2-CD1 3.9Å; S249-L252 PolarHBondContact O-N 3.01Å
253	K	81.6	Confident	85.8	Confident	84 Å²	84	36.8 Å²	36.8	37%	0.365	18%	0.181	S	C	.	.			trans	-136.8	132.9	178.4	-68.5	-175.6	-162.1	163.7	0	110.6	V241 P251	V241-K253 WeakPolarHBondContact CG2-O 3.32Å; P251-K253 HydrophobicContact CG-CG 4.43Å; P251-K253 PolarHBondContact O-N 2.86Å
254	L	90.1	Very high	85.8	Confident	34 Å²	34	42.5 Å²	42.5	18%	0.178	20%	0.201	C	C	.	.			trans	-69.3	132.8	170.2	-61.5	-177.7	0	0	0	109.9	V145 W146 V149 V241 D258	V145-L254 HydrophobicContact CB-CG 4.37Å; V145-L254 HydrophobicContact CG2-CD2 4.32Å; V145-L254 VanDerWaalsContact O-CD1 3.3Å; V145-L254 WeakPolarHBondContact O-CD1 3.42Å; W146-L254 HydrophobicContact CD2-CD1 4.26Å; W146-L254 HydrophobicContact CD2-CD2 4.22Å; W146-L254 HydrophobicContact CE3-CD1 3.67Å; W146-L254 HydrophobicContact CE3-CD2 4.03Å; W146-L254 HydrophobicContact CH2-CD2 3.63Å; W146-L254 HydrophobicContact CZ2-CD2 3.82Å; W146-L254 HydrophobicContact CZ3-CD1 3.85Å; W146-L254 HydrophobicContact CZ3-CD2 3.74Å; W146-L254 HydrophobicContact CZ3-CG 4.44Å; V149-L254 HydrophobicContact CG1-CD1 4.33Å; V149-L254 HydrophobicContact CG2-CD1 3.52Å; V241-L254 HydrophobicContact CB-CD2 4.16Å; V241-L254 HydrophobicContact CG2-CD2 3.98Å; L254-D258 HydrophobicContact CB-CB 4.06Å; L254-D258 HydrophobicContact CD2-CB 4.13Å
255	S	90.6	Very high	85.8	Confident	21 Å²	21	42.9 Å²	42.9	15%	0.147	20%	0.202	C	C	.	.			trans	-70.3	167	169.6	72.3	0	0	0	0	110.9	A240 D257 D258 R259	A240-S255 WeakPolarHBondContact CA-OG 3.48Å; A240-S255 WeakPolarHBondContact CB-OG 3.31Å; S255-D257 PolarHBondContact O-N 3.39Å; S255-D257 PolarHBondContact OG-N 3.17Å; S255-D258 VanDerWaalsContact CB-OD2 3.3Å; S255-D258 WeakPolarHBondContact CB-OD2 3.28Å; S255-D258 PolarHBondContact N-OD2 3.4Å; S255-D258 PolarHBondContact O-N 2.87Å; S255-D258 PolarHBondContact OG-N 3.4Å; S255-D258 VanDerWaalsContact OG-N 3.13Å; S255-D258 PolarHBondContact OG-OD2 3.17Å; S255-R259 WeakPolarHBondContact O-CB 3.45Å; S255-R259 PolarHBondContact O-N 3.49Å
256	E	88.5	Confident	86	Confident	105 Å²	105	42.7 Å²	42.7	49%	0.491	20%	0.2	S	C	.	.	H	α-helix	trans	-63.7	-22	170.5	-74.6	-60.4	153.2	0	0	112.9	R259 R260	E256-R259 VanDerWaalsContact CD-NH2 3.26Å; E256-R259 IonicContact OE1-CZ 3.78Å; E256-R259 IonicContact OE1-NE 3.37Å; E256-R259 PolarHBondContact OE1-NE 2.81Å; E256-R259 IonicContact OE1-NH2 3.64Å; E256-R259 PolarHBondContact OE1-NH2 3.2Å; E256-R259 IonicContact OE2-CZ 2.76Å; E256-R259 VanDerWaalsContact OE2-CZ 3.29Å; E256-R259 IonicContact OE2-NE 3.51Å; E256-R259 PolarHBondContact OE2-NE 2.93Å; E256-R259 IonicContact OE2-NH2 3.31Å; E256-R259 PolarHBondContact OE2-NH2 3.3Å; E256-R260 WeakPolarHBondContact O-CB 3.23Å; E256-R260 WeakPolarHBondContact O-CG 3.23Å; E256-R260 PolarHBondContact O-N 2.9Å; E256-R260 PolarHBondContact O-NE 2.75Å
257	D	90.7	Very high	86.4	Confident	12 Å²	12	41.6 Å²	41.6	6%	0.064	20%	0.202	C	C	.	.	H	α-helix	trans	-73.4	-45.7	173.4	-159.9	60.7	0	0	0	111.4	S235 S255 R259 R260 G261	S235-D257 WeakPolarHBondContact CB-OD2 3.34Å; S235-D257 PolarHBondContact OG-OD2 3.23Å; S255-D257 PolarHBondContact O-N 3.39Å; S255-D257 PolarHBondContact OG-N 3.17Å; D257-R259 PolarHBondContact O-N 3.44Å; D257-R260 PolarHBondContact O-N 2.83Å; D257-R260 IonicContact OD1-CZ 3.95Å; D257-R260 IonicContact OD1-NH2 2.82Å; D257-R260 PolarHBondContact OD1-NH2 2.75Å; D257-G261 PolarHBondContact O-N 3.01Å
258	D	95.4	Very high	87	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-48.4	174.8	-56.4	-52.6	0	0	0	111	W146 A240 V241 M242 L254 S255 R260 G261 I262	W146-D258 HydrophobicContact CH2-CB 4.01Å; W146-D258 HydrophobicContact CZ3-CB 4.16Å; A240-D258 WeakPolarHBondContact CA-OD2 3.24Å; V241-D258 PolarHBondContact N-OD1 2.97Å; V241-D258 PolarHBondContact N-OD2 3.25Å; M242-D258 WeakPolarHBondContact CB-OD1 3.36Å; M242-D258 VanDerWaalsContact CG-OD1 3.29Å; M242-D258 WeakPolarHBondContact CG-OD1 3.42Å; M242-D258 PolarHBondContact N-OD1 3.15Å; M242-D258 VanDerWaalsContact N-OD1 3.09Å; L254-D258 HydrophobicContact CB-CB 4.06Å; L254-D258 HydrophobicContact CD2-CB 4.13Å; S255-D258 VanDerWaalsContact CB-OD2 3.3Å; S255-D258 WeakPolarHBondContact CB-OD2 3.28Å; S255-D258 PolarHBondContact N-OD2 3.4Å; S255-D258 PolarHBondContact O-N 2.87Å; S255-D258 PolarHBondContact OG-N 3.4Å; S255-D258 VanDerWaalsContact OG-N 3.13Å; S255-D258 PolarHBondContact OG-OD2 3.17Å; D258-R260 PolarHBondContact O-N 3.3Å; D258-G261 PolarHBondContact O-N 3.32Å; D258-I262 WeakPolarHBondContact O-CG2 3.21Å; D258-I262 PolarHBondContact O-N 3.32Å
259	R	94.7	Very high	88.1	Confident	101 Å²	101	43 Å²	43	38%	0.381	21%	0.213	S	C	.	.	H	α-helix	trans	-60.2	-45.2	-179.7	-171.1	173.1	74.4	145.7	-0.7	111.8	V149 S255 E256 D257 I262 Q263	V149-R259 HydrophobicContact CB-CG 4.39Å; S255-R259 WeakPolarHBondContact O-CB 3.45Å; S255-R259 PolarHBondContact O-N 3.49Å; E256-R259 VanDerWaalsContact CD-NH2 3.26Å; E256-R259 IonicContact OE1-CZ 3.78Å; E256-R259 IonicContact OE1-NE 3.37Å; E256-R259 PolarHBondContact OE1-NE 2.81Å; E256-R259 IonicContact OE1-NH2 3.64Å; E256-R259 PolarHBondContact OE1-NH2 3.2Å; E256-R259 IonicContact OE2-CZ 2.76Å; E256-R259 VanDerWaalsContact OE2-CZ 3.29Å; E256-R259 IonicContact OE2-NE 3.51Å; E256-R259 PolarHBondContact OE2-NE 2.93Å; E256-R259 IonicContact OE2-NH2 3.31Å; E256-R259 PolarHBondContact OE2-NH2 3.3Å; D257-R259 PolarHBondContact O-N 3.44Å; R259-I262 WeakPolarHBondContact O-CG2 3.3Å; R259-Q263 HydrophobicContact CG-CG 4.42Å; R259-Q263 VanDerWaalsContact O-CB 3.26Å; R259-Q263 WeakPolarHBondContact O-CB 3.4Å; R259-Q263 VanDerWaalsContact O-CG 3.22Å; R259-Q263 WeakPolarHBondContact O-CG 3.43Å; R259-Q263 PolarHBondContact O-N 2.9Å
260	R	92.1	Very high	88.7	Confident	89 Å²	89	49.9 Å²	49.9	34%	0.336	23%	0.231	S	C	.	.	H	α-helix	trans	-66.9	-39.3	177.6	-73.3	178.8	-59.7	140.8	7.6	111.9	F107 E256 D257 D258 Y264	F107-R260 HydrophobicContact CD1-CB 4.38Å; E256-R260 WeakPolarHBondContact O-CB 3.23Å; E256-R260 WeakPolarHBondContact O-CG 3.23Å; E256-R260 PolarHBondContact O-N 2.9Å; E256-R260 PolarHBondContact O-NE 2.75Å; D257-R260 PolarHBondContact O-N 2.83Å; D257-R260 IonicContact OD1-CZ 3.95Å; D257-R260 IonicContact OD1-NH2 2.82Å; D257-R260 PolarHBondContact OD1-NH2 2.75Å; D258-R260 PolarHBondContact O-N 3.3Å; R260-Y264 VanDerWaalsContact O-CB 3.25Å; R260-Y264 WeakPolarHBondContact O-CB 3.37Å; R260-Y264 PolarHBondContact O-N 3.18Å
261	G	93.9	Very high	88.7	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-51.3	177	0	0	0	0	0	111.9	L232 D257 D258 Y264 L265	L232-G261 VanDerWaalsContact CD2-C 3.4Å; D257-G261 PolarHBondContact O-N 3.01Å; D258-G261 PolarHBondContact O-N 3.32Å; G261-Y264 WeakPolarHBondContact O-CB 3.48Å; G261-Y264 PolarHBondContact O-N 2.63Å; G261-L265 PolarHBondContact O-N 2.79Å
262	I	96.4	Very high	87.9	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-71.3	-38.9	-175.4	-160.4	70.9	0	0	0	112.2	W146 V149 T150 L230 L232 D258 R259 Y264 L265 Y266	W146-I262 HydrophobicContact CE3-CB 3.93Å; W146-I262 HydrophobicContact CE3-CD1 4.1Å; W146-I262 HydrophobicContact CE3-CG1 3.8Å; W146-I262 HydrophobicContact CE3-CG2 4.04Å; W146-I262 HydrophobicContact CZ3-CB 3.85Å; W146-I262 HydrophobicContact CZ3-CD1 4.38Å; W146-I262 HydrophobicContact CZ3-CG1 4.17Å; W146-I262 HydrophobicContact CZ3-CG2 4.06Å; V149-I262 HydrophobicContact CG2-CG2 3.75Å; T150-I262 HydrophobicContact CG2-CB 4.24Å; T150-I262 HydrophobicContact CG2-CG1 3.51Å; T150-I262 HydrophobicContact CG2-CG2 3.79Å; L230-I262 HydrophobicContact CB-CD1 3.69Å; L230-I262 HydrophobicContact CD1-CD1 3.99Å; L230-I262 HydrophobicContact CG-CD1 4.47Å; L232-I262 HydrophobicContact CD1-CB 4.15Å; L232-I262 HydrophobicContact CD1-CD1 4.03Å; L232-I262 HydrophobicContact CD2-CB 4.49Å; L232-I262 HydrophobicContact CD2-CD1 4.38Å; L232-I262 HydrophobicContact CG-CD1 4.07Å; D258-I262 WeakPolarHBondContact O-CG2 3.21Å; D258-I262 PolarHBondContact O-N 3.32Å; R259-I262 WeakPolarHBondContact O-CG2 3.3Å; I262-Y264 VanDerWaalsContact C-N 3.27Å; I262-Y264 PolarHBondContact O-N 2.93Å; I262-L265 WeakPolarHBondContact O-CB 3.39Å; I262-L265 PolarHBondContact O-N 2.9Å; I262-Y266 HydrophobicContact CD1-CD2 3.73Å; I262-Y266 HydrophobicContact CD1-CE2 3.72Å; I262-Y266 HydrophobicContact CG1-CD2 3.99Å; I262-Y266 HydrophobicContact CG1-CE2 4.47Å; I262-Y266 PolarHBondContact O-N 3.35Å
263	Q	95.5	Very high	86.4	Confident	51 Å²	51	69 Å²	69	24%	0.238	33%	0.329	C	S	.	.	H	α-helix	trans	-70.9	-25.1	177	-69.5	-178.8	-12.2	0	0	112.3	V149 R259 L265 G267	V149-Q263 WeakPolarHBondContact O-CG 3.08Å; V149-Q263 PolarHBondContact O-NE2 2.94Å; R259-Q263 HydrophobicContact CG-CG 4.42Å; R259-Q263 VanDerWaalsContact O-CB 3.26Å; R259-Q263 WeakPolarHBondContact O-CB 3.4Å; R259-Q263 VanDerWaalsContact O-CG 3.22Å; R259-Q263 WeakPolarHBondContact O-CG 3.43Å; R259-Q263 PolarHBondContact O-N 2.9Å; Q263-L265 PolarHBondContact O-N 3.3Å; Q263-G267 WeakPolarHBondContact O-CA 3.34Å; Q263-G267 PolarHBondContact O-N 3.34Å
264	Y	94	Very high	84.5	Confident	138 Å²	138	70 Å²	70	54%	0.541	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-33.2	169.3	179.7	-87.8	0	0	0	111.8	F107 L109 R260 G261 I262	F107-Y264 AromaticContact CE2-CD1 3.82Å; F107-Y264 HydrophobicContact CE2-CD1 3.82Å; F107-Y264 HydrophobicContact CE2-CD2 4.24Å; F107-Y264 HydrophobicContact CE2-CE1 4.43Å; F107-Y264 AromaticContact CE2-CG 3.7Å; F107-Y264 HydrophobicContact CE2-CG 3.7Å; F107-Y264 HydrophobicContact CZ-CD1 4.12Å; F107-Y264 AromaticContact CZ-CD2 3.68Å; F107-Y264 HydrophobicContact CZ-CD2 3.68Å; F107-Y264 HydrophobicContact CZ-CE2 4.31Å; F107-Y264 AromaticContact CZ-CG 3.55Å; F107-Y264 HydrophobicContact CZ-CG 3.55Å; L109-Y264 HydrophobicContact CD1-CD1 3.63Å; L109-Y264 HydrophobicContact CD1-CE1 3.58Å; R260-Y264 VanDerWaalsContact O-CB 3.25Å; R260-Y264 WeakPolarHBondContact O-CB 3.37Å; R260-Y264 PolarHBondContact O-N 3.18Å; G261-Y264 WeakPolarHBondContact O-CB 3.48Å; G261-Y264 PolarHBondContact O-N 2.63Å; I262-Y264 VanDerWaalsContact C-N 3.27Å; I262-Y264 PolarHBondContact O-N 2.93Å
265	L	93.6	Very high	82.4	Confident	22 Å²	22	74.8 Å²	74.8	12%	0.115	37%	0.37	C	S	.	.	H	α-helix	trans	-81.3	-44.6	178.4	-65.7	178	0	0	0	112.9	L109 R113 L230 L232 G261 I262 Q263	L109-L265 HydrophobicContact CD1-CD2 3.97Å; L109-L265 HydrophobicContact CD2-CD1 3.96Å; L109-L265 HydrophobicContact CD2-CD2 3.97Å; L109-L265 HydrophobicContact CD2-CG 4.01Å; R113-L265 HydrophobicContact CB-CB 4.39Å; R113-L265 HydrophobicContact CB-CD2 4.4Å; R113-L265 WeakPolarHBondContact CD-O 3.23Å; L230-L265 WeakPolarHBondContact O-CD1 3.19Å; L232-L265 HydrophobicContact CD2-CD1 3.93Å; G261-L265 PolarHBondContact O-N 2.79Å; I262-L265 WeakPolarHBondContact O-CB 3.39Å; I262-L265 PolarHBondContact O-N 2.9Å; Q263-L265 PolarHBondContact O-N 3.3Å
266	Y	95.4	Very high	80	Confident	21 Å²	21	80 Å²	80	8%	0.082	39%	0.394	C	S	.	.	H	α-helix	trans	-117.6	-8.6	-167.9	-60.1	-75.7	0	0	0	114.8	R113 W114 P151 L152 L230 I262	R113-Y266 HydrophobicContact CB-CE1 3.87Å; W114-Y266 HydrophobicContact CB-CE1 4.2Å; W114-Y266 PolarHBondContact N-OH 3.23Å; W114-Y266 VanDerWaalsContact N-OH 3.07Å; P151-Y266 WeakPolarHBondContact CD-O 3.1Å; P151-Y266 WeakPolarHBondContact CG-O 3.25Å; L152-Y266 HydrophobicContact CD1-CD1 4.19Å; L152-Y266 HydrophobicContact CD1-CD2 3.81Å; L152-Y266 HydrophobicContact CD1-CE1 4.35Å; L152-Y266 HydrophobicContact CD1-CE2 3.99Å; L152-Y266 HydrophobicContact CD1-CG 3.91Å; L152-Y266 HydrophobicContact CD2-CD1 3.66Å; L152-Y266 HydrophobicContact CD2-CE1 3.94Å; L152-Y266 HydrophobicContact CD2-CG 4.08Å; L152-Y266 HydrophobicContact CG-CD1 4.17Å; L152-Y266 HydrophobicContact CG-CD2 4.47Å; L152-Y266 HydrophobicContact CG-CG 4.08Å; L230-Y266 HydrophobicContact CB-CE2 4.15Å; L230-Y266 WeakPolarHBondContact O-CE2 3.17Å; L230-Y266 PolarHBondContact O-OH 2.81Å; I262-Y266 HydrophobicContact CD1-CD2 3.73Å; I262-Y266 HydrophobicContact CD1-CE2 3.72Å; I262-Y266 HydrophobicContact CG1-CD2 3.99Å; I262-Y266 HydrophobicContact CG1-CE2 4.47Å; I262-Y266 PolarHBondContact O-N 3.35Å
267	G	93.6	Very high	78	Confident	21 Å²	21	79.9 Å²	79.9	22%	0.216	40%	0.401	C	S	.	.			trans	80.7	173.5	-171.2	0	0	0	0	0	113.3	P151 Q263	P151-G267 VanDerWaalsContact CD-O 3.3Å; P151-G267 WeakPolarHBondContact CD-O 3.28Å; Q263-G267 WeakPolarHBondContact O-CA 3.34Å; Q263-G267 PolarHBondContact O-N 3.34Å
268	P	93.6	Very high	75.9	Confident	79 Å²	79	86.5 Å²	86.5	51%	0.513	44%	0.437	S	S	.	.	S	Bend	trans	-74.6	167.8	172.9	33.3	-35.9	0	0	0	111.7	P151	P151-P268 WeakPolarHBondContact CD-O 3.5Å; P151-P268 VanDerWaalsContact CG-O 3.24Å; P151-P268 WeakPolarHBondContact CG-O 3.43Å
269	P	89.9	Confident	73.2	Confident	38 Å²	38	90.8 Å²	90.8	25%	0.247	46%	0.463	C	S	.	.			trans	-55.6	143	177.7	-22.6	33.5	0	0	0	112.5	A148 V149 Y271	A148-P269 WeakPolarHBondContact O-CG 3.41Å; V149-P269 WeakPolarHBondContact O-CD 3.32Å; P269-Y271 PolarHBondContact O-N 3.28Å
270	R	80.4	Confident	70.9	Confident	196 Å²	196	94.7 Å²	94.7	74%	0.74	49%	0.491	S	S	*	.	S	Bend	trans	-69.6	-21.6	-179.7	-70.8	-178.1	178.1	178.4	2.7	113.6	P151	P151-R270 HydrophobicContact CB-CG 4.04Å; P151-R270 HydrophobicContact CG-CG 4.17Å
271	Y	64.2	Low	68.7	Low	212 Å²	212	97.4 Å²	97.4	83%	0.831	51%	0.508	S	S	*	.			trans	-114.2	101.9	169.2	-71.5	-85.2	0	0	0	107.5	P269 P273	P269-Y271 PolarHBondContact O-N 3.28Å; Y271-P273 VanDerWaalsContact O-CD 3.32Å; Y271-P273 WeakPolarHBondContact O-CD 3.38Å
272	T	51.4	Low	66.5	Low	112 Å²	112	105.1 Å²	105.1	69%	0.687	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-72.7	117.2	152.3	48.5	0	0	0	0	105.4
273	P	49.4	Very low	64.3	Low	110 Å²	110	113.4 Å²	113.4	71%	0.714	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-47.7	135.3	153.8	-17.4	30	0	0	0	106.3	Y271 D275	Y271-P273 VanDerWaalsContact O-CD 3.32Å; Y271-P273 WeakPolarHBondContact O-CD 3.38Å; P273-D275 PolarHBondContact O-N 3.35Å; P273-D275 VanDerWaalsContact O-N 3.07Å
274	P	40.3	Very low	62.5	Low	103 Å²	103	114.4 Å²	114.4	67%	0.669	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-50.4	127	174.6	20.7	-30.1	0	0	0	107.5	I276	P274-I276 WeakPolarHBondContact O-CG1 3.43Å; P274-I276 PolarHBondContact O-N 2.63Å
275	D	46	Very low	61.3	Low	136 Å²	136	116.7 Å²	116.7	73%	0.727	61%	0.613	S	S	*	*			trans	-63.4	97.2	164.7	-172.1	16.2	0	0	0	104.6	P273 T277	P273-D275 PolarHBondContact O-N 3.35Å; P273-D275 VanDerWaalsContact O-N 3.07Å; D275-T277 PolarHBondContact O-N 3.38Å; D275-T277 PolarHBondContact O-OG1 3.44Å
276	I	41.2	Very low	60.8	Low	129 Å²	129	120.9 Å²	120.9	66%	0.662	64%	0.635	S	S	*	*			trans	-72.1	72.7	176.5	-46.4	177.6	0	0	0	105.9	P274 D278	P274-I276 WeakPolarHBondContact O-CG1 3.43Å; P274-I276 PolarHBondContact O-N 2.63Å; I276-D278 PolarHBondContact O-N 2.79Å
277	T	47.1	Very low	60.5	Low	104 Å²	104	121.2 Å²	121.2	64%	0.638	64%	0.639	S	S	*	*			trans	-87	72.2	160.8	39.2	0	0	0	0	106.6	D275	D275-T277 PolarHBondContact O-N 3.38Å; D275-T277 PolarHBondContact O-OG1 3.44Å
278	D	46.2	Very low	60.3	Low	150 Å²	150	124 Å²	124	80%	0.802	65%	0.649	S	S	*	*			trans	168.8	97.3	152	-92.4	-26.5	0	0	0	110.3	I276	I276-D278 PolarHBondContact O-N 2.79Å
279	T	38	Very low	60.2	Low	94 Å²	94	120.8 Å²	120.8	58%	0.577	63%	0.629	S	S	*	*			trans	-142.2	141.8	142.5	28.6	0	0	0	0	107.3	E281	T279-E281 PolarHBondContact O-N 3.3Å
280	N	47.3	Very low	60.2	Low	182 Å²	182	121.7 Å²	121.7	97%	0.973	64%	0.636	S	S	*	*			trans	-63.6	59	168.4	-71.1	-57.7	0	0	0	110.4
281	E	45.9	Very low	60.6	Low	146 Å²	146	121.7 Å²	121.7	68%	0.682	64%	0.636	S	S	*	*			trans	-82.2	121.8	168.6	-70.4	-174.8	170.8	0	0	106.2	T279 E283	T279-E281 PolarHBondContact O-N 3.3Å; E281-E283 PolarHBondContact O-N 2.95Å
282	I	48.1	Very low	61.9	Low	163 Å²	163	112.5 Å²	112.5	84%	0.836	60%	0.602	S	S	*	*			trans	-51.7	109.7	160.4	-61.7	166.2	0	0	0	104.4	P284	I282-P284 WeakPolarHBondContact O-CD 3.38Å
283	E	49.4	Very low	63.9	Low	174 Å²	174	108.6 Å²	108.6	81%	0.813	58%	0.579	S	S	*	*			trans	-48.5	113.6	173.5	-89.5	-175.5	154.9	0	0	106.1	E281 E285	E281-E283 PolarHBondContact O-N 2.95Å; E283-E285 PolarHBondContact O-N 3.03Å
284	P	56.8	Low	66.1	Low	73 Å²	73	103.5 Å²	103.5	47%	0.474	55%	0.546	S	S	.	.			trans	-59.7	114	178.2	20.5	-28.2	0	0	0	106.4	I282 L286	I282-P284 WeakPolarHBondContact O-CD 3.38Å; P284-L286 PolarHBondContact O-N 3.26Å
285	E	69.3	Low	68.8	Low	186 Å²	186	100.4 Å²	100.4	87%	0.869	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-52.4	118.7	-179.9	-74.8	-171.1	165.7	0	0	107.9	E283	E283-E285 PolarHBondContact O-N 3.03Å
286	L	83.2	Confident	71.2	Confident	110 Å²	110	94 Å²	94	58%	0.576	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-56.5	130.4	178	-70.6	171.9	0	0	0	108.3	P284 D288 Y311 P325	P284-L286 PolarHBondContact O-N 3.26Å; L286-D288 PolarHBondContact O-N 3.26Å; L286-Y311 HydrophobicContact CD2-CD1 4.09Å; L286-Y311 HydrophobicContact CD2-CE1 3.45Å; L286-Y311 VanDerWaalsContact CD2-CE1 3.45Å; L286-P325 HydrophobicContact CB-CG 4.3Å; L286-P325 HydrophobicContact CD2-CG 4.33Å
287	P	88.8	Confident	73.9	Confident	27 Å²	27	87.9 Å²	87.9	18%	0.175	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-61.4	138.4	-179.3	23.8	-33	0	0	0	110.4	R308 Y311 W313	P287-R308 HydrophobicContact CB-CG 4.26Å; P287-Y311 HydrophobicContact CG-CD2 3.74Å; P287-Y311 HydrophobicContact CG-CE2 4.49Å; P287-Y311 HydrophobicContact CG-CG 4.01Å; P287-W313 HydrophobicContact CB-CH2 3.73Å; P287-W313 HydrophobicContact CB-CZ2 4.16Å; P287-W313 HydrophobicContact CG-CH2 3.42Å; P287-W313 VanDerWaalsContact CG-CH2 3.42Å; P287-W313 HydrophobicContact CG-CZ2 3.86Å; P287-W313 HydrophobicContact CG-CZ3 4.42Å; P287-W313 WeakPolarHBondContact O-CZ2 3.47Å
288	D	89.8	Confident	76.2	Confident	80 Å²	80	83.2 Å²	83.2	43%	0.428	43%	0.429	S	S	.	.			trans	-88.4	112.3	176.6	177.7	3.2	0	0	0	110	L286 C290 R291 T292	L286-D288 PolarHBondContact O-N 3.26Å; D288-C290 PolarHBondContact O-N 2.83Å; D288-C290 VanDerWaalsContact O-N 3.1Å; D288-C290 VanDerWaalsContact OD1-CB 3.32Å; D288-C290 WeakPolarHBondContact OD1-CB 3.17Å; D288-C290 PolarHBondContact OD1-N 2.87Å; D288-R291 HydrophobicContact CB-CB 4.35Å; D288-R291 PolarHBondContact O-N 3.24Å; D288-R291 WeakPolarHBondContact OD2-CD 3.01Å; D288-R291 VanDerWaalsContact OD2-CG 3.3Å; D288-R291 WeakPolarHBondContact OD2-CG 3.47Å; D288-T292 WeakPolarHBondContact O-CB 3.3Å; D288-T292 WeakPolarHBondContact O-CG2 3.48Å; D288-T292 PolarHBondContact O-N 3.47Å
289	A	91.2	Very high	78.4	Confident	11 Å²	11	78.4 Å²	78.4	9%	0.091	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.6	178.8	0	0	0	0	0	113.8	R291 F294 W313 F475	A289-R291 VanDerWaalsContact C-N 3.34Å; A289-F294 HydrophobicContact CB-CZ 4.46Å; A289-W313 HydrophobicContact CB-CZ2 4.08Å; A289-F475 HydrophobicContact CB-CB 4.24Å; A289-F475 HydrophobicContact CB-CD1 3.54Å; A289-F475 HydrophobicContact CB-CD2 4.06Å; A289-F475 HydrophobicContact CB-CE1 3.78Å; A289-F475 HydrophobicContact CB-CE2 4.28Å; A289-F475 HydrophobicContact CB-CG 3.67Å; A289-F475 HydrophobicContact CB-CZ 4.15Å
290	C	90.8	Very high	80.8	Confident	57 Å²	57	73.9 Å²	73.9	39%	0.385	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-19.7	178	-62.8	0	0	0	0	113.4	D288 C477	D288-C290 PolarHBondContact O-N 2.83Å; D288-C290 VanDerWaalsContact O-N 3.1Å; D288-C290 VanDerWaalsContact OD1-CB 3.32Å; D288-C290 WeakPolarHBondContact OD1-CB 3.17Å; D288-C290 PolarHBondContact OD1-N 2.87Å; C290-C477 WeakPolarHBondContact CA-SG 3.34Å; C290-C477 HydrophobicContact CB-CB 3.76Å; C290-C477 WeakPolarHBondContact CB-SG 3.46Å; C290-C477 WeakPolarHBondContact SG-CB 3.47Å; C290-C477 CovalentContact SG-SG 2.02Å; C290-C477 PolarHBondContact SG-SG 2.91Å
291	R	89.4	Confident	82.5	Confident	197 Å²	197	65.7 Å²	65.7	74%	0.743	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	-2.5	-168.4	-60.6	-179.4	69.8	-178.5	-0.2	114	D288 A289	D288-R291 HydrophobicContact CB-CB 4.35Å; D288-R291 PolarHBondContact O-N 3.24Å; D288-R291 WeakPolarHBondContact OD2-CD 3.01Å; D288-R291 VanDerWaalsContact OD2-CG 3.3Å; D288-R291 WeakPolarHBondContact OD2-CG 3.47Å; A289-R291 VanDerWaalsContact C-N 3.34Å
292	T	90.7	Very high	84.3	Confident	18 Å²	18	60.9 Å²	60.9	11%	0.11	32%	0.32	C	S	.	.			trans	-101.2	151.8	178.5	-165.1	0	0	0	0	112.3	D288 F294 R308 W313 L450	D288-T292 WeakPolarHBondContact O-CB 3.3Å; D288-T292 WeakPolarHBondContact O-CG2 3.48Å; D288-T292 PolarHBondContact O-N 3.47Å; T292-F294 HydrophobicContact CG2-CD1 4.44Å; T292-F294 HydrophobicContact CG2-CE1 3.91Å; T292-F294 HydrophobicContact CG2-CE2 4.35Å; T292-F294 HydrophobicContact CG2-CZ 3.86Å; T292-R308 PolarHBondContact OG1-NE 3.2Å; T292-W313 HydrophobicContact CG2-CH2 4.28Å; T292-L450 VanDerWaalsContact O-CD2 3.24Å; T292-L450 WeakPolarHBondContact O-CD2 3.32Å
293	S	93.4	Very high	86.3	Confident	30 Å²	30	53.6 Å²	53.6	21%	0.21	28%	0.282	C	S	.	.			trans	-81.8	171.7	155.9	62.8	0	0	0	0	109.8	R308 G449	S293-R308 VanDerWaalsContact O-CD 3.31Å; S293-R308 WeakPolarHBondContact O-CD 3.39Å; S293-R308 PolarHBondContact OG-NH1 3.46Å; S293-G449 WeakPolarHBondContact CB-O 3.3Å
294	F	95.8	Very high	88.5	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.018	25%	0.247	C	C	.	.			trans	-123.4	141.7	-178.5	-61.2	-83.2	0	0	0	109.8	A289 T292 V297 F306 F307 R308 W313 I470 F475	A289-F294 HydrophobicContact CB-CZ 4.46Å; T292-F294 HydrophobicContact CG2-CD1 4.44Å; T292-F294 HydrophobicContact CG2-CE1 3.91Å; T292-F294 HydrophobicContact CG2-CE2 4.35Å; T292-F294 HydrophobicContact CG2-CZ 3.86Å; F294-V297 HydrophobicContact CB-CG2 4.08Å; F294-F306 HydrophobicContact CB-CD1 4.22Å; F294-F306 HydrophobicContact CD1-CB 3.62Å; F294-F306 AromaticContact CD1-CD1 3.82Å; F294-F306 HydrophobicContact CD1-CD1 3.82Å; F294-F306 HydrophobicContact CD1-CG 4.2Å; F294-F306 AromaticContact CD2-CD1 3.57Å; F294-F306 HydrophobicContact CD2-CD1 3.57Å; F294-F306 HydrophobicContact CD2-CE1 4.09Å; F294-F306 HydrophobicContact CE1-CB 3.72Å; F294-F306 HydrophobicContact CE1-CD1 4Å; F294-F306 HydrophobicContact CE1-CG 4.23Å; F294-F306 AromaticContact CE2-CD1 3.79Å; F294-F306 HydrophobicContact CE2-CD1 3.79Å; F294-F306 HydrophobicContact CE2-CE1 4.22Å; F294-F306 HydrophobicContact CG-CB 4.22Å; F294-F306 AromaticContact CG-CD1 3.58Å; F294-F306 HydrophobicContact CG-CD1 3.58Å; F294-F306 HydrophobicContact CG-CE1 4.48Å; F294-F306 HydrophobicContact CG-CG 4.39Å; F294-F306 HydrophobicContact CZ-CB 4.41Å; F294-F306 AromaticContact CZ-CD1 3.99Å; F294-F306 HydrophobicContact CZ-CD1 3.99Å; F294-F306 HydrophobicContact CZ-CG 4.47Å; F294-F307 CarbonylContact C-O 3.51Å; F294-F307 WeakPolarHBondContact CA-O 3.39Å; F294-F307 WeakPolarHBondContact CB-O 3.48Å; F294-R308 HydrophobicContact CD1-CB 4.31Å; F294-W313 HydrophobicContact CD1-CE3 4.23Å; F294-W313 AromaticContact CD1-CZ3 3.96Å; F294-W313 HydrophobicContact CD1-CZ3 3.96Å; F294-W313 HydrophobicContact CE1-CD2 4.29Å; F294-W313 AromaticContact CE1-CE3 3.66Å; F294-W313 HydrophobicContact CE1-CE3 3.66Å; F294-W313 HydrophobicContact CE1-CH2 4.02Å; F294-W313 AromaticContact CE1-CZ3 3.53Å; F294-W313 HydrophobicContact CE1-CZ3 3.53Å; F294-I470 HydrophobicContact CD2-CD1 4.33Å; F294-I470 HydrophobicContact CD2-CG2 4.16Å; F294-I470 HydrophobicContact CE2-CG2 3.63Å; F294-F475 HydrophobicContact CE1-CE2 4.28Å; F294-F475 HydrophobicContact CE1-CZ 4.04Å; F294-F475 AromaticContact CE2-CE2 3.84Å; F294-F475 HydrophobicContact CE2-CE2 3.84Å; F294-F475 HydrophobicContact CE2-CZ 4.4Å; F294-F475 HydrophobicContact CZ-CD2 4.34Å; F294-F475 AromaticContact CZ-CE2 3.4Å; F294-F475 HydrophobicContact CZ-CE2 3.4Å; F294-F475 AromaticContact CZ-CZ 3.6Å; F294-F475 HydrophobicContact CZ-CZ 3.6Å
295	D	95.8	Very high	90.3	Very high	38 Å²	38	42.4 Å²	42.4	20%	0.203	22%	0.224	C	C	.	.	S	Bend	trans	-83.3	-30.1	-175.6	-52.7	-27.8	0	0	0	111.2	F307 R308 S309 I339 D340 D434	D295-F307 PolarHBondContact N-O 3.13Å; D295-R308 WeakPolarHBondContact OD1-CD 3.04Å; D295-R308 IonicContact OD1-CZ 3.18Å; D295-R308 IonicContact OD1-NE 4Å; D295-R308 IonicContact OD1-NH1 2.63Å; D295-R308 PolarHBondContact OD1-NH1 2.91Å; D295-R308 WeakPolarHBondContact OD2-CA 3.42Å; D295-S309 PolarHBondContact OD2-N 3.22Å; D295-I339 WeakPolarHBondContact CB-O 3.38Å; D295-D340 CarbonylContact O-C 3.57Å; D295-D434 VanDerWaalsContact O-O 3.08Å
296	A	97.3	Very high	91.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	155	171.5	0	0	0	0	0	109.8	F307 I339	A296-F307 HydrophobicContact CB-CB 4.21Å; A296-F307 HydrophobicContact CB-CD2 4.27Å; A296-F307 WeakPolarHBondContact O-CB 3.47Å; A296-F307 PolarHBondContact O-N 3.48Å; A296-I339 HydrophobicContact CB-CD1 3.76Å; A296-I339 HydrophobicContact CB-CG1 3.89Å
297	V	97.4	Very high	92.3	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	135.9	171.3	-177	0	0	0	0	108	F294 L304 F305 F306 A435 F437 L447	F294-V297 HydrophobicContact CB-CG2 4.08Å; V297-L304 HydrophobicContact CG1-CD1 3.55Å; V297-L304 HydrophobicContact CG1-CG 4.19Å; V297-F305 VanDerWaalsContact CA-O 3.28Å; V297-F305 WeakPolarHBondContact CA-O 3.49Å; V297-F305 WeakPolarHBondContact CG1-O 3.39Å; V297-F306 HydrophobicContact CB-CD1 4.41Å; V297-F306 HydrophobicContact CG1-CD1 4.13Å; V297-F306 HydrophobicContact CG1-CD2 4.23Å; V297-F306 HydrophobicContact CG1-CE1 4.06Å; V297-F306 HydrophobicContact CG1-CE2 4.17Å; V297-F306 HydrophobicContact CG1-CG 4.21Å; V297-F306 HydrophobicContact CG1-CZ 4.07Å; V297-F306 HydrophobicContact CG2-CB 4.49Å; V297-F306 HydrophobicContact CG2-CD1 3.35Å; V297-F306 HydrophobicContact CG2-CE1 3.66Å; V297-F306 HydrophobicContact CG2-CG 3.98Å; V297-F306 HydrophobicContact CG2-CZ 4.48Å; V297-A435 HydrophobicContact CB-CB 3.74Å; V297-A435 HydrophobicContact CG2-CB 3.76Å; V297-A435 VanDerWaalsContact N-CB 3.31Å; V297-F437 HydrophobicContact CB-CD1 4.16Å; V297-F437 HydrophobicContact CG1-CD1 3.48Å; V297-F437 VanDerWaalsContact CG1-CD1 3.48Å; V297-F437 HydrophobicContact CG1-CE1 3.8Å; V297-F437 HydrophobicContact CG1-CG 4.25Å; V297-L447 HydrophobicContact CB-CD1 4.33Å; V297-L447 HydrophobicContact CB-CD2 4.39Å; V297-L447 HydrophobicContact CG2-CD1 4.33Å; V297-L447 HydrophobicContact CG2-CD2 3.58Å
298	S	95.2	Very high	92.6	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.035	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	146.2	-179.5	-155.1	0	0	0	0	112.6	I300 F305 A342 Y343	S298-I300 PolarHBondContact O-N 3.11Å; S298-F305 PolarHBondContact N-O 2.95Å; S298-F305 PolarHBondContact O-N 3.47Å; S298-A342 WeakPolarHBondContact CB-O 3.23Å; S298-A342 PolarHBondContact OG-O 3.03Å; S298-Y343 VanDerWaalsContact OG-CA 3.26Å; S298-Y343 WeakPolarHBondContact OG-CA 3.43Å
299	M	92.3	Very high	92.7	Very high	49 Å²	49	29.6 Å²	29.6	24%	0.241	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	111.6	162.9	-72.2	-63.1	-68.8	0	0	107.2	G302 E303 L304 F437 L438	M299-G302 WeakPolarHBondContact CE-O 3.17Å; M299-E303 CarbonylContact C-O 3.42Å; M299-E303 WeakPolarHBondContact CA-O 3.36Å; M299-L304 HydrophobicContact CG-CD1 4.26Å; M299-L304 HydrophobicContact SD-CB 3.82Å; M299-L304 HydrophobicContact SD-CD1 3.69Å; M299-L304 HydrophobicContact SD-CG 4.32Å; M299-F437 HydrophobicContact CG-CB 4.46Å; M299-F437 HydrophobicContact CG-CD2 3.97Å; M299-F437 HydrophobicContact SD-CD2 4.4Å; M299-L438 WeakPolarHBondContact CG-O 3.15Å
300	I	90.3	Very high	92.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.7	175.2	-61.2	167.4	0	0	0	105.4	S298 G302 E303 F305 F307 W332 E344 I350 F352	S298-I300 PolarHBondContact O-N 3.11Å; I300-G302 VanDerWaalsContact C-N 3.25Å; I300-G302 PolarHBondContact O-N 3.2Å; I300-E303 PolarHBondContact N-O 3.27Å; I300-E303 PolarHBondContact O-N 3.43Å; I300-F305 HydrophobicContact CB-CD2 3.71Å; I300-F305 HydrophobicContact CB-CE2 3.98Å; I300-F305 HydrophobicContact CD1-CB 4.27Å; I300-F305 HydrophobicContact CD1-CD2 4.3Å; I300-F305 HydrophobicContact CD1-CG 4.37Å; I300-F305 HydrophobicContact CG1-CD2 4.37Å; I300-F305 HydrophobicContact CG2-CE2 4.41Å; I300-F305 WeakPolarHBondContact O-CE2 3.29Å; I300-F307 HydrophobicContact CD1-CE2 4.17Å; I300-F307 HydrophobicContact CD1-CZ 3.91Å; I300-W332 HydrophobicContact CD1-CH2 3.79Å; I300-W332 HydrophobicContact CD1-CZ2 3.56Å; I300-W332 HydrophobicContact CG2-CZ2 4.12Å; I300-E344 WeakPolarHBondContact CA-OE2 3.44Å; I300-I350 HydrophobicContact CD1-CG2 3.83Å; I300-I350 HydrophobicContact CG1-CG2 4.16Å; I300-I350 HydrophobicContact CG2-CD1 3.45Å; I300-I350 VanDerWaalsContact CG2-CD1 3.45Å; I300-I350 HydrophobicContact CG2-CG1 3.87Å; I300-F352 HydrophobicContact CD1-CE1 4.48Å; I300-F352 HydrophobicContact CD1-CZ 4.47Å
301	R	82.4	Confident	92.9	Very high	9 Å²	9	30.7 Å²	30.7	3%	0.034	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	34.4	171.9	-71.1	-178.1	175.3	-129.3	-12.2	113.9	G211 Y250 E303 E344	G211-R301 CarbonylContact O-C 3.55Å; G211-R301 WeakPolarHBondContact O-CA 3.16Å; G211-R301 WeakPolarHBondContact O-CB 3.16Å; G211-R301 WeakPolarHBondContact O-CG 3.45Å; Y250-R301 VanDerWaalsContact CE2-CZ 3.45Å; R301-E303 PolarHBondContact O-N 2.87Å; R301-E344 PolarHBondContact N-OE2 2.63Å
302	G	84.1	Confident	93.2	Very high	45 Å²	45	21.3 Å²	21.3	46%	0.464	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	4.7	-176.1	0	0	0	0	0	114.6	M299 I300	M299-G302 WeakPolarHBondContact CE-O 3.17Å; I300-G302 VanDerWaalsContact C-N 3.25Å; I300-G302 PolarHBondContact O-N 3.2Å
303	E	89.6	Confident	93.5	Very high	10 Å²	10	20.6 Å²	20.6	5%	0.047	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	153.2	-178.6	-63.7	174.6	137.2	0	0	110.7	M299 I300 R301 F305 R314 R316	M299-E303 CarbonylContact C-O 3.42Å; M299-E303 WeakPolarHBondContact CA-O 3.36Å; I300-E303 PolarHBondContact N-O 3.27Å; I300-E303 PolarHBondContact O-N 3.43Å; R301-E303 PolarHBondContact O-N 2.87Å; E303-F305 HydrophobicContact CB-CD2 4.42Å; E303-F305 HydrophobicContact CB-CE2 3.88Å; E303-R314 VanDerWaalsContact CD-CZ 3.49Å; E303-R314 IonicContact OE1-CZ 3.66Å; E303-R314 IonicContact OE1-NE 3.34Å; E303-R314 PolarHBondContact OE1-NE 2.68Å; E303-R314 IonicContact OE1-NH2 2.98Å; E303-R314 PolarHBondContact OE1-NH2 3.26Å; E303-R314 IonicContact OE2-CZ 3.94Å; E303-R314 IonicContact OE2-NE 3.29Å; E303-R314 PolarHBondContact OE2-NE 2.84Å; E303-R314 IonicContact OE2-NH2 2.77Å; E303-R314 PolarHBondContact OE2-NH2 2.8Å; E303-R316 HydrophobicContact CG-CB 4.07Å; E303-R316 HydrophobicContact CG-CG 4.05Å; E303-R316 WeakPolarHBondContact OE1-CB 3.46Å; E303-R316 WeakPolarHBondContact OE1-CD 3.3Å; E303-R316 VanDerWaalsContact OE1-CG 3.24Å; E303-R316 WeakPolarHBondContact OE1-CG 3.45Å
304	L	94.6	Very high	93.4	Very high	13 Å²	13	19.9 Å²	19.9	7%	0.068	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.2	-175.9	-172	61.5	0	0	0	109.5	V297 M299 F306 I315 F437 F474	V297-L304 HydrophobicContact CG1-CD1 3.55Å; V297-L304 HydrophobicContact CG1-CG 4.19Å; M299-L304 HydrophobicContact CG-CD1 4.26Å; M299-L304 HydrophobicContact SD-CB 3.82Å; M299-L304 HydrophobicContact SD-CD1 3.69Å; M299-L304 HydrophobicContact SD-CG 4.32Å; L304-F306 HydrophobicContact CD1-CE2 4.49Å; L304-F306 HydrophobicContact CD2-CD2 4.36Å; L304-F306 HydrophobicContact CD2-CE2 3.4Å; L304-F306 HydrophobicContact CD2-CZ 3.97Å; L304-F306 HydrophobicContact CG-CD2 4.07Å; L304-F306 HydrophobicContact CG-CE2 3.57Å; L304-F306 HydrophobicContact CG-CZ 4.42Å; L304-I315 HydrophobicContact CB-CB 4.26Å; L304-I315 PolarHBondContact N-O 2.77Å; L304-I315 PolarHBondContact O-N 3.35Å; L304-F437 HydrophobicContact CD1-CD1 3.93Å; L304-F437 HydrophobicContact CD1-CD2 3.61Å; L304-F437 HydrophobicContact CD1-CE1 3.94Å; L304-F437 HydrophobicContact CD1-CE2 3.65Å; L304-F437 HydrophobicContact CD1-CG 3.76Å; L304-F437 HydrophobicContact CD1-CZ 3.82Å; L304-F437 HydrophobicContact CD2-CE1 4.25Å; L304-F437 HydrophobicContact CD2-CE2 3.96Å; L304-F437 HydrophobicContact CD2-CZ 3.68Å; L304-F437 HydrophobicContact CG-CE2 4.49Å; L304-F437 HydrophobicContact CG-CZ 4.44Å; L304-F474 HydrophobicContact CD2-CD1 3.63Å; L304-F474 HydrophobicContact CD2-CE1 3.43Å; L304-F474 VanDerWaalsContact CD2-CE1 3.43Å; L304-F474 HydrophobicContact CD2-CZ 4.47Å
305	F	95.7	Very high	93.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.5	177.3	-72.9	-96.8	0	0	0	110.3	Y250 V297 S298 I300 E303 F307 V312 W313 R314 H331 W332	Y250-F305 HydrophobicContact CD1-CZ 4.25Å; V297-F305 VanDerWaalsContact CA-O 3.28Å; V297-F305 WeakPolarHBondContact CA-O 3.49Å; V297-F305 WeakPolarHBondContact CG1-O 3.39Å; S298-F305 PolarHBondContact N-O 2.95Å; S298-F305 PolarHBondContact O-N 3.47Å; I300-F305 HydrophobicContact CB-CD2 3.71Å; I300-F305 HydrophobicContact CB-CE2 3.98Å; I300-F305 HydrophobicContact CD1-CB 4.27Å; I300-F305 HydrophobicContact CD1-CD2 4.3Å; I300-F305 HydrophobicContact CD1-CG 4.37Å; I300-F305 HydrophobicContact CG1-CD2 4.37Å; I300-F305 HydrophobicContact CG2-CE2 4.41Å; I300-F305 WeakPolarHBondContact O-CE2 3.29Å; E303-F305 HydrophobicContact CB-CD2 4.42Å; E303-F305 HydrophobicContact CB-CE2 3.88Å; F305-F307 HydrophobicContact CB-CD2 4.36Å; F305-F307 HydrophobicContact CB-CE2 3.56Å; F305-F307 HydrophobicContact CB-CZ 3.96Å; F305-V312 HydrophobicContact CB-CG2 3.97Å; F305-V312 HydrophobicContact CD1-CG2 3.66Å; F305-V312 HydrophobicContact CG-CG2 4.31Å; F305-W313 VanDerWaalsContact CA-O 3.28Å; F305-W313 WeakPolarHBondContact CA-O 3.19Å; F305-R314 HydrophobicContact CD1-CB 4.16Å; F305-R314 HydrophobicContact CD1-CG 4.41Å; F305-R314 HydrophobicContact CE1-CB 3.78Å; F305-R314 HydrophobicContact CE1-CG 3.74Å; F305-R314 HydrophobicContact CE2-CG 4.26Å; F305-R314 HydrophobicContact CZ-CB 4.23Å; F305-R314 HydrophobicContact CZ-CG 3.66Å; F305-H331 AromaticContact CE1-CE1 3.7Å; F305-H331 AromaticContact CE1-ND1 3.9Å; F305-W332 AromaticContact CD1-CH2 3.74Å; F305-W332 HydrophobicContact CD1-CH2 3.74Å; F305-W332 AromaticContact CE1-CH2 3.98Å; F305-W332 HydrophobicContact CE1-CH2 3.98Å; F305-W332 HydrophobicContact CG-CH2 4.12Å
306	F	97.5	Very high	92.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128	173.5	-78	-101.7	0	0	0	108.9	F294 V297 L304 V312 W313 I315 L447 I470 F474 F475	F294-F306 HydrophobicContact CB-CD1 4.22Å; F294-F306 HydrophobicContact CD1-CB 3.62Å; F294-F306 AromaticContact CD1-CD1 3.82Å; F294-F306 HydrophobicContact CD1-CD1 3.82Å; F294-F306 HydrophobicContact CD1-CG 4.2Å; F294-F306 AromaticContact CD2-CD1 3.57Å; F294-F306 HydrophobicContact CD2-CD1 3.57Å; F294-F306 HydrophobicContact CD2-CE1 4.09Å; F294-F306 HydrophobicContact CE1-CB 3.72Å; F294-F306 HydrophobicContact CE1-CD1 4Å; F294-F306 HydrophobicContact CE1-CG 4.23Å; F294-F306 AromaticContact CE2-CD1 3.79Å; F294-F306 HydrophobicContact CE2-CD1 3.79Å; F294-F306 HydrophobicContact CE2-CE1 4.22Å; F294-F306 HydrophobicContact CG-CB 4.22Å; F294-F306 AromaticContact CG-CD1 3.58Å; F294-F306 HydrophobicContact CG-CD1 3.58Å; F294-F306 HydrophobicContact CG-CE1 4.48Å; F294-F306 HydrophobicContact CG-CG 4.39Å; F294-F306 HydrophobicContact CZ-CB 4.41Å; F294-F306 AromaticContact CZ-CD1 3.99Å; F294-F306 HydrophobicContact CZ-CD1 3.99Å; F294-F306 HydrophobicContact CZ-CG 4.47Å; V297-F306 HydrophobicContact CB-CD1 4.41Å; V297-F306 HydrophobicContact CG1-CD1 4.13Å; V297-F306 HydrophobicContact CG1-CD2 4.23Å; V297-F306 HydrophobicContact CG1-CE1 4.06Å; V297-F306 HydrophobicContact CG1-CE2 4.17Å; V297-F306 HydrophobicContact CG1-CG 4.21Å; V297-F306 HydrophobicContact CG1-CZ 4.07Å; V297-F306 HydrophobicContact CG2-CB 4.49Å; V297-F306 HydrophobicContact CG2-CD1 3.35Å; V297-F306 HydrophobicContact CG2-CE1 3.66Å; V297-F306 HydrophobicContact CG2-CG 3.98Å; V297-F306 HydrophobicContact CG2-CZ 4.48Å; L304-F306 HydrophobicContact CD1-CE2 4.49Å; L304-F306 HydrophobicContact CD2-CD2 4.36Å; L304-F306 HydrophobicContact CD2-CE2 3.4Å; L304-F306 HydrophobicContact CD2-CZ 3.97Å; L304-F306 HydrophobicContact CG-CD2 4.07Å; L304-F306 HydrophobicContact CG-CE2 3.57Å; L304-F306 HydrophobicContact CG-CZ 4.42Å; F306-V312 CarbonylContact O-C 3.52Å; F306-V312 WeakPolarHBondContact O-CA 3.44Å; F306-V312 WeakPolarHBondContact O-CG2 3.37Å; F306-W313 HydrophobicContact CB-CB 4.37Å; F306-W313 HydrophobicContact CB-CE3 4.29Å; F306-W313 PolarHBondContact N-O 2.84Å; F306-W313 PolarHBondContact O-N 3.09Å; F306-I315 HydrophobicContact CD2-CD1 4.02Å; F306-I315 HydrophobicContact CE2-CD1 3.78Å; F306-L447 HydrophobicContact CD1-CD2 4.39Å; F306-L447 HydrophobicContact CE1-CD2 3.64Å; F306-L447 HydrophobicContact CZ-CD2 4.46Å; F306-I470 HydrophobicContact CD1-CG2 4.43Å; F306-I470 HydrophobicContact CE1-CG2 3.63Å; F306-I470 HydrophobicContact CZ-CG2 4.16Å; F306-F474 HydrophobicContact CE2-CB 4.25Å; F306-F474 AromaticContact CE2-CD1 3.92Å; F306-F474 HydrophobicContact CE2-CD1 3.92Å; F306-F474 HydrophobicContact CE2-CG 4.09Å; F306-F474 HydrophobicContact CZ-CB 4.07Å; F306-F474 AromaticContact CZ-CD1 3.78Å; F306-F474 HydrophobicContact CZ-CD1 3.78Å; F306-F474 AromaticContact CZ-CD2 3.99Å; F306-F474 HydrophobicContact CZ-CD2 3.99Å; F306-F474 HydrophobicContact CZ-CE1 4.2Å; F306-F474 HydrophobicContact CZ-CE2 4.37Å; F306-F474 AromaticContact CZ-CG 3.67Å; F306-F474 HydrophobicContact CZ-CG 3.67Å; F306-F474 HydrophobicContact CZ-CZ 4.47Å; F306-F475 HydrophobicContact CB-CZ 4.09Å; F306-F475 HydrophobicContact CD1-CE2 4.18Å; F306-F475 HydrophobicContact CD1-CZ 4.14Å; F306-F475 HydrophobicContact CD2-CE2 4.41Å; F306-F475 AromaticContact CD2-CZ 3.88Å; F306-F475 HydrophobicContact CD2-CZ 3.88Å; F306-F475 HydrophobicContact CE1-CE2 4.24Å; F306-F475 HydrophobicContact CE2-CE2 4.46Å; F306-F475 HydrophobicContact CE2-CZ 4.31Å; F306-F475 HydrophobicContact CG-CE2 4.26Å; F306-F475 AromaticContact CG-CZ 3.79Å; F306-F475 HydrophobicContact CG-CZ 3.79Å; F306-F475 HydrophobicContact CZ-CE2 4.39Å
307	F	97	Very high	92.1	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.009	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.7	-176.6	-63.4	-100.2	0	0	0	110.6	F294 D295 A296 I300 F305 Y311 V312 W332 I339 F352	F294-F307 CarbonylContact C-O 3.51Å; F294-F307 WeakPolarHBondContact CA-O 3.39Å; F294-F307 WeakPolarHBondContact CB-O 3.48Å; D295-F307 PolarHBondContact N-O 3.13Å; A296-F307 HydrophobicContact CB-CB 4.21Å; A296-F307 HydrophobicContact CB-CD2 4.27Å; A296-F307 WeakPolarHBondContact O-CB 3.47Å; A296-F307 PolarHBondContact O-N 3.48Å; I300-F307 HydrophobicContact CD1-CE2 4.17Å; I300-F307 HydrophobicContact CD1-CZ 3.91Å; F305-F307 HydrophobicContact CB-CD2 4.36Å; F305-F307 HydrophobicContact CB-CE2 3.56Å; F305-F307 HydrophobicContact CB-CZ 3.96Å; F307-Y311 WeakPolarHBondContact CA-O 3.26Å; F307-V312 HydrophobicContact CD1-CB 4.1Å; F307-V312 HydrophobicContact CD1-CG2 3.7Å; F307-V312 HydrophobicContact CD2-CG2 4.21Å; F307-V312 HydrophobicContact CE1-CB 4.25Å; F307-V312 HydrophobicContact CE1-CG2 3.67Å; F307-V312 HydrophobicContact CE2-CG2 4.16Å; F307-V312 HydrophobicContact CG-CG2 4Å; F307-V312 HydrophobicContact CZ-CG2 3.89Å; F307-W332 AromaticContact CE1-CE3 3.98Å; F307-W332 HydrophobicContact CE1-CE3 3.98Å; F307-W332 AromaticContact CE1-CH2 3.91Å; F307-W332 HydrophobicContact CE1-CH2 3.91Å; F307-W332 AromaticContact CE1-CZ3 3.3Å; F307-W332 HydrophobicContact CE1-CZ3 3.3Å; F307-W332 HydrophobicContact CZ-CE3 4.34Å; F307-W332 AromaticContact CZ-CH2 3.52Å; F307-W332 HydrophobicContact CZ-CH2 3.52Å; F307-W332 HydrophobicContact CZ-CZ2 4.48Å; F307-W332 AromaticContact CZ-CZ3 3.45Å; F307-W332 HydrophobicContact CZ-CZ3 3.45Å; F307-W332 VanDerWaalsContact CZ-CZ3 3.45Å; F307-I339 HydrophobicContact CB-CD1 4.05Å; F307-I339 HydrophobicContact CB-CG1 4.06Å; F307-I339 HydrophobicContact CD1-CD1 3.54Å; F307-I339 HydrophobicContact CD1-CG1 4.12Å; F307-I339 HydrophobicContact CD2-CD1 3.94Å; F307-I339 HydrophobicContact CE1-CD1 3.83Å; F307-I339 HydrophobicContact CE2-CD1 4.23Å; F307-I339 HydrophobicContact CG-CD1 3.58Å; F307-I339 HydrophobicContact CG-CG1 4.12Å; F307-I339 HydrophobicContact CZ-CD1 4.18Å; F307-F352 AromaticContact CE1-CE1 3.98Å; F307-F352 HydrophobicContact CE1-CE1 3.98Å; F307-F352 AromaticContact CZ-CE1 3.78Å; F307-F352 HydrophobicContact CZ-CE1 3.78Å; F307-F352 HydrophobicContact CZ-CZ 4.39Å
308	R	95	Very high	91.4	Very high	72 Å²	72	37.2 Å²	37.2	27%	0.272	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	116.4	171.8	-178.4	56.7	166.9	-174.8	-0.8	109.3	P287 T292 S293 F294 D295 Q310 Y311 W313	P287-R308 HydrophobicContact CB-CG 4.26Å; T292-R308 PolarHBondContact OG1-NE 3.2Å; S293-R308 VanDerWaalsContact O-CD 3.31Å; S293-R308 WeakPolarHBondContact O-CD 3.39Å; S293-R308 PolarHBondContact OG-NH1 3.46Å; F294-R308 HydrophobicContact CD1-CB 4.31Å; D295-R308 WeakPolarHBondContact OD1-CD 3.04Å; D295-R308 IonicContact OD1-CZ 3.18Å; D295-R308 IonicContact OD1-NE 4Å; D295-R308 IonicContact OD1-NH1 2.63Å; D295-R308 PolarHBondContact OD1-NH1 2.91Å; D295-R308 WeakPolarHBondContact OD2-CA 3.42Å; R308-Q310 PolarHBondContact O-N 2.85Å; R308-Y311 PolarHBondContact N-O 2.94Å; R308-Y311 WeakPolarHBondContact O-CB 3.48Å; R308-Y311 PolarHBondContact O-N 2.66Å; R308-W313 HydrophobicContact CB-CH2 3.96Å; R308-W313 HydrophobicContact CB-CZ3 3.63Å
309	S	92.1	Very high	90.9	Very high	59 Å²	59	46.2 Å²	46.2	41%	0.413	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	-133.4	-172.1	-48.3	0	0	0	0	108.7	D295 Y311 D337	D295-S309 PolarHBondContact OD2-N 3.22Å; S309-Y311 PolarHBondContact O-N 3.18Å; S309-D337 CarbonylContact C-O 3.57Å
310	Q	92.6	Very high	90.7	Very high	65 Å²	65	47.3 Å²	47.3	30%	0.304	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	0.5	-178.9	63.5	-179.5	-2.8	0	0	113.5	R308 L327 S328 D337	R308-Q310 PolarHBondContact O-N 2.85Å; Q310-L327 HydrophobicContact CB-CD2 4.15Å; Q310-L327 HydrophobicContact CG-CD2 3.68Å; Q310-L327 CarbonylContact O-C 3.5Å; Q310-L327 VanDerWaalsContact O-CA 3.3Å; Q310-L327 WeakPolarHBondContact O-CA 3.17Å; Q310-S328 PolarHBondContact O-N 3.41Å; Q310-S328 PolarHBondContact O-OG 3.22Å; Q310-D337 WeakPolarHBondContact CA-O 3.31Å; Q310-D337 WeakPolarHBondContact CB-O 3.33Å; Q310-D337 PolarHBondContact N-O 2.7Å
311	Y	93.9	Very high	90.5	Very high	26 Å²	26	49.9 Å²	49.9	10%	0.102	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	150.7	-173.8	-59.9	-81.8	0	0	0	112.1	L286 P287 F307 R308 S309 P325 A326 L327	L286-Y311 HydrophobicContact CD2-CD1 4.09Å; L286-Y311 HydrophobicContact CD2-CE1 3.45Å; L286-Y311 VanDerWaalsContact CD2-CE1 3.45Å; P287-Y311 HydrophobicContact CG-CD2 3.74Å; P287-Y311 HydrophobicContact CG-CE2 4.49Å; P287-Y311 HydrophobicContact CG-CG 4.01Å; F307-Y311 WeakPolarHBondContact CA-O 3.26Å; R308-Y311 PolarHBondContact N-O 2.94Å; R308-Y311 WeakPolarHBondContact O-CB 3.48Å; R308-Y311 PolarHBondContact O-N 2.66Å; S309-Y311 PolarHBondContact O-N 3.18Å; Y311-P325 HydrophobicContact CD1-CB 4.25Å; Y311-P325 HydrophobicContact CG-CB 4.41Å; Y311-A326 CarbonylContact C-O 3.58Å; Y311-A326 VanDerWaalsContact CA-O 3.26Å; Y311-A326 WeakPolarHBondContact CA-O 3.43Å; Y311-L327 HydrophobicContact CD1-CD2 4.29Å; Y311-L327 HydrophobicContact CE1-CD2 3.94Å
312	V	95.4	Very high	90.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.5	173.9	74.4	0	0	0	0	110.1	F305 F306 F307 Y324 P325 A326 W332	F305-V312 HydrophobicContact CB-CG2 3.97Å; F305-V312 HydrophobicContact CD1-CG2 3.66Å; F305-V312 HydrophobicContact CG-CG2 4.31Å; F306-V312 CarbonylContact O-C 3.52Å; F306-V312 WeakPolarHBondContact O-CA 3.44Å; F306-V312 WeakPolarHBondContact O-CG2 3.37Å; F307-V312 HydrophobicContact CD1-CB 4.1Å; F307-V312 HydrophobicContact CD1-CG2 3.7Å; F307-V312 HydrophobicContact CD2-CG2 4.21Å; F307-V312 HydrophobicContact CE1-CB 4.25Å; F307-V312 HydrophobicContact CE1-CG2 3.67Å; F307-V312 HydrophobicContact CE2-CG2 4.16Å; F307-V312 HydrophobicContact CG-CG2 4Å; F307-V312 HydrophobicContact CZ-CG2 3.89Å; V312-Y324 HydrophobicContact CG1-CD1 4.38Å; V312-Y324 HydrophobicContact CG1-CE1 4.16Å; V312-Y324 VanDerWaalsContact O-CD1 3.3Å; V312-Y324 WeakPolarHBondContact O-CD1 3.32Å; V312-P325 WeakPolarHBondContact O-CA 3.5Å; V312-A326 PolarHBondContact N-O 3.21Å; V312-A326 PolarHBondContact O-N 3.21Å; V312-W332 HydrophobicContact CG2-CZ3 4.4Å
313	W	95.8	Very high	90	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.6	163.7	-64.5	-106.5	0	0	0	109.1	P287 A289 T292 F294 F305 F306 R308 L320 P325 F475	P287-W313 HydrophobicContact CB-CH2 3.73Å; P287-W313 HydrophobicContact CB-CZ2 4.16Å; P287-W313 HydrophobicContact CG-CH2 3.42Å; P287-W313 VanDerWaalsContact CG-CH2 3.42Å; P287-W313 HydrophobicContact CG-CZ2 3.86Å; P287-W313 HydrophobicContact CG-CZ3 4.42Å; P287-W313 WeakPolarHBondContact O-CZ2 3.47Å; A289-W313 HydrophobicContact CB-CZ2 4.08Å; T292-W313 HydrophobicContact CG2-CH2 4.28Å; F294-W313 HydrophobicContact CD1-CE3 4.23Å; F294-W313 AromaticContact CD1-CZ3 3.96Å; F294-W313 HydrophobicContact CD1-CZ3 3.96Å; F294-W313 HydrophobicContact CE1-CD2 4.29Å; F294-W313 AromaticContact CE1-CE3 3.66Å; F294-W313 HydrophobicContact CE1-CE3 3.66Å; F294-W313 HydrophobicContact CE1-CH2 4.02Å; F294-W313 AromaticContact CE1-CZ3 3.53Å; F294-W313 HydrophobicContact CE1-CZ3 3.53Å; F305-W313 VanDerWaalsContact CA-O 3.28Å; F305-W313 WeakPolarHBondContact CA-O 3.19Å; F306-W313 HydrophobicContact CB-CB 4.37Å; F306-W313 HydrophobicContact CB-CE3 4.29Å; F306-W313 PolarHBondContact N-O 2.84Å; F306-W313 PolarHBondContact O-N 3.09Å; R308-W313 HydrophobicContact CB-CH2 3.96Å; R308-W313 HydrophobicContact CB-CZ3 3.63Å; W313-L320 HydrophobicContact CB-CD1 3.94Å; W313-L320 HydrophobicContact CG-CD1 4.25Å; W313-P325 HydrophobicContact CD2-CB 4.09Å; W313-P325 HydrophobicContact CH2-CB 4.36Å; W313-P325 HydrophobicContact CZ2-CB 3.76Å; W313-P325 HydrophobicContact CZ2-CG 4.02Å; W313-F475 HydrophobicContact CB-CE1 3.74Å; W313-F475 HydrophobicContact CB-CZ 4.22Å; W313-F475 AromaticContact CD1-CE1 3.75Å; W313-F475 HydrophobicContact CD2-CE1 4.38Å; W313-F475 AromaticContact CG-CE1 3.7Å; W313-F475 HydrophobicContact CG-CE1 3.7Å; W313-F475 HydrophobicContact CG-CZ 4.27Å
314	R	92.8	Very high	89.8	Confident	14 Å²	14	54.1 Å²	54.1	5%	0.053	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.4	178.6	-179.1	-175.4	179.4	-151	7.8	109.6	Y250 E303 F305 Q321 Y324	Y250-R314 WeakPolarHBondContact O-CD 3.11Å; Y250-R314 PolarHBondContact O-NE 3.28Å; Y250-R314 PolarHBondContact O-NH1 2.82Å; Y250-R314 PolarHBondContact O-NH2 3.06Å; E303-R314 VanDerWaalsContact CD-CZ 3.49Å; E303-R314 IonicContact OE1-CZ 3.66Å; E303-R314 IonicContact OE1-NE 3.34Å; E303-R314 PolarHBondContact OE1-NE 2.68Å; E303-R314 IonicContact OE1-NH2 2.98Å; E303-R314 PolarHBondContact OE1-NH2 3.26Å; E303-R314 IonicContact OE2-CZ 3.94Å; E303-R314 IonicContact OE2-NE 3.29Å; E303-R314 PolarHBondContact OE2-NE 2.84Å; E303-R314 IonicContact OE2-NH2 2.77Å; E303-R314 PolarHBondContact OE2-NH2 2.8Å; F305-R314 HydrophobicContact CD1-CB 4.16Å; F305-R314 HydrophobicContact CD1-CG 4.41Å; F305-R314 HydrophobicContact CE1-CB 3.78Å; F305-R314 HydrophobicContact CE1-CG 3.74Å; F305-R314 HydrophobicContact CE2-CG 4.26Å; F305-R314 HydrophobicContact CZ-CB 4.23Å; F305-R314 HydrophobicContact CZ-CG 3.66Å; R314-Q321 HydrophobicContact CB-CB 4.41Å; R314-Q321 HydrophobicContact CB-CG 4.41Å; R314-Q321 HydrophobicContact CG-CB 4.5Å; R314-Q321 HydrophobicContact CG-CG 4.03Å; R314-Q321 WeakPolarHBondContact O-CB 3.36Å; R314-Q321 WeakPolarHBondContact O-CG 3.13Å; R314-Q321 PolarHBondContact O-N 2.73Å; R314-Y324 HydrophobicContact CB-CD1 4.08Å; R314-Y324 HydrophobicContact CB-CD2 4.13Å; R314-Y324 HydrophobicContact CB-CE1 3.65Å; R314-Y324 HydrophobicContact CB-CE2 3.72Å; R314-Y324 HydrophobicContact CB-CG 4.3Å; R314-Y324 VanDerWaalsContact CB-CZ 3.46Å; R314-Y324 VanDerWaalsContact CD-OH 3.3Å; R314-Y324 WeakPolarHBondContact CD-OH 3.29Å
315	I	90.9	Very high	89.7	Confident	9 Å²	9	55 Å²	55	5%	0.046	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.8	176.5	-63.6	173.6	0	0	0	108.6	L304 F306 R319 L320 F474 F475	L304-I315 HydrophobicContact CB-CB 4.26Å; L304-I315 PolarHBondContact N-O 2.77Å; L304-I315 PolarHBondContact O-N 3.35Å; F306-I315 HydrophobicContact CD2-CD1 4.02Å; F306-I315 HydrophobicContact CE2-CD1 3.78Å; I315-R319 WeakPolarHBondContact CA-O 3.2Å; I315-L320 HydrophobicContact CG1-CD1 4.32Å; I315-F474 HydrophobicContact CD1-CB 3.78Å; I315-F474 HydrophobicContact CD1-CD1 4.33Å; I315-F474 WeakPolarHBondContact CD1-O 3.31Å; I315-F475 HydrophobicContact CD1-CD1 4.39Å; I315-F475 HydrophobicContact CD1-CE1 3.99Å; I315-F475 HydrophobicContact CD1-CZ 4.13Å
316	R	86.9	Confident	89.4	Confident	67 Å²	67	55.4 Å²	55.4	25%	0.253	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.3	175.9	-177.3	-167.9	167.9	152.5	6.7	108.4	D248 E303 R318 R319 Q321	D248-R316 VanDerWaalsContact CG-NH2 3.34Å; D248-R316 PolarHBondContact O-NH1 3.02Å; D248-R316 IonicContact OD1-CZ 2.83Å; D248-R316 IonicContact OD1-NH1 3.94Å; D248-R316 PolarHBondContact OD1-NH1 2.87Å; D248-R316 IonicContact OD1-NH2 3.15Å; D248-R316 PolarHBondContact OD1-NH2 2.94Å; D248-R316 IonicContact OD2-CZ 3.78Å; D248-R316 IonicContact OD2-NH1 3.46Å; D248-R316 IonicContact OD2-NH2 3.64Å; D248-R316 PolarHBondContact OD2-NH2 2.77Å; E303-R316 HydrophobicContact CG-CB 4.07Å; E303-R316 HydrophobicContact CG-CG 4.05Å; E303-R316 WeakPolarHBondContact OE1-CB 3.46Å; E303-R316 WeakPolarHBondContact OE1-CD 3.3Å; E303-R316 VanDerWaalsContact OE1-CG 3.24Å; E303-R316 WeakPolarHBondContact OE1-CG 3.45Å; R316-R318 PolarHBondContact O-N 3.23Å; R316-R318 VanDerWaalsContact O-N 3.13Å; R316-R319 PolarHBondContact N-O 2.94Å; R316-R319 PolarHBondContact O-N 3.1Å; R316-R319 VanDerWaalsContact O-O 3.11Å; R316-Q321 HydrophobicContact CB-CG 4.07Å
317	D	82.5	Confident	88.9	Confident	128 Å²	128	58.8 Å²	58.8	68%	0.684	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	38.6	-180	-59.7	-47.2	0	0	0	113.6	R319	D317-R319 PolarHBondContact O-N 3.11Å
318	R	82.6	Confident	88.6	Confident	205 Å²	205	58.9 Å²	58.9	77%	0.774	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	24.5	-175.8	-54.9	179.6	-72.3	178.5	-5.4	114.4	R316	R316-R318 PolarHBondContact O-N 3.23Å; R316-R318 VanDerWaalsContact O-N 3.13Å
319	R	85	Confident	88.2	Confident	193 Å²	193	58.5 Å²	58.5	73%	0.728	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.7	175.3	-65.6	-178.8	176.5	178	-0.5	110.5	I315 R316 D317 Q321	I315-R319 WeakPolarHBondContact CA-O 3.2Å; R316-R319 PolarHBondContact N-O 2.94Å; R316-R319 PolarHBondContact O-N 3.1Å; R316-R319 VanDerWaalsContact O-O 3.11Å; D317-R319 PolarHBondContact O-N 3.11Å; R319-Q321 PolarHBondContact O-N 2.89Å; R319-Q321 PolarHBondContact O-NE2 3.06Å
320	L	88.2	Confident	87.7	Confident	72 Å²	72	60.6 Å²	60.6	38%	0.377	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	128	169.8	178.3	63.9	0	0	0	109.4	W313 I315 F475	W313-L320 HydrophobicContact CB-CD1 3.94Å; W313-L320 HydrophobicContact CG-CD1 4.25Å; I315-L320 HydrophobicContact CG1-CD1 4.32Å; L320-F475 HydrophobicContact CD1-CD1 4.32Å; L320-F475 HydrophobicContact CD1-CE1 4.21Å; L320-F475 HydrophobicContact CD2-CD1 4.31Å
321	Q	86.6	Confident	87.2	Confident	54 Å²	54	57.8 Å²	57.8	25%	0.252	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-77.9	150.2	178.6	-60.3	-53.4	-66.7	0	0	111.1	R314 R316 R319 Y324	R314-Q321 HydrophobicContact CB-CB 4.41Å; R314-Q321 HydrophobicContact CB-CG 4.41Å; R314-Q321 HydrophobicContact CG-CB 4.5Å; R314-Q321 HydrophobicContact CG-CG 4.03Å; R314-Q321 WeakPolarHBondContact O-CB 3.36Å; R314-Q321 WeakPolarHBondContact O-CG 3.13Å; R314-Q321 PolarHBondContact O-N 2.73Å; R316-Q321 HydrophobicContact CB-CG 4.07Å; R319-Q321 PolarHBondContact O-N 2.89Å; R319-Q321 PolarHBondContact O-NE2 3.06Å; Q321-Y324 HydrophobicContact CB-CD2 3.88Å; Q321-Y324 HydrophobicContact CB-CE2 3.82Å; Q321-Y324 WeakPolarHBondContact O-CD2 2.87Å
322	G	77.1	Confident	87	Confident	69 Å²	69	56.5 Å²	56.5	71%	0.711	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	148.7	177.4	0	0	0	0	0	112.7	Y324	G322-Y324 WeakPolarHBondContact O-CD2 3.27Å
323	G	77.4	Confident	86.4	Confident	57 Å²	57	60.8 Å²	60.8	59%	0.588	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	26.1	178.9	0	0	0	0	0	114.7
324	Y	87	Confident	85.9	Confident	27 Å²	27	62.5 Å²	62.5	11%	0.106	34%	0.34	C	S	.	.			trans	-122.8	148.1	171.8	-66.6	-89.1	0	0	0	110.5	V312 R314 Q321 G322 A326 R330 H331	V312-Y324 HydrophobicContact CG1-CD1 4.38Å; V312-Y324 HydrophobicContact CG1-CE1 4.16Å; V312-Y324 VanDerWaalsContact O-CD1 3.3Å; V312-Y324 WeakPolarHBondContact O-CD1 3.32Å; R314-Y324 HydrophobicContact CB-CD1 4.08Å; R314-Y324 HydrophobicContact CB-CD2 4.13Å; R314-Y324 HydrophobicContact CB-CE1 3.65Å; R314-Y324 HydrophobicContact CB-CE2 3.72Å; R314-Y324 HydrophobicContact CB-CG 4.3Å; R314-Y324 VanDerWaalsContact CB-CZ 3.46Å; R314-Y324 VanDerWaalsContact CD-OH 3.3Å; R314-Y324 WeakPolarHBondContact CD-OH 3.29Å; Q321-Y324 HydrophobicContact CB-CD2 3.88Å; Q321-Y324 HydrophobicContact CB-CE2 3.82Å; Q321-Y324 WeakPolarHBondContact O-CD2 2.87Å; G322-Y324 WeakPolarHBondContact O-CD2 3.27Å; Y324-A326 HydrophobicContact CD1-CB 3.74Å; Y324-A326 HydrophobicContact CE1-CB 3.94Å; Y324-R330 PolarHBondContact OH-NH2 2.69Å; Y324-H331 AromaticContact CE1-CE1 3.93Å; Y324-H331 AromaticContact CE1-NE2 3.36Å; Y324-H331 WeakPolarHBondContact CE1-NE2 3.17Å; Y324-H331 AromaticContact CZ-CE1 3.86Å; Y324-H331 AromaticContact CZ-NE2 3.62Å; Y324-H331 PolarHBondContact OH-CE1 3.28Å; Y324-H331 PolarHBondContact OH-NE2 3.35Å
325	P	92.1	Very high	85.9	Confident	33 Å²	33	62.4 Å²	62.4	21%	0.214	34%	0.341	C	S	.	.	S	Bend	cis	-63.5	147.9	4.4	23.5	-29.9	0	0	0	113.2	L286 Y311 V312 W313	L286-P325 HydrophobicContact CB-CG 4.3Å; L286-P325 HydrophobicContact CD2-CG 4.33Å; Y311-P325 HydrophobicContact CD1-CB 4.25Å; Y311-P325 HydrophobicContact CG-CB 4.41Å; V312-P325 WeakPolarHBondContact O-CA 3.5Å; W313-P325 HydrophobicContact CD2-CB 4.09Å; W313-P325 HydrophobicContact CH2-CB 4.36Å; W313-P325 HydrophobicContact CZ2-CB 3.76Å; W313-P325 HydrophobicContact CZ2-CG 4.02Å
326	A	88.2	Confident	86	Confident	7 Å²	7	62.8 Å²	62.8	6%	0.058	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	157	178.5	0	0	0	0	0	110.7	Y311 V312 Y324 S328	Y311-A326 CarbonylContact C-O 3.58Å; Y311-A326 VanDerWaalsContact CA-O 3.26Å; Y311-A326 WeakPolarHBondContact CA-O 3.43Å; V312-A326 PolarHBondContact N-O 3.21Å; V312-A326 PolarHBondContact O-N 3.21Å; Y324-A326 HydrophobicContact CD1-CB 3.74Å; Y324-A326 HydrophobicContact CE1-CB 3.94Å; A326-S328 PolarHBondContact O-N 3.39Å
327	L	87.6	Confident	86	Confident	72 Å²	72	65.2 Å²	65.2	38%	0.377	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	130.1	174	-65.6	175.4	0	0	0	111	Q310 Y311 S329 R330	Q310-L327 HydrophobicContact CB-CD2 4.15Å; Q310-L327 HydrophobicContact CG-CD2 3.68Å; Q310-L327 CarbonylContact O-C 3.5Å; Q310-L327 VanDerWaalsContact O-CA 3.3Å; Q310-L327 WeakPolarHBondContact O-CA 3.17Å; Y311-L327 HydrophobicContact CD1-CD2 4.29Å; Y311-L327 HydrophobicContact CE1-CD2 3.94Å; L327-S329 PolarHBondContact O-N 3.02Å; L327-R330 WeakPolarHBondContact O-CB 3.44Å; L327-R330 PolarHBondContact O-N 3.06Å
328	S	90.9	Very high	86.5	Confident	4 Å²	4	64.7 Å²	64.7	3%	0.028	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-58.5	-34.6	175.4	-59.7	0	0	0	0	111.3	Q310 A326 R330 H331 W332	Q310-S328 PolarHBondContact O-N 3.41Å; Q310-S328 PolarHBondContact O-OG 3.22Å; A326-S328 PolarHBondContact O-N 3.39Å; S328-R330 PolarHBondContact O-N 3.35Å; S328-R330 VanDerWaalsContact O-N 3.15Å; S328-H331 WeakPolarHBondContact O-CB 3.31Å; S328-H331 PolarHBondContact O-N 3.47Å; S328-W332 PolarHBondContact O-N 2.88Å
329	S	86.6	Confident	87.2	Confident	64 Å²	64	55.1 Å²	55.1	45%	0.448	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-61.8	-20.6	176.2	59.5	0	0	0	0	114.2	L327 H331 W332	L327-S329 PolarHBondContact O-N 3.02Å; S329-H331 PolarHBondContact O-N 2.7Å; S329-W332 WeakPolarHBondContact CA-O 3.01Å
330	R	81	Confident	87.8	Confident	103 Å²	103	47.4 Å²	47.4	39%	0.389	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-70.4	-21.6	173.6	-159.1	-174.7	66.5	-171.7	-4.9	112.4	Y324 L327 S328	Y324-R330 PolarHBondContact OH-NH2 2.69Å; L327-R330 WeakPolarHBondContact O-CB 3.44Å; L327-R330 PolarHBondContact O-N 3.06Å; S328-R330 PolarHBondContact O-N 3.35Å; S328-R330 VanDerWaalsContact O-N 3.15Å
331	H	82.1	Confident	88.2	Confident	5 Å²	5	44 Å²	44	2%	0.023	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-37.4	175.9	-70.6	-103.5	0	0	0	112	Y250 P251 F305 Y324 S328 S329 G364	Y250-H331 AromaticContact CE1-ND1 3.83Å; Y250-H331 PolarHBondContact OH-O 3.23Å; P251-H331 WeakPolarHBondContact CD-CE1 3.36Å; P251-H331 VanDerWaalsContact CG-CE1 3.45Å; P251-H331 WeakPolarHBondContact CG-CE1 3.34Å; P251-H331 WeakPolarHBondContact CG-ND1 3.45Å; F305-H331 AromaticContact CE1-CE1 3.7Å; F305-H331 AromaticContact CE1-ND1 3.9Å; Y324-H331 AromaticContact CE1-CE1 3.93Å; Y324-H331 AromaticContact CE1-NE2 3.36Å; Y324-H331 WeakPolarHBondContact CE1-NE2 3.17Å; Y324-H331 AromaticContact CZ-CE1 3.86Å; Y324-H331 AromaticContact CZ-NE2 3.62Å; Y324-H331 PolarHBondContact OH-CE1 3.28Å; Y324-H331 PolarHBondContact OH-NE2 3.35Å; S328-H331 WeakPolarHBondContact O-CB 3.31Å; S328-H331 PolarHBondContact O-N 3.47Å; S329-H331 PolarHBondContact O-N 2.7Å; H331-G364 WeakPolarHBondContact O-CA 3.46Å
332	W	90.8	Very high	88.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-131	95.2	-173.3	-60.6	-70.5	0	0	0	109.3	Y250 I300 F305 F307 V312 S328 S329 G334 I335 I350 F352 F361 A363	Y250-W332 HydrophobicContact CE1-CZ2 4.37Å; I300-W332 HydrophobicContact CD1-CH2 3.79Å; I300-W332 HydrophobicContact CD1-CZ2 3.56Å; I300-W332 HydrophobicContact CG2-CZ2 4.12Å; F305-W332 AromaticContact CD1-CH2 3.74Å; F305-W332 HydrophobicContact CD1-CH2 3.74Å; F305-W332 AromaticContact CE1-CH2 3.98Å; F305-W332 HydrophobicContact CE1-CH2 3.98Å; F305-W332 HydrophobicContact CG-CH2 4.12Å; F307-W332 AromaticContact CE1-CE3 3.98Å; F307-W332 HydrophobicContact CE1-CE3 3.98Å; F307-W332 AromaticContact CE1-CH2 3.91Å; F307-W332 HydrophobicContact CE1-CH2 3.91Å; F307-W332 AromaticContact CE1-CZ3 3.3Å; F307-W332 HydrophobicContact CE1-CZ3 3.3Å; F307-W332 HydrophobicContact CZ-CE3 4.34Å; F307-W332 AromaticContact CZ-CH2 3.52Å; F307-W332 HydrophobicContact CZ-CH2 3.52Å; F307-W332 HydrophobicContact CZ-CZ2 4.48Å; F307-W332 AromaticContact CZ-CZ3 3.45Å; F307-W332 HydrophobicContact CZ-CZ3 3.45Å; F307-W332 VanDerWaalsContact CZ-CZ3 3.45Å; V312-W332 HydrophobicContact CG2-CZ3 4.4Å; S328-W332 PolarHBondContact O-N 2.88Å; S329-W332 WeakPolarHBondContact CA-O 3.01Å; W332-G334 PolarHBondContact O-N 2.92Å; W332-I335 HydrophobicContact CB-CB 3.83Å; W332-I335 HydrophobicContact CB-CD1 4.08Å; W332-I335 HydrophobicContact CB-CG1 4.45Å; W332-I335 HydrophobicContact CB-CG2 4.14Å; W332-I335 HydrophobicContact CD2-CD1 4.34Å; W332-I335 HydrophobicContact CE3-CD1 3.92Å; W332-I335 HydrophobicContact CG-CD1 4.42Å; W332-I335 WeakPolarHBondContact O-CB 3.18Å; W332-I335 WeakPolarHBondContact O-CG2 3.24Å; W332-I335 PolarHBondContact O-N 3Å; W332-I350 HydrophobicContact CZ2-CD1 4.39Å; W332-F352 HydrophobicContact CB-CE2 4.16Å; W332-F352 AromaticContact CD1-CE2 3.78Å; W332-F352 AromaticContact CD2-CE2 3.87Å; W332-F352 HydrophobicContact CD2-CE2 3.87Å; W332-F352 AromaticContact CD2-CZ 3.46Å; W332-F352 HydrophobicContact CD2-CZ 3.46Å; W332-F352 VanDerWaalsContact CD2-CZ 3.46Å; W332-F352 AromaticContact CE2-CZ 3.61Å; W332-F352 HydrophobicContact CE3-CE2 4.5Å; W332-F352 AromaticContact CE3-CZ 3.81Å; W332-F352 HydrophobicContact CE3-CZ 3.81Å; W332-F352 AromaticContact CG-CE2 3.65Å; W332-F352 HydrophobicContact CG-CE2 3.65Å; W332-F352 AromaticContact CG-CZ 3.8Å; W332-F352 HydrophobicContact CG-CZ 3.8Å; W332-F352 HydrophobicContact CH2-CZ 4.41Å; W332-F352 HydrophobicContact CZ2-CZ 4.1Å; W332-F352 HydrophobicContact CZ3-CZ 4.29Å; W332-F352 AromaticContact NE1-CZ 3.93Å; W332-F361 HydrophobicContact CB-CD1 3.8Å; W332-F361 HydrophobicContact CB-CE1 3.64Å; W332-F361 HydrophobicContact CB-CG 4.46Å; W332-F361 HydrophobicContact CB-CZ 4.17Å; W332-F361 AromaticContact CD1-CD1 3.89Å; W332-F361 HydrophobicContact CG-CD1 4.23Å; W332-A363 PolarHBondContact NE1-O 2.9Å
333	S	82.8	Confident	89.6	Confident	89 Å²	89	38.3 Å²	38.3	62%	0.622	23%	0.226	S	C	*	.	B	Isolated β-bridge	trans	-64.5	119.2	-174.5	-174.6	0	0	0	0	110.9	F361 G364	S333-F361 WeakPolarHBondContact O-CE1 3.47Å; S333-G364 PolarHBondContact N-O 2.93Å
334	G	84.9	Confident	90.3	Very high	40 Å²	40	36.8 Å²	36.8	41%	0.412	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	18.7	-176.7	0	0	0	0	0	114.9	W332 R366	W332-G334 PolarHBondContact O-N 2.92Å; G334-R366 PolarHBondContact O-NH1 2.86Å
335	I	93.1	Very high	90.4	Very high	12 Å²	12	35.8 Å²	35.8	6%	0.062	20%	0.2	C	C	.	.			trans	-63.4	146.5	162.5	-165.8	172.6	0	0	0	109.9	W332 I339 F352 F361	W332-I335 HydrophobicContact CB-CB 3.83Å; W332-I335 HydrophobicContact CB-CD1 4.08Å; W332-I335 HydrophobicContact CB-CG1 4.45Å; W332-I335 HydrophobicContact CB-CG2 4.14Å; W332-I335 HydrophobicContact CD2-CD1 4.34Å; W332-I335 HydrophobicContact CE3-CD1 3.92Å; W332-I335 HydrophobicContact CG-CD1 4.42Å; W332-I335 WeakPolarHBondContact O-CB 3.18Å; W332-I335 WeakPolarHBondContact O-CG2 3.24Å; W332-I335 PolarHBondContact O-N 3Å; I335-I339 HydrophobicContact CD1-CG2 4.26Å; I335-I339 HydrophobicContact CG1-CG2 4.26Å; I335-F352 HydrophobicContact CD1-CD1 3.85Å; I335-F352 HydrophobicContact CD1-CD2 3.8Å; I335-F352 HydrophobicContact CD1-CE1 3.73Å; I335-F352 HydrophobicContact CD1-CE2 3.69Å; I335-F352 HydrophobicContact CD1-CG 3.88Å; I335-F352 HydrophobicContact CD1-CZ 3.64Å; I335-F352 HydrophobicContact CG1-CD2 4.13Å; I335-F352 HydrophobicContact CG1-CE2 4.38Å; I335-F352 HydrophobicContact CG1-CG 4.27Å; I335-F361 HydrophobicContact CB-CZ 4.12Å
336	P	92.6	Very high	90.1	Very high	18 Å²	18	38.2 Å²	38.2	12%	0.117	21%	0.207	C	C	.	.			trans	-61.3	157.6	171.7	-22.8	34	0	0	0	113.5	Y338 W359	P336-Y338 PolarHBondContact O-N 2.93Å; P336-Y338 VanDerWaalsContact O-N 3.15Å; P336-W359 HydrophobicContact CB-CH2 4.48Å; P336-W359 HydrophobicContact CG-CD2 3.84Å; P336-W359 HydrophobicContact CG-CE3 3.8Å; P336-W359 HydrophobicContact CG-CH2 3.43Å; P336-W359 VanDerWaalsContact CG-CH2 3.43Å; P336-W359 HydrophobicContact CG-CZ2 3.39Å; P336-W359 HydrophobicContact CG-CZ3 3.66Å
337	D	87.7	Confident	89.9	Confident	118 Å²	118	41.5 Å²	41.5	63%	0.631	23%	0.229	S	C	*	.	S	Bend	trans	-65.4	-14.3	179.7	-65.6	-20.5	0	0	0	113.6	S309 Q310	S309-D337 CarbonylContact C-O 3.57Å; Q310-D337 WeakPolarHBondContact CA-O 3.31Å; Q310-D337 WeakPolarHBondContact CB-O 3.33Å; Q310-D337 PolarHBondContact N-O 2.7Å
338	Y	92.5	Very high	89.7	Confident	117 Å²	117	38.6 Å²	38.6	46%	0.459	22%	0.217	S	C	.	.			trans	-154.1	158.4	167.9	70.3	-88	0	0	0	108.9	P336 Q354	P336-Y338 PolarHBondContact O-N 2.93Å; P336-Y338 VanDerWaalsContact O-N 3.15Å; Y338-Q354 VanDerWaalsContact CD1-NE2 3.31Å; Y338-Q354 HydrophobicContact CD2-CG 4.18Å; Y338-Q354 HydrophobicContact CE2-CG 3.77Å; Y338-Q354 VanDerWaalsContact CZ-NE2 3.28Å; Y338-Q354 VanDerWaalsContact O-CD 3.26Å; Y338-Q354 WeakPolarHBondContact O-CG 3.48Å; Y338-Q354 PolarHBondContact O-NE2 3Å
339	I	97	Very high	89.7	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.015	22%	0.223	C	C	.	.			trans	-135.4	149.9	-179.6	57.8	166.4	0	0	0	109.2	D295 A296 F307 I335 A342 F352 F353	D295-I339 WeakPolarHBondContact CB-O 3.38Å; A296-I339 HydrophobicContact CB-CD1 3.76Å; A296-I339 HydrophobicContact CB-CG1 3.89Å; F307-I339 HydrophobicContact CB-CD1 4.05Å; F307-I339 HydrophobicContact CB-CG1 4.06Å; F307-I339 HydrophobicContact CD1-CD1 3.54Å; F307-I339 HydrophobicContact CD1-CG1 4.12Å; F307-I339 HydrophobicContact CD2-CD1 3.94Å; F307-I339 HydrophobicContact CE1-CD1 3.83Å; F307-I339 HydrophobicContact CE2-CD1 4.23Å; F307-I339 HydrophobicContact CG-CD1 3.58Å; F307-I339 HydrophobicContact CG-CG1 4.12Å; F307-I339 HydrophobicContact CZ-CD1 4.18Å; I335-I339 HydrophobicContact CD1-CG2 4.26Å; I335-I339 HydrophobicContact CG1-CG2 4.26Å; I339-A342 HydrophobicContact CD1-CB 3.99Å; I339-F352 HydrophobicContact CD1-CD1 3.49Å; I339-F352 VanDerWaalsContact CD1-CD1 3.49Å; I339-F352 HydrophobicContact CD1-CE1 3.86Å; I339-F352 HydrophobicContact CG2-CB 4.09Å; I339-F352 HydrophobicContact CG2-CD1 4.21Å; I339-F352 HydrophobicContact CG2-CG 4.41Å; I339-F353 CarbonylContact C-O 3.45Å; I339-F353 WeakPolarHBondContact CA-O 3.26Å
340	D	97.1	Very high	90.1	Very high	31 Å²	31	36.8 Å²	36.8	17%	0.166	20%	0.202	C	C	.	.	S	Bend	trans	-96.5	-25.6	-179.5	-52.8	-33.7	0	0	0	112	D295 F353 Q354 G355 I383 Q384	D295-D340 CarbonylContact O-C 3.57Å; D340-F353 PolarHBondContact N-O 2.95Å; D340-Q354 WeakPolarHBondContact OD2-CA 3.23Å; D340-G355 PolarHBondContact OD2-N 2.91Å; D340-I383 CarbonylContact C-O 3.54Å; D340-I383 WeakPolarHBondContact CB-O 3.39Å; D340-Q384 CarbonylContact O-C 3.59Å
341	A	97.6	Very high	90.8	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	156.8	176.7	0	0	0	0	0	111.3	F353 I383 A386	A341-F353 HydrophobicContact CB-CB 4.17Å; A341-F353 HydrophobicContact CB-CD2 4.04Å; A341-F353 HydrophobicContact CB-CG 4.44Å; A341-F353 PolarHBondContact O-N 3.49Å; A341-I383 HydrophobicContact CB-CG2 4.17Å; A341-A386 HydrophobicContact CB-CB 4Å
342	A	97.3	Very high	91.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	146.7	172.9	0	0	0	0	0	113.1	S298 I339 W351 F352	S298-A342 WeakPolarHBondContact CB-O 3.23Å; S298-A342 PolarHBondContact OG-O 3.03Å; I339-A342 HydrophobicContact CD1-CB 3.99Å; A342-W351 WeakPolarHBondContact CA-O 3.43Å; A342-F352 HydrophobicContact CB-CD1 3.68Å; A342-F352 HydrophobicContact CB-CE1 3.85Å
343	Y	95.5	Very high	91.8	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	155.1	167.3	78.7	-85.1	0	0	0	111.6	S298 D345 W351 F353 A386 R388 V397 F408	S298-Y343 VanDerWaalsContact OG-CA 3.26Å; S298-Y343 WeakPolarHBondContact OG-CA 3.43Å; Y343-D345 HydrophobicContact CE2-CB 4.05Å; Y343-W351 HydrophobicContact CD1-CB 3.84Å; Y343-W351 HydrophobicContact CD1-CG 4.43Å; Y343-W351 HydrophobicContact CE1-CB 3.5Å; Y343-W351 VanDerWaalsContact CE1-CB 3.5Å; Y343-W351 HydrophobicContact CE1-CD2 4.23Å; Y343-W351 AromaticContact CE1-CG 3.72Å; Y343-W351 HydrophobicContact CE1-CG 3.72Å; Y343-W351 HydrophobicContact CE2-CB 4.5Å; Y343-W351 AromaticContact CE2-CD1 3.85Å; Y343-W351 HydrophobicContact CE2-CG 4.16Å; Y343-W351 HydrophobicContact CG-CB 4.48Å; Y343-W351 AromaticContact CZ-CD1 3.66Å; Y343-W351 AromaticContact CZ-CD2 3.93Å; Y343-W351 AromaticContact CZ-CG 3.54Å; Y343-W351 PolarHBondContact N-O 2.83Å; Y343-W351 VanDerWaalsContact N-O 3.11Å; Y343-W351 PolarHBondContact O-N 2.85Å; Y343-F353 AromaticContact CD1-CE2 3.79Å; Y343-F353 HydrophobicContact CD1-CE2 3.79Å; Y343-F353 HydrophobicContact CD1-CZ 4.42Å; Y343-F353 AromaticContact CE1-CE2 3.67Å; Y343-F353 HydrophobicContact CE1-CE2 3.67Å; Y343-F353 AromaticContact CE1-CZ 3.85Å; Y343-F353 HydrophobicContact CE1-CZ 3.85Å; Y343-A386 HydrophobicContact CD1-CB 3.76Å; Y343-A386 HydrophobicContact CG-CB 4.36Å; Y343-R388 HydrophobicContact CD2-CB 4.46Å; Y343-V397 HydrophobicContact CD1-CG1 3.96Å; Y343-V397 HydrophobicContact CD2-CG1 4.26Å; Y343-V397 HydrophobicContact CD2-CG2 3.95Å; Y343-V397 HydrophobicContact CE1-CG1 3.87Å; Y343-V397 HydrophobicContact CE2-CG1 4.21Å; Y343-V397 HydrophobicContact CE2-CG2 3.63Å; Y343-V397 HydrophobicContact CG-CG1 4.15Å; Y343-F408 WeakPolarHBondContact OH-CE1 3.41Å
344	E	92.7	Very high	92.5	Very high	24 Å²	24	29.6 Å²	29.6	11%	0.112	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.5	169.7	-176.7	-176.7	-158.1	0	0	109.7	I300 R301 N349 I350 R388	I300-E344 WeakPolarHBondContact CA-OE2 3.44Å; R301-E344 PolarHBondContact N-OE2 2.63Å; E344-N349 CarbonylContact C-O 3.5Å; E344-N349 WeakPolarHBondContact CA-O 3.36Å; E344-I350 HydrophobicContact CG-CG1 4.33Å; E344-R388 WeakPolarHBondContact O-CD 3.38Å
345	D	89.2	Confident	93	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.032	15%	0.151	C	C	.	.			trans	-83.3	169.5	176.9	71	30.2	0	0	0	113	Y343 S347 G348 N349 W351 E395 V410	Y343-D345 HydrophobicContact CE2-CB 4.05Å; D345-S347 PolarHBondContact O-N 2.89Å; D345-S347 VanDerWaalsContact O-N 3.1Å; D345-S347 VanDerWaalsContact OD1-CA 3.23Å; D345-S347 WeakPolarHBondContact OD1-CA 3.2Å; D345-S347 VanDerWaalsContact OD1-CB 3.23Å; D345-S347 WeakPolarHBondContact OD1-CB 3.49Å; D345-S347 PolarHBondContact OD1-N 3.26Å; D345-G348 PolarHBondContact O-N 2.85Å; D345-G348 PolarHBondContact OD1-N 2.95Å; D345-N349 PolarHBondContact N-O 2.79Å; D345-N349 PolarHBondContact OD1-N 2.82Å; D345-N349 PolarHBondContact OD1-ND2 2.99Å; D345-N349 VanDerWaalsContact OD2-CB 3.3Å; D345-N349 WeakPolarHBondContact OD2-CB 3.48Å; D345-N349 PolarHBondContact OD2-ND2 2.9Å; D345-W351 PolarHBondContact OD2-NE1 2.84Å; D345-W351 VanDerWaalsContact OD2-NE1 3.1Å; D345-E395 WeakPolarHBondContact CA-OE1 3.26Å; D345-V410 HydrophobicContact CB-CG1 4.22Å
346	K	84.8	Confident	93.2	Very high	85 Å²	85	32.2 Å²	32.2	37%	0.37	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.3	177.2	-82.7	-175.6	179.7	170.9	0	114.7	G348 E390 R393 E395	K346-G348 VanDerWaalsContact C-N 3.27Å; K346-E390 WeakPolarHBondContact CE-OE1 3.5Å; K346-E390 IonicContact NZ-OE1 3.7Å; K346-R393 PolarHBondContact NZ-O 2.8Å; K346-E395 WeakPolarHBondContact CB-OE2 3.46Å; K346-E395 HydrophobicContact CD-CB 3.8Å; K346-E395 HydrophobicContact CG-CB 4.2Å; K346-E395 HydrophobicContact CG-CG 4.41Å; K346-E395 PolarHBondContact N-OE1 3.12Å; K346-E395 PolarHBondContact N-OE2 3.02Å
347	S	84.2	Confident	93.4	Very high	75 Å²	75	32.4 Å²	32.4	52%	0.524	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6	176.5	-52.3	0	0	0	0	112.2	K134 D345	K134-S347 PolarHBondContact NZ-O 2.73Å; D345-S347 PolarHBondContact O-N 2.89Å; D345-S347 VanDerWaalsContact O-N 3.1Å; D345-S347 VanDerWaalsContact OD1-CA 3.23Å; D345-S347 WeakPolarHBondContact OD1-CA 3.2Å; D345-S347 VanDerWaalsContact OD1-CB 3.23Å; D345-S347 WeakPolarHBondContact OD1-CB 3.49Å; D345-S347 PolarHBondContact OD1-N 3.26Å
348	G	84	Confident	93.8	Very high	12 Å²	12	27.7 Å²	27.7	12%	0.124	15%	0.147	C	C	.	.	S	Bend	trans	82.9	13.7	-176.4	0	0	0	0	0	113.7	D345 K346	D345-G348 PolarHBondContact O-N 2.85Å; D345-G348 PolarHBondContact OD1-N 2.95Å; K346-G348 VanDerWaalsContact C-N 3.27Å
349	N	90.9	Very high	94	Very high	29 Å²	29	23 Å²	23	16%	0.155	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	141.3	172.1	-44.1	-59.2	0	0	0	109.9	E344 D345 V360 F361	E344-N349 CarbonylContact C-O 3.5Å; E344-N349 WeakPolarHBondContact CA-O 3.36Å; D345-N349 PolarHBondContact N-O 2.79Å; D345-N349 PolarHBondContact OD1-N 2.82Å; D345-N349 PolarHBondContact OD1-ND2 2.99Å; D345-N349 VanDerWaalsContact OD2-CB 3.3Å; D345-N349 WeakPolarHBondContact OD2-CB 3.48Å; D345-N349 PolarHBondContact OD2-ND2 2.9Å; N349-V360 HydrophobicContact CB-CG1 3.74Å; N349-F361 CarbonylContact C-O 3.59Å; N349-F361 WeakPolarHBondContact CA-O 3.39Å; N349-F361 WeakPolarHBondContact CB-O 3.43Å
350	I	94.4	Very high	93.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	120.5	-176	-53.1	160.9	0	0	0	107.8	I300 W332 E344 F352 V360 F361	I300-I350 HydrophobicContact CD1-CG2 3.83Å; I300-I350 HydrophobicContact CG1-CG2 4.16Å; I300-I350 HydrophobicContact CG2-CD1 3.45Å; I300-I350 VanDerWaalsContact CG2-CD1 3.45Å; I300-I350 HydrophobicContact CG2-CG1 3.87Å; W332-I350 HydrophobicContact CZ2-CD1 4.39Å; E344-I350 HydrophobicContact CG-CG1 4.33Å; I350-F352 HydrophobicContact CB-CE2 4.29Å; I350-F352 HydrophobicContact CB-CZ 4.45Å; I350-F352 HydrophobicContact CG2-CD2 4.33Å; I350-F352 HydrophobicContact CG2-CE1 3.92Å; I350-F352 HydrophobicContact CG2-CE2 3.58Å; I350-F352 HydrophobicContact CG2-CZ 3.35Å; I350-V360 WeakPolarHBondContact O-CA 3.33Å; I350-F361 HydrophobicContact CB-CB 4.28Å; I350-F361 PolarHBondContact N-O 3.21Å; I350-F361 PolarHBondContact O-N 2.64Å
351	W	95.9	Very high	93.7	Very high	10 Å²	10	21.8 Å²	21.8	4%	0.038	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.7	-178.6	-68.9	70.2	0	0	0	109.3	A342 Y343 D345 F353 Y358 W359 V360 L376 F408	A342-W351 WeakPolarHBondContact CA-O 3.43Å; Y343-W351 HydrophobicContact CD1-CB 3.84Å; Y343-W351 HydrophobicContact CD1-CG 4.43Å; Y343-W351 HydrophobicContact CE1-CB 3.5Å; Y343-W351 VanDerWaalsContact CE1-CB 3.5Å; Y343-W351 HydrophobicContact CE1-CD2 4.23Å; Y343-W351 AromaticContact CE1-CG 3.72Å; Y343-W351 HydrophobicContact CE1-CG 3.72Å; Y343-W351 HydrophobicContact CE2-CB 4.5Å; Y343-W351 AromaticContact CE2-CD1 3.85Å; Y343-W351 HydrophobicContact CE2-CG 4.16Å; Y343-W351 HydrophobicContact CG-CB 4.48Å; Y343-W351 AromaticContact CZ-CD1 3.66Å; Y343-W351 AromaticContact CZ-CD2 3.93Å; Y343-W351 AromaticContact CZ-CG 3.54Å; Y343-W351 PolarHBondContact N-O 2.83Å; Y343-W351 VanDerWaalsContact N-O 3.11Å; Y343-W351 PolarHBondContact O-N 2.85Å; D345-W351 PolarHBondContact OD2-NE1 2.84Å; D345-W351 VanDerWaalsContact OD2-NE1 3.1Å; W351-F353 HydrophobicContact CB-CE2 3.98Å; W351-F353 HydrophobicContact CB-CZ 4.33Å; W351-F353 HydrophobicContact CE3-CZ 4.25Å; W351-Y358 AromaticContact CE3-CD2 3.69Å; W351-Y358 HydrophobicContact CE3-CD2 3.69Å; W351-Y358 AromaticContact CE3-CE2 4Å; W351-Y358 HydrophobicContact CE3-CE2 4Å; W351-Y358 HydrophobicContact CH2-CE2 4.14Å; W351-Y358 AromaticContact CZ3-CD2 3.54Å; W351-Y358 HydrophobicContact CZ3-CD2 3.54Å; W351-Y358 AromaticContact CZ3-CE2 3.35Å; W351-Y358 HydrophobicContact CZ3-CE2 3.35Å; W351-Y358 HydrophobicContact CZ3-CG 4.49Å; W351-W359 WeakPolarHBondContact CA-O 3.5Å; W351-V360 HydrophobicContact CD2-CG1 4.35Å; W351-V360 HydrophobicContact CD2-CG2 3.72Å; W351-V360 HydrophobicContact CE3-CG2 3.66Å; W351-V360 HydrophobicContact CG-CG2 4.46Å; W351-V360 HydrophobicContact CH2-CG2 3.82Å; W351-V360 HydrophobicContact CZ2-CG1 4.33Å; W351-V360 HydrophobicContact CZ2-CG2 3.86Å; W351-V360 HydrophobicContact CZ3-CG2 3.72Å; W351-L376 HydrophobicContact CZ3-CD1 4.34Å; W351-L376 HydrophobicContact CZ3-CD2 4.22Å; W351-F408 HydrophobicContact CH2-CZ 4.43Å
352	F	97.5	Very high	93	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.3	174.9	-64.7	-66.3	0	0	0	109.9	I300 F307 W332 I335 I339 A342 I350 Y358 W359 F361	I300-F352 HydrophobicContact CD1-CE1 4.48Å; I300-F352 HydrophobicContact CD1-CZ 4.47Å; F307-F352 AromaticContact CE1-CE1 3.98Å; F307-F352 HydrophobicContact CE1-CE1 3.98Å; F307-F352 AromaticContact CZ-CE1 3.78Å; F307-F352 HydrophobicContact CZ-CE1 3.78Å; F307-F352 HydrophobicContact CZ-CZ 4.39Å; W332-F352 HydrophobicContact CB-CE2 4.16Å; W332-F352 AromaticContact CD1-CE2 3.78Å; W332-F352 AromaticContact CD2-CE2 3.87Å; W332-F352 HydrophobicContact CD2-CE2 3.87Å; W332-F352 AromaticContact CD2-CZ 3.46Å; W332-F352 HydrophobicContact CD2-CZ 3.46Å; W332-F352 VanDerWaalsContact CD2-CZ 3.46Å; W332-F352 AromaticContact CE2-CZ 3.61Å; W332-F352 HydrophobicContact CE3-CE2 4.5Å; W332-F352 AromaticContact CE3-CZ 3.81Å; W332-F352 HydrophobicContact CE3-CZ 3.81Å; W332-F352 AromaticContact CG-CE2 3.65Å; W332-F352 HydrophobicContact CG-CE2 3.65Å; W332-F352 AromaticContact CG-CZ 3.8Å; W332-F352 HydrophobicContact CG-CZ 3.8Å; W332-F352 HydrophobicContact CH2-CZ 4.41Å; W332-F352 HydrophobicContact CZ2-CZ 4.1Å; W332-F352 HydrophobicContact CZ3-CZ 4.29Å; W332-F352 AromaticContact NE1-CZ 3.93Å; I335-F352 HydrophobicContact CD1-CD1 3.85Å; I335-F352 HydrophobicContact CD1-CD2 3.8Å; I335-F352 HydrophobicContact CD1-CE1 3.73Å; I335-F352 HydrophobicContact CD1-CE2 3.69Å; I335-F352 HydrophobicContact CD1-CG 3.88Å; I335-F352 HydrophobicContact CD1-CZ 3.64Å; I335-F352 HydrophobicContact CG1-CD2 4.13Å; I335-F352 HydrophobicContact CG1-CE2 4.38Å; I335-F352 HydrophobicContact CG1-CG 4.27Å; I339-F352 HydrophobicContact CD1-CD1 3.49Å; I339-F352 VanDerWaalsContact CD1-CD1 3.49Å; I339-F352 HydrophobicContact CD1-CE1 3.86Å; I339-F352 HydrophobicContact CG2-CB 4.09Å; I339-F352 HydrophobicContact CG2-CD1 4.21Å; I339-F352 HydrophobicContact CG2-CG 4.41Å; A342-F352 HydrophobicContact CB-CD1 3.68Å; A342-F352 HydrophobicContact CB-CE1 3.85Å; I350-F352 HydrophobicContact CB-CE2 4.29Å; I350-F352 HydrophobicContact CB-CZ 4.45Å; I350-F352 HydrophobicContact CG2-CD2 4.33Å; I350-F352 HydrophobicContact CG2-CE1 3.92Å; I350-F352 HydrophobicContact CG2-CE2 3.58Å; I350-F352 HydrophobicContact CG2-CZ 3.35Å; F352-Y358 CarbonylContact O-C 3.5Å; F352-Y358 WeakPolarHBondContact O-CA 3.43Å; F352-Y358 WeakPolarHBondContact O-CB 3.45Å; F352-W359 PolarHBondContact N-O 3Å; F352-W359 PolarHBondContact O-N 2.98Å; F352-F361 AromaticContact CD2-CD2 3.51Å; F352-F361 HydrophobicContact CD2-CD2 3.51Å; F352-F361 AromaticContact CD2-CE2 3.78Å; F352-F361 HydrophobicContact CD2-CE2 3.78Å; F352-F361 HydrophobicContact CD2-CG 4.29Å; F352-F361 HydrophobicContact CE2-CB 4.4Å; F352-F361 AromaticContact CE2-CD2 3.78Å; F352-F361 HydrophobicContact CE2-CD2 3.78Å; F352-F361 HydrophobicContact CE2-CE2 4.23Å; F352-F361 HydrophobicContact CE2-CG 4.1Å
353	F	97.3	Very high	92.1	Very high	2 Å²	2	22 Å²	22	1%	0.009	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.3	179.5	-62.7	-85.2	0	0	0	110.1	I339 D340 A341 Y343 W351 Y358 L373 L376 A386 L399	I339-F353 CarbonylContact C-O 3.45Å; I339-F353 WeakPolarHBondContact CA-O 3.26Å; D340-F353 PolarHBondContact N-O 2.95Å; A341-F353 HydrophobicContact CB-CB 4.17Å; A341-F353 HydrophobicContact CB-CD2 4.04Å; A341-F353 HydrophobicContact CB-CG 4.44Å; A341-F353 PolarHBondContact O-N 3.49Å; Y343-F353 AromaticContact CD1-CE2 3.79Å; Y343-F353 HydrophobicContact CD1-CE2 3.79Å; Y343-F353 HydrophobicContact CD1-CZ 4.42Å; Y343-F353 AromaticContact CE1-CE2 3.67Å; Y343-F353 HydrophobicContact CE1-CE2 3.67Å; Y343-F353 AromaticContact CE1-CZ 3.85Å; Y343-F353 HydrophobicContact CE1-CZ 3.85Å; W351-F353 HydrophobicContact CB-CE2 3.98Å; W351-F353 HydrophobicContact CB-CZ 4.33Å; W351-F353 HydrophobicContact CE3-CZ 4.25Å; F353-Y358 HydrophobicContact CE1-CG 4.37Å; F353-L373 HydrophobicContact CD1-CD2 3.55Å; F353-L373 HydrophobicContact CE1-CD2 3.75Å; F353-L376 HydrophobicContact CE1-CD1 4.02Å; F353-A386 HydrophobicContact CE2-CB 4.38Å; F353-L399 HydrophobicContact CE2-CD2 4.3Å; F353-L399 HydrophobicContact CZ-CD2 4.21Å
354	Q	97.2	Very high	91.2	Very high	35 Å²	35	22.4 Å²	22.4	16%	0.164	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	121.3	173.6	-168.9	-165.9	34.4	0	0	109.2	Y338 D340 D356 S357 W359	Y338-Q354 VanDerWaalsContact CD1-NE2 3.31Å; Y338-Q354 HydrophobicContact CD2-CG 4.18Å; Y338-Q354 HydrophobicContact CE2-CG 3.77Å; Y338-Q354 VanDerWaalsContact CZ-NE2 3.28Å; Y338-Q354 VanDerWaalsContact O-CD 3.26Å; Y338-Q354 WeakPolarHBondContact O-CG 3.48Å; Y338-Q354 PolarHBondContact O-NE2 3Å; D340-Q354 WeakPolarHBondContact OD2-CA 3.23Å; Q354-D356 PolarHBondContact O-N 3.1Å; Q354-S357 PolarHBondContact N-O 3.41Å; Q354-S357 WeakPolarHBondContact O-CA 3.3Å; Q354-S357 PolarHBondContact O-N 2.86Å; Q354-S357 VanDerWaalsContact O-O 3.07Å; Q354-W359 HydrophobicContact CB-CH2 3.92Å; Q354-W359 HydrophobicContact CB-CZ3 3.54Å
355	G	95.6	Very high	90.5	Very high	16 Å²	16	25.1 Å²	25.1	17%	0.165	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-119	179.2	0	0	0	0	0	112.3	D340 L373 T381 D382	D340-G355 PolarHBondContact OD2-N 2.91Å; G355-L373 WeakPolarHBondContact O-CD1 3.33Å; G355-T381 CarbonylContact O-C 3.56Å; G355-D382 WeakPolarHBondContact CA-OD1 3.22Å; G355-D382 PolarHBondContact O-N 2.91Å
356	D	96.5	Very high	90.5	Very high	90 Å²	90	30.1 Å²	30.1	48%	0.481	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	7.1	178.4	73.4	-15.2	0	0	0	113.9	Q354 S372 L373 T381	Q354-D356 PolarHBondContact O-N 3.1Å; D356-S372 CarbonylContact O-C 3.58Å; D356-S372 WeakPolarHBondContact O-CA 3.18Å; D356-L373 PolarHBondContact O-N 2.83Å; D356-T381 HydrophobicContact CB-CG2 3.64Å
357	S	96.9	Very high	90.7	Very high	22 Å²	22	29.6 Å²	29.6	15%	0.154	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	155.2	-166.9	-66.7	0	0	0	0	112.7	Q354 D371	Q354-S357 PolarHBondContact N-O 3.41Å; Q354-S357 WeakPolarHBondContact O-CA 3.3Å; Q354-S357 PolarHBondContact O-N 2.86Å; Q354-S357 VanDerWaalsContact O-O 3.07Å; S357-D371 CarbonylContact C-O 3.42Å; S357-D371 VanDerWaalsContact CA-O 3.23Å; S357-D371 WeakPolarHBondContact CA-O 3.3Å
358	Y	96.5	Very high	91.1	Very high	20 Å²	20	28.3 Å²	28.3	8%	0.078	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	159.2	171.4	73.8	-86.6	0	0	0	112.2	W351 F352 F353 V360 D371 S372 L373 L376	W351-Y358 AromaticContact CE3-CD2 3.69Å; W351-Y358 HydrophobicContact CE3-CD2 3.69Å; W351-Y358 AromaticContact CE3-CE2 4Å; W351-Y358 HydrophobicContact CE3-CE2 4Å; W351-Y358 HydrophobicContact CH2-CE2 4.14Å; W351-Y358 AromaticContact CZ3-CD2 3.54Å; W351-Y358 HydrophobicContact CZ3-CD2 3.54Å; W351-Y358 AromaticContact CZ3-CE2 3.35Å; W351-Y358 HydrophobicContact CZ3-CE2 3.35Å; W351-Y358 HydrophobicContact CZ3-CG 4.49Å; F352-Y358 CarbonylContact O-C 3.5Å; F352-Y358 WeakPolarHBondContact O-CA 3.43Å; F352-Y358 WeakPolarHBondContact O-CB 3.45Å; F353-Y358 HydrophobicContact CE1-CG 4.37Å; Y358-V360 HydrophobicContact CD2-CG2 3.97Å; Y358-V360 HydrophobicContact CE2-CG2 3.86Å; Y358-D371 HydrophobicContact CD1-CB 3.94Å; Y358-D371 WeakPolarHBondContact CD1-O 2.81Å; Y358-D371 HydrophobicContact CD2-CB 4.41Å; Y358-D371 HydrophobicContact CE1-CB 3.37Å; Y358-D371 HydrophobicContact CE2-CB 3.88Å; Y358-D371 HydrophobicContact CG-CB 4.43Å; Y358-D371 PolarHBondContact N-O 2.88Å; Y358-D371 PolarHBondContact O-N 2.87Å; Y358-S372 WeakPolarHBondContact CE1-O 2.82Å; Y358-L373 HydrophobicContact CD1-CD2 4.12Å; Y358-L376 HydrophobicContact CD1-CD1 3.74Å; Y358-L376 HydrophobicContact CD1-CG 4.08Å; Y358-L376 HydrophobicContact CE1-CD1 3.76Å; Y358-L376 HydrophobicContact CE1-CD2 3.85Å; Y358-L376 HydrophobicContact CE1-CG 3.59Å; Y358-L376 HydrophobicContact CE2-CD2 4.41Å; Y358-L376 HydrophobicContact CG-CD1 4.17Å
359	W	96.4	Very high	91.4	Very high	18 Å²	18	28.7 Å²	28.7	7%	0.068	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.7	176.1	-62.7	-103	0	0	0	109.5	P336 W351 F352 Q354 F361 S368 P370	P336-W359 HydrophobicContact CB-CH2 4.48Å; P336-W359 HydrophobicContact CG-CD2 3.84Å; P336-W359 HydrophobicContact CG-CE3 3.8Å; P336-W359 HydrophobicContact CG-CH2 3.43Å; P336-W359 VanDerWaalsContact CG-CH2 3.43Å; P336-W359 HydrophobicContact CG-CZ2 3.39Å; P336-W359 HydrophobicContact CG-CZ3 3.66Å; W351-W359 WeakPolarHBondContact CA-O 3.5Å; F352-W359 PolarHBondContact N-O 3Å; F352-W359 PolarHBondContact O-N 2.98Å; Q354-W359 HydrophobicContact CB-CH2 3.92Å; Q354-W359 HydrophobicContact CB-CZ3 3.54Å; W359-F361 HydrophobicContact CB-CD2 4.1Å; W359-F361 HydrophobicContact CB-CE2 3.64Å; W359-F361 HydrophobicContact CG-CE2 4.32Å; W359-S368 WeakPolarHBondContact CA-O 3.43Å; W359-P370 HydrophobicContact CH2-CB 4.27Å; W359-P370 HydrophobicContact CZ2-CB 3.54Å; W359-P370 HydrophobicContact CZ2-CG 4.36Å
360	V	94.7	Very high	91.6	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.048	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.4	174.6	-168.3	0	0	0	0	108.2	N349 I350 W351 Y358 I367 S368	N349-V360 HydrophobicContact CB-CG1 3.74Å; I350-V360 WeakPolarHBondContact O-CA 3.33Å; W351-V360 HydrophobicContact CD2-CG1 4.35Å; W351-V360 HydrophobicContact CD2-CG2 3.72Å; W351-V360 HydrophobicContact CE3-CG2 3.66Å; W351-V360 HydrophobicContact CG-CG2 4.46Å; W351-V360 HydrophobicContact CH2-CG2 3.82Å; W351-V360 HydrophobicContact CZ2-CG1 4.33Å; W351-V360 HydrophobicContact CZ2-CG2 3.86Å; W351-V360 HydrophobicContact CZ3-CG2 3.72Å; Y358-V360 HydrophobicContact CD2-CG2 3.97Å; Y358-V360 HydrophobicContact CE2-CG2 3.86Å; V360-I367 HydrophobicContact CB-CD1 4.34Å; V360-I367 HydrophobicContact CB-CG1 3.94Å; V360-I367 HydrophobicContact CG1-CD1 3.74Å; V360-I367 HydrophobicContact CG1-CG1 3.84Å; V360-I367 WeakPolarHBondContact O-CG1 3.46Å; V360-I367 PolarHBondContact O-N 2.91Å; V360-S368 PolarHBondContact N-O 2.84Å; V360-S368 PolarHBondContact O-N 2.83Å; V360-S368 VanDerWaalsContact O-N 3.08Å
361	F	91.8	Very high	91.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143	179.3	-76.8	-107.9	0	0	0	110	W332 S333 I335 N349 I350 F352 W359 Q365 R366	W332-F361 HydrophobicContact CB-CD1 3.8Å; W332-F361 HydrophobicContact CB-CE1 3.64Å; W332-F361 HydrophobicContact CB-CG 4.46Å; W332-F361 HydrophobicContact CB-CZ 4.17Å; W332-F361 AromaticContact CD1-CD1 3.89Å; W332-F361 HydrophobicContact CG-CD1 4.23Å; S333-F361 WeakPolarHBondContact O-CE1 3.47Å; I335-F361 HydrophobicContact CB-CZ 4.12Å; N349-F361 CarbonylContact C-O 3.59Å; N349-F361 WeakPolarHBondContact CA-O 3.39Å; N349-F361 WeakPolarHBondContact CB-O 3.43Å; I350-F361 HydrophobicContact CB-CB 4.28Å; I350-F361 PolarHBondContact N-O 3.21Å; I350-F361 PolarHBondContact O-N 2.64Å; F352-F361 AromaticContact CD2-CD2 3.51Å; F352-F361 HydrophobicContact CD2-CD2 3.51Å; F352-F361 AromaticContact CD2-CE2 3.78Å; F352-F361 HydrophobicContact CD2-CE2 3.78Å; F352-F361 HydrophobicContact CD2-CG 4.29Å; F352-F361 HydrophobicContact CE2-CB 4.4Å; F352-F361 AromaticContact CE2-CD2 3.78Å; F352-F361 HydrophobicContact CE2-CD2 3.78Å; F352-F361 HydrophobicContact CE2-CE2 4.23Å; F352-F361 HydrophobicContact CE2-CG 4.1Å; W359-F361 HydrophobicContact CB-CD2 4.1Å; W359-F361 HydrophobicContact CB-CE2 3.64Å; W359-F361 HydrophobicContact CG-CE2 4.32Å; F361-Q365 CarbonylContact C-O 3.5Å; F361-Q365 VanDerWaalsContact CA-O 3.24Å; F361-Q365 WeakPolarHBondContact CA-O 3.41Å; F361-Q365 VanDerWaalsContact CD1-C 3.41Å; F361-R366 HydrophobicContact CD1-CB 4.08Å; F361-R366 HydrophobicContact CE1-CB 3.61Å; F361-R366 HydrophobicContact CE1-CG 4.46Å; F361-R366 HydrophobicContact CE2-CB 4.16Å; F361-R366 HydrophobicContact CE2-CG 4.13Å; F361-R366 HydrophobicContact CZ-CB 3.67Å; F361-R366 HydrophobicContact CZ-CG 4.06Å
362	D	83.8	Confident	91.6	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.037	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.6	163.2	-176.5	14.1	0	0	0	105.6	K134 R137 G364 Q365 I367	K134-D362 WeakPolarHBondContact CE-OD1 3.18Å; K134-D362 IonicContact NZ-OD1 3.5Å; R137-D362 IonicContact CZ-OD2 3.24Å; R137-D362 IonicContact NE-OD2 2.73Å; R137-D362 PolarHBondContact NE-OD2 3.19Å; R137-D362 VanDerWaalsContact NE-OD2 3.12Å; R137-D362 IonicContact NH2-OD2 2.66Å; R137-D362 PolarHBondContact NH2-OD2 2.84Å; D362-G364 PolarHBondContact O-N 3.21Å; D362-Q365 PolarHBondContact N-O 2.9Å; D362-Q365 PolarHBondContact O-N 3.37Å; D362-Q365 VanDerWaalsContact O-N 3.11Å; D362-I367 HydrophobicContact CB-CD1 4.37Å; D362-I367 HydrophobicContact CB-CG2 3.76Å
363	A	78.1	Confident	91.4	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.017	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-130.5	-166.9	0	0	0	0	0	113.4	E141 V210 Y250 W332 Q365	E141-A363 WeakPolarHBondContact OE2-CB 3.35Å; V210-A363 HydrophobicContact CG1-CB 4.46Å; Y250-A363 PolarHBondContact OH-O 3.34Å; W332-A363 PolarHBondContact NE1-O 2.9Å; A363-Q365 VanDerWaalsContact C-N 3.29Å
364	G	76.9	Confident	91.2	Very high	10 Å²	10	41.2 Å²	41.2	10%	0.103	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.6	177.9	0	0	0	0	0	114	Y250 H331 S333 D362	Y250-G364 PolarHBondContact OH-N 3.11Å; H331-G364 WeakPolarHBondContact O-CA 3.46Å; S333-G364 PolarHBondContact N-O 2.93Å; D362-G364 PolarHBondContact O-N 3.21Å
365	Q	77.8	Confident	90.9	Very high	80 Å²	80	47.2 Å²	47.2	37%	0.374	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.4	-173.5	-168	178.3	16.1	0	0	111.8	F361 D362 A363 I367	F361-Q365 CarbonylContact C-O 3.5Å; F361-Q365 VanDerWaalsContact CA-O 3.24Å; F361-Q365 WeakPolarHBondContact CA-O 3.41Å; F361-Q365 VanDerWaalsContact CD1-C 3.41Å; D362-Q365 PolarHBondContact N-O 2.9Å; D362-Q365 PolarHBondContact O-N 3.37Å; D362-Q365 VanDerWaalsContact O-N 3.11Å; A363-Q365 VanDerWaalsContact C-N 3.29Å; Q365-I367 PolarHBondContact O-N 2.96Å
366	R	88.5	Confident	90.8	Very high	112 Å²	112	46.5 Å²	46.5	42%	0.423	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	119.7	171	-176.4	175.5	61	-162	12.2	110.2	G334 F361 S368	G334-R366 PolarHBondContact O-NH1 2.86Å; F361-R366 HydrophobicContact CD1-CB 4.08Å; F361-R366 HydrophobicContact CE1-CB 3.61Å; F361-R366 HydrophobicContact CE1-CG 4.46Å; F361-R366 HydrophobicContact CE2-CB 4.16Å; F361-R366 HydrophobicContact CE2-CG 4.13Å; F361-R366 HydrophobicContact CZ-CB 3.67Å; F361-R366 HydrophobicContact CZ-CG 4.06Å; R366-S368 VanDerWaalsContact CG-O 3.31Å; R366-S368 WeakPolarHBondContact CG-O 3.37Å
367	I	90.6	Very high	90.5	Very high	74 Å²	74	43.3 Å²	43.3	38%	0.379	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-26.1	175.1	61.3	166	0	0	0	112.9	V360 D362 Q365	V360-I367 HydrophobicContact CB-CD1 4.34Å; V360-I367 HydrophobicContact CB-CG1 3.94Å; V360-I367 HydrophobicContact CG1-CD1 3.74Å; V360-I367 HydrophobicContact CG1-CG1 3.84Å; V360-I367 WeakPolarHBondContact O-CG1 3.46Å; V360-I367 PolarHBondContact O-N 2.91Å; D362-I367 HydrophobicContact CB-CD1 4.37Å; D362-I367 HydrophobicContact CB-CG2 3.76Å; Q365-I367 PolarHBondContact O-N 2.96Å
368	S	91.6	Very high	90.2	Very high	48 Å²	48	42.5 Å²	42.5	34%	0.336	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	159.8	174.6	-153.3	0	0	0	0	112.1	W359 V360 R366 D371	W359-S368 WeakPolarHBondContact CA-O 3.43Å; V360-S368 PolarHBondContact N-O 2.84Å; V360-S368 PolarHBondContact O-N 2.83Å; V360-S368 VanDerWaalsContact O-N 3.08Å; R366-S368 VanDerWaalsContact CG-O 3.31Å; R366-S368 WeakPolarHBondContact CG-O 3.37Å; S368-D371 PolarHBondContact OG-OD2 2.72Å
369	G	90.5	Very high	89.9	Confident	20 Å²	20	45.5 Å²	45.5	21%	0.206	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	101.7	168	172.9	0	0	0	0	0	115.7	D371	G369-D371 VanDerWaalsContact CA-N 3.34Å; G369-D371 PolarHBondContact N-OD2 2.98Å
370	P	94.9	Very high	89.7	Confident	82 Å²	82	46.3 Å²	46.3	53%	0.532	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-65.8	124.2	-0.4	24.4	-31.4	0	0	0	112.3	W359	W359-P370 HydrophobicContact CH2-CB 4.27Å; W359-P370 HydrophobicContact CZ2-CB 3.54Å; W359-P370 HydrophobicContact CZ2-CG 4.36Å
371	D	95.3	Very high	89.7	Confident	21 Å²	21	48.8 Å²	48.8	11%	0.112	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	144.8	175.2	-80.9	-62.9	0	0	0	109.1	S357 Y358 S368 G369 R375	S357-D371 CarbonylContact C-O 3.42Å; S357-D371 VanDerWaalsContact CA-O 3.23Å; S357-D371 WeakPolarHBondContact CA-O 3.3Å; Y358-D371 HydrophobicContact CD1-CB 3.94Å; Y358-D371 WeakPolarHBondContact CD1-O 2.81Å; Y358-D371 HydrophobicContact CD2-CB 4.41Å; Y358-D371 HydrophobicContact CE1-CB 3.37Å; Y358-D371 HydrophobicContact CE2-CB 3.88Å; Y358-D371 HydrophobicContact CG-CB 4.43Å; Y358-D371 PolarHBondContact N-O 2.88Å; Y358-D371 PolarHBondContact O-N 2.87Å; S368-D371 PolarHBondContact OG-OD2 2.72Å; G369-D371 VanDerWaalsContact CA-N 3.34Å; G369-D371 PolarHBondContact N-OD2 2.98Å; D371-R375 IonicContact OD1-CZ 3.06Å; D371-R375 IonicContact OD1-NE 3.7Å; D371-R375 IonicContact OD1-NH1 3.54Å; D371-R375 PolarHBondContact OD1-NH1 3.33Å
372	S	95.3	Very high	89.8	Confident	38 Å²	38	52.3 Å²	52.3	27%	0.266	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	138.4	-178.3	178.8	0	0	0	0	112.2	D356 Y358 Q374 R375	D356-S372 CarbonylContact O-C 3.58Å; D356-S372 WeakPolarHBondContact O-CA 3.18Å; Y358-S372 WeakPolarHBondContact CE1-O 2.82Å; S372-Q374 PolarHBondContact O-N 2.83Å; S372-Q374 VanDerWaalsContact O-N 3.07Å; S372-Q374 PolarHBondContact OG-N 3.27Å; S372-R375 VanDerWaalsContact O-CB 3.26Å; S372-R375 WeakPolarHBondContact O-CB 3.43Å; S372-R375 PolarHBondContact O-N 3.24Å
373	L	94.1	Very high	90.4	Very high	4 Å²	4	52 Å²	52	2%	0.021	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-54.2	-25.8	171.4	-72.2	-177.8	0	0	0	113.5	F353 G355 D356 Y358 R375 L376 G377 L378 I383	F353-L373 HydrophobicContact CD1-CD2 3.55Å; F353-L373 HydrophobicContact CE1-CD2 3.75Å; G355-L373 WeakPolarHBondContact O-CD1 3.33Å; D356-L373 PolarHBondContact O-N 2.83Å; Y358-L373 HydrophobicContact CD1-CD2 4.12Å; L373-R375 PolarHBondContact O-N 2.66Å; L373-L376 HydrophobicContact CD2-CD1 4.12Å; L373-L376 WeakPolarHBondContact O-CA 3.19Å; L373-L376 WeakPolarHBondContact O-CB 3.24Å; L373-L376 PolarHBondContact O-N 2.67Å; L373-G377 PolarHBondContact O-N 2.64Å; L373-L378 HydrophobicContact CB-CB 4.25Å; L373-L378 HydrophobicContact CB-CD1 4.27Å; L373-L378 HydrophobicContact CD2-CD1 3.77Å; L373-L378 HydrophobicContact CG-CD1 4.43Å; L373-L378 PolarHBondContact O-N 3.25Å; L373-I383 HydrophobicContact CD1-CG1 4.05Å
374	Q	91.7	Very high	91.2	Very high	159 Å²	159	54 Å²	54	74%	0.743	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-61.9	-28.5	174.5	-63.7	-176.2	15.3	0	0	112.5	S372 L376 G377	S372-Q374 PolarHBondContact O-N 2.83Å; S372-Q374 VanDerWaalsContact O-N 3.07Å; S372-Q374 PolarHBondContact OG-N 3.27Å; Q374-L376 PolarHBondContact O-N 3.3Å; Q374-G377 WeakPolarHBondContact O-CA 3.44Å; Q374-G377 PolarHBondContact O-N 2.76Å
375	R	92.1	Very high	92.2	Very high	160 Å²	160	53.5 Å²	53.5	60%	0.604	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-63.8	-31.4	174.7	-65.7	-176.4	168.4	-158.2	-8.1	111.8	D371 S372 L373 G377	D371-R375 IonicContact OD1-CZ 3.06Å; D371-R375 IonicContact OD1-NE 3.7Å; D371-R375 IonicContact OD1-NH1 3.54Å; D371-R375 PolarHBondContact OD1-NH1 3.33Å; S372-R375 VanDerWaalsContact O-CB 3.26Å; S372-R375 WeakPolarHBondContact O-CB 3.43Å; S372-R375 PolarHBondContact O-N 3.24Å; L373-R375 PolarHBondContact O-N 2.66Å; R375-G377 PolarHBondContact O-N 2.87Å
376	L	91.8	Very high	93.1	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-81.6	-1.8	174.2	-51.9	-177.2	0	0	0	112.5	W351 F353 Y358 L373 Q374 L378 F408 N413 R414 V415	W351-L376 HydrophobicContact CZ3-CD1 4.34Å; W351-L376 HydrophobicContact CZ3-CD2 4.22Å; F353-L376 HydrophobicContact CE1-CD1 4.02Å; Y358-L376 HydrophobicContact CD1-CD1 3.74Å; Y358-L376 HydrophobicContact CD1-CG 4.08Å; Y358-L376 HydrophobicContact CE1-CD1 3.76Å; Y358-L376 HydrophobicContact CE1-CD2 3.85Å; Y358-L376 HydrophobicContact CE1-CG 3.59Å; Y358-L376 HydrophobicContact CE2-CD2 4.41Å; Y358-L376 HydrophobicContact CG-CD1 4.17Å; L373-L376 HydrophobicContact CD2-CD1 4.12Å; L373-L376 WeakPolarHBondContact O-CA 3.19Å; L373-L376 WeakPolarHBondContact O-CB 3.24Å; L373-L376 PolarHBondContact O-N 2.67Å; Q374-L376 PolarHBondContact O-N 3.3Å; L376-L378 VanDerWaalsContact C-N 3.31Å; L376-L378 HydrophobicContact CB-CD1 4.3Å; L376-L378 HydrophobicContact CD1-CD1 4.43Å; L376-F408 HydrophobicContact CB-CE2 4.07Å; L376-F408 HydrophobicContact CD1-CE2 4.21Å; L376-F408 HydrophobicContact CD2-CE2 3.94Å; L376-F408 HydrophobicContact CD2-CZ 4.14Å; L376-F408 HydrophobicContact CG-CE2 4.29Å; L376-N413 VanDerWaalsContact CD2-O 3.29Å; L376-N413 WeakPolarHBondContact CD2-O 3.34Å; L376-R414 CarbonylContact O-C 3.55Å; L376-R414 WeakPolarHBondContact O-CA 3.39Å; L376-V415 PolarHBondContact O-N 3.47Å
377	G	91	Very high	93.4	Very high	24 Å²	24	44.5 Å²	44.5	25%	0.247	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	12.9	-177.4	0	0	0	0	0	114.3	L373 Q374 R375 V415 L418	L373-G377 PolarHBondContact O-N 2.64Å; Q374-G377 WeakPolarHBondContact O-CA 3.44Å; Q374-G377 PolarHBondContact O-N 2.76Å; R375-G377 PolarHBondContact O-N 2.87Å; G377-V415 VanDerWaalsContact O-CG2 3.26Å; G377-V415 WeakPolarHBondContact O-CG2 3.46Å; G377-L418 WeakPolarHBondContact O-CD2 3.42Å
378	L	91.4	Very high	93.5	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	24%	0.244	C	C	.	.			trans	-74.6	127.2	178	-77.8	158.1	0	0	0	110.6	L373 L376 V380 I383 L399 W406 V415	L373-L378 HydrophobicContact CB-CB 4.25Å; L373-L378 HydrophobicContact CB-CD1 4.27Å; L373-L378 HydrophobicContact CD2-CD1 3.77Å; L373-L378 HydrophobicContact CG-CD1 4.43Å; L373-L378 PolarHBondContact O-N 3.25Å; L376-L378 VanDerWaalsContact C-N 3.31Å; L376-L378 HydrophobicContact CB-CD1 4.3Å; L376-L378 HydrophobicContact CD1-CD1 4.43Å; L378-V380 HydrophobicContact CD2-CG2 4.46Å; L378-V380 PolarHBondContact O-N 2.73Å; L378-I383 HydrophobicContact CD1-CD1 4.33Å; L378-I383 HydrophobicContact CD1-CG1 4.39Å; L378-I383 HydrophobicContact CD2-CD1 4.23Å; L378-L399 HydrophobicContact CD1-CD1 3.69Å; L378-L399 HydrophobicContact CD2-CD1 4.25Å; L378-L399 HydrophobicContact CG-CD1 4.44Å; L378-W406 HydrophobicContact CD2-CB 4.18Å; L378-W406 HydrophobicContact CD2-CD2 4.18Å; L378-W406 HydrophobicContact CD2-CG 3.99Å; L378-V415 HydrophobicContact CD2-CG1 3.61Å; L378-V415 HydrophobicContact CG-CG1 3.74Å
379	P	89.6	Confident	93.3	Very high	83 Å²	83	43.4 Å²	43.4	54%	0.539	23%	0.233	S	C	.	.	S	Bend	trans	-82.7	5	176.5	33.7	-34	0	0	0	112.9	W406	P379-W406 HydrophobicContact CG-CZ2 4.29Å
380	V	92.5	Very high	92.8	Very high	34 Å²	34	47 Å²	47	21%	0.206	24%	0.244	C	C	.	.			trans	-132.6	153.8	-173.4	-62	0	0	0	0	111.1	L378 I383 K401 W406	L378-V380 HydrophobicContact CD2-CG2 4.46Å; L378-V380 PolarHBondContact O-N 2.73Å; V380-I383 HydrophobicContact CG2-CD1 3.76Å; V380-K401 HydrophobicContact CB-CD 3.57Å; V380-K401 HydrophobicContact CG1-CD 3.99Å; V380-K401 HydrophobicContact CG2-CD 3.74Å; V380-W406 HydrophobicContact CB-CH2 4.46Å; V380-W406 HydrophobicContact CG1-CH2 3.87Å; V380-W406 HydrophobicContact CG1-CZ2 3.88Å; V380-W406 HydrophobicContact CG2-CE3 4.49Å; V380-W406 HydrophobicContact CG2-CH2 3.75Å; V380-W406 HydrophobicContact CG2-CZ2 4.01Å; V380-W406 HydrophobicContact CG2-CZ3 4.02Å
381	T	94.7	Very high	91.6	Very high	60 Å²	60	47.2 Å²	47.2	37%	0.368	24%	0.24	S	C	.	.	S	Bend	trans	-97.3	-176.2	169.6	56.2	0	0	0	0	110.4	G355 D356 I383 K401	G355-T381 CarbonylContact O-C 3.56Å; D356-T381 HydrophobicContact CB-CG2 3.64Å; T381-I383 PolarHBondContact O-N 3.11Å; T381-K401 WeakPolarHBondContact O-CD 3.38Å; T381-K401 WeakPolarHBondContact O-CE 3.34Å; T381-K401 PolarHBondContact O-NZ 2.95Å
382	D	93.7	Very high	90.5	Very high	74 Å²	74	49.5 Å²	49.5	40%	0.396	27%	0.269	S	S	.	.			trans	46.4	63.1	168.3	-33.7	-81	0	0	0	112.2	G355 Q384 K401	G355-D382 WeakPolarHBondContact CA-OD1 3.22Å; G355-D382 PolarHBondContact O-N 2.91Å; D382-Q384 PolarHBondContact O-N 2.92Å; D382-K401 PolarHBondContact O-NZ 3.44Å; D382-K401 IonicContact OD2-NZ 2.7Å
383	I	95.8	Very high	89.1	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	30%	0.301	C	S	.	.			trans	-70	123.2	175.3	-60.5	-59.5	0	0	0	108	D340 A341 L373 L378 V380 T381 A385 L399	D340-I383 CarbonylContact C-O 3.54Å; D340-I383 WeakPolarHBondContact CB-O 3.39Å; A341-I383 HydrophobicContact CB-CG2 4.17Å; L373-I383 HydrophobicContact CD1-CG1 4.05Å; L378-I383 HydrophobicContact CD1-CD1 4.33Å; L378-I383 HydrophobicContact CD1-CG1 4.39Å; L378-I383 HydrophobicContact CD2-CD1 4.23Å; V380-I383 HydrophobicContact CG2-CD1 3.76Å; T381-I383 PolarHBondContact O-N 3.11Å; I383-A385 WeakPolarHBondContact CG2-O 3.43Å; I383-L399 HydrophobicContact CD1-CB 4.49Å; I383-L399 HydrophobicContact CG2-CB 3.96Å; I383-L399 HydrophobicContact CG2-CD2 4.3Å
384	Q	95.5	Very high	88.2	Confident	43 Å²	43	61.4 Å²	61.4	20%	0.201	32%	0.318	C	S	.	.			trans	-91.4	-20.5	-169.5	-54.1	-178.7	-51.3	0	0	113.2	D340 D382 F400 H432 V433 D434	D340-Q384 CarbonylContact O-C 3.59Å; D382-Q384 PolarHBondContact O-N 2.92Å; Q384-F400 PolarHBondContact N-O 2.67Å; Q384-H432 PolarHBondContact NE2-CD2 3.31Å; Q384-H432 PolarHBondContact NE2-NE2 2.93Å; Q384-V433 VanDerWaalsContact CB-O 3.23Å; Q384-V433 WeakPolarHBondContact CB-O 3.47Å; Q384-D434 CarbonylContact O-C 2.79Å
385	A	96.9	Very high	87.8	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	149.1	173.8	0	0	0	0	0	110.5	I383 L399 F400 V433 A436	I383-A385 WeakPolarHBondContact CG2-O 3.43Å; A385-L399 WeakPolarHBondContact O-CA 3.02Å; A385-F400 HydrophobicContact CB-CB 4.08Å; A385-F400 HydrophobicContact CB-CD2 4.12Å; A385-F400 HydrophobicContact CB-CG 4.39Å; A385-F400 PolarHBondContact O-N 2.84Å; A385-V433 HydrophobicContact CB-CG2 4.16Å; A385-A436 HydrophobicContact CB-CB 3.87Å
386	A	96.8	Very high	87.6	Confident	3 Å²	3	50.9 Å²	50.9	3%	0.025	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.7	172.3	0	0	0	0	0	108.9	A341 Y343 F353 Y398 L399 A436	A341-A386 HydrophobicContact CB-CB 4Å; Y343-A386 HydrophobicContact CD1-CB 3.76Å; Y343-A386 HydrophobicContact CG-CB 4.36Å; F353-A386 HydrophobicContact CE2-CB 4.38Å; A386-Y398 CarbonylContact C-O 3.36Å; A386-Y398 WeakPolarHBondContact CA-O 3.34Å; A386-L399 HydrophobicContact CB-CD2 3.61Å; A386-A436 VanDerWaalsContact O-O 3.05Å
387	L	95.2	Very high	87.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.4	179.7	-178	60.3	0	0	0	109.8	W389 V397 Y398 F400 W426 A436 L438 A444 F446	L387-W389 HydrophobicContact CD2-CE3 3.52Å; L387-W389 HydrophobicContact CD2-CZ3 3.64Å; L387-W389 HydrophobicContact CG-CE3 4.01Å; L387-V397 CarbonylContact O-C 3.51Å; L387-V397 WeakPolarHBondContact O-CA 3.31Å; L387-Y398 PolarHBondContact N-O 3.41Å; L387-Y398 PolarHBondContact O-N 3.24Å; L387-F400 HydrophobicContact CB-CE2 3.78Å; L387-F400 HydrophobicContact CD2-CE2 4.44Å; L387-F400 HydrophobicContact CD2-CZ 4.48Å; L387-W426 HydrophobicContact CD2-CH2 4Å; L387-W426 HydrophobicContact CD2-CZ3 3.99Å; L387-A436 HydrophobicContact CB-CB 3.98Å; L387-A436 HydrophobicContact CD1-CB 4.28Å; L387-L438 HydrophobicContact CD1-CB 4.26Å; L387-A444 HydrophobicContact CD2-CB 4.05Å; L387-F446 HydrophobicContact CD2-CE1 4.33Å; L387-F446 HydrophobicContact CD2-CE2 4.28Å; L387-F446 HydrophobicContact CD2-CZ 3.64Å
388	R	92.2	Very high	87.8	Confident	72 Å²	72	51.4 Å²	51.4	27%	0.272	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	132.4	164	173.5	170.4	170.1	-109.3	-4.8	109.8	Y343 E344 E390 E395	Y343-R388 HydrophobicContact CD2-CB 4.46Å; E344-R388 WeakPolarHBondContact O-CD 3.38Å; R388-E390 IonicContact CZ-OE1 3.01Å; R388-E390 IonicContact NH2-OE1 2.84Å; R388-E390 PolarHBondContact NH2-OE1 3.15Å; R388-E395 WeakPolarHBondContact CD-OE1 3.31Å; R388-E395 IonicContact CZ-OE1 3.93Å; R388-E395 IonicContact NE-OE1 2.87Å; R388-E395 PolarHBondContact NE-OE1 3.17Å
389	W	87.4	Confident	88	Confident	27 Å²	27	51.2 Å²	51.2	10%	0.102	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.4	-179.4	-159.4	-77.7	0	0	0	110.5	L387 K396 Y398 W426 L438 A444 L455 P457 L460	L387-W389 HydrophobicContact CD2-CE3 3.52Å; L387-W389 HydrophobicContact CD2-CZ3 3.64Å; L387-W389 HydrophobicContact CG-CE3 4.01Å; W389-K396 WeakPolarHBondContact CA-O 3.33Å; W389-K396 HydrophobicContact CB-CB 4.49Å; W389-K396 WeakPolarHBondContact CB-O 3.42Å; W389-K396 PolarHBondContact N-O 3.37Å; W389-K396 PolarHBondContact O-N 3.42Å; W389-Y398 HydrophobicContact CB-CD2 4.04Å; W389-Y398 HydrophobicContact CB-CE2 3.66Å; W389-Y398 HydrophobicContact CD2-CE2 4.11Å; W389-Y398 HydrophobicContact CE3-CD2 4.45Å; W389-Y398 HydrophobicContact CE3-CE2 4.27Å; W389-Y398 AromaticContact CG-CE2 3.86Å; W389-Y398 HydrophobicContact CG-CE2 3.86Å; W389-W426 HydrophobicContact CE3-CH2 4.45Å; W389-W426 HydrophobicContact CH2-CZ3 4.28Å; W389-W426 AromaticContact CZ3-CH2 4Å; W389-W426 HydrophobicContact CZ3-CH2 4Å; W389-W426 AromaticContact CZ3-CZ3 3.8Å; W389-W426 HydrophobicContact CZ3-CZ3 3.8Å; W389-L438 HydrophobicContact CE3-CD1 4.32Å; W389-A444 HydrophobicContact CE3-CB 4.41Å; W389-A444 HydrophobicContact CH2-CB 4.08Å; W389-A444 HydrophobicContact CZ3-CB 3.5Å; W389-A444 VanDerWaalsContact CZ3-CB 3.5Å; W389-L455 HydrophobicContact CH2-CD2 4.2Å; W389-P457 HydrophobicContact CH2-CB 3.45Å; W389-P457 VanDerWaalsContact CH2-CB 3.45Å; W389-P457 VanDerWaalsContact CZ2-CA 3.46Å; W389-P457 HydrophobicContact CZ2-CB 3.1Å; W389-L460 HydrophobicContact CH2-CD2 4.43Å
390	E	80.2	Confident	88.2	Confident	95 Å²	95	47.3 Å²	47.3	44%	0.444	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.9	174	-60.5	-157.5	136.2	0	0	110	K346 R388	K346-E390 WeakPolarHBondContact CE-OE1 3.5Å; K346-E390 IonicContact NZ-OE1 3.7Å; R388-E390 IonicContact CZ-OE1 3.01Å; R388-E390 IonicContact NH2-OE1 2.84Å; R388-E390 PolarHBondContact NH2-OE1 3.15Å
391	D	69.5	Low	88.3	Confident	86 Å²	86	47.8 Å²	47.8	46%	0.46	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	90.5	175.6	-174.8	9.8	0	0	0	108.2	R393 A394 K396	D391-R393 PolarHBondContact O-N 2.85Å; D391-R393 VanDerWaalsContact O-N 3.17Å; D391-A394 PolarHBondContact N-O 2.9Å; D391-A394 VanDerWaalsContact N-O 3.11Å; D391-A394 PolarHBondContact O-N 3.24Å; D391-A394 VanDerWaalsContact O-N 3.12Å; D391-K396 HydrophobicContact CB-CD 4.24Å; D391-K396 IonicContact OD2-NZ 3.41Å; D391-K396 PolarHBondContact OD2-NZ 2.7Å
392	G	72.8	Confident	88.1	Confident	69 Å²	69	47.6 Å²	47.6	71%	0.711	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	-114.5	-171.1	0	0	0	0	0	111.9
393	R	65.9	Low	88	Confident	246 Å²	246	45.6 Å²	45.6	93%	0.928	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-15.2	178	-65.4	-173.8	-176.5	178.9	1.2	113.5	K346 D391	K346-R393 PolarHBondContact NZ-O 2.8Å; D391-R393 PolarHBondContact O-N 2.85Å; D391-R393 VanDerWaalsContact O-N 3.17Å
394	A	74.7	Confident	87.9	Confident	47 Å²	47	50.2 Å²	50.2	39%	0.388	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.2	-177.8	0	0	0	0	0	110.9	D391	D391-A394 PolarHBondContact N-O 2.9Å; D391-A394 VanDerWaalsContact N-O 3.11Å; D391-A394 PolarHBondContact O-N 3.24Å; D391-A394 VanDerWaalsContact O-N 3.12Å
395	E	84	Confident	87.8	Confident	28 Å²	28	48.8 Å²	48.8	13%	0.131	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132.2	166.9	176.7	167.2	-132.8	0	0	109.3	D345 K346 R388 V397 V410	D345-E395 WeakPolarHBondContact CA-OE1 3.26Å; K346-E395 WeakPolarHBondContact CB-OE2 3.46Å; K346-E395 HydrophobicContact CD-CB 3.8Å; K346-E395 HydrophobicContact CG-CB 4.2Å; K346-E395 HydrophobicContact CG-CG 4.41Å; K346-E395 PolarHBondContact N-OE1 3.12Å; K346-E395 PolarHBondContact N-OE2 3.02Å; R388-E395 WeakPolarHBondContact CD-OE1 3.31Å; R388-E395 IonicContact CZ-OE1 3.93Å; R388-E395 IonicContact NE-OE1 2.87Å; R388-E395 PolarHBondContact NE-OE1 3.17Å; E395-V397 HydrophobicContact CG-CG2 4.38Å; E395-V410 HydrophobicContact CG-CG2 4.02Å
396	K	87.1	Confident	87.7	Confident	70 Å²	70	49.2 Å²	49.2	30%	0.304	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.8	170.6	-72.2	178.1	178.1	166.8	0	108.1	W389 D391	W389-K396 WeakPolarHBondContact CA-O 3.33Å; W389-K396 HydrophobicContact CB-CB 4.49Å; W389-K396 WeakPolarHBondContact CB-O 3.42Å; W389-K396 PolarHBondContact N-O 3.37Å; W389-K396 PolarHBondContact O-N 3.42Å; D391-K396 HydrophobicContact CB-CD 4.24Å; D391-K396 IonicContact OD2-NZ 3.41Å; D391-K396 PolarHBondContact OD2-NZ 2.7Å
397	V	93	Very high	87.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.3	173.5	178.4	0	0	0	0	108.1	Y343 L387 E395 L399 F408 V410	Y343-V397 HydrophobicContact CD1-CG1 3.96Å; Y343-V397 HydrophobicContact CD2-CG1 4.26Å; Y343-V397 HydrophobicContact CD2-CG2 3.95Å; Y343-V397 HydrophobicContact CE1-CG1 3.87Å; Y343-V397 HydrophobicContact CE2-CG1 4.21Å; Y343-V397 HydrophobicContact CE2-CG2 3.63Å; Y343-V397 HydrophobicContact CG-CG1 4.15Å; L387-V397 CarbonylContact O-C 3.51Å; L387-V397 WeakPolarHBondContact O-CA 3.31Å; E395-V397 HydrophobicContact CG-CG2 4.38Å; V397-L399 HydrophobicContact CG1-CD2 4.01Å; V397-F408 HydrophobicContact CB-CB 4.11Å; V397-F408 HydrophobicContact CB-CD1 4.06Å; V397-F408 HydrophobicContact CG1-CB 4.46Å; V397-F408 HydrophobicContact CG1-CD1 4.46Å; V397-F408 HydrophobicContact CG2-CD1 4.47Å; V397-F408 PolarHBondContact N-O 2.88Å; V397-F408 PolarHBondContact O-N 2.96Å; V397-V410 HydrophobicContact CG2-CG2 3.67Å
398	Y	94.2	Very high	87.2	Confident	35 Å²	35	50.8 Å²	50.8	14%	0.137	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.7	175.6	-58.8	-68.9	0	0	0	109.5	A386 L387 W389 F400 Y405 W406 W426	A386-Y398 CarbonylContact C-O 3.36Å; A386-Y398 WeakPolarHBondContact CA-O 3.34Å; L387-Y398 PolarHBondContact N-O 3.41Å; L387-Y398 PolarHBondContact O-N 3.24Å; W389-Y398 HydrophobicContact CB-CD2 4.04Å; W389-Y398 HydrophobicContact CB-CE2 3.66Å; W389-Y398 HydrophobicContact CD2-CE2 4.11Å; W389-Y398 HydrophobicContact CE3-CD2 4.45Å; W389-Y398 HydrophobicContact CE3-CE2 4.27Å; W389-Y398 AromaticContact CG-CE2 3.86Å; W389-Y398 HydrophobicContact CG-CE2 3.86Å; Y398-F400 WeakPolarHBondContact O-CD2 3.28Å; Y398-F400 WeakPolarHBondContact O-CE2 3.34Å; Y398-Y405 AromaticContact CD1-CD2 3.68Å; Y398-Y405 HydrophobicContact CD1-CD2 3.68Å; Y398-Y405 AromaticContact CD1-CE2 3.72Å; Y398-Y405 HydrophobicContact CD1-CE2 3.72Å; Y398-Y405 HydrophobicContact CE1-CD2 4.4Å; Y398-Y405 AromaticContact CE1-CE2 3.99Å; Y398-Y405 HydrophobicContact CE1-CE2 3.99Å; Y398-Y405 HydrophobicContact CG-CD2 4.29Å; Y398-W406 WeakPolarHBondContact CA-O 3.38Å; Y398-W426 HydrophobicContact CD2-CH2 4.15Å; Y398-W426 HydrophobicContact CD2-CZ2 4.45Å; Y398-W426 HydrophobicContact CE2-CH2 4.47Å
399	L	95.7	Very high	86.8	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125	177.5	-58.3	179	0	0	0	108.4	F353 L378 I383 A385 A386 V397 Y405 W406 F408	F353-L399 HydrophobicContact CE2-CD2 4.3Å; F353-L399 HydrophobicContact CZ-CD2 4.21Å; L378-L399 HydrophobicContact CD1-CD1 3.69Å; L378-L399 HydrophobicContact CD2-CD1 4.25Å; L378-L399 HydrophobicContact CG-CD1 4.44Å; I383-L399 HydrophobicContact CD1-CB 4.49Å; I383-L399 HydrophobicContact CG2-CB 3.96Å; I383-L399 HydrophobicContact CG2-CD2 4.3Å; A385-L399 WeakPolarHBondContact O-CA 3.02Å; A386-L399 HydrophobicContact CB-CD2 3.61Å; V397-L399 HydrophobicContact CG1-CD2 4.01Å; L399-Y405 CarbonylContact O-C 3.54Å; L399-Y405 WeakPolarHBondContact O-CA 3.47Å; L399-W406 PolarHBondContact N-O 3.19Å; L399-W406 PolarHBondContact O-N 3.29Å; L399-F408 HydrophobicContact CD1-CB 4.21Å; L399-F408 HydrophobicContact CD1-CD2 4.49Å; L399-F408 HydrophobicContact CD1-CG 4.44Å; L399-F408 HydrophobicContact CG-CB 4.33Å
400	F	95.4	Very high	86.5	Confident	1 Å²	1	48.3 Å²	48.3	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.7	-172.6	-63.8	-100.8	0	0	0	111.2	Q384 A385 L387 Y398 F404 Y405 T423 W426 V433 F446	Q384-F400 PolarHBondContact N-O 2.67Å; A385-F400 HydrophobicContact CB-CB 4.08Å; A385-F400 HydrophobicContact CB-CD2 4.12Å; A385-F400 HydrophobicContact CB-CG 4.39Å; A385-F400 PolarHBondContact O-N 2.84Å; L387-F400 HydrophobicContact CB-CE2 3.78Å; L387-F400 HydrophobicContact CD2-CE2 4.44Å; L387-F400 HydrophobicContact CD2-CZ 4.48Å; Y398-F400 WeakPolarHBondContact O-CD2 3.28Å; Y398-F400 WeakPolarHBondContact O-CE2 3.34Å; F400-F404 WeakPolarHBondContact CA-O 3.28Å; F400-Y405 HydrophobicContact CD1-CG 4.45Å; F400-Y405 HydrophobicContact CE1-CD1 4.39Å; F400-Y405 HydrophobicContact CE1-CG 4.11Å; F400-T423 HydrophobicContact CD1-CG2 3.84Å; F400-T423 HydrophobicContact CE1-CG2 4.07Å; F400-W426 HydrophobicContact CE1-CH2 4.44Å; F400-W426 HydrophobicContact CE1-CZ2 4.27Å; F400-W426 AromaticContact CZ-CH2 3.77Å; F400-W426 HydrophobicContact CZ-CH2 3.77Å; F400-W426 AromaticContact CZ-CZ2 3.92Å; F400-W426 HydrophobicContact CZ-CZ2 3.92Å; F400-W426 HydrophobicContact CZ-CZ3 4.28Å; F400-V433 HydrophobicContact CB-CG2 3.97Å; F400-V433 HydrophobicContact CD1-CG2 4.39Å; F400-V433 HydrophobicContact CG-CG2 4.29Å; F400-F446 HydrophobicContact CD1-CE1 4.43Å; F400-F446 AromaticContact CE1-CE1 3.86Å; F400-F446 HydrophobicContact CE1-CE1 3.86Å; F400-F446 HydrophobicContact CE1-CZ 4.32Å; F400-F446 HydrophobicContact CE2-CE1 4.04Å; F400-F446 AromaticContact CZ-CE1 3.64Å; F400-F446 HydrophobicContact CZ-CE1 3.64Å; F400-F446 AromaticContact CZ-CZ 3.91Å; F400-F446 HydrophobicContact CZ-CZ 3.91Å
401	K	94.1	Very high	86.4	Confident	44 Å²	44	52 Å²	52	19%	0.191	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	122.3	167.5	-172.3	-174	178.1	79.9	0	108.9	V380 T381 D382 S403 F404 W406	V380-K401 HydrophobicContact CB-CD 3.57Å; V380-K401 HydrophobicContact CG1-CD 3.99Å; V380-K401 HydrophobicContact CG2-CD 3.74Å; T381-K401 WeakPolarHBondContact O-CD 3.38Å; T381-K401 WeakPolarHBondContact O-CE 3.34Å; T381-K401 PolarHBondContact O-NZ 2.95Å; D382-K401 PolarHBondContact O-NZ 3.44Å; D382-K401 IonicContact OD2-NZ 2.7Å; K401-S403 PolarHBondContact O-N 2.72Å; K401-F404 PolarHBondContact N-O 2.77Å; K401-F404 WeakPolarHBondContact O-CB 3.21Å; K401-F404 PolarHBondContact O-N 2.87Å; K401-F404 VanDerWaalsContact O-N 3.1Å; K401-W406 HydrophobicContact CB-CH2 4.28Å; K401-W406 HydrophobicContact CB-CZ3 3.78Å
402	S	90.1	Very high	87	Confident	56 Å²	56	54.6 Å²	54.6	39%	0.392	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	-133	-175.1	-50.4	0	0	0	0	110.3	F404 G431	S402-F404 PolarHBondContact O-N 3.42Å; S402-G431 CarbonylContact C-O 3.56Å
403	S	91	Very high	87.6	Confident	33 Å²	33	55 Å²	55	23%	0.231	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	26.9	178.4	-46.3	0	0	0	0	113.7	K401 T423 G431	K401-S403 PolarHBondContact O-N 2.72Å; S403-T423 WeakPolarHBondContact CA-OG1 3.25Å; S403-T423 PolarHBondContact O-N 2.87Å; S403-T423 PolarHBondContact O-OG1 3.48Å; S403-G431 PolarHBondContact N-O 2.9Å; S403-G431 PolarHBondContact OG-O 2.84Å
404	F	93.4	Very high	88.7	Confident	97 Å²	97	50.7 Å²	50.7	43%	0.425	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	152.6	-174.3	-67.6	-71.6	0	0	0	112.3	F400 K401 S402 W406 P420 R421	F400-F404 WeakPolarHBondContact CA-O 3.28Å; K401-F404 PolarHBondContact N-O 2.77Å; K401-F404 WeakPolarHBondContact O-CB 3.21Å; K401-F404 PolarHBondContact O-N 2.87Å; K401-F404 VanDerWaalsContact O-N 3.1Å; S402-F404 PolarHBondContact O-N 3.42Å; F404-W406 HydrophobicContact CB-CH2 4.09Å; F404-W406 HydrophobicContact CB-CZ3 4.13Å; F404-P420 HydrophobicContact CB-CB 3.72Å; F404-P420 HydrophobicContact CB-CG 4.27Å; F404-P420 HydrophobicContact CD1-CB 3.88Å; F404-P420 HydrophobicContact CD1-CG 3.91Å; F404-P420 HydrophobicContact CG-CB 4.07Å; F404-P420 HydrophobicContact CG-CG 4.18Å; F404-R421 CarbonylContact C-O 3.09Å; F404-R421 VanDerWaalsContact CA-O 3.25Å; F404-R421 WeakPolarHBondContact CA-O 3.32Å
405	Y	94.1	Very high	89.4	Confident	14 Å²	14	49.2 Å²	49.2	6%	0.055	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.2	173.7	73.4	-85	0	0	0	113.3	Y398 L399 F400 P420 R421 T423 W426	Y398-Y405 AromaticContact CD1-CD2 3.68Å; Y398-Y405 HydrophobicContact CD1-CD2 3.68Å; Y398-Y405 AromaticContact CD1-CE2 3.72Å; Y398-Y405 HydrophobicContact CD1-CE2 3.72Å; Y398-Y405 HydrophobicContact CE1-CD2 4.4Å; Y398-Y405 AromaticContact CE1-CE2 3.99Å; Y398-Y405 HydrophobicContact CE1-CE2 3.99Å; Y398-Y405 HydrophobicContact CG-CD2 4.29Å; L399-Y405 CarbonylContact O-C 3.54Å; L399-Y405 WeakPolarHBondContact O-CA 3.47Å; F400-Y405 HydrophobicContact CD1-CG 4.45Å; F400-Y405 HydrophobicContact CE1-CD1 4.39Å; F400-Y405 HydrophobicContact CE1-CG 4.11Å; Y405-P420 WeakPolarHBondContact O-CA 3.21Å; Y405-R421 HydrophobicContact CD1-CB 3.94Å; Y405-R421 WeakPolarHBondContact CD1-O 3.49Å; Y405-R421 HydrophobicContact CD2-CB 4.43Å; Y405-R421 HydrophobicContact CE1-CB 3.37Å; Y405-R421 HydrophobicContact CE2-CB 3.94Å; Y405-R421 HydrophobicContact CG-CB 4.44Å; Y405-R421 PolarHBondContact N-O 2.98Å; Y405-R421 PolarHBondContact O-N 3.49Å; Y405-R421 WeakPolarHBondContact OH-CD 3.45Å; Y405-T423 HydrophobicContact CD1-CG2 4.1Å; Y405-W426 AromaticContact CD1-NE1 3.92Å; Y405-W426 AromaticContact CE1-CD1 4Å; Y405-W426 HydrophobicContact CE1-CZ2 4.5Å; Y405-W426 AromaticContact CE1-NE1 3.22Å; Y405-W426 HydrophobicContact CE2-CZ2 4.3Å; Y405-W426 AromaticContact CZ-NE1 3.44Å
406	W	94.3	Very high	89.4	Confident	9 Å²	9	52 Å²	52	3%	0.034	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.2	176.5	-68	-100	0	0	0	109.9	L378 P379 V380 Y398 L399 K401 F404 V415 L418 P420	L378-W406 HydrophobicContact CD2-CB 4.18Å; L378-W406 HydrophobicContact CD2-CD2 4.18Å; L378-W406 HydrophobicContact CD2-CG 3.99Å; P379-W406 HydrophobicContact CG-CZ2 4.29Å; V380-W406 HydrophobicContact CB-CH2 4.46Å; V380-W406 HydrophobicContact CG1-CH2 3.87Å; V380-W406 HydrophobicContact CG1-CZ2 3.88Å; V380-W406 HydrophobicContact CG2-CE3 4.49Å; V380-W406 HydrophobicContact CG2-CH2 3.75Å; V380-W406 HydrophobicContact CG2-CZ2 4.01Å; V380-W406 HydrophobicContact CG2-CZ3 4.02Å; Y398-W406 WeakPolarHBondContact CA-O 3.38Å; L399-W406 PolarHBondContact N-O 3.19Å; L399-W406 PolarHBondContact O-N 3.29Å; K401-W406 HydrophobicContact CB-CH2 4.28Å; K401-W406 HydrophobicContact CB-CZ3 3.78Å; F404-W406 HydrophobicContact CB-CH2 4.09Å; F404-W406 HydrophobicContact CB-CZ3 4.13Å; W406-V415 HydrophobicContact CB-CG1 4.07Å; W406-L418 PolarHBondContact NE1-O 2.93Å; W406-P420 HydrophobicContact CD2-CB 4.06Å; W406-P420 HydrophobicContact CE3-CB 4.43Å; W406-P420 HydrophobicContact CH2-CB 3.94Å; W406-P420 HydrophobicContact CH2-CG 4.25Å; W406-P420 HydrophobicContact CZ2-CB 3.55Å; W406-P420 HydrophobicContact CZ2-CG 3.67Å; W406-P420 HydrophobicContact CZ3-CB 4.35Å
407	S	91.9	Very high	89.1	Confident	34 Å²	34	52.6 Å²	52.6	24%	0.238	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.5	171.9	-176	0	0	0	0	109.7	V415 S416	S407-V415 WeakPolarHBondContact O-CA 3.49Å; S407-S416 PolarHBondContact O-N 2.8Å; S407-S416 PolarHBondContact O-OG 2.95Å
408	F	90.1	Very high	88.6	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.009	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129	179.9	179.9	-102.6	0	0	0	110.9	Y343 W351 L376 V397 L399 V410 N413 V415	Y343-F408 WeakPolarHBondContact OH-CE1 3.41Å; W351-F408 HydrophobicContact CH2-CZ 4.43Å; L376-F408 HydrophobicContact CB-CE2 4.07Å; L376-F408 HydrophobicContact CD1-CE2 4.21Å; L376-F408 HydrophobicContact CD2-CE2 3.94Å; L376-F408 HydrophobicContact CD2-CZ 4.14Å; L376-F408 HydrophobicContact CG-CE2 4.29Å; V397-F408 HydrophobicContact CB-CB 4.11Å; V397-F408 HydrophobicContact CB-CD1 4.06Å; V397-F408 HydrophobicContact CG1-CB 4.46Å; V397-F408 HydrophobicContact CG1-CD1 4.46Å; V397-F408 HydrophobicContact CG2-CD1 4.47Å; V397-F408 PolarHBondContact N-O 2.88Å; V397-F408 PolarHBondContact O-N 2.96Å; L399-F408 HydrophobicContact CD1-CB 4.21Å; L399-F408 HydrophobicContact CD1-CD2 4.49Å; L399-F408 HydrophobicContact CD1-CG 4.44Å; L399-F408 HydrophobicContact CG-CB 4.33Å; F408-V410 HydrophobicContact CD1-CG2 4.09Å; F408-V410 HydrophobicContact CE1-CG2 4.1Å; F408-N413 VanDerWaalsContact CE2-C 3.45Å; F408-V415 HydrophobicContact CD2-CG1 4.29Å
409	S	84.6	Confident	88.2	Confident	25 Å²	25	62.9 Å²	62.9	18%	0.175	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	110.9	172.7	178.1	0	0	0	0	109.2	Q411 E412 N413 R414	S409-Q411 PolarHBondContact O-N 2.82Å; S409-E412 PolarHBondContact O-N 2.89Å; S409-N413 WeakPolarHBondContact O-CA 3.43Å; S409-N413 PolarHBondContact O-N 3.37Å; S409-R414 PolarHBondContact N-O 3.14Å; S409-R414 PolarHBondContact O-N 3.3Å
410	V	80.8	Confident	88	Confident	23 Å²	23	65.1 Å²	65.1	14%	0.139	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-32	177.8	-177.2	0	0	0	0	111.3	D345 E395 V397 F408 N413	D345-V410 HydrophobicContact CB-CG1 4.22Å; E395-V410 HydrophobicContact CG-CG2 4.02Å; V397-V410 HydrophobicContact CG2-CG2 3.67Å; F408-V410 HydrophobicContact CD1-CG2 4.09Å; F408-V410 HydrophobicContact CE1-CG2 4.1Å; V410-N413 PolarHBondContact O-N 3.01Å; V410-N413 PolarHBondContact O-OD1 3.32Å
411	Q	77.8	Confident	87.8	Confident	171 Å²	171	72 Å²	72	80%	0.799	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-38.4	-179.7	-69.4	160.9	-2.3	0	0	112.2	S409	S409-Q411 PolarHBondContact O-N 2.82Å
412	E	82.2	Confident	87.8	Confident	142 Å²	142	71.7 Å²	71.7	66%	0.664	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-5.5	-178.6	-61.5	-65.5	160.4	0	0	112.4	S409 R414	S409-E412 PolarHBondContact O-N 2.89Å; E412-R414 HydrophobicContact CB-CB 4.48Å; E412-R414 PolarHBondContact O-N 2.94Å
413	N	85.5	Confident	87.9	Confident	76 Å²	76	69.4 Å²	69.4	41%	0.406	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	40.9	-169	-80	-28.8	0	0	0	112.9	L376 F408 S409 V410	L376-N413 VanDerWaalsContact CD2-O 3.29Å; L376-N413 WeakPolarHBondContact CD2-O 3.34Å; F408-N413 VanDerWaalsContact CE2-C 3.45Å; S409-N413 WeakPolarHBondContact O-CA 3.43Å; S409-N413 PolarHBondContact O-N 3.37Å; V410-N413 PolarHBondContact O-N 3.01Å; V410-N413 PolarHBondContact O-OD1 3.32Å
414	R	88.3	Confident	87.8	Confident	156 Å²	156	74.9 Å²	74.9	59%	0.589	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147	154.1	-177.7	-76.2	-171.6	174.1	-176.7	1.2	112.6	L376 S409 E412	L376-R414 CarbonylContact O-C 3.55Å; L376-R414 WeakPolarHBondContact O-CA 3.39Å; S409-R414 PolarHBondContact N-O 3.14Å; S409-R414 PolarHBondContact O-N 3.3Å; E412-R414 HydrophobicContact CB-CB 4.48Å; E412-R414 PolarHBondContact O-N 2.94Å
415	V	90.1	Very high	87.6	Confident	17 Å²	17	75.1 Å²	75.1	10%	0.103	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	137.2	166.7	-62.5	0	0	0	0	110.5	L376 G377 L378 W406 S407 F408 L418	L376-V415 PolarHBondContact O-N 3.47Å; G377-V415 VanDerWaalsContact O-CG2 3.26Å; G377-V415 WeakPolarHBondContact O-CG2 3.46Å; L378-V415 HydrophobicContact CD2-CG1 3.61Å; L378-V415 HydrophobicContact CG-CG1 3.74Å; W406-V415 HydrophobicContact CB-CG1 4.07Å; S407-V415 WeakPolarHBondContact O-CA 3.49Å; F408-V415 HydrophobicContact CD2-CG1 4.29Å; V415-L418 HydrophobicContact CG2-CD2 4.09Å
416	S	83.9	Confident	87.5	Confident	85 Å²	85	74.9 Å²	74.9	59%	0.594	37%	0.371	S	S	*	.	S	Bend	trans	-75.3	-30.6	-176.1	-52.8	0	0	0	0	112	S407	S407-S416 PolarHBondContact O-N 2.8Å; S407-S416 PolarHBondContact O-OG 2.95Å
417	D	81.6	Confident	87.4	Confident	83 Å²	83	76.7 Å²	76.7	44%	0.444	39%	0.388	S	S	.	.			trans	-137.4	139.1	175.9	-163.6	-20.7	0	0	0	108.8	H419	D417-H419 VanDerWaalsContact C-N 3.33Å; D417-H419 IonicContact OD1-CG 3.88Å; D417-H419 PolarHBondContact OD1-N 3.25Å; D417-H419 IonicContact OD1-ND1 3.6Å; D417-H419 PolarHBondContact OD1-ND1 2.84Å
418	L	80.6	Confident	87.3	Confident	106 Å²	106	77.7 Å²	77.7	56%	0.555	40%	0.404	S	S	*	.	S	Bend	trans	-76.9	-26	175.1	-64.4	175.4	0	0	0	111.3	G377 W406 V415 P420	G377-L418 WeakPolarHBondContact O-CD2 3.42Å; W406-L418 PolarHBondContact NE1-O 2.93Å; V415-L418 HydrophobicContact CG2-CD2 4.09Å; L418-P420 WeakPolarHBondContact O-CD 3.39Å
419	H	86.2	Confident	87.5	Confident	145 Å²	145	78.9 Å²	78.9	67%	0.671	41%	0.41	S	S	*	.	S	Bend	trans	-81.5	120.7	177.1	-63.6	88.1	0	0	0	110	D417	D417-H419 VanDerWaalsContact C-N 3.33Å; D417-H419 IonicContact OD1-CG 3.88Å; D417-H419 PolarHBondContact OD1-N 3.25Å; D417-H419 IonicContact OD1-ND1 3.6Å; D417-H419 PolarHBondContact OD1-ND1 2.84Å
420	P	91.2	Very high	87.7	Confident	49 Å²	49	78.9 Å²	78.9	32%	0.318	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-67.8	152.2	176.4	23.3	-29.2	0	0	0	111.9	F404 Y405 W406 L418	F404-P420 HydrophobicContact CB-CB 3.72Å; F404-P420 HydrophobicContact CB-CG 4.27Å; F404-P420 HydrophobicContact CD1-CB 3.88Å; F404-P420 HydrophobicContact CD1-CG 3.91Å; F404-P420 HydrophobicContact CG-CB 4.07Å; F404-P420 HydrophobicContact CG-CG 4.18Å; Y405-P420 WeakPolarHBondContact O-CA 3.21Å; W406-P420 HydrophobicContact CD2-CB 4.06Å; W406-P420 HydrophobicContact CE3-CB 4.43Å; W406-P420 HydrophobicContact CH2-CB 3.94Å; W406-P420 HydrophobicContact CH2-CG 4.25Å; W406-P420 HydrophobicContact CZ2-CB 3.55Å; W406-P420 HydrophobicContact CZ2-CG 3.67Å; W406-P420 HydrophobicContact CZ3-CB 4.35Å; L418-P420 WeakPolarHBondContact O-CD 3.39Å
421	R	92.8	Very high	87.8	Confident	144 Å²	144	80.1 Å²	80.1	54%	0.543	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	156.9	165.4	-68.6	-174.5	-179.8	-142.4	1.8	110.8	F404 Y405	F404-R421 CarbonylContact C-O 3.09Å; F404-R421 VanDerWaalsContact CA-O 3.25Å; F404-R421 WeakPolarHBondContact CA-O 3.32Å; Y405-R421 HydrophobicContact CD1-CB 3.94Å; Y405-R421 WeakPolarHBondContact CD1-O 3.49Å; Y405-R421 HydrophobicContact CD2-CB 4.43Å; Y405-R421 HydrophobicContact CE1-CB 3.37Å; Y405-R421 HydrophobicContact CE2-CB 3.94Å; Y405-R421 HydrophobicContact CG-CB 4.44Å; Y405-R421 PolarHBondContact N-O 2.98Å; Y405-R421 PolarHBondContact O-N 3.49Å; Y405-R421 WeakPolarHBondContact OH-CD 3.45Å
422	S	93.4	Very high	88.2	Confident	38 Å²	38	75.7 Å²	75.7	27%	0.266	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.8	-178.2	-178.2	0	0	0	0	111	H424 E425	S422-H424 PolarHBondContact O-N 3.39Å; S422-H424 VanDerWaalsContact O-N 3.14Å; S422-H424 WeakPolarHBondContact OG-CB 3.38Å; S422-H424 PolarHBondContact OG-N 2.93Å; S422-H424 PolarHBondContact OG-ND1 2.97Å; S422-E425 PolarHBondContact O-N 3.11Å
423	T	91.6	Very high	88.8	Confident	9 Å²	9	69.1 Å²	69.1	6%	0.055	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-67.4	-9.6	173.8	58	0	0	0	0	112.9	F400 S403 Y405 E425 W426	F400-T423 HydrophobicContact CD1-CG2 3.84Å; F400-T423 HydrophobicContact CE1-CG2 4.07Å; S403-T423 WeakPolarHBondContact CA-OG1 3.25Å; S403-T423 PolarHBondContact O-N 2.87Å; S403-T423 PolarHBondContact O-OG1 3.48Å; Y405-T423 HydrophobicContact CD1-CG2 4.1Å; T423-E425 PolarHBondContact O-N 3.1Å; T423-W426 WeakPolarHBondContact O-CA 3.18Å; T423-W426 VanDerWaalsContact O-CB 3.27Å; T423-W426 WeakPolarHBondContact O-CB 3.21Å; T423-W426 PolarHBondContact O-N 2.88Å
424	H	89.4	Confident	89.2	Confident	147 Å²	147	66.9 Å²	66.9	68%	0.681	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-64.6	-19.3	174.6	-64.4	77.1	0	0	0	113.2	S422 W426	S422-H424 PolarHBondContact O-N 3.39Å; S422-H424 VanDerWaalsContact O-N 3.14Å; S422-H424 WeakPolarHBondContact OG-CB 3.38Å; S422-H424 PolarHBondContact OG-N 2.93Å; S422-H424 PolarHBondContact OG-ND1 2.97Å; H424-W426 PolarHBondContact O-N 3.33Å
425	E	90	Very high	89.6	Confident	103 Å²	103	59.5 Å²	59.5	48%	0.481	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-64.1	-19.1	170.2	-64.8	174.7	-154.9	0	0	112	S422 T423	S422-E425 PolarHBondContact O-N 3.11Å; T423-E425 PolarHBondContact O-N 3.1Å
426	W	91.6	Very high	89.9	Confident	8 Å²	8	58.8 Å²	58.8	3%	0.03	33%	0.331	C	S	.	.	S	Bend	trans	-100.7	87.3	-178.4	-55.2	52.2	0	0	0	107.9	L387 W389 Y398 F400 Y405 T423 H424 G428 L429 F446 L455 L460	L387-W426 HydrophobicContact CD2-CH2 4Å; L387-W426 HydrophobicContact CD2-CZ3 3.99Å; W389-W426 HydrophobicContact CE3-CH2 4.45Å; W389-W426 HydrophobicContact CH2-CZ3 4.28Å; W389-W426 AromaticContact CZ3-CH2 4Å; W389-W426 HydrophobicContact CZ3-CH2 4Å; W389-W426 AromaticContact CZ3-CZ3 3.8Å; W389-W426 HydrophobicContact CZ3-CZ3 3.8Å; Y398-W426 HydrophobicContact CD2-CH2 4.15Å; Y398-W426 HydrophobicContact CD2-CZ2 4.45Å; Y398-W426 HydrophobicContact CE2-CH2 4.47Å; F400-W426 HydrophobicContact CE1-CH2 4.44Å; F400-W426 HydrophobicContact CE1-CZ2 4.27Å; F400-W426 AromaticContact CZ-CH2 3.77Å; F400-W426 HydrophobicContact CZ-CH2 3.77Å; F400-W426 AromaticContact CZ-CZ2 3.92Å; F400-W426 HydrophobicContact CZ-CZ2 3.92Å; F400-W426 HydrophobicContact CZ-CZ3 4.28Å; Y405-W426 AromaticContact CD1-NE1 3.92Å; Y405-W426 AromaticContact CE1-CD1 4Å; Y405-W426 HydrophobicContact CE1-CZ2 4.5Å; Y405-W426 AromaticContact CE1-NE1 3.22Å; Y405-W426 HydrophobicContact CE2-CZ2 4.3Å; Y405-W426 AromaticContact CZ-NE1 3.44Å; T423-W426 WeakPolarHBondContact O-CA 3.18Å; T423-W426 VanDerWaalsContact O-CB 3.27Å; T423-W426 WeakPolarHBondContact O-CB 3.21Å; T423-W426 PolarHBondContact O-N 2.88Å; H424-W426 PolarHBondContact O-N 3.33Å; W426-G428 PolarHBondContact O-N 3.16Å; W426-L429 HydrophobicContact CB-CB 4.49Å; W426-L429 HydrophobicContact CB-CD1 3.41Å; W426-L429 VanDerWaalsContact CB-CD1 3.41Å; W426-L429 HydrophobicContact CB-CG 3.79Å; W426-L429 HydrophobicContact CD2-CD1 4.06Å; W426-L429 HydrophobicContact CE3-CD1 3.88Å; W426-L429 HydrophobicContact CG-CD1 3.93Å; W426-L429 PolarHBondContact O-N 3.15Å; W426-F446 AromaticContact CE3-CE2 3.76Å; W426-F446 HydrophobicContact CE3-CE2 3.76Å; W426-F446 AromaticContact CE3-CZ 3.56Å; W426-F446 HydrophobicContact CE3-CZ 3.56Å; W426-F446 HydrophobicContact CH2-CZ 4.09Å; W426-F446 HydrophobicContact CZ3-CE1 4.4Å; W426-F446 AromaticContact CZ3-CE2 3.67Å; W426-F446 HydrophobicContact CZ3-CE2 3.67Å; W426-F446 AromaticContact CZ3-CZ 3.25Å; W426-F446 HydrophobicContact CZ3-CZ 3.25Å; W426-L455 HydrophobicContact CB-CD1 3.97Å; W426-L455 HydrophobicContact CE3-CD1 3.97Å; W426-L455 HydrophobicContact CE3-CD2 4.07Å; W426-L455 HydrophobicContact CZ3-CD2 4.34Å; W426-L460 CarbonylContact C-O 3.59Å
427	A	92.3	Very high	90.4	Very high	48 Å²	48	55.1 Å²	55.1	40%	0.397	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-61.6	120.9	-165.7	0	0	0	0	0	112.2	L460 K461 V462	A427-L460 PolarHBondContact N-O 2.8Å; A427-K461 HydrophobicContact CB-CB 4.33Å; A427-K461 HydrophobicContact CB-CG 4.07Å; A427-K461 WeakPolarHBondContact O-CA 3.3Å; A427-V462 PolarHBondContact O-N 3.19Å
428	G	90.1	Very high	91	Very high	54 Å²	54	53.2 Å²	53.2	56%	0.557	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	0.9	177	0	0	0	0	0	115.4	W426 V462	W426-G428 PolarHBondContact O-N 3.16Å; G428-V462 VanDerWaalsContact C-CG2 3.43Å; G428-V462 WeakPolarHBondContact O-CG2 3.32Å
429	L	92.8	Very high	91.4	Very high	28 Å²	28	49.2 Å²	49.2	15%	0.147	27%	0.273	C	S	.	.			trans	-68.2	149.3	172	-73.9	-169.8	0	0	0	112.2	W426 F446 W453 L455 V462	W426-L429 HydrophobicContact CB-CB 4.49Å; W426-L429 HydrophobicContact CB-CD1 3.41Å; W426-L429 VanDerWaalsContact CB-CD1 3.41Å; W426-L429 HydrophobicContact CB-CG 3.79Å; W426-L429 HydrophobicContact CD2-CD1 4.06Å; W426-L429 HydrophobicContact CE3-CD1 3.88Å; W426-L429 HydrophobicContact CG-CD1 3.93Å; W426-L429 PolarHBondContact O-N 3.15Å; L429-F446 HydrophobicContact CD1-CD1 4.23Å; L429-F446 HydrophobicContact CD1-CD2 4.09Å; L429-F446 HydrophobicContact CD1-CE1 4.14Å; L429-F446 HydrophobicContact CD1-CE2 3.99Å; L429-F446 HydrophobicContact CD1-CG 4.19Å; L429-F446 HydrophobicContact CD1-CZ 4.02Å; L429-F446 HydrophobicContact CD2-CB 3.89Å; L429-F446 HydrophobicContact CD2-CD1 4.44Å; L429-F446 HydrophobicContact CD2-CD2 3.44Å; L429-F446 VanDerWaalsContact CD2-CD2 3.44Å; L429-F446 HydrophobicContact CD2-CE2 4.07Å; L429-F446 HydrophobicContact CD2-CG 3.66Å; L429-F446 HydrophobicContact CG-CD2 4.44Å; L429-W453 HydrophobicContact CD2-CB 4.33Å; L429-L455 HydrophobicContact CD1-CD1 4.39Å; L429-L455 HydrophobicContact CD2-CD1 4.09Å; L429-L455 HydrophobicContact CG-CD1 4.04Å; L429-V462 HydrophobicContact CD2-CG2 3.9Å; L429-V462 HydrophobicContact CG-CG2 4.44Å
430	P	89.3	Confident	91.3	Very high	25 Å²	25	47.2 Å²	47.2	16%	0.162	28%	0.276	C	S	.	.			trans	-67	154.3	169.4	30.5	-34.7	0	0	0	110.6	H432 V433 W453	P430-H432 WeakPolarHBondContact CG-O 3.24Å; P430-H432 PolarHBondContact O-N 2.77Å; P430-H432 VanDerWaalsContact O-N 3.16Å; P430-V433 HydrophobicContact CG-CG1 3.95Å; P430-W453 HydrophobicContact CB-CH2 4.29Å; P430-W453 HydrophobicContact CB-CZ2 4.13Å; P430-W453 HydrophobicContact CG-CD2 4.02Å; P430-W453 HydrophobicContact CG-CE3 3.93Å; P430-W453 HydrophobicContact CG-CH2 4.17Å; P430-W453 HydrophobicContact CG-CZ2 4.18Å; P430-W453 HydrophobicContact CG-CZ3 4.05Å
431	G	83	Confident	91.1	Very high	48 Å²	48	52 Å²	52	50%	0.495	29%	0.289	S	S	.	.	S	Bend	trans	-66.8	-13.5	178.4	0	0	0	0	0	114.5	S402 S403	S402-G431 CarbonylContact C-O 3.56Å; S403-G431 PolarHBondContact N-O 2.9Å; S403-G431 PolarHBondContact OG-O 2.84Å
432	H	86.6	Confident	90.9	Very high	79 Å²	79	46.6 Å²	46.6	37%	0.366	28%	0.278	S	S	.	.			trans	-136.1	133.5	178.7	-177.5	-89.2	0	0	0	109.8	Q384 P430 D434 S448	Q384-H432 PolarHBondContact NE2-CD2 3.31Å; Q384-H432 PolarHBondContact NE2-NE2 2.93Å; P430-H432 WeakPolarHBondContact CG-O 3.24Å; P430-H432 PolarHBondContact O-N 2.77Å; P430-H432 VanDerWaalsContact O-N 3.16Å; H432-D434 IonicContact CE1-OD1 3.54Å; H432-D434 PolarHBondContact CE1-OD1 3.28Å; H432-D434 IonicContact ND1-OD1 3.59Å; H432-D434 PolarHBondContact ND1-OD1 2.86Å; H432-S448 WeakPolarHBondContact O-CB 3.36Å; H432-S448 PolarHBondContact O-OG 2.86Å
433	V	93.9	Very high	90.9	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.024	28%	0.279	C	S	.	.			trans	-127.5	136.5	177.2	-66.3	0	0	0	0	109.3	Q384 A385 F400 P430 F446 L447	Q384-V433 VanDerWaalsContact CB-O 3.23Å; Q384-V433 WeakPolarHBondContact CB-O 3.47Å; A385-V433 HydrophobicContact CB-CG2 4.16Å; F400-V433 HydrophobicContact CB-CG2 3.97Å; F400-V433 HydrophobicContact CD1-CG2 4.39Å; F400-V433 HydrophobicContact CG-CG2 4.29Å; P430-V433 HydrophobicContact CG-CG1 3.95Å; V433-F446 HydrophobicContact CB-CD1 4.33Å; V433-F446 HydrophobicContact CG1-CB 4.11Å; V433-F446 HydrophobicContact CG1-CD1 3.88Å; V433-F446 HydrophobicContact CG1-CG 4.4Å; V433-L447 CarbonylContact C-O 3.54Å; V433-L447 WeakPolarHBondContact CA-O 3.41Å
434	D	94.5	Very high	91	Very high	29 Å²	29	48 Å²	48	16%	0.155	28%	0.277	C	S	.	.	S	Bend	trans	-97.2	-20.5	-178.8	-53.7	-17.5	0	0	0	111.9	D295 Q384 H432 L447 S448 G449	D295-D434 VanDerWaalsContact O-O 3.08Å; Q384-D434 CarbonylContact O-C 2.79Å; H432-D434 IonicContact CE1-OD1 3.54Å; H432-D434 PolarHBondContact CE1-OD1 3.28Å; H432-D434 IonicContact ND1-OD1 3.59Å; H432-D434 PolarHBondContact ND1-OD1 2.86Å; D434-L447 PolarHBondContact N-O 3.21Å; D434-S448 WeakPolarHBondContact OD2-CA 3.37Å; D434-G449 PolarHBondContact OD2-N 2.77Å
435	A	96.6	Very high	91.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	160.8	176.8	0	0	0	0	0	110.4	V297 L447	V297-A435 HydrophobicContact CB-CB 3.74Å; V297-A435 HydrophobicContact CG2-CB 3.76Å; V297-A435 VanDerWaalsContact N-CB 3.31Å; A435-L447 HydrophobicContact CB-CB 4.2Å; A435-L447 HydrophobicContact CB-CD1 4.05Å; A435-L447 PolarHBondContact O-N 3.13Å
436	A	96.5	Very high	91.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	141.6	173.6	0	0	0	0	0	110.6	A385 A386 L387 N445 F446	A385-A436 HydrophobicContact CB-CB 3.87Å; A386-A436 VanDerWaalsContact O-O 3.05Å; L387-A436 HydrophobicContact CB-CB 3.98Å; L387-A436 HydrophobicContact CD1-CB 4.28Å; A436-N445 CarbonylContact C-O 3.31Å; A436-N445 WeakPolarHBondContact CA-O 3.46Å; A436-F446 HydrophobicContact CB-CD1 3.66Å; A436-F446 HydrophobicContact CB-CE1 3.63Å; A436-F446 HydrophobicContact CB-CG 4.44Å; A436-F446 HydrophobicContact CB-CZ 4.37Å
437	F	95.5	Very high	91.9	Very high	8 Å²	8	36 Å²	36	4%	0.035	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	155.7	172.4	71.1	-88.4	0	0	0	111.1	V297 M299 L304 D439 N445 L447 F474	V297-F437 HydrophobicContact CB-CD1 4.16Å; V297-F437 HydrophobicContact CG1-CD1 3.48Å; V297-F437 VanDerWaalsContact CG1-CD1 3.48Å; V297-F437 HydrophobicContact CG1-CE1 3.8Å; V297-F437 HydrophobicContact CG1-CG 4.25Å; M299-F437 HydrophobicContact CG-CB 4.46Å; M299-F437 HydrophobicContact CG-CD2 3.97Å; M299-F437 HydrophobicContact SD-CD2 4.4Å; L304-F437 HydrophobicContact CD1-CD1 3.93Å; L304-F437 HydrophobicContact CD1-CD2 3.61Å; L304-F437 HydrophobicContact CD1-CE1 3.94Å; L304-F437 HydrophobicContact CD1-CE2 3.65Å; L304-F437 HydrophobicContact CD1-CG 3.76Å; L304-F437 HydrophobicContact CD1-CZ 3.82Å; L304-F437 HydrophobicContact CD2-CE1 4.25Å; L304-F437 HydrophobicContact CD2-CE2 3.96Å; L304-F437 HydrophobicContact CD2-CZ 3.68Å; L304-F437 HydrophobicContact CG-CE2 4.49Å; L304-F437 HydrophobicContact CG-CZ 4.44Å; F437-D439 HydrophobicContact CE2-CB 4.08Å; F437-N445 HydrophobicContact CD1-CB 4.03Å; F437-N445 HydrophobicContact CD2-CB 4.43Å; F437-N445 HydrophobicContact CE1-CB 3.62Å; F437-N445 HydrophobicContact CE2-CB 4.04Å; F437-N445 HydrophobicContact CG-CB 4.43Å; F437-N445 HydrophobicContact CZ-CB 3.62Å; F437-N445 PolarHBondContact N-O 3.13Å; F437-N445 PolarHBondContact O-N 3.13Å; F437-L447 HydrophobicContact CD1-CD1 3.87Å; F437-L447 HydrophobicContact CE1-CD1 3.84Å; F437-F474 HydrophobicContact CE1-CZ 4.46Å; F437-F474 AromaticContact CZ-CE1 3.98Å; F437-F474 HydrophobicContact CZ-CE1 3.98Å; F437-F474 AromaticContact CZ-CZ 3.88Å; F437-F474 HydrophobicContact CZ-CZ 3.88Å
438	L	93.1	Very high	92.1	Very high	43 Å²	43	34.9 Å²	34.9	23%	0.225	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.6	172.8	-162.4	76	0	0	0	108.9	M299 L387 W389 G442 A444	M299-L438 WeakPolarHBondContact CG-O 3.15Å; L387-L438 HydrophobicContact CD1-CB 4.26Å; W389-L438 HydrophobicContact CE3-CD1 4.32Å; L438-G442 WeakPolarHBondContact CD1-O 3.35Å; L438-A444 HydrophobicContact CD1-CB 4.23Å
439	D	89.6	Confident	92.3	Very high	22 Å²	22	33.8 Å²	33.8	12%	0.118	20%	0.199	C	C	.	.			trans	-79.7	168.7	178.1	69.1	31.2	0	0	0	112.9	F437 Y441 G442 Y443 N445 K454	F437-D439 HydrophobicContact CE2-CB 4.08Å; D439-Y441 PolarHBondContact O-N 2.87Å; D439-Y441 VanDerWaalsContact OD1-CA 3.3Å; D439-Y441 WeakPolarHBondContact OD1-CA 3.41Å; D439-Y441 WeakPolarHBondContact OD1-CB 3.36Å; D439-Y441 PolarHBondContact OD1-N 2.93Å; D439-G442 PolarHBondContact O-N 3.08Å; D439-G442 PolarHBondContact OD1-N 2.93Å; D439-G442 VanDerWaalsContact OD1-N 3.08Å; D439-Y443 PolarHBondContact N-O 3.05Å; D439-Y443 PolarHBondContact OD1-N 2.91Å; D439-N445 WeakPolarHBondContact CB-ND2 3.49Å; D439-N445 PolarHBondContact OD2-ND2 3.25Å; D439-N445 VanDerWaalsContact OD2-ND2 3.13Å; D439-K454 IonicContact OD2-NZ 2.68Å; D439-K454 PolarHBondContact OD2-NZ 3.16Å
440	S	83.8	Confident	92.4	Very high	103 Å²	103	35.3 Å²	35.3	72%	0.72	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-12.7	178.7	61	0	0	0	0	114.3
441	Y	86.4	Confident	92.7	Very high	150 Å²	150	38.4 Å²	38.4	59%	0.588	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	2.1	176.4	-54.7	-76.7	0	0	0	112.1	D439	D439-Y441 PolarHBondContact O-N 2.87Å; D439-Y441 VanDerWaalsContact OD1-CA 3.3Å; D439-Y441 WeakPolarHBondContact OD1-CA 3.41Å; D439-Y441 WeakPolarHBondContact OD1-CB 3.36Å; D439-Y441 PolarHBondContact OD1-N 2.93Å
442	G	88.5	Confident	93.4	Very high	30 Å²	30	36.7 Å²	36.7	31%	0.309	20%	0.195	S	C	.	.	S	Bend	trans	84.4	9	178.4	0	0	0	0	0	114.6	L438 D439 P457	L438-G442 WeakPolarHBondContact CD1-O 3.35Å; D439-G442 PolarHBondContact O-N 3.08Å; D439-G442 PolarHBondContact OD1-N 2.93Å; D439-G442 VanDerWaalsContact OD1-N 3.08Å; G442-P457 VanDerWaalsContact O-CG 3.28Å; G442-P457 WeakPolarHBondContact O-CG 3.13Å
443	Y	93.2	Very high	93.9	Very high	78 Å²	78	34.7 Å²	34.7	31%	0.306	18%	0.184	S	C	.	.			trans	-90.1	142.3	176.7	-62.7	-94.2	0	0	0	111.4	D439 N445 K454 L463	D439-Y443 PolarHBondContact N-O 3.05Å; D439-Y443 PolarHBondContact OD1-N 2.91Å; Y443-N445 PolarHBondContact O-ND2 2.02Å; Y443-N445 VanDerWaalsContact O-ND2 3.13Å; Y443-K454 VanDerWaalsContact CB-CE 3.44Å; Y443-K454 HydrophobicContact CD1-CG 4.4Å; Y443-K454 VanDerWaalsContact CD2-CE 3.43Å; Y443-K454 HydrophobicContact CG-CD 4.39Å; Y443-K454 HydrophobicContact CG-CG 4.24Å; Y443-L463 HydrophobicContact CD1-CD1 3.91Å; Y443-L463 HydrophobicContact CE1-CD1 3.83Å; Y443-L463 HydrophobicContact CE1-CD2 4.4Å
444	A	95.3	Very high	94.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	127.3	174.3	0	0	0	0	0	109.9	L387 W389 L438 F446 L455	L387-A444 HydrophobicContact CD2-CB 4.05Å; W389-A444 HydrophobicContact CE3-CB 4.41Å; W389-A444 HydrophobicContact CH2-CB 4.08Å; W389-A444 HydrophobicContact CZ3-CB 3.5Å; W389-A444 VanDerWaalsContact CZ3-CB 3.5Å; L438-A444 HydrophobicContact CD1-CB 4.23Å; A444-F446 HydrophobicContact CB-CD2 4.45Å; A444-F446 HydrophobicContact CB-CE2 3.76Å; A444-L455 HydrophobicContact CB-CB 4.43Å; A444-L455 HydrophobicContact CB-CD2 4.18Å; A444-L455 PolarHBondContact N-O 2.68Å; A444-L455 VanDerWaalsContact N-O 3.16Å; A444-L455 PolarHBondContact O-N 2.79Å
445	N	96.6	Very high	94.1	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126	178.5	-65.6	-91.6	0	0	0	108.2	A436 F437 D439 Y443 Y452 W453	A436-N445 CarbonylContact C-O 3.31Å; A436-N445 WeakPolarHBondContact CA-O 3.46Å; F437-N445 HydrophobicContact CD1-CB 4.03Å; F437-N445 HydrophobicContact CD2-CB 4.43Å; F437-N445 HydrophobicContact CE1-CB 3.62Å; F437-N445 HydrophobicContact CE2-CB 4.04Å; F437-N445 HydrophobicContact CG-CB 4.43Å; F437-N445 HydrophobicContact CZ-CB 3.62Å; F437-N445 PolarHBondContact N-O 3.13Å; F437-N445 PolarHBondContact O-N 3.13Å; D439-N445 WeakPolarHBondContact CB-ND2 3.49Å; D439-N445 PolarHBondContact OD2-ND2 3.25Å; D439-N445 VanDerWaalsContact OD2-ND2 3.13Å; Y443-N445 PolarHBondContact O-ND2 2.02Å; Y443-N445 VanDerWaalsContact O-ND2 3.13Å; N445-Y452 HydrophobicContact CB-CD2 4.41Å; N445-Y452 WeakPolarHBondContact OD1-CE2 3.33Å; N445-W453 CarbonylContact C-O 3.51Å; N445-W453 WeakPolarHBondContact CA-O 3.05Å
446	F	96.8	Very high	94	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.3	178.8	-71.3	-88.6	0	0	0	109.5	L387 F400 W426 L429 V433 A436 A444 Y452 W453 L455	L387-F446 HydrophobicContact CD2-CE1 4.33Å; L387-F446 HydrophobicContact CD2-CE2 4.28Å; L387-F446 HydrophobicContact CD2-CZ 3.64Å; F400-F446 HydrophobicContact CD1-CE1 4.43Å; F400-F446 AromaticContact CE1-CE1 3.86Å; F400-F446 HydrophobicContact CE1-CE1 3.86Å; F400-F446 HydrophobicContact CE1-CZ 4.32Å; F400-F446 HydrophobicContact CE2-CE1 4.04Å; F400-F446 AromaticContact CZ-CE1 3.64Å; F400-F446 HydrophobicContact CZ-CE1 3.64Å; F400-F446 AromaticContact CZ-CZ 3.91Å; F400-F446 HydrophobicContact CZ-CZ 3.91Å; W426-F446 AromaticContact CE3-CE2 3.76Å; W426-F446 HydrophobicContact CE3-CE2 3.76Å; W426-F446 AromaticContact CE3-CZ 3.56Å; W426-F446 HydrophobicContact CE3-CZ 3.56Å; W426-F446 HydrophobicContact CH2-CZ 4.09Å; W426-F446 HydrophobicContact CZ3-CE1 4.4Å; W426-F446 AromaticContact CZ3-CE2 3.67Å; W426-F446 HydrophobicContact CZ3-CE2 3.67Å; W426-F446 AromaticContact CZ3-CZ 3.25Å; W426-F446 HydrophobicContact CZ3-CZ 3.25Å; L429-F446 HydrophobicContact CD1-CD1 4.23Å; L429-F446 HydrophobicContact CD1-CD2 4.09Å; L429-F446 HydrophobicContact CD1-CE1 4.14Å; L429-F446 HydrophobicContact CD1-CE2 3.99Å; L429-F446 HydrophobicContact CD1-CG 4.19Å; L429-F446 HydrophobicContact CD1-CZ 4.02Å; L429-F446 HydrophobicContact CD2-CB 3.89Å; L429-F446 HydrophobicContact CD2-CD1 4.44Å; L429-F446 HydrophobicContact CD2-CD2 3.44Å; L429-F446 VanDerWaalsContact CD2-CD2 3.44Å; L429-F446 HydrophobicContact CD2-CE2 4.07Å; L429-F446 HydrophobicContact CD2-CG 3.66Å; L429-F446 HydrophobicContact CG-CD2 4.44Å; V433-F446 HydrophobicContact CB-CD1 4.33Å; V433-F446 HydrophobicContact CG1-CB 4.11Å; V433-F446 HydrophobicContact CG1-CD1 3.88Å; V433-F446 HydrophobicContact CG1-CG 4.4Å; A436-F446 HydrophobicContact CB-CD1 3.66Å; A436-F446 HydrophobicContact CB-CE1 3.63Å; A436-F446 HydrophobicContact CB-CG 4.44Å; A436-F446 HydrophobicContact CB-CZ 4.37Å; A444-F446 HydrophobicContact CB-CD2 4.45Å; A444-F446 HydrophobicContact CB-CE2 3.76Å; F446-Y452 CarbonylContact O-C 3.49Å; F446-Y452 WeakPolarHBondContact O-CA 3.27Å; F446-Y452 WeakPolarHBondContact O-CB 3.49Å; F446-W453 PolarHBondContact N-O 3.08Å; F446-W453 PolarHBondContact O-N 2.89Å; F446-L455 HydrophobicContact CD2-CB 4.45Å; F446-L455 HydrophobicContact CE2-CB 4.4Å
447	L	96.7	Very high	93.6	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.7	-175.9	-63.4	84	0	0	0	109.4	V297 F306 V433 D434 A435 F437 Y451 I470	V297-L447 HydrophobicContact CB-CD1 4.33Å; V297-L447 HydrophobicContact CB-CD2 4.39Å; V297-L447 HydrophobicContact CG2-CD1 4.33Å; V297-L447 HydrophobicContact CG2-CD2 3.58Å; F306-L447 HydrophobicContact CD1-CD2 4.39Å; F306-L447 HydrophobicContact CE1-CD2 3.64Å; F306-L447 HydrophobicContact CZ-CD2 4.46Å; V433-L447 CarbonylContact C-O 3.54Å; V433-L447 WeakPolarHBondContact CA-O 3.41Å; D434-L447 PolarHBondContact N-O 3.21Å; A435-L447 HydrophobicContact CB-CB 4.2Å; A435-L447 HydrophobicContact CB-CD1 4.05Å; A435-L447 PolarHBondContact O-N 3.13Å; F437-L447 HydrophobicContact CD1-CD1 3.87Å; F437-L447 HydrophobicContact CE1-CD1 3.84Å; L447-Y451 WeakPolarHBondContact CA-O 3.28Å; L447-I470 HydrophobicContact CB-CD1 4.34Å; L447-I470 HydrophobicContact CD2-CD1 3.7Å; L447-I470 HydrophobicContact CD2-CG1 4.12Å; L447-I470 HydrophobicContact CG-CD1 4.28Å
448	S	95.6	Very high	93.2	Very high	24 Å²	24	44.2 Å²	44.2	17%	0.168	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	116.8	174.6	-163.2	0	0	0	0	108.7	H432 D434 L450 Y451 W453	H432-S448 WeakPolarHBondContact O-CB 3.36Å; H432-S448 PolarHBondContact O-OG 2.86Å; D434-S448 WeakPolarHBondContact OD2-CA 3.37Å; S448-L450 PolarHBondContact O-N 3.3Å; S448-Y451 PolarHBondContact N-O 3Å; S448-Y451 PolarHBondContact O-N 3.28Å; S448-Y451 VanDerWaalsContact O-N 3.15Å; S448-W453 VanDerWaalsContact CB-CZ3 3.46Å
449	G	94.3	Very high	93.1	Very high	30 Å²	30	45.2 Å²	45.2	31%	0.309	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	-122	-171.8	0	0	0	0	0	112.3	S293 D434 Y451	S293-G449 WeakPolarHBondContact CB-O 3.3Å; D434-G449 PolarHBondContact OD2-N 2.77Å; G449-Y451 VanDerWaalsContact C-N 3.33Å
450	L	94.9	Very high	93.2	Very high	60 Å²	60	47.3 Å²	47.3	31%	0.314	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	5.7	-179.7	-57.3	-179.3	0	0	0	113.3	T292 S448 I470	T292-L450 VanDerWaalsContact O-CD2 3.24Å; T292-L450 WeakPolarHBondContact O-CD2 3.32Å; S448-L450 PolarHBondContact O-N 3.3Å; L450-I470 PolarHBondContact O-N 3.23Å
451	Y	96.3	Very high	93.7	Very high	90 Å²	90	47.8 Å²	47.8	35%	0.353	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	155.5	-168.2	-65	-85.9	0	0	0	111.8	L447 S448 G449 P467 R468 R469	L447-Y451 WeakPolarHBondContact CA-O 3.28Å; S448-Y451 PolarHBondContact N-O 3Å; S448-Y451 PolarHBondContact O-N 3.28Å; S448-Y451 VanDerWaalsContact O-N 3.15Å; G449-Y451 VanDerWaalsContact C-N 3.33Å; Y451-P467 HydrophobicContact CD1-CB 4.22Å; Y451-P467 HydrophobicContact CG-CB 4.43Å; Y451-R468 CarbonylContact C-O 3.54Å; Y451-R468 VanDerWaalsContact CA-O 3.25Å; Y451-R468 WeakPolarHBondContact CA-O 3.48Å; Y451-R469 HydrophobicContact CD1-CG 4Å; Y451-R469 HydrophobicContact CE1-CG 3.62Å; Y451-R469 PolarHBondContact OH-NH2 2.87Å
452	Y	97.1	Very high	94.2	Very high	12 Å²	12	41.3 Å²	41.3	5%	0.047	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.4	171.1	81.2	-74.6	0	0	0	112	N445 F446 Y466 P467 R468 I470 D473 F474	N445-Y452 HydrophobicContact CB-CD2 4.41Å; N445-Y452 WeakPolarHBondContact OD1-CE2 3.33Å; F446-Y452 CarbonylContact O-C 3.49Å; F446-Y452 WeakPolarHBondContact O-CA 3.27Å; F446-Y452 WeakPolarHBondContact O-CB 3.49Å; Y452-Y466 HydrophobicContact CD2-CD1 4.49Å; Y452-Y466 HydrophobicContact CD2-CE1 4.15Å; Y452-Y466 HydrophobicContact CE1-CE1 4.38Å; Y452-Y466 HydrophobicContact CE2-CD1 4.21Å; Y452-Y466 AromaticContact CE2-CE1 3.47Å; Y452-Y466 HydrophobicContact CE2-CE1 3.47Å; Y452-Y466 VanDerWaalsContact CE2-CE1 3.47Å; Y452-Y466 AromaticContact CZ-CE1 3.59Å; Y452-Y466 WeakPolarHBondContact O-CD1 3.38Å; Y452-P467 VanDerWaalsContact O-CA 3.23Å; Y452-P467 WeakPolarHBondContact O-CA 3.48Å; Y452-R468 HydrophobicContact CD1-CB 4.17Å; Y452-R468 VanDerWaalsContact CD1-O 3.29Å; Y452-R468 WeakPolarHBondContact CD1-O 3.33Å; Y452-R468 HydrophobicContact CE1-CB 3.57Å; Y452-R468 PolarHBondContact N-O 2.86Å; Y452-R468 PolarHBondContact O-N 3.39Å; Y452-I470 HydrophobicContact CD1-CG1 4.17Å; Y452-D473 HydrophobicContact CE1-CB 4.02Å; Y452-D473 WeakPolarHBondContact CE1-OD2 2.99Å; Y452-D473 PolarHBondContact OH-OD2 2.96Å; Y452-F474 AromaticContact CD1-CE2 3.86Å; Y452-F474 HydrophobicContact CD1-CE2 3.86Å; Y452-F474 HydrophobicContact CD2-CE2 4.14Å; Y452-F474 HydrophobicContact CD2-CZ 4.42Å; Y452-F474 HydrophobicContact CE1-CD2 4.42Å; Y452-F474 AromaticContact CE1-CE2 3.71Å; Y452-F474 HydrophobicContact CE1-CE2 3.71Å; Y452-F474 AromaticContact CE2-CE2 3.99Å; Y452-F474 HydrophobicContact CE2-CE2 3.99Å; Y452-F474 HydrophobicContact CE2-CZ 4.14Å; Y452-F474 HydrophobicContact CG-CE2 4.07Å; Y452-F474 AromaticContact CZ-CE2 3.78Å
453	W	97.4	Very high	94.6	Very high	37 Å²	37	42.4 Å²	42.4	14%	0.14	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.9	178.1	-69	-111.7	0	0	0	108	L429 P430 N445 F446 S448 V462 P467	L429-W453 HydrophobicContact CD2-CB 4.33Å; P430-W453 HydrophobicContact CB-CH2 4.29Å; P430-W453 HydrophobicContact CB-CZ2 4.13Å; P430-W453 HydrophobicContact CG-CD2 4.02Å; P430-W453 HydrophobicContact CG-CE3 3.93Å; P430-W453 HydrophobicContact CG-CH2 4.17Å; P430-W453 HydrophobicContact CG-CZ2 4.18Å; P430-W453 HydrophobicContact CG-CZ3 4.05Å; N445-W453 CarbonylContact C-O 3.51Å; N445-W453 WeakPolarHBondContact CA-O 3.05Å; F446-W453 PolarHBondContact N-O 3.08Å; F446-W453 PolarHBondContact O-N 2.89Å; S448-W453 VanDerWaalsContact CB-CZ3 3.46Å; W453-V462 HydrophobicContact CB-CG1 4.32Å; W453-V462 HydrophobicContact CB-CG2 4.2Å; W453-P467 HydrophobicContact CD2-CB 3.84Å; W453-P467 HydrophobicContact CE3-CB 4.26Å; W453-P467 HydrophobicContact CG-CB 4.34Å; W453-P467 HydrophobicContact CH2-CB 4.06Å; W453-P467 HydrophobicContact CH2-CG 4.4Å; W453-P467 HydrophobicContact CZ2-CB 3.66Å; W453-P467 HydrophobicContact CZ2-CG 3.7Å; W453-P467 HydrophobicContact CZ3-CB 4.33Å
454	K	97	Very high	94.7	Very high	28 Å²	28	45.6 Å²	45.6	12%	0.122	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.3	174.4	-172.2	172.2	168.4	126.4	0	109.2	D439 Y443 V462 L463 Y466	D439-K454 IonicContact OD2-NZ 2.68Å; D439-K454 PolarHBondContact OD2-NZ 3.16Å; Y443-K454 VanDerWaalsContact CB-CE 3.44Å; Y443-K454 HydrophobicContact CD1-CG 4.4Å; Y443-K454 VanDerWaalsContact CD2-CE 3.43Å; Y443-K454 HydrophobicContact CG-CD 4.39Å; Y443-K454 HydrophobicContact CG-CG 4.24Å; K454-V462 WeakPolarHBondContact O-CA 3.36Å; K454-L463 HydrophobicContact CB-CD1 4.37Å; K454-L463 HydrophobicContact CD-CD1 3.98Å; K454-L463 HydrophobicContact CG-CD1 3.88Å; K454-L463 PolarHBondContact O-N 3.04Å; K454-Y466 HydrophobicContact CB-CD1 3.81Å; K454-Y466 HydrophobicContact CB-CD2 4Å; K454-Y466 HydrophobicContact CB-CE1 3.44Å; K454-Y466 VanDerWaalsContact CB-CE1 3.44Å; K454-Y466 HydrophobicContact CB-CE2 3.65Å; K454-Y466 HydrophobicContact CB-CG 4.08Å; K454-Y466 HydrophobicContact CD-CE1 4.44Å; K454-Y466 HydrophobicContact CD-CE2 4.21Å; K454-Y466 VanDerWaalsContact CD-OH 3.31Å; K454-Y466 WeakPolarHBondContact CD-OH 3.37Å; K454-Y466 HydrophobicContact CG-CE2 4.47Å
455	L	96	Very high	94.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.5	-173.3	178.1	139.6	0	0	0	110.5	W389 W426 L429 A444 F446 L460 V462	W389-L455 HydrophobicContact CH2-CD2 4.2Å; W426-L455 HydrophobicContact CB-CD1 3.97Å; W426-L455 HydrophobicContact CE3-CD1 3.97Å; W426-L455 HydrophobicContact CE3-CD2 4.07Å; W426-L455 HydrophobicContact CZ3-CD2 4.34Å; L429-L455 HydrophobicContact CD1-CD1 4.39Å; L429-L455 HydrophobicContact CD2-CD1 4.09Å; L429-L455 HydrophobicContact CG-CD1 4.04Å; A444-L455 HydrophobicContact CB-CB 4.43Å; A444-L455 HydrophobicContact CB-CD2 4.18Å; A444-L455 PolarHBondContact N-O 2.68Å; A444-L455 VanDerWaalsContact N-O 3.16Å; A444-L455 PolarHBondContact O-N 2.79Å; F446-L455 HydrophobicContact CD2-CB 4.45Å; F446-L455 HydrophobicContact CE2-CB 4.4Å; L455-L460 HydrophobicContact CD2-CD2 4.36Å; L455-V462 HydrophobicContact CB-CG2 4.48Å; L455-V462 HydrophobicContact CD1-CG2 4.31Å
456	D	93.2	Very high	94.6	Very high	45 Å²	45	50.9 Å²	50.9	24%	0.241	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	119.7	170.9	-175.5	-36.8	0	0	0	109.3	V458 A459 L460 K461 L463	D456-V458 VanDerWaalsContact C-N 3.25Å; D456-V458 PolarHBondContact O-N 3.33Å; D456-V458 WeakPolarHBondContact OD1-CA 3.25Å; D456-V458 WeakPolarHBondContact OD1-CB 3.29Å; D456-V458 PolarHBondContact OD1-N 3.33Å; D456-A459 HydrophobicContact CB-CB 4.07Å; D456-A459 PolarHBondContact OD1-N 3.09Å; D456-A459 VanDerWaalsContact OD1-N 3.12Å; D456-L460 VanDerWaalsContact O-CA 3.31Å; D456-L460 WeakPolarHBondContact O-CA 3.47Å; D456-L460 PolarHBondContact O-N 3.15Å; D456-K461 PolarHBondContact N-O 3Å; D456-L463 HydrophobicContact CB-CD2 3.99Å
457	P	87.9	Confident	94.6	Very high	37 Å²	37	53.9 Å²	53.9	24%	0.24	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-23.1	-176.7	32.1	-40.8	0	0	0	114	W389 G442	W389-P457 HydrophobicContact CH2-CB 3.45Å; W389-P457 VanDerWaalsContact CH2-CB 3.45Å; W389-P457 VanDerWaalsContact CZ2-CA 3.46Å; W389-P457 HydrophobicContact CZ2-CB 3.1Å; G442-P457 VanDerWaalsContact O-CG 3.28Å; G442-P457 WeakPolarHBondContact O-CG 3.13Å
458	V	87.4	Confident	94.5	Very high	133 Å²	133	58.9 Å²	58.9	81%	0.806	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-47.1	-178.2	-177.5	0	0	0	0	110.1	D456 L460	D456-V458 VanDerWaalsContact C-N 3.25Å; D456-V458 PolarHBondContact O-N 3.33Å; D456-V458 WeakPolarHBondContact OD1-CA 3.25Å; D456-V458 WeakPolarHBondContact OD1-CB 3.29Å; D456-V458 PolarHBondContact OD1-N 3.33Å; V458-L460 VanDerWaalsContact C-N 3.26Å; V458-L460 PolarHBondContact O-N 3.21Å
459	A	90.6	Very high	94.5	Very high	64 Å²	64	62.7 Å²	62.7	53%	0.529	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-13.2	179.4	0	0	0	0	0	113.2	D456 K461	D456-A459 HydrophobicContact CB-CB 4.07Å; D456-A459 PolarHBondContact OD1-N 3.09Å; D456-A459 VanDerWaalsContact OD1-N 3.12Å; A459-K461 HydrophobicContact CB-CB 4.3Å; A459-K461 PolarHBondContact O-N 2.99Å
460	L	92.2	Very high	94.5	Very high	67 Å²	67	61.4 Å²	61.4	35%	0.351	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	41.6	-171.6	-67.8	177.8	0	0	0	112.4	W389 W426 A427 L455 D456 V458	W389-L460 HydrophobicContact CH2-CD2 4.43Å; W426-L460 CarbonylContact C-O 3.59Å; A427-L460 PolarHBondContact N-O 2.8Å; L455-L460 HydrophobicContact CD2-CD2 4.36Å; D456-L460 VanDerWaalsContact O-CA 3.31Å; D456-L460 WeakPolarHBondContact O-CA 3.47Å; D456-L460 PolarHBondContact O-N 3.15Å; V458-L460 VanDerWaalsContact C-N 3.26Å; V458-L460 PolarHBondContact O-N 3.21Å
461	K	94.9	Very high	94.5	Very high	112 Å²	112	59 Å²	59	49%	0.487	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.2	-176.1	-171.3	-172.5	171.4	-166.1	0	110.5	A427 D456 A459	A427-K461 HydrophobicContact CB-CB 4.33Å; A427-K461 HydrophobicContact CB-CG 4.07Å; A427-K461 WeakPolarHBondContact O-CA 3.3Å; D456-K461 PolarHBondContact N-O 3Å; A459-K461 HydrophobicContact CB-CB 4.3Å; A459-K461 PolarHBondContact O-N 2.99Å
462	V	96.7	Very high	94.3	Very high	15 Å²	15	57.7 Å²	57.7	9%	0.091	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	134.8	170.1	173.3	0	0	0	0	110.3	A427 G428 L429 W453 K454 L455	A427-V462 PolarHBondContact O-N 3.19Å; G428-V462 VanDerWaalsContact C-CG2 3.43Å; G428-V462 WeakPolarHBondContact O-CG2 3.32Å; L429-V462 HydrophobicContact CD2-CG2 3.9Å; L429-V462 HydrophobicContact CG-CG2 4.44Å; W453-V462 HydrophobicContact CB-CG1 4.32Å; W453-V462 HydrophobicContact CB-CG2 4.2Å; K454-V462 WeakPolarHBondContact O-CA 3.36Å; L455-V462 HydrophobicContact CB-CG2 4.48Å; L455-V462 HydrophobicContact CD1-CG2 4.31Å
463	L	96.9	Very high	94.1	Very high	52 Å²	52	59.7 Å²	59.7	27%	0.272	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-68.4	148.1	177.8	-63	-179.7	0	0	0	111.4	Y443 K454 D456 Y466	Y443-L463 HydrophobicContact CD1-CD1 3.91Å; Y443-L463 HydrophobicContact CE1-CD1 3.83Å; Y443-L463 HydrophobicContact CE1-CD2 4.4Å; K454-L463 HydrophobicContact CB-CD1 4.37Å; K454-L463 HydrophobicContact CD-CD1 3.98Å; K454-L463 HydrophobicContact CG-CD1 3.88Å; K454-L463 PolarHBondContact O-N 3.04Å; D456-L463 HydrophobicContact CB-CD2 3.99Å; L463-Y466 HydrophobicContact CB-CD2 3.82Å; L463-Y466 HydrophobicContact CB-CE2 4.03Å; L463-Y466 HydrophobicContact CD1-CE2 4.43Å; L463-Y466 WeakPolarHBondContact O-CD2 3.48Å; L463-Y466 PolarHBondContact O-N 2.9Å
464	D	95	Very high	93.9	Very high	146 Å²	146	59.7 Å²	59.7	78%	0.781	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	142.7	173.6	-62.4	-33.6	0	0	0	110.6
465	G	93.5	Very high	93.7	Very high	63 Å²	63	59.6 Å²	59.6	65%	0.649	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	5.3	-176.4	0	0	0	0	0	115.2	R468	G465-R468 WeakPolarHBondContact O-CG 3.23Å
466	Y	95.9	Very high	93.4	Very high	51 Å²	51	62.8 Å²	62.8	20%	0.2	36%	0.359	C	S	.	.			trans	-107.6	150.8	171	-70.6	-90.1	0	0	0	111.2	Y452 K454 L463 R468	Y452-Y466 HydrophobicContact CD2-CD1 4.49Å; Y452-Y466 HydrophobicContact CD2-CE1 4.15Å; Y452-Y466 HydrophobicContact CE1-CE1 4.38Å; Y452-Y466 HydrophobicContact CE2-CD1 4.21Å; Y452-Y466 AromaticContact CE2-CE1 3.47Å; Y452-Y466 HydrophobicContact CE2-CE1 3.47Å; Y452-Y466 VanDerWaalsContact CE2-CE1 3.47Å; Y452-Y466 AromaticContact CZ-CE1 3.59Å; Y452-Y466 WeakPolarHBondContact O-CD1 3.38Å; K454-Y466 HydrophobicContact CB-CD1 3.81Å; K454-Y466 HydrophobicContact CB-CD2 4Å; K454-Y466 HydrophobicContact CB-CE1 3.44Å; K454-Y466 VanDerWaalsContact CB-CE1 3.44Å; K454-Y466 HydrophobicContact CB-CE2 3.65Å; K454-Y466 HydrophobicContact CB-CG 4.08Å; K454-Y466 HydrophobicContact CD-CE1 4.44Å; K454-Y466 HydrophobicContact CD-CE2 4.21Å; K454-Y466 VanDerWaalsContact CD-OH 3.31Å; K454-Y466 WeakPolarHBondContact CD-OH 3.37Å; K454-Y466 HydrophobicContact CG-CE2 4.47Å; L463-Y466 HydrophobicContact CB-CD2 3.82Å; L463-Y466 HydrophobicContact CB-CE2 4.03Å; L463-Y466 HydrophobicContact CD1-CE2 4.43Å; L463-Y466 WeakPolarHBondContact O-CD2 3.48Å; L463-Y466 PolarHBondContact O-N 2.9Å; Y466-R468 HydrophobicContact CD1-CB 4.27Å; Y466-R468 HydrophobicContact CD1-CG 3.91Å; Y466-R468 HydrophobicContact CE1-CB 4.26Å; Y466-R468 HydrophobicContact CE1-CG 3.92Å; Y466-R468 HydrophobicContact CG-CG 4.49Å
467	P	96.5	Very high	93.3	Very high	63 Å²	63	61.6 Å²	61.6	41%	0.409	35%	0.353	S	S	.	.			cis	-74.5	155.2	6.7	26.5	-32.2	0	0	0	115.5	Y451 Y452 W453	Y451-P467 HydrophobicContact CD1-CB 4.22Å; Y451-P467 HydrophobicContact CG-CB 4.43Å; Y452-P467 VanDerWaalsContact O-CA 3.23Å; Y452-P467 WeakPolarHBondContact O-CA 3.48Å; W453-P467 HydrophobicContact CD2-CB 3.84Å; W453-P467 HydrophobicContact CE3-CB 4.26Å; W453-P467 HydrophobicContact CG-CB 4.34Å; W453-P467 HydrophobicContact CH2-CB 4.06Å; W453-P467 HydrophobicContact CH2-CG 4.4Å; W453-P467 HydrophobicContact CZ2-CB 3.66Å; W453-P467 HydrophobicContact CZ2-CG 3.7Å; W453-P467 HydrophobicContact CZ3-CB 4.33Å
468	R	95.6	Very high	93.1	Very high	107 Å²	107	64.6 Å²	64.6	40%	0.404	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	161.3	171.3	-64.4	-178	70.6	-160.6	-3.5	110.9	Y451 Y452 G465 Y466 D473	Y451-R468 CarbonylContact C-O 3.54Å; Y451-R468 VanDerWaalsContact CA-O 3.25Å; Y451-R468 WeakPolarHBondContact CA-O 3.48Å; Y452-R468 HydrophobicContact CD1-CB 4.17Å; Y452-R468 VanDerWaalsContact CD1-O 3.29Å; Y452-R468 WeakPolarHBondContact CD1-O 3.33Å; Y452-R468 HydrophobicContact CE1-CB 3.57Å; Y452-R468 PolarHBondContact N-O 2.86Å; Y452-R468 PolarHBondContact O-N 3.39Å; G465-R468 WeakPolarHBondContact O-CG 3.23Å; Y466-R468 HydrophobicContact CD1-CB 4.27Å; Y466-R468 HydrophobicContact CD1-CG 3.91Å; Y466-R468 HydrophobicContact CE1-CB 4.26Å; Y466-R468 HydrophobicContact CE1-CG 3.92Å; Y466-R468 HydrophobicContact CG-CG 4.49Å; R468-D473 WeakPolarHBondContact CB-OD2 3.49Å; R468-D473 WeakPolarHBondContact CD-OD2 3.48Å; R468-D473 IonicContact CZ-OD1 3.3Å; R468-D473 VanDerWaalsContact CZ-OD1 3.3Å; R468-D473 IonicContact CZ-OD2 2.81Å; R468-D473 IonicContact NE-OD1 3.82Å; R468-D473 IonicContact NE-OD2 2.91Å; R468-D473 PolarHBondContact NE-OD2 3.08Å; R468-D473 IonicContact NH1-OD1 3.98Å; R468-D473 IonicContact NH1-OD2 3.24Å; R468-D473 PolarHBondContact NH1-OD2 3.12Å; R468-D473 IonicContact NH2-OD1 2.65Å; R468-D473 PolarHBondContact NH2-OD1 3.32Å; R468-D473 IonicContact NH2-OD2 3.1Å; R468-D473 PolarHBondContact NH2-OD2 3.22Å; R468-D473 VanDerWaalsContact NH2-OD2 3.1Å
469	R	95.1	Very high	92.2	Very high	105 Å²	105	65.5 Å²	65.5	40%	0.396	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	129.3	-178.5	-78.7	-173	172.9	-127.1	1.1	111.4	Y451 M472 D473	Y451-R469 HydrophobicContact CD1-CG 4Å; Y451-R469 HydrophobicContact CE1-CG 3.62Å; Y451-R469 PolarHBondContact OH-NH2 2.87Å; R469-M472 HydrophobicContact CB-CB 4.36Å; R469-M472 HydrophobicContact CB-CG 4.1Å; R469-M472 HydrophobicContact CB-SD 4.11Å; R469-M472 PolarHBondContact O-N 2.92Å; R469-D473 PolarHBondContact O-N 3.47Å
470	I	95.4	Very high	90.5	Very high	2 Å²	2	66.7 Å²	66.7	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-61.5	-48.7	-179.5	-62	159	0	0	0	110.8	F294 F306 L447 L450 Y452 M472 D473 F474 F475	F294-I470 HydrophobicContact CD2-CD1 4.33Å; F294-I470 HydrophobicContact CD2-CG2 4.16Å; F294-I470 HydrophobicContact CE2-CG2 3.63Å; F306-I470 HydrophobicContact CD1-CG2 4.43Å; F306-I470 HydrophobicContact CE1-CG2 3.63Å; F306-I470 HydrophobicContact CZ-CG2 4.16Å; L447-I470 HydrophobicContact CB-CD1 4.34Å; L447-I470 HydrophobicContact CD2-CD1 3.7Å; L447-I470 HydrophobicContact CD2-CG1 4.12Å; L447-I470 HydrophobicContact CG-CD1 4.28Å; L450-I470 PolarHBondContact O-N 3.23Å; Y452-I470 HydrophobicContact CD1-CG1 4.17Å; I470-M472 VanDerWaalsContact C-N 3.27Å; I470-M472 PolarHBondContact O-N 3.23Å; I470-D473 PolarHBondContact O-N 2.93Å; I470-F474 HydrophobicContact CB-CD2 4.48Å; I470-F474 HydrophobicContact CG2-CB 4.47Å; I470-F474 HydrophobicContact CG2-CD2 3.92Å; I470-F474 WeakPolarHBondContact O-CB 3.44Å; I470-F474 PolarHBondContact O-N 3.49Å; I470-F475 HydrophobicContact CG2-CD2 4.21Å; I470-F475 HydrophobicContact CG2-CE2 3.87Å
471	G	93.1	Very high	88.2	Confident	9 Å²	9	73.1 Å²	73.1	9%	0.093	42%	0.421	C	S	.	.	H	α-helix	trans	-54.7	-40.8	-179.1	0	0	0	0	0	113.4	F475 G476 C477	G471-F475 CarbonylContact O-C 3.59Å; G471-F475 VanDerWaalsContact O-C 3.31Å; G471-F475 WeakPolarHBondContact O-CA 3.31Å; G471-F475 WeakPolarHBondContact O-CB 3.46Å; G471-F475 PolarHBondContact O-N 3Å; G471-F475 VanDerWaalsContact O-N 3.15Å; G471-G476 PolarHBondContact O-N 3.47Å; G471-G476 VanDerWaalsContact O-N 3.09Å; G471-C477 VanDerWaalsContact C-SG 3.52Å; G471-C477 WeakPolarHBondContact O-CB 3.32Å; G471-C477 PolarHBondContact O-N 3.1Å; G471-C477 PolarHBondContact O-SG 2.65Å
472	M	92.8	Very high	87.9	Confident	64 Å²	64	71.2 Å²	71.2	32%	0.315	42%	0.417	S	S	.	.	H	α-helix	trans	-70.9	-47.7	-179	-65.8	179.6	67.4	0	0	111.9	R469 I470 G476 E479	R469-M472 HydrophobicContact CB-CB 4.36Å; R469-M472 HydrophobicContact CB-CG 4.1Å; R469-M472 HydrophobicContact CB-SD 4.11Å; R469-M472 PolarHBondContact O-N 2.92Å; I470-M472 VanDerWaalsContact C-N 3.27Å; I470-M472 PolarHBondContact O-N 3.23Å; M472-G476 PolarHBondContact O-N 3.46Å; M472-E479 HydrophobicContact CE-CG 3.3Å; M472-E479 HydrophobicContact SD-CG 3.77Å
473	D	92.8	Very high	87.4	Confident	53 Å²	53	74.1 Å²	74.1	28%	0.283	44%	0.435	S	S	.	.	H	α-helix	trans	-84.3	-29.1	-168.3	-69	-12.8	0	0	0	113.7	Y452 R468 R469 I470	Y452-D473 HydrophobicContact CE1-CB 4.02Å; Y452-D473 WeakPolarHBondContact CE1-OD2 2.99Å; Y452-D473 PolarHBondContact OH-OD2 2.96Å; R468-D473 WeakPolarHBondContact CB-OD2 3.49Å; R468-D473 WeakPolarHBondContact CD-OD2 3.48Å; R468-D473 IonicContact CZ-OD1 3.3Å; R468-D473 VanDerWaalsContact CZ-OD1 3.3Å; R468-D473 IonicContact CZ-OD2 2.81Å; R468-D473 IonicContact NE-OD1 3.82Å; R468-D473 IonicContact NE-OD2 2.91Å; R468-D473 PolarHBondContact NE-OD2 3.08Å; R468-D473 IonicContact NH1-OD1 3.98Å; R468-D473 IonicContact NH1-OD2 3.24Å; R468-D473 PolarHBondContact NH1-OD2 3.12Å; R468-D473 IonicContact NH2-OD1 2.65Å; R468-D473 PolarHBondContact NH2-OD1 3.32Å; R468-D473 IonicContact NH2-OD2 3.1Å; R468-D473 PolarHBondContact NH2-OD2 3.22Å; R468-D473 VanDerWaalsContact NH2-OD2 3.1Å; R469-D473 PolarHBondContact O-N 3.47Å; I470-D473 PolarHBondContact O-N 2.93Å
474	F	93.5	Very high	86.9	Confident	37 Å²	37	75.3 Å²	75.3	16%	0.162	44%	0.444	C	S	.	.	H	α-helix	trans	-104.4	-31.4	-178.5	-66.7	-82.5	0	0	0	113.1	L304 F306 I315 F437 Y452 I470	L304-F474 HydrophobicContact CD2-CD1 3.63Å; L304-F474 HydrophobicContact CD2-CE1 3.43Å; L304-F474 VanDerWaalsContact CD2-CE1 3.43Å; L304-F474 HydrophobicContact CD2-CZ 4.47Å; F306-F474 HydrophobicContact CE2-CB 4.25Å; F306-F474 AromaticContact CE2-CD1 3.92Å; F306-F474 HydrophobicContact CE2-CD1 3.92Å; F306-F474 HydrophobicContact CE2-CG 4.09Å; F306-F474 HydrophobicContact CZ-CB 4.07Å; F306-F474 AromaticContact CZ-CD1 3.78Å; F306-F474 HydrophobicContact CZ-CD1 3.78Å; F306-F474 AromaticContact CZ-CD2 3.99Å; F306-F474 HydrophobicContact CZ-CD2 3.99Å; F306-F474 HydrophobicContact CZ-CE1 4.2Å; F306-F474 HydrophobicContact CZ-CE2 4.37Å; F306-F474 AromaticContact CZ-CG 3.67Å; F306-F474 HydrophobicContact CZ-CG 3.67Å; F306-F474 HydrophobicContact CZ-CZ 4.47Å; I315-F474 HydrophobicContact CD1-CB 3.78Å; I315-F474 HydrophobicContact CD1-CD1 4.33Å; I315-F474 WeakPolarHBondContact CD1-O 3.31Å; F437-F474 HydrophobicContact CE1-CZ 4.46Å; F437-F474 AromaticContact CZ-CE1 3.98Å; F437-F474 HydrophobicContact CZ-CE1 3.98Å; F437-F474 AromaticContact CZ-CZ 3.88Å; F437-F474 HydrophobicContact CZ-CZ 3.88Å; Y452-F474 AromaticContact CD1-CE2 3.86Å; Y452-F474 HydrophobicContact CD1-CE2 3.86Å; Y452-F474 HydrophobicContact CD2-CE2 4.14Å; Y452-F474 HydrophobicContact CD2-CZ 4.42Å; Y452-F474 HydrophobicContact CE1-CD2 4.42Å; Y452-F474 AromaticContact CE1-CE2 3.71Å; Y452-F474 HydrophobicContact CE1-CE2 3.71Å; Y452-F474 AromaticContact CE2-CE2 3.99Å; Y452-F474 HydrophobicContact CE2-CE2 3.99Å; Y452-F474 HydrophobicContact CE2-CZ 4.14Å; Y452-F474 HydrophobicContact CG-CE2 4.07Å; Y452-F474 AromaticContact CZ-CE2 3.78Å; I470-F474 HydrophobicContact CB-CD2 4.48Å; I470-F474 HydrophobicContact CG2-CB 4.47Å; I470-F474 HydrophobicContact CG2-CD2 3.92Å; I470-F474 WeakPolarHBondContact O-CB 3.44Å; I470-F474 PolarHBondContact O-N 3.49Å
475	F	93.4	Very high	86.4	Confident	27 Å²	27	71.2 Å²	71.2	12%	0.118	42%	0.424	C	S	.	.	H	α-helix	trans	-114.8	-0.2	-172.6	-59.9	-80.6	0	0	0	114	A289 F294 F306 W313 I315 L320 I470 G471 C477	A289-F475 HydrophobicContact CB-CB 4.24Å; A289-F475 HydrophobicContact CB-CD1 3.54Å; A289-F475 HydrophobicContact CB-CD2 4.06Å; A289-F475 HydrophobicContact CB-CE1 3.78Å; A289-F475 HydrophobicContact CB-CE2 4.28Å; A289-F475 HydrophobicContact CB-CG 3.67Å; A289-F475 HydrophobicContact CB-CZ 4.15Å; F294-F475 HydrophobicContact CE1-CE2 4.28Å; F294-F475 HydrophobicContact CE1-CZ 4.04Å; F294-F475 AromaticContact CE2-CE2 3.84Å; F294-F475 HydrophobicContact CE2-CE2 3.84Å; F294-F475 HydrophobicContact CE2-CZ 4.4Å; F294-F475 HydrophobicContact CZ-CD2 4.34Å; F294-F475 AromaticContact CZ-CE2 3.4Å; F294-F475 HydrophobicContact CZ-CE2 3.4Å; F294-F475 AromaticContact CZ-CZ 3.6Å; F294-F475 HydrophobicContact CZ-CZ 3.6Å; F306-F475 HydrophobicContact CB-CZ 4.09Å; F306-F475 HydrophobicContact CD1-CE2 4.18Å; F306-F475 HydrophobicContact CD1-CZ 4.14Å; F306-F475 HydrophobicContact CD2-CE2 4.41Å; F306-F475 AromaticContact CD2-CZ 3.88Å; F306-F475 HydrophobicContact CD2-CZ 3.88Å; F306-F475 HydrophobicContact CE1-CE2 4.24Å; F306-F475 HydrophobicContact CE2-CE2 4.46Å; F306-F475 HydrophobicContact CE2-CZ 4.31Å; F306-F475 HydrophobicContact CG-CE2 4.26Å; F306-F475 AromaticContact CG-CZ 3.79Å; F306-F475 HydrophobicContact CG-CZ 3.79Å; F306-F475 HydrophobicContact CZ-CE2 4.39Å; W313-F475 HydrophobicContact CB-CE1 3.74Å; W313-F475 HydrophobicContact CB-CZ 4.22Å; W313-F475 AromaticContact CD1-CE1 3.75Å; W313-F475 HydrophobicContact CD2-CE1 4.38Å; W313-F475 AromaticContact CG-CE1 3.7Å; W313-F475 HydrophobicContact CG-CE1 3.7Å; W313-F475 HydrophobicContact CG-CZ 4.27Å; I315-F475 HydrophobicContact CD1-CD1 4.39Å; I315-F475 HydrophobicContact CD1-CE1 3.99Å; I315-F475 HydrophobicContact CD1-CZ 4.13Å; L320-F475 HydrophobicContact CD1-CD1 4.32Å; L320-F475 HydrophobicContact CD1-CE1 4.21Å; L320-F475 HydrophobicContact CD2-CD1 4.31Å; I470-F475 HydrophobicContact CG2-CD2 4.21Å; I470-F475 HydrophobicContact CG2-CE2 3.87Å; G471-F475 CarbonylContact O-C 3.59Å; G471-F475 VanDerWaalsContact O-C 3.31Å; G471-F475 WeakPolarHBondContact O-CA 3.31Å; G471-F475 WeakPolarHBondContact O-CB 3.46Å; G471-F475 PolarHBondContact O-N 3Å; G471-F475 VanDerWaalsContact O-N 3.15Å; F475-C477 PolarHBondContact O-N 3.24Å
476	G	89.2	Confident	86	Confident	67 Å²	67	71.7 Å²	71.7	69%	0.691	41%	0.41	S	S	*	.			trans	67.3	23.2	175.9	0	0	0	0	0	113.9	G471 M472	G471-G476 PolarHBondContact O-N 3.47Å; G471-G476 VanDerWaalsContact O-N 3.09Å; M472-G476 PolarHBondContact O-N 3.46Å
477	C	90.8	Very high	85.3	Confident	19 Å²	19	73.1 Å²	73.1	13%	0.128	42%	0.424	C	S	.	.			trans	-66.5	142.7	179.3	-53	0	0	0	0	110.7	C290 G471 F475	C290-C477 WeakPolarHBondContact CA-SG 3.34Å; C290-C477 HydrophobicContact CB-CB 3.76Å; C290-C477 WeakPolarHBondContact CB-SG 3.46Å; C290-C477 WeakPolarHBondContact SG-CB 3.47Å; C290-C477 CovalentContact SG-SG 2.02Å; C290-C477 PolarHBondContact SG-SG 2.91Å; G471-C477 VanDerWaalsContact C-SG 3.52Å; G471-C477 WeakPolarHBondContact O-CB 3.32Å; G471-C477 PolarHBondContact O-N 3.1Å; G471-C477 PolarHBondContact O-SG 2.65Å; F475-C477 PolarHBondContact O-N 3.24Å
478	S	84.2	Confident	84.5	Confident	101 Å²	101	73.8 Å²	73.8	71%	0.706	43%	0.425	S	S	*	.			trans	-68.5	150.8	170.8	50.9	0	0	0	0	110.7	S480	S478-S480 PolarHBondContact O-N 2.99Å
479	E	68.1	Low	83.6	Confident	152 Å²	152	71.2 Å²	71.2	71%	0.71	43%	0.426	S	S	*	.			trans	-55.5	114.9	161.2	-72.8	-169.2	153.2	0	0	107.6	M472	M472-E479 HydrophobicContact CE-CG 3.3Å; M472-E479 HydrophobicContact SD-CG 3.77Å
480	S	55.7	Low	82.7	Confident	89 Å²	89	68.4 Å²	68.4	62%	0.622	43%	0.429	S	S	*	.			trans	-62.5	131.7	165.8	-20.6	0	0	0	0	106.4	S478	S478-S480 PolarHBondContact O-N 2.99Å
481	P	43.2	Very low	81.5	Confident	201 Å²	201	74.5 Å²	74.5	100%	1.305	47%	0.467	S	S	*	.			trans	-60.8	0	176.6	24.5	-32.2	0	0	0	113

Retrieved 481 of 481 residues in 627.9 ms (Link to these results)

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